A0A5K4F892_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F892, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 935 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low75.6Confident198 Ų198121.8 Ų121.898%0.97562%0.622SS**  0-73.90-131.3169.2-172.700113.1I3 V4 C5M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.3Å; M1-I3 VanDerWaalsContact O-N 3.1Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.46Å; M1-V4 PolarHBondContact O-N 3.06Å; M1-C5 PolarHBondContact O-N 3.29Å
2K68.1Low75.7Confident192 Ų192118 Ų11884%0.83561%0.609SS**Hα-helixtrans-45.8-46.5-174-69.5-174.7177.3-178.50115.4V4 C5 S6K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 2.9Å; K2-C5 PolarHBondContact O-N 2.89Å; K2-S6 PolarHBondContact O-N 3.34Å
3I78.7Confident75.4Confident130 Ų130116.1 Ų116.167%0.66760%0.599SS**Hα-helixtrans-58.7-43.2177.4-64170.7000111.8M1 S6 I7M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.3Å; M1-I3 VanDerWaalsContact O-N 3.1Å; I3-S6 WeakPolarHBondContact O-CB 3.23Å; I3-S6 PolarHBondContact O-N 3.28Å; I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.5Å; I3-I7 WeakPolarHBondContact O-CG1 3.3Å; I3-I7 PolarHBondContact O-N 3.11Å
4V79.9Confident74.9Confident88 Ų88112.6 Ų112.653%0.53359%0.59SS.*Hα-helixtrans-64.8-43.3179.6-175.10000110.8M1 K2 S6 I7 L8M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.46Å; M1-V4 PolarHBondContact O-N 3.06Å; K2-V4 VanDerWaalsContact C-N 3.34Å; K2-V4 PolarHBondContact O-N 2.9Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.18Å; V4-I7 PolarHBondContact O-N 3.41Å; V4-L8 HydrophobicContact CG1-CD1 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.39Å; V4-L8 PolarHBondContact O-N 3.44Å
5C74.3Confident74.3Confident75 Ų75111.5 Ų111.551%0.50759%0.59SS.*Hα-helixtrans-61.6-38.9173.5-590000111.9M1 K2 L8 F9M1-C5 PolarHBondContact O-N 3.29Å; K2-C5 PolarHBondContact O-N 2.89Å; C5-L8 PolarHBondContact O-N 3.04Å; C5-F9 WeakPolarHBondContact O-CB 3.49Å; C5-F9 PolarHBondContact O-N 2.87Å
6S76.7Confident73.4Confident69 Ų69115.7 Ų115.748%0.48360%0.601SS.*Hα-helixtrans-67.3-39.2178.2-159.40000112.4K2 I3 V4 F9 L10K2-S6 PolarHBondContact O-N 3.34Å; I3-S6 WeakPolarHBondContact O-CB 3.23Å; I3-S6 PolarHBondContact O-N 3.28Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.18Å; S6-F9 PolarHBondContact O-N 3.47Å; S6-L10 WeakPolarHBondContact O-CB 3.46Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.4Å; S6-L10 PolarHBondContact O-N 3.38Å
7I82Confident72Confident108 Ų108111.8 Ų111.855%0.55460%0.596SS**Hα-helixtrans-66.2-44.7174.6-67.5166.2000110.3I3 V4 F9 L10 F11I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.5Å; I3-I7 WeakPolarHBondContact O-CG1 3.3Å; I3-I7 PolarHBondContact O-N 3.11Å; V4-I7 PolarHBondContact O-N 3.41Å; I7-F9 PolarHBondContact O-N 2.93Å; I7-L10 PolarHBondContact O-N 3.22Å; I7-F11 WeakPolarHBondContact O-CB 3.39Å; I7-F11 PolarHBondContact O-N 3.35Å
8L79Confident70.6Confident107 Ų107110.6 Ų110.656%0.5659%0.593SS**Hα-helixtrans-60.7-41.9174.7-103.2156.7000112.5V4 C5 F11 V12V4-L8 HydrophobicContact CG1-CD1 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.39Å; V4-L8 PolarHBondContact O-N 3.44Å; C5-L8 PolarHBondContact O-N 3.04Å; L8-F11 PolarHBondContact O-N 2.97Å; L8-V12 WeakPolarHBondContact O-CG2 3.48Å; L8-V12 PolarHBondContact O-N 3.47Å
9F78.1Confident69Low139 Ų139112.5 Ų112.561%0.6160%0.604SS**Hα-helixtrans-67.5-41.2178.7-161.6-104.1000111.7C5 S6 I7 F11 V12 L13C5-F9 WeakPolarHBondContact O-CB 3.49Å; C5-F9 PolarHBondContact O-N 2.87Å; S6-F9 PolarHBondContact O-N 3.47Å; I7-F9 PolarHBondContact O-N 2.93Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-V12 PolarHBondContact O-N 3.23Å; F9-L13 HydrophobicContact CD1-CD1 3.7Å; F9-L13 HydrophobicContact CD1-CG 4.28Å; F9-L13 HydrophobicContact CE1-CD1 3.59Å; F9-L13 HydrophobicContact CE1-CG 4.2Å; F9-L13 HydrophobicContact CZ-CD1 4.49Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 WeakPolarHBondContact O-CG 3.18Å; F9-L13 PolarHBondContact O-N 2.97Å
10L79.2Confident67.4Low111 Ų111116.6 Ų116.658%0.58162%0.616SS**Hα-helixtrans-64.4-35.7171.6-73.1169.8000112.3S6 I7 S14S6-L10 WeakPolarHBondContact O-CB 3.46Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.4Å; S6-L10 PolarHBondContact O-N 3.38Å; I7-L10 PolarHBondContact O-N 3.22Å; L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 2.92Å
11F76.8Confident66Low123 Ų123116.2 Ų116.254%0.53962%0.621SS.*Hα-helixtrans-67.7-45.3175.6-162.6-92.4000111.7I7 L8 F9 L13 S14 V15I7-F11 WeakPolarHBondContact O-CB 3.39Å; I7-F11 PolarHBondContact O-N 3.35Å; L8-F11 PolarHBondContact O-N 2.97Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F11-L13 PolarHBondContact O-N 3.11Å; F11-S14 WeakPolarHBondContact O-CB 3.41Å; F11-S14 PolarHBondContact O-N 3.14Å; F11-S14 VanDerWaalsContact O-N 3.16Å; F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.98Å; F11-V15 WeakPolarHBondContact O-CG2 3.47Å; F11-V15 PolarHBondContact O-N 3.46Å
12V76.3Confident64.7Low76 Ų76113.9 Ų113.946%0.46161%0.605SS.*Hα-helixtrans-64-39.8175.2171.40000111.7L8 F9 S14 V15 K16L8-V12 WeakPolarHBondContact O-CG2 3.48Å; L8-V12 PolarHBondContact O-N 3.47Å; F9-V12 PolarHBondContact O-N 3.23Å; V12-S14 VanDerWaalsContact C-N 3.35Å; V12-V15 PolarHBondContact O-N 2.87Å; V12-K16 PolarHBondContact O-N 3.15Å
13L72.3Confident63.2Low93 Ų93111.8 Ų111.849%0.48760%0.602SS.*Hα-helixtrans-67.7-33.3172.4-75.1177.4000112.4F9 F11 G17F9-L13 HydrophobicContact CD1-CD1 3.7Å; F9-L13 HydrophobicContact CD1-CG 4.28Å; F9-L13 HydrophobicContact CE1-CD1 3.59Å; F9-L13 HydrophobicContact CE1-CG 4.2Å; F9-L13 HydrophobicContact CZ-CD1 4.49Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 WeakPolarHBondContact O-CG 3.18Å; F9-L13 PolarHBondContact O-N 2.97Å; F11-L13 PolarHBondContact O-N 3.11Å; L13-G17 VanDerWaalsContact O-CA 3.22Å; L13-G17 WeakPolarHBondContact O-CA 3.1Å; L13-G17 PolarHBondContact O-N 2.99Å
14S68.2Low61.1Low68 Ų68114.3 Ų114.348%0.47661%0.608SS.*Hα-helixtrans-67.7-42.8173.6-165.80000111L10 F11 V12 K16 G17 T18L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 2.92Å; F11-S14 WeakPolarHBondContact O-CB 3.41Å; F11-S14 PolarHBondContact O-N 3.14Å; F11-S14 VanDerWaalsContact O-N 3.16Å; V12-S14 VanDerWaalsContact C-N 3.35Å; S14-K16 VanDerWaalsContact C-N 3.32Å; S14-K16 PolarHBondContact O-N 3.42Å; S14-G17 PolarHBondContact O-N 3.49Å; S14-T18 WeakPolarHBondContact O-CG2 3.44Å; S14-T18 PolarHBondContact O-N 3.07Å; S14-T18 PolarHBondContact O-OG1 3.02Å; S14-T18 VanDerWaalsContact O-OG1 3.11Å
15V66.3Low59Low95 Ų95114.4 Ų114.458%0.57661%0.613SS**Hα-helixtrans-68.2-28.5177.6172.50000112.5F11 V12 T18F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 3.98Å; F11-V15 WeakPolarHBondContact O-CG2 3.47Å; F11-V15 PolarHBondContact O-N 3.46Å; V12-V15 PolarHBondContact O-N 2.87Å; V15-T18 PolarHBondContact O-OG1 3.46Å
16K59.5Low57.1Low179 Ų179118.5 Ų118.578%0.77863%0.625SS**Hα-helixtrans-90.2-11.9171.3-76.5-169.2169.8-171.30114.7V12 S14V12-K16 PolarHBondContact O-N 3.15Å; S14-K16 VanDerWaalsContact C-N 3.32Å; S14-K16 PolarHBondContact O-N 3.42Å
17G49.4Very low55.1Low50 Ų50122.8 Ų122.852%0.51564%0.637SS.*Hα-helixtrans-115.6-13.1-170.300000114.1L13 S14 N19L13-G17 VanDerWaalsContact O-CA 3.22Å; L13-G17 WeakPolarHBondContact O-CA 3.1Å; L13-G17 PolarHBondContact O-N 2.99Å; S14-G17 PolarHBondContact O-N 3.49Å; G17-N19 PolarHBondContact O-N 2.87Å
18T47.1Very low52.9Low89 Ų89125.7 Ų125.755%0.54664%0.642SS.*SBendtrans-58109.4152.343.70000107S14 V15 F20S14-T18 WeakPolarHBondContact O-CG2 3.44Å; S14-T18 PolarHBondContact O-N 3.07Å; S14-T18 PolarHBondContact O-OG1 3.02Å; S14-T18 VanDerWaalsContact O-OG1 3.11Å; V15-T18 PolarHBondContact O-OG1 3.46Å; T18-F20 PolarHBondContact O-N 2.64Å
19N40.3Very low50.8Low147 Ų147126 Ų12679%0.78664%0.641SS**  trans-41.2136.6169.8-60.7-81.2000109G17 P21G17-N19 PolarHBondContact O-N 2.87Å; N19-P21 VanDerWaalsContact O-CD 3.24Å; N19-P21 WeakPolarHBondContact O-CD 3.47Å
20F37Very low48.9Very low194 Ų194127 Ų12785%0.85165%0.653SS**  trans-47.9117.3164.5-76.1-94.7000107T18 K22T18-F20 PolarHBondContact O-N 2.64Å; F20-K22 PolarHBondContact O-N 3.48Å
21P37.2Very low47.3Very low110 Ų110124.7 Ų124.771%0.71464%0.643SS**  trans-55.5142.2160.826.9-32.3000105.6N19 L23N19-P21 VanDerWaalsContact O-CD 3.24Å; N19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-L23 PolarHBondContact O-N 3.1Å
22K32.5Very low45.7Very low149 Ų149122.9 Ų122.965%0.64864%0.643SS**  trans-44.1135.2165.5-82.3-168.7168.8-166.10107.1F20 K24 T72F20-K22 PolarHBondContact O-N 3.48Å; K22-K24 PolarHBondContact O-N 3.1Å; K22-T72 PolarHBondContact NZ-O 3.2Å
23L36.6Very low44Very low147 Ų147128.1 Ų128.177%0.7766%0.655SS**  trans-67.967169.8-89.8151000108.7P21 S25P21-L23 PolarHBondContact O-N 3.1Å; L23-S25 PolarHBondContact O-N 3.28Å
24K33.8Very low42.6Very low183 Ų183127 Ų12780%0.79665%0.653SS**  trans-57.6110.6167.2-176.8-168.3-176.8-163.30104.7K22 Q26K22-K24 PolarHBondContact O-N 3.1Å; K24-Q26 PolarHBondContact O-N 3.26Å; K24-Q26 VanDerWaalsContact O-N 3.08Å
25S35.9Very low41.3Very low91 Ų91128.7 Ų128.764%0.63666%0.657SS**  trans-12.8101.5-176.7-174.70000112.2L23 E27L23-S25 PolarHBondContact O-N 3.28Å; S25-E27 PolarHBondContact O-N 3.04Å
26Q34.3Very low40.2Very low161 Ų161129.6 Ų129.675%0.75267%0.668SS**  trans-69.3106.4178.7-174.3172.14.100106.5K24 Y28K24-Q26 PolarHBondContact O-N 3.26Å; K24-Q26 VanDerWaalsContact O-N 3.08Å; Q26-Y28 PolarHBondContact O-N 3.13Å
27E34.4Very low39.8Very low159 Ų159122.7 Ų122.774%0.74364%0.639SS**  trans-41105.1-156.8-150.9157173.500112.8S25 E29S25-E27 PolarHBondContact O-N 3.04Å; E27-E29 HydrophobicContact CG-CB 4.49Å; E27-E29 PolarHBondContact O-N 2.93Å
28Y37.7Very low40.2Very low168 Ų168121.5 Ų121.566%0.65962%0.621SS**  trans-72.744.6179.1-95.4-72.1000111.3Q26 N30 V31Q26-Y28 PolarHBondContact O-N 3.13Å; Y28-N30 PolarHBondContact O-N 3.24Å; Y28-V31 HydrophobicContact CD1-CG2 3.67Å; Y28-V31 HydrophobicContact CE1-CG2 4.44Å; Y28-V31 HydrophobicContact CG-CG2 4.1Å; Y28-V31 PolarHBondContact O-N 3Å
29E34.6Very low41.3Very low113 Ų113121.8 Ų121.853%0.52862%0.619SS.*THydrogen-bonded Turntrans-711-178.4-136.8-170.8175.600113.7E27 R33E27-E29 HydrophobicContact CG-CB 4.49Å; E27-E29 PolarHBondContact O-N 2.93Å; E29-R33 IonicContact OE1-CZ 2.97Å; E29-R33 IonicContact OE1-NH2 3.51Å; E29-R33 PolarHBondContact OE1-NH2 3.18Å
30N37.6Very low43.3Very low162 Ų162115.1 Ų115.187%0.86658%0.583SS**THydrogen-bonded Turntrans-109.88168.3-70.2-70000113.7Y28Y28-N30 PolarHBondContact O-N 3.24Å
31V45.9Very low45.6Very low62 Ų62110 Ų11038%0.37656%0.558SS.*SBendtrans-71130.7150.3174.10000105.9Y28 R33Y28-V31 HydrophobicContact CD1-CG2 3.67Å; Y28-V31 HydrophobicContact CE1-CG2 4.44Å; Y28-V31 HydrophobicContact CG-CG2 4.1Å; Y28-V31 PolarHBondContact O-N 3Å; V31-R33 PolarHBondContact O-N 3.33Å
32P43Very low48.1Very low84 Ų84104.7 Ų104.755%0.54552%0.524SS..  trans-54.9112.5173.2-2434000109.1
33R40.8Very low50.5Low186 Ų18699.6 Ų99.670%0.70250%0.504SS*.  trans-50.9133.1174.8-66.6-174.6-178.4-154.53.3107.3E29 V31 N35E29-R33 IonicContact OE1-CZ 2.97Å; E29-R33 IonicContact OE1-NH2 3.51Å; E29-R33 PolarHBondContact OE1-NH2 3.18Å; V31-R33 PolarHBondContact O-N 3.33Å; R33-N35 PolarHBondContact O-N 3.09Å
34P42.1Very low52.8Low70 Ų7092.6 Ų92.646%0.45547%0.468SS..  trans-56110.8-17121-32.7000109.6N38 Y41P34-N38 HydrophobicContact CB-CB 4.46Å; P34-Y41 HydrophobicContact CB-CG 4.5Å; P34-Y41 HydrophobicContact CG-CE1 4.28Å
35N40.5Very low55Low103 Ų10387.1 Ų87.155%0.55145%0.447SS*.  trans-64.8157.5171.4-162.73.1000107.5R33 N37 N38R33-N35 PolarHBondContact O-N 3.09Å; N35-N37 PolarHBondContact O-N 3.06Å; N35-N38 PolarHBondContact O-N 3.5Å
36S44.3Very low56.7Low115 Ų11586 Ų8680%0.80443%0.434SS*.THydrogen-bonded Turntrans-64.710.9-174.251.10000115.4
37N50.2Low58.1Low33 Ų3381.7 Ų81.718%0.17643%0.426CS..THydrogen-bonded Turntrans-113-2-172.9-53.923000111.6N35 L39 N133N35-N37 PolarHBondContact O-N 3.06Å; N37-L39 VanDerWaalsContact C-N 3.31Å; N37-L39 PolarHBondContact O-N 3.04Å; N37-N133 PolarHBondContact ND2-OD1 3.19Å
38N58.8Low59.7Low26 Ų2683.5 Ų83.514%0.13943%0.431CS..  trans-77.975.4-178.4-70.817000111.4P34 N35 L40 Y41 S257P34-N38 HydrophobicContact CB-CB 4.46Å; N35-N38 PolarHBondContact O-N 3.5Å; N38-L40 PolarHBondContact O-N 3.13Å; N38-Y41 PolarHBondContact O-N 3.32Å; N38-Y41 VanDerWaalsContact O-N 3.17Å; N38-S257 VanDerWaalsContact CG-O 3.26Å; N38-S257 PolarHBondContact OD1-O 2.81Å
39L69.9Low61.2Low95 Ų9580 Ų8050%0.49742%0.422SS..THydrogen-bonded Turntrans-49.8-30.6-171.6-12678.6000116.1N37 V111 L135 S257N37-L39 VanDerWaalsContact C-N 3.31Å; N37-L39 PolarHBondContact O-N 3.04Å; L39-V111 HydrophobicContact CD2-CG1 4.45Å; L39-L135 HydrophobicContact CB-CD1 3.92Å; L39-L135 HydrophobicContact CB-CD2 4.38Å; L39-S257 PolarHBondContact N-OG 3.26Å
40L82.7Confident62.9Low7 Ų779.3 Ų79.34%0.03742%0.419CS..THydrogen-bonded Turntrans-116.425.3-175-57-179.8000113.7N38 C42 V111 L135 I138 L235 S257N38-L40 PolarHBondContact O-N 3.13Å; L40-C42 PolarHBondContact O-N 2.83Å; L40-V111 HydrophobicContact CD1-CG2 3.81Å; L40-V111 HydrophobicContact CD2-CG2 4.16Å; L40-V111 HydrophobicContact CG-CG2 4.16Å; L40-L135 HydrophobicContact CD1-CD1 4.1Å; L40-L135 HydrophobicContact CG-CD1 4.06Å; L40-I138 HydrophobicContact CD1-CD1 4.36Å; L40-L235 HydrophobicContact CD1-CD1 3.81Å; L40-L235 HydrophobicContact CD1-CG 4.46Å; L40-S257 PolarHBondContact N-OG 3.4Å; L40-S257 VanDerWaalsContact N-OG 3.08Å
41Y85.8Confident65Low85 Ų8573.2 Ų73.233%0.33338%0.384SS..  trans-66.4127.5178.7-178-112.8000112.5P34 N38 I255 T256P34-Y41 HydrophobicContact CB-CG 4.5Å; P34-Y41 HydrophobicContact CG-CE1 4.28Å; N38-Y41 PolarHBondContact O-N 3.32Å; N38-Y41 VanDerWaalsContact O-N 3.17Å; Y41-I255 CarbonylContact C-O 3.49Å; Y41-I255 WeakPolarHBondContact CA-O 3.38Å; Y41-I255 WeakPolarHBondContact CD2-O 3.05Å; Y41-T256 HydrophobicContact CD2-CG2 4.27Å; Y41-T256 WeakPolarHBondContact CD2-OG1 3.24Å
42C87.9Confident66.7Low0 Ų071.1 Ų71.10%037%0.373CS..BIsolated β-bridgetrans-150.4121.8172.6-171.20000112.1L40 F44 C52 N254 I255L40-C42 PolarHBondContact O-N 2.83Å; C42-F44 WeakPolarHBondContact SG-CD1 3.47Å; C42-F44 WeakPolarHBondContact SG-CE1 3.48Å; C42-C52 WeakPolarHBondContact CA-SG 3.35Å; C42-C52 HydrophobicContact CB-CB 3.52Å; C42-C52 WeakPolarHBondContact CB-SG 3.19Å; C42-C52 WeakPolarHBondContact SG-CB 3.34Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.37Å; C42-N254 CarbonylContact O-C 3.47Å; C42-N254 WeakPolarHBondContact O-CA 3.37Å; C42-I255 HydrophobicContact CB-CB 4.44Å; C42-I255 PolarHBondContact N-O 2.87Å; C42-I255 PolarHBondContact O-N 3.26Å
43D84.6Confident68.7Low42 Ų4272 Ų7223%0.22537%0.369CS..  trans-102.4-6.617554.522.2000113D45D43-D45 PolarHBondContact O-N 2.91Å; D43-D45 PolarHBondContact OD1-N 3.23Å
44F84.3Confident70.9Confident0 Ų063.7 Ų63.70%034%0.338CS..SBendtrans56.17.7-172.3-51.7-78.3000115.6C42 N46 F51 H67 I79 I255C42-F44 WeakPolarHBondContact SG-CD1 3.47Å; C42-F44 WeakPolarHBondContact SG-CE1 3.48Å; F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.93Å; F44-F51 HydrophobicContact CD1-CD1 4.43Å; F44-F51 HydrophobicContact CE1-CB 4.39Å; F44-F51 HydrophobicContact CE1-CD1 4.39Å; F44-H67 PolarHBondContact O-NE2 3.3Å; F44-I79 HydrophobicContact CD1-CB 3.98Å; F44-I79 HydrophobicContact CD2-CB 4.43Å; F44-I79 HydrophobicContact CD2-CG2 4.45Å; F44-I79 HydrophobicContact CE1-CB 3.72Å; F44-I79 HydrophobicContact CE1-CD1 3.97Å; F44-I79 HydrophobicContact CE1-CG1 4.34Å; F44-I79 HydrophobicContact CE1-CG2 3.83Å; F44-I79 HydrophobicContact CE2-CB 4.18Å; F44-I79 HydrophobicContact CE2-CG2 3.77Å; F44-I79 HydrophobicContact CG-CB 4.34Å; F44-I79 HydrophobicContact CZ-CB 3.83Å; F44-I79 HydrophobicContact CZ-CD1 4.46Å; F44-I79 HydrophobicContact CZ-CG2 3.42Å; F44-I79 VanDerWaalsContact CZ-CG2 3.42Å; F44-I255 HydrophobicContact CE2-CD1 4.24Å; F44-I255 HydrophobicContact CE2-CG1 4.37Å; F44-I255 HydrophobicContact CZ-CD1 3.88Å; F44-I255 HydrophobicContact CZ-CG1 4.5Å
45D80Confident73.1Confident67 Ų6765.3 Ų65.336%0.35834%0.339SS..  trans-72.9-28.8-178.9-78.7-5.9000111.7D43 A47 H75 N76 G77D43-D45 PolarHBondContact O-N 2.91Å; D43-D45 PolarHBondContact OD1-N 3.23Å; D45-A47 PolarHBondContact O-N 3.28Å; D45-H75 VanDerWaalsContact OD1-O 3.05Å; D45-N76 VanDerWaalsContact OD1-CA 3.27Å; D45-N76 WeakPolarHBondContact OD1-CA 3.26Å; D45-G77 PolarHBondContact OD1-N 2.93Å
46N71.6Confident75.3Confident69 Ų6962 Ų6237%0.36933%0.33SS..  trans-78.687.7-177.2-175.38.1000112.9F44 K48 M49F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.93Å; N46-K48 PolarHBondContact O-N 2.85Å; N46-K48 WeakPolarHBondContact OD1-CB 3.46Å; N46-K48 PolarHBondContact OD1-N 2.93Å; N46-K48 VanDerWaalsContact OD1-N 3.16Å; N46-M49 CarbonylContact O-C 3.51Å; N46-M49 PolarHBondContact O-N 2.85Å
47A64Low77.2Confident70 Ų7057 Ų5758%0.57929%0.294SS*.THydrogen-bonded Turntrans-57-4.9175.300000116.3D45D45-A47 PolarHBondContact O-N 3.28Å
48K66.8Low78.5Confident196 Ų19659.7 Ų59.785%0.85231%0.313SS*.THydrogen-bonded Turntrans-87.3-16.1169.9-59.4-180179.91760113.6N46N46-K48 PolarHBondContact O-N 2.85Å; N46-K48 WeakPolarHBondContact OD1-CB 3.46Å; N46-K48 PolarHBondContact OD1-N 2.93Å; N46-K48 VanDerWaalsContact OD1-N 3.16Å
49M70.5Confident79.5Confident94 Ų9462.8 Ų62.846%0.46332%0.323SS..SBendtrans-135.375.6179.8-67.8176.4173.800107.5N46 F51 C52N46-M49 CarbonylContact O-C 3.51Å; N46-M49 PolarHBondContact O-N 2.85Å; M49-F51 PolarHBondContact O-N 2.88Å; M49-C52 PolarHBondContact O-N 2.96Å
50E69.4Low79.9Confident99 Ų9959.6 Ų59.646%0.46331%0.306SS..THydrogen-bonded Turntrans-44.8-32.5-166.2-164.6-179.1163.900114.8H67E50-H67 HydrophobicContact CG-CB 3.71Å
51F82.2Confident79.2Confident34 Ų3463.6 Ų63.615%0.14933%0.328CS..THydrogen-bonded Turntrans-129.221.7179.8-48.2-51.5000114.6F44 M49 H53 W54 H67 I79 L106F44-F51 HydrophobicContact CD1-CD1 4.43Å; F44-F51 HydrophobicContact CE1-CB 4.39Å; F44-F51 HydrophobicContact CE1-CD1 4.39Å; M49-F51 PolarHBondContact O-N 2.88Å; F51-H53 PolarHBondContact O-N 3.28Å; F51-W54 HydrophobicContact CB-CB 4.17Å; F51-W54 WeakPolarHBondContact CB-O 3.28Å; F51-W54 WeakPolarHBondContact O-CB 3.06Å; F51-W54 PolarHBondContact O-N 3.43Å; F51-H67 HydrophobicContact CE1-CB 4.42Å; F51-I79 HydrophobicContact CD1-CD1 3.24Å; F51-I79 HydrophobicContact CD1-CG1 3.82Å; F51-I79 HydrophobicContact CE1-CD1 3.52Å; F51-I79 HydrophobicContact CE1-CG1 3.74Å; F51-I79 HydrophobicContact CG-CD1 4.02Å; F51-I79 HydrophobicContact CZ-CD1 4.45Å; F51-L106 HydrophobicContact CG-CD1 4.49Å
52C81Confident78.6Confident19 Ų1962.2 Ų62.213%0.12832%0.324CS..THydrogen-bonded Turntrans38.967.7-177.6-140000114.4C42 M49 W54C42-C52 WeakPolarHBondContact CA-SG 3.35Å; C42-C52 HydrophobicContact CB-CB 3.52Å; C42-C52 WeakPolarHBondContact CB-SG 3.19Å; C42-C52 WeakPolarHBondContact SG-CB 3.34Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.37Å; M49-C52 PolarHBondContact O-N 2.96Å; C52-W54 PolarHBondContact O-N 3.46Å
53H84.5Confident78.3Confident103 Ų10362.2 Ų62.248%0.47732%0.324SS..THydrogen-bonded Turntrans67.4-14.4-177.8-63.1-122.2000116.6F51 E109F51-H53 PolarHBondContact O-N 3.28Å; H53-E109 HydrophobicContact CB-CB 4.48Å; H53-E109 IonicContact CE1-OE2 3.92Å; H53-E109 IonicContact CG-OE2 2.84Å; H53-E109 IonicContact ND1-OE1 3.61Å; H53-E109 IonicContact ND1-OE2 3.55Å; H53-E109 PolarHBondContact ND1-OE2 2.99Å
54W88.3Confident78.5Confident10 Ų1063 Ų634%0.03833%0.326CS..  trans-66.2150.1166.9-63.672.8000110.9F51 C52 L106 W107 L235 L237 I255F51-W54 HydrophobicContact CB-CB 4.17Å; F51-W54 WeakPolarHBondContact CB-O 3.28Å; F51-W54 WeakPolarHBondContact O-CB 3.06Å; F51-W54 PolarHBondContact O-N 3.43Å; C52-W54 PolarHBondContact O-N 3.46Å; W54-L106 HydrophobicContact CB-CD1 4.19Å; W54-L106 HydrophobicContact CB-CD2 3.97Å; W54-L106 HydrophobicContact CB-CG 3.92Å; W54-L106 HydrophobicContact CD2-CD2 4.17Å; W54-L106 HydrophobicContact CE3-CD2 3.86Å; W54-L106 HydrophobicContact CE3-CG 3.97Å; W54-L106 HydrophobicContact CG-CD2 4.24Å; W54-W107 CarbonylContact C-O 3.56Å; W54-W107 WeakPolarHBondContact CA-O 3.39Å; W54-W107 WeakPolarHBondContact CB-O 3.05Å; W54-W107 VanDerWaalsContact CE3-C 3.44Å; W54-L235 HydrophobicContact CH2-CB 4.15Å; W54-L237 HydrophobicContact CH2-CD1 4.31Å; W54-L237 HydrophobicContact CZ3-CD1 4.06Å; W54-L237 HydrophobicContact CZ3-CG 4.21Å; W54-I255 HydrophobicContact CD2-CD1 4.49Å; W54-I255 HydrophobicContact CZ2-CD1 4.07Å; W54-I255 HydrophobicContact CZ2-CG2 3.87Å
55Q87.8Confident78.7Confident104 Ų10463.5 Ų63.549%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-130.8121.8-172.7-71.2169.556.200110.7W107Q55-W107 PolarHBondContact N-O 2.72Å; Q55-W107 PolarHBondContact O-N 2.82Å
56G86Confident79Confident35 Ų3564 Ų6436%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-67.1133.6170.600000110.3P58G56-P58 WeakPolarHBondContact O-CD 3.32Å
57D85Confident79.7Confident10 Ų1061.8 Ų61.85%0.05331%0.314CS..  trans-68.5118-175.5-167.7-38.2000111.4R59 N60 R105 W107 I860D57-R59 PolarHBondContact O-N 2.89Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.34Å; D57-R59 IonicContact OD1-CZ 2.99Å; D57-R59 PolarHBondContact OD1-N 2.97Å; D57-R59 VanDerWaalsContact OD1-N 3.08Å; D57-R59 IonicContact OD1-NE 3.25Å; D57-R59 PolarHBondContact OD1-NE 3.38Å; D57-R59 IonicContact OD1-NH2 3.18Å; D57-R59 IonicContact OD2-CZ 3.25Å; D57-R59 IonicContact OD2-NE 2.9Å; D57-R59 IonicContact OD2-NH2 2.68Å; D57-R59 PolarHBondContact OD2-NH2 3.08Å; D57-N60 WeakPolarHBondContact CB-OD1 3.35Å; D57-N60 PolarHBondContact O-N 2.84Å; D57-N60 VanDerWaalsContact O-N 3.13Å; D57-R105 HydrophobicContact CB-CB 3.81Å; D57-R105 PolarHBondContact N-O 3.23Å; D57-W107 PolarHBondContact OD2-NE1 3.01Å; D57-I860 WeakPolarHBondContact OD1-CD1 3.39Å
58P78.3Confident80.4Confident88 Ų8861.2 Ų61.257%0.57130%0.3SS*.THydrogen-bonded Turntrans-63.6-18.5-174.525.9-35.2000113.3G56 N60 I860G56-P58 WeakPolarHBondContact O-CD 3.32Å; P58-N60 VanDerWaalsContact C-N 3.31Å; P58-I860 HydrophobicContact CG-CD1 4.15Å; P58-I860 HydrophobicContact CG-CG1 4.39Å
59R78.3Confident80.8Confident92 Ų9258.3 Ų58.335%0.34728%0.284SS..THydrogen-bonded Turntrans-79-9.9-179.7-57.3169-66.3173.80.5113.2D57 D61 Y856 D857D57-R59 PolarHBondContact O-N 2.89Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.34Å; D57-R59 IonicContact OD1-CZ 2.99Å; D57-R59 PolarHBondContact OD1-N 2.97Å; D57-R59 VanDerWaalsContact OD1-N 3.08Å; D57-R59 IonicContact OD1-NE 3.25Å; D57-R59 PolarHBondContact OD1-NE 3.38Å; D57-R59 IonicContact OD1-NH2 3.18Å; D57-R59 IonicContact OD2-CZ 3.25Å; D57-R59 IonicContact OD2-NE 2.9Å; D57-R59 IonicContact OD2-NH2 2.68Å; D57-R59 PolarHBondContact OD2-NH2 3.08Å; R59-D61 PolarHBondContact O-N 3.37Å; R59-D61 VanDerWaalsContact O-N 3.14Å; R59-Y856 PolarHBondContact NH1-O 3.16Å; R59-D857 IonicContact CZ-OD1 3.11Å; R59-D857 VanDerWaalsContact CZ-OD1 3.25Å; R59-D857 IonicContact NH1-OD1 2.68Å; R59-D857 PolarHBondContact NH1-OD1 2.93Å; R59-D857 IonicContact NH2-OD1 3.75Å; R59-D857 PolarHBondContact NH2-OD1 3.17Å
60N79Confident80.6Confident27 Ų2755.7 Ų55.714%0.14427%0.271CS..  trans-76.6102.3175.6-65137.2000111.1D57 P58 A63 R84 T103 A104 R105D57-N60 WeakPolarHBondContact CB-OD1 3.35Å; D57-N60 PolarHBondContact O-N 2.84Å; D57-N60 VanDerWaalsContact O-N 3.13Å; P58-N60 VanDerWaalsContact C-N 3.31Å; N60-A63 VanDerWaalsContact CB-O 3.3Å; N60-A63 WeakPolarHBondContact CB-O 3Å; N60-R84 WeakPolarHBondContact O-CD 3.43Å; N60-R84 PolarHBondContact O-NH1 2.84Å; N60-T103 PolarHBondContact ND2-O 3.41Å; N60-A104 HydrophobicContact CB-CB 4.1Å; N60-A104 WeakPolarHBondContact OD1-CA 3.21Å; N60-A104 WeakPolarHBondContact OD1-CB 3.49Å; N60-R105 PolarHBondContact OD1-N 3.46Å
61D66.9Low80Confident92 Ų9257.3 Ų57.349%0.49229%0.288SS..SBendtrans-80.4-41.218068.3-36.7000112.8R59 R84R59-D61 PolarHBondContact O-N 3.37Å; R59-D61 VanDerWaalsContact O-N 3.14Å; D61-R84 WeakPolarHBondContact O-CB 3.34Å; D61-R84 WeakPolarHBondContact O-CD 3.02Å
62K74.9Confident78.8Confident55 Ų5558.6 Ų58.624%0.23930%0.299CS..SBendtrans-86.4-30-170.6-67.6146.1-170.597.40113.8R84 L102 N851K62-R84 PolarHBondContact O-N 3.04Å; K62-L102 HydrophobicContact CB-CD2 3.92Å; K62-L102 WeakPolarHBondContact O-CD2 3.08Å; K62-N851 PolarHBondContact NZ-OD1 3.47Å; K62-N851 VanDerWaalsContact NZ-OD1 3.13Å
63A81.8Confident77.5Confident1 Ų160.8 Ų60.81%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-138.4161.6-178.400000111.6N60 L81 Q82 L102 A104N60-A63 VanDerWaalsContact CB-O 3.3Å; N60-A63 WeakPolarHBondContact CB-O 3Å; A63-L81 HydrophobicContact CB-CD1 3.96Å; A63-Q82 WeakPolarHBondContact CA-O 3.41Å; A63-L102 HydrophobicContact CB-CB 4.17Å; A63-L102 HydrophobicContact CB-CD2 4.34Å; A63-A104 HydrophobicContact CB-CB 4.09Å
64H86.9Confident75.9Confident57 Ų5762.7 Ų62.726%0.26432%0.322SS..EExtended strand (participates in β ladder)trans-147.9148.5175.465-45.6000110.3Q82 R84H64-Q82 PolarHBondContact N-O 3.14Å; H64-Q82 PolarHBondContact ND1-O 2.89Å; H64-Q82 PolarHBondContact O-N 2.83Å; H64-R84 HydrophobicContact CB-CG 4.18Å
65W89.4Confident74.3Confident12 Ų1269.3 Ų69.35%0.04535%0.353CS..EExtended strand (participates in β ladder)trans-76.6141.7162.4-6897.6000109.1I79 L81 A104 L106 L166 I250 V252W65-I79 HydrophobicContact CB-CD1 3.68Å; W65-I79 HydrophobicContact CB-CG1 4.06Å; W65-I79 HydrophobicContact CE3-CD1 4.31Å; W65-I79 HydrophobicContact CE3-CG1 4.13Å; W65-I79 HydrophobicContact CE3-CG2 4.11Å; W65-I79 HydrophobicContact CG-CD1 4.31Å; W65-I79 HydrophobicContact CZ3-CG2 4.31Å; W65-L81 HydrophobicContact CD2-CB 4.48Å; W65-L81 HydrophobicContact CD2-CD1 4.5Å; W65-L81 HydrophobicContact CE3-CB 4.19Å; W65-L81 HydrophobicContact CH2-CB 4.39Å; W65-L81 HydrophobicContact CZ3-CB 4.15Å; W65-A104 PolarHBondContact NE1-O 3.32Å; W65-A104 VanDerWaalsContact NE1-O 3.1Å; W65-L106 HydrophobicContact CB-CD1 4.22Å; W65-L106 HydrophobicContact CD2-CB 4.45Å; W65-L106 HydrophobicContact CG-CB 4.16Å; W65-L106 HydrophobicContact CG-CD1 4.34Å; W65-L166 HydrophobicContact CH2-CD1 3.97Å; W65-L166 HydrophobicContact CZ2-CD1 4.17Å; W65-I250 HydrophobicContact CH2-CG2 4.31Å; W65-V252 HydrophobicContact CH2-CG2 4.03Å; W65-V252 HydrophobicContact CZ3-CG2 4.08Å
66K86.4Confident73.3Confident76 Ų7667.7 Ų67.733%0.3335%0.348SS..EExtended strand (participates in β ladder)trans-146.3142.1-173.2-171.9-157.3167-160.50110.4C80 Q82K66-C80 PolarHBondContact N-O 2.9Å; K66-C80 PolarHBondContact O-N 3.37Å; K66-Q82 HydrophobicContact CB-CG 4.49Å; K66-Q82 HydrophobicContact CD-CG 4.32Å; K66-Q82 VanDerWaalsContact CD-OE1 3.28Å
67H85.4Confident72.9Confident24 Ų2466 Ų6611%0.11133%0.331CS..EExtended strand (participates in β ladder)trans-68133.2169.7-165.8-77000111.9F44 E50 F51 Y69F44-H67 PolarHBondContact O-NE2 3.3Å; E50-H67 HydrophobicContact CG-CB 3.71Å; F51-H67 HydrophobicContact CE1-CB 4.42Å; H67-Y69 AromaticContact CE1-CE1 3.61Å; H67-Y69 AromaticContact CE1-CE2 3.84Å; H67-Y69 AromaticContact CE1-CZ 3.52Å; H67-Y69 AromaticContact ND1-CE2 3.95Å
68E80.1Confident73Confident57 Ų5766 Ų6627%0.26633%0.33SS..EExtended strand (participates in β ladder)trans-135.8151.3171.1-60.4-163.8-11800110.1I78 C80 Q82E68-I78 HydrophobicContact CB-CG1 4.24Å; E68-I78 PolarHBondContact N-O 2.86Å; E68-I78 WeakPolarHBondContact O-CG1 3.49Å; E68-I78 PolarHBondContact O-N 2.81Å; E68-I78 VanDerWaalsContact O-O 3.11Å; E68-C80 HydrophobicContact CG-CB 4.28Å; E68-C80 WeakPolarHBondContact OE1-CB 3.38Å; E68-Q82 PolarHBondContact OE1-NE2 2.86Å; E68-Q82 PolarHBondContact OE2-NE2 3.39Å
69Y75Confident73.5Confident135 Ų13561.8 Ų61.853%0.52930%0.303SS..EExtended strand (participates in β ladder)trans-101.8126.2172.5-70.3-76000109.9H67 T71H67-Y69 AromaticContact CE1-CE1 3.61Å; H67-Y69 AromaticContact CE1-CE2 3.84Å; H67-Y69 AromaticContact CE1-CZ 3.52Å; H67-Y69 AromaticContact ND1-CE2 3.95Å; Y69-T71 PolarHBondContact O-N 3.11Å
70M64.9Low74.1Confident39 Ų3957.5 Ų57.519%0.19229%0.288CS..  trans-76117.2-176.2-164.6169.6169.800111.3T72 D73 N76 I78 W211M70-T72 HydrophobicContact CE-CG2 4.29Å; M70-T72 WeakPolarHBondContact CE-OG1 3.45Å; M70-T72 PolarHBondContact O-N 3.21Å; M70-D73 PolarHBondContact O-N 3.27Å; M70-D73 VanDerWaalsContact O-N 3.09Å; M70-N76 PolarHBondContact N-O 3.19Å; M70-I78 HydrophobicContact CB-CD1 4.11Å; M70-I78 HydrophobicContact CG-CD1 4.44Å; M70-W211 HydrophobicContact SD-CZ2 3.89Å
71T58Low74.6Confident133 Ų13356.2 Ų56.282%0.81628%0.281SS*.THydrogen-bonded Turntrans-65.5-8.8-170.956.40000115.5Y69Y69-T71 PolarHBondContact O-N 3.11Å
72T55.9Low75.1Confident61 Ų6152.5 Ų52.537%0.37426%0.26SS..THydrogen-bonded Turntrans-79.1-35.2174.253.10000112.5K22 M70K22-T72 PolarHBondContact NZ-O 3.2Å; M70-T72 HydrophobicContact CE-CG2 4.29Å; M70-T72 WeakPolarHBondContact CE-OG1 3.45Å; M70-T72 PolarHBondContact O-N 3.21Å
73D54.2Low75.2Confident66 Ų6650.4 Ų50.435%0.35325%0.252SS..SBendtrans-137.3100.1-163.9-64.1-71.4000109.7M70 H75 N76M70-D73 PolarHBondContact O-N 3.27Å; M70-D73 VanDerWaalsContact O-N 3.09Å; D73-H75 PolarHBondContact O-N 3.22Å; D73-N76 PolarHBondContact O-N 2.04Å
74L51.4Low74.6Confident142 Ų14256.6 Ų56.674%0.74328%0.276SS*.THydrogen-bonded Turntrans-642.9-156.5-114.875000117.7
75H53.8Low73.2Confident150 Ų15058.7 Ų58.769%0.69429%0.289SS*.THydrogen-bonded Turntrans-135-6.5-171.8-58.593.7000114.3D45 D73D45-H75 VanDerWaalsContact OD1-O 3.05Å; D73-H75 PolarHBondContact O-N 3.22Å
76N68.4Low71.4Confident69 Ų6963.4 Ų63.437%0.36931%0.313SS..  trans-89.3117177.5-77.281.3000110.8D45 M70 D73D45-N76 VanDerWaalsContact OD1-CA 3.27Å; D45-N76 WeakPolarHBondContact OD1-CA 3.26Å; M70-N76 PolarHBondContact N-O 3.19Å; D73-N76 PolarHBondContact O-N 2.04Å
77G77.3Confident69.5Low0 Ų066.5 Ų66.50%033%0.329CS..EExtended strand (participates in β ladder)trans-72.7147.1161.600000110.3D45D45-G77 PolarHBondContact OD1-N 2.93Å
78I86.4Confident67.3Low9 Ų968.5 Ų68.55%0.04634%0.343CS..EExtended strand (participates in β ladder)trans-138.7151.6172.561.2171.5000109.4E68 M70 C80 W211 C251 D253E68-I78 HydrophobicContact CB-CG1 4.24Å; E68-I78 PolarHBondContact N-O 2.86Å; E68-I78 WeakPolarHBondContact O-CG1 3.49Å; E68-I78 PolarHBondContact O-N 2.81Å; E68-I78 VanDerWaalsContact O-O 3.11Å; M70-I78 HydrophobicContact CB-CD1 4.11Å; M70-I78 HydrophobicContact CG-CD1 4.44Å; I78-C80 VanDerWaalsContact CD1-SG 3.56Å; I78-W211 HydrophobicContact CB-CH2 4.32Å; I78-W211 HydrophobicContact CD1-CH2 4.38Å; I78-W211 HydrophobicContact CD1-CZ2 4.21Å; I78-W211 HydrophobicContact CG2-CH2 3.92Å; I78-W211 HydrophobicContact CG2-CZ2 3.91Å; I78-C251 HydrophobicContact CD1-CB 4.29Å; I78-D253 HydrophobicContact CG2-CB 4.04Å
79I89.6Confident65.4Low0 Ų076.4 Ų76.40%037%0.372CS..EExtended strand (participates in β ladder)trans-100.5128.3172-156.3-178.3000109.8F44 F51 W65 L106 C251 V252F44-I79 HydrophobicContact CD1-CB 3.98Å; F44-I79 HydrophobicContact CD2-CB 4.43Å; F44-I79 HydrophobicContact CD2-CG2 4.45Å; F44-I79 HydrophobicContact CE1-CB 3.72Å; F44-I79 HydrophobicContact CE1-CD1 3.97Å; F44-I79 HydrophobicContact CE1-CG1 4.34Å; F44-I79 HydrophobicContact CE1-CG2 3.83Å; F44-I79 HydrophobicContact CE2-CB 4.18Å; F44-I79 HydrophobicContact CE2-CG2 3.77Å; F44-I79 HydrophobicContact CG-CB 4.34Å; F44-I79 HydrophobicContact CZ-CB 3.83Å; F44-I79 HydrophobicContact CZ-CD1 4.46Å; F44-I79 HydrophobicContact CZ-CG2 3.42Å; F44-I79 VanDerWaalsContact CZ-CG2 3.42Å; F51-I79 HydrophobicContact CD1-CD1 3.24Å; F51-I79 HydrophobicContact CD1-CG1 3.82Å; F51-I79 HydrophobicContact CE1-CD1 3.52Å; F51-I79 HydrophobicContact CE1-CG1 3.74Å; F51-I79 HydrophobicContact CG-CD1 4.02Å; F51-I79 HydrophobicContact CZ-CD1 4.45Å; W65-I79 HydrophobicContact CB-CD1 3.68Å; W65-I79 HydrophobicContact CB-CG1 4.06Å; W65-I79 HydrophobicContact CE3-CD1 4.31Å; W65-I79 HydrophobicContact CE3-CG1 4.13Å; W65-I79 HydrophobicContact CE3-CG2 4.11Å; W65-I79 HydrophobicContact CG-CD1 4.31Å; W65-I79 HydrophobicContact CZ3-CG2 4.31Å; I79-L106 HydrophobicContact CD1-CD1 3.72Å; I79-L106 HydrophobicContact CD1-CD2 3.76Å; I79-L106 HydrophobicContact CD1-CG 4.37Å; I79-C251 CarbonylContact O-C 3.6Å; I79-C251 WeakPolarHBondContact O-CA 3.42Å; I79-V252 HydrophobicContact CG2-CB 3.85Å; I79-V252 PolarHBondContact N-O 2.87Å; I79-V252 VanDerWaalsContact N-O 3.08Å; I79-V252 PolarHBondContact O-N 2.94Å
80C89.8Confident63.8Low3 Ų379.5 Ų79.52%0.0238%0.383CS..EExtended strand (participates in β ladder)trans-128.3141.5-178.6-65.40000111.8K66 E68 I78 Q82 I250 C251K66-C80 PolarHBondContact N-O 2.9Å; K66-C80 PolarHBondContact O-N 3.37Å; E68-C80 HydrophobicContact CG-CB 4.28Å; E68-C80 WeakPolarHBondContact OE1-CB 3.38Å; I78-C80 VanDerWaalsContact CD1-SG 3.56Å; C80-Q82 PolarHBondContact O-N 2.88Å; C80-I250 CarbonylContact C-O 3.59Å; C80-I250 WeakPolarHBondContact CA-O 3.4Å; C80-C251 HydrophobicContact CB-CB 4.17Å; C80-C251 WeakPolarHBondContact CB-SG 3.21Å; C80-C251 WeakPolarHBondContact SG-CB 3.35Å; C80-C251 CovalentContact SG-SG 2.05Å; C80-C251 PolarHBondContact SG-SG 3.3Å
81L89.2Confident63Low0 Ų079.9 Ų79.90%039%0.385CS..EExtended strand (participates in β ladder)trans-76.9117.8175.1-178.861.7000110.5A63 W65 A104 G239 I241 R249 I250A63-L81 HydrophobicContact CB-CD1 3.96Å; W65-L81 HydrophobicContact CD2-CB 4.48Å; W65-L81 HydrophobicContact CD2-CD1 4.5Å; W65-L81 HydrophobicContact CE3-CB 4.19Å; W65-L81 HydrophobicContact CH2-CB 4.39Å; W65-L81 HydrophobicContact CZ3-CB 4.15Å; L81-A104 HydrophobicContact CD1-CB 3.53Å; L81-G239 WeakPolarHBondContact CD2-O 3.17Å; L81-I241 HydrophobicContact CD2-CD1 3.78Å; L81-I241 HydrophobicContact CD2-CG1 4.04Å; L81-I241 HydrophobicContact CG-CD1 4.08Å; L81-R249 WeakPolarHBondContact O-CD 3.47Å; L81-I250 HydrophobicContact CB-CB 4.22Å; L81-I250 HydrophobicContact CD2-CD1 3.98Å; L81-I250 HydrophobicContact CD2-CG1 4.36Å; L81-I250 PolarHBondContact N-O 3.41Å
82Q78.7Confident62.5Low14 Ų1480.3 Ų80.37%0.06537%0.372CS..EExtended strand (participates in β ladder)trans-123.7145.2178.4-62.5-152.5-24.400112.6A63 H64 K66 E68 C80A63-Q82 WeakPolarHBondContact CA-O 3.41Å; H64-Q82 PolarHBondContact N-O 3.14Å; H64-Q82 PolarHBondContact ND1-O 2.89Å; H64-Q82 PolarHBondContact O-N 2.83Å; K66-Q82 HydrophobicContact CB-CG 4.49Å; K66-Q82 HydrophobicContact CD-CG 4.32Å; K66-Q82 VanDerWaalsContact CD-OE1 3.28Å; E68-Q82 PolarHBondContact OE1-NE2 2.86Å; E68-Q82 PolarHBondContact OE2-NE2 3.39Å; C80-Q82 PolarHBondContact O-N 2.88Å
83P75.5Confident61.8Low11 Ų1185.4 Ų85.47%0.07139%0.389CS..EExtended strand (participates in β ladder)trans-62.6136.3170.325.7-33.2000111.2N85 L102P83-N85 PolarHBondContact O-N 3.33Å; P83-L102 HydrophobicContact CB-CD1 3.93Å; P83-L102 HydrophobicContact CB-CD2 4.46Å
84R69.8Low61.4Low131 Ų13185.9 Ų85.949%0.49439%0.391SS..SBendtrans-82.928.3-167.4-154.8179.4179.5-173.8-2.6114.4N60 D61 K62 H64N60-R84 WeakPolarHBondContact O-CD 3.43Å; N60-R84 PolarHBondContact O-NH1 2.84Å; D61-R84 WeakPolarHBondContact O-CB 3.34Å; D61-R84 WeakPolarHBondContact O-CD 3.02Å; K62-R84 PolarHBondContact O-N 3.04Å; H64-R84 HydrophobicContact CB-CG 4.18Å
85N58.8Low61.3Low101 Ų10180.8 Ų80.854%0.5436%0.362SS..  trans-156.587.9172.5-157.4-26.3000113.2P83 Q87 L91P83-N85 PolarHBondContact O-N 3.33Å; N85-Q87 PolarHBondContact O-N 3.19Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.4Å; N85-Q87 WeakPolarHBondContact OD1-CG 3.42Å; N85-Q87 PolarHBondContact OD1-N 3.15Å; N85-L91 WeakPolarHBondContact O-CD1 3.19Å
86I51.5Low60.9Low110 Ų11076.9 Ų76.956%0.56435%0.351SS*.  trans-91.332.9-177.6-41.9-177.2000111.5T88I86-T88 PolarHBondContact O-N 3.3Å; I86-T88 VanDerWaalsContact O-N 3.09Å
87Q45.5Very low59.7Low142 Ų14279.5 Ų79.566%0.66437%0.365SS*.  trans-75.594.3172.5-75.6-78.9-15.400111.2N85N85-Q87 PolarHBondContact O-N 3.19Å; N85-Q87 WeakPolarHBondContact OD1-CB 3.4Å; N85-Q87 WeakPolarHBondContact OD1-CG 3.42Å; N85-Q87 PolarHBondContact OD1-N 3.15Å
88T40.2Very low58.4Low66 Ų6683.7 Ų83.741%0.40539%0.385SS..SBendtrans62.986.2155.564.80000118.3I86 R90I86-T88 PolarHBondContact O-N 3.3Å; I86-T88 VanDerWaalsContact O-N 3.09Å; T88-R90 PolarHBondContact O-N 3.01Å
89Y38.7Very low56.9Low223 Ų22394.3 Ų94.388%0.87543%0.425SS*.SBendtrans55.9-8141.5-21-67.5000121.1
90R42.5Very low55.6Low200 Ų20098.4 Ų98.476%0.75545%0.447SS*.  trans-96.2-12.1-176.3-75.9-177.7166.8-176-3114.1T88 R92 K93 I94T88-R90 PolarHBondContact O-N 3.01Å; R90-R92 PolarHBondContact O-N 2.68Å; R90-R92 VanDerWaalsContact O-N 3.13Å; R90-K93 PolarHBondContact O-N 2.86Å; R90-I94 HydrophobicContact CB-CD1 4.23Å
91L48.6Very low54.9Low46 Ų46101 Ų10124%0.24147%0.465CS..G310 helixtrans-57.7-31.2-169.7-61.6171.9000113.7N85 K93 I94 Y95N85-L91 WeakPolarHBondContact O-CD1 3.19Å; L91-K93 PolarHBondContact O-N 2.86Å; L91-I94 PolarHBondContact O-N 3.03Å; L91-Y95 HydrophobicContact CB-CD2 4.27Å; L91-Y95 HydrophobicContact CD2-CD2 4.26Å; L91-Y95 HydrophobicContact CD2-CE2 4.12Å; L91-Y95 PolarHBondContact O-N 3.16Å
92R46.1Very low54.5Low142 Ų142101.4 Ų101.454%0.53647%0.467SS..G310 helixtrans-56.9-16.5173.6-106.9-172.5-170.2-1493.1114.7R90 D148 D247R90-R92 PolarHBondContact O-N 2.68Å; R90-R92 VanDerWaalsContact O-N 3.13Å; R92-D148 IonicContact CZ-OD2 3.21Å; R92-D148 IonicContact NH1-OD2 2.81Å; R92-D148 PolarHBondContact NH1-OD2 3.13Å; R92-D148 IonicContact NH2-OD2 2.73Å; R92-D148 PolarHBondContact NH2-OD2 2.98Å; R92-D247 IonicContact CZ-OD2 3.19Å; R92-D247 IonicContact NE-OD2 2.87Å; R92-D247 PolarHBondContact NE-OD2 3.09Å; R92-D247 IonicContact NH2-OD2 2.7Å; R92-D247 PolarHBondContact NH2-OD2 2.95Å
93K41.5Very low54.9Low168 Ų168102.6 Ų102.673%0.7348%0.475SS*.G310 helixtrans-118.616.1176.2-147.8-167.6178.5-173.70113.8R90 L91 S96R90-K93 PolarHBondContact O-N 2.86Å; L91-K93 PolarHBondContact O-N 2.86Å; K93-S96 WeakPolarHBondContact CA-OG 3.31Å
94I46.8Very low55.6Low77 Ų77102.1 Ų102.140%0.39547%0.472SS..THydrogen-bonded Turntrans-120.7-43.9176.8-58.8174.6000108.8R90 L91 S96 D97 Q98R90-I94 HydrophobicContact CB-CD1 4.23Å; L91-I94 PolarHBondContact O-N 3.03Å; I94-S96 VanDerWaalsContact C-N 3.25Å; I94-S96 PolarHBondContact O-N 2.83Å; I94-D97 PolarHBondContact O-N 2.04Å; I94-Q98 PolarHBondContact O-N 3.46Å
95Y48.8Very low56.7Low34 Ų3497.9 Ų97.913%0.13346%0.456CS..THydrogen-bonded Turntrans-78.6-2.5171.8-82.1-81.9000114.5L91 L102 G244 P246L91-Y95 HydrophobicContact CB-CD2 4.27Å; L91-Y95 HydrophobicContact CD2-CD2 4.26Å; L91-Y95 HydrophobicContact CD2-CE2 4.12Å; L91-Y95 PolarHBondContact O-N 3.16Å; Y95-L102 HydrophobicContact CE1-CD1 4.15Å; Y95-L102 HydrophobicContact CE1-CD2 3.64Å; Y95-L102 HydrophobicContact CE1-CG 3.99Å; Y95-G244 PolarHBondContact O-N 3Å; Y95-P246 HydrophobicContact CG-CB 4.44Å
96S44.8Very low58.3Low68 Ų6893.1 Ų93.148%0.47643%0.43SS..THydrogen-bonded Turntrans-77.2-31.5162.653.40000112.2K93 I94K93-S96 WeakPolarHBondContact CA-OG 3.31Å; I94-S96 VanDerWaalsContact C-N 3.25Å; I94-S96 PolarHBondContact O-N 2.83Å
97D42.9Very low60.2Low124 Ų12488.6 Ų88.666%0.66341%0.406SS*.THydrogen-bonded Turntrans-104.7-26.5-167.3-64.723.3000111I94I94-D97 PolarHBondContact O-N 2.04Å
98Q50.5Low62.4Low89 Ų8981.9 Ų81.942%0.41638%0.375SS..  trans-77121168.8-72.8-168.3-21.700111.4I94 N100 A243I94-Q98 PolarHBondContact O-N 3.46Å; Q98-N100 PolarHBondContact O-N 2.93Å; Q98-A243 WeakPolarHBondContact O-CB 3.38Å
99R54.5Low64.5Low231 Ų23183.3 Ų83.387%0.87238%0.377SS*.  trans-73.11174.6-68.5-176.1172.5-170.4-2.6114.7
100N63.9Low66.6Low87 Ų8775.2 Ų75.247%0.46535%0.351SS..  trans-87.7126.6-166.4-62.3-2.1000110.6Q98Q98-N100 PolarHBondContact O-N 2.93Å
101S74.2Confident68.5Low57 Ų5765.9 Ų65.940%0.39932%0.316SS..  trans-69.3147.117253.30000111.7I241S101-I241 WeakPolarHBondContact CA-O 3.35Å
102L81Confident69.7Low8 Ų870.5 Ų70.54%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-90.7107.9171.8-68.2175.4000109K62 A63 P83 Y95 T240 I241K62-L102 HydrophobicContact CB-CD2 3.92Å; K62-L102 WeakPolarHBondContact O-CD2 3.08Å; A63-L102 HydrophobicContact CB-CB 4.17Å; A63-L102 HydrophobicContact CB-CD2 4.34Å; P83-L102 HydrophobicContact CB-CD1 3.93Å; P83-L102 HydrophobicContact CB-CD2 4.46Å; Y95-L102 HydrophobicContact CE1-CD1 4.15Å; Y95-L102 HydrophobicContact CE1-CD2 3.64Å; Y95-L102 HydrophobicContact CE1-CG 3.99Å; L102-T240 CarbonylContact O-C 3.51Å; L102-T240 WeakPolarHBondContact O-CA 3.45Å; L102-I241 HydrophobicContact CB-CB 4.24Å; L102-I241 PolarHBondContact N-O 2.94Å; L102-I241 PolarHBondContact O-N 3Å
103T87.1Confident70.6Confident40 Ų4064.5 Ų64.525%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-118.1136.3176-58.80000110.3N60 E238 G239 T240N60-T103 PolarHBondContact ND2-O 3.41Å; T103-E238 HydrophobicContact CG2-CG 3.8Å; T103-G239 CarbonylContact C-O 3.58Å; T103-G239 VanDerWaalsContact CA-O 3.29Å; T103-G239 WeakPolarHBondContact CA-O 3.44Å; T103-T240 WeakPolarHBondContact CG2-OG1 3.49Å; T103-T240 WeakPolarHBondContact OG1-CG2 3.48Å; T103-T240 PolarHBondContact OG1-OG1 2.98Å
104A90.7Very high71.3Confident0 Ų060.4 Ų60.40%031%0.305CS..EExtended strand (participates in β ladder)trans-141.4150.1165.300000113.9N60 A63 W65 L81 G239N60-A104 HydrophobicContact CB-CB 4.1Å; N60-A104 WeakPolarHBondContact OD1-CA 3.21Å; N60-A104 WeakPolarHBondContact OD1-CB 3.49Å; A63-A104 HydrophobicContact CB-CB 4.09Å; W65-A104 PolarHBondContact NE1-O 3.32Å; W65-A104 VanDerWaalsContact NE1-O 3.1Å; L81-A104 HydrophobicContact CD1-CB 3.53Å; A104-G239 PolarHBondContact N-O 2.89Å; A104-G239 PolarHBondContact O-N 2.98Å
105R92.3Very high71.6Confident43 Ų4362.3 Ų62.316%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-108.4139.4-179.1-71.2176.2177.7-176-3.9111.4D57 N60 I236 L237 E238 D857D57-R105 HydrophobicContact CB-CB 3.81Å; D57-R105 PolarHBondContact N-O 3.23Å; N60-R105 PolarHBondContact OD1-N 3.46Å; R105-I236 HydrophobicContact CB-CG2 3.8Å; R105-I236 HydrophobicContact CG-CG2 3.85Å; R105-L237 CarbonylContact C-O 3.6Å; R105-L237 WeakPolarHBondContact CA-O 3.49Å; R105-E238 HydrophobicContact CG-CB 4.28Å; R105-E238 HydrophobicContact CG-CG 4.06Å; R105-E238 IonicContact CZ-OE2 3.48Å; R105-E238 VanDerWaalsContact CZ-OE2 3.25Å; R105-E238 IonicContact NE-OE2 3.51Å; R105-E238 PolarHBondContact NE-OE2 2.97Å; R105-E238 IonicContact NH2-OE2 2.68Å; R105-E238 PolarHBondContact NH2-OE2 3.45Å; R105-D857 IonicContact NH1-OD1 2.74Å; R105-D857 PolarHBondContact NH1-OD1 2.89Å; R105-D857 IonicContact NH1-OD2 2.84Å; R105-D857 PolarHBondContact NH1-OD2 3.45Å
106L92.3Very high71.4Confident0 Ų065.5 Ų65.50%034%0.338CS..EExtended strand (participates in β ladder)trans-120.1115.7167.9-17180.9000107.9F51 W54 W65 I79 I236 L237F51-L106 HydrophobicContact CG-CD1 4.49Å; W54-L106 HydrophobicContact CB-CD1 4.19Å; W54-L106 HydrophobicContact CB-CD2 3.97Å; W54-L106 HydrophobicContact CB-CG 3.92Å; W54-L106 HydrophobicContact CD2-CD2 4.17Å; W54-L106 HydrophobicContact CE3-CD2 3.86Å; W54-L106 HydrophobicContact CE3-CG 3.97Å; W54-L106 HydrophobicContact CG-CD2 4.24Å; W65-L106 HydrophobicContact CB-CD1 4.22Å; W65-L106 HydrophobicContact CD2-CB 4.45Å; W65-L106 HydrophobicContact CG-CB 4.16Å; W65-L106 HydrophobicContact CG-CD1 4.34Å; I79-L106 HydrophobicContact CD1-CD1 3.72Å; I79-L106 HydrophobicContact CD1-CD2 3.76Å; I79-L106 HydrophobicContact CD1-CG 4.37Å; L106-I236 WeakPolarHBondContact O-CA 3.36Å; L106-L237 HydrophobicContact CB-CB 4.28Å; L106-L237 HydrophobicContact CD2-CD1 4.33Å; L106-L237 PolarHBondContact N-O 2.88Å; L106-L237 PolarHBondContact O-N 2.85Å
107W91.7Very high71.4Confident15 Ų1566.8 Ų66.86%0.05735%0.347CS..EExtended strand (participates in β ladder)trans-95140.4-176.4-6780.2000111.1W54 Q55 D57 H171 K234 I236 D857W54-W107 CarbonylContact C-O 3.56Å; W54-W107 WeakPolarHBondContact CA-O 3.39Å; W54-W107 WeakPolarHBondContact CB-O 3.05Å; W54-W107 VanDerWaalsContact CE3-C 3.44Å; Q55-W107 PolarHBondContact N-O 2.72Å; Q55-W107 PolarHBondContact O-N 2.82Å; D57-W107 PolarHBondContact OD2-NE1 3.01Å; W107-H171 HydrophobicContact CZ3-CB 4.09Å; W107-H171 AromaticContact CZ3-CG 3.99Å; W107-K234 HydrophobicContact CE3-CB 4.21Å; W107-K234 HydrophobicContact CE3-CD 4.08Å; W107-I236 HydrophobicContact CD2-CD1 4.18Å; W107-I236 HydrophobicContact CD2-CG1 4.01Å; W107-I236 HydrophobicContact CD2-CG2 4.37Å; W107-I236 HydrophobicContact CE3-CD1 3.84Å; W107-I236 HydrophobicContact CE3-CG1 3.69Å; W107-I236 HydrophobicContact CH2-CD1 3.45Å; W107-I236 VanDerWaalsContact CH2-CD1 3.45Å; W107-I236 HydrophobicContact CH2-CG1 4.26Å; W107-I236 HydrophobicContact CZ2-CD1 3.81Å; W107-I236 HydrophobicContact CZ3-CD1 3.48Å; W107-I236 VanDerWaalsContact CZ3-CD1 3.48Å; W107-I236 HydrophobicContact CZ3-CG1 3.84Å; W107-D857 HydrophobicContact CH2-CB 4.17Å
108S90.6Very high71.4Confident1 Ų167.2 Ų67.21%0.00735%0.349CS..PPolyproline II helixtrans-78.6168.9171.677.20000112.5L235S108-L235 PolarHBondContact N-O 3.5Å; S108-L235 PolarHBondContact OG-N 2.87Å; S108-L235 PolarHBondContact OG-O 2.85Å
109E85Confident71.3Confident97 Ų9771.4 Ų71.445%0.45337%0.369SS..PPolyproline II helixtrans-61.6160.2157.4-170.3145.8-14000110.7H53 V111H53-E109 HydrophobicContact CB-CB 4.48Å; H53-E109 IonicContact CE1-OE2 3.92Å; H53-E109 IonicContact CG-OE2 2.84Å; H53-E109 IonicContact ND1-OE1 3.61Å; H53-E109 IonicContact ND1-OE2 3.55Å; H53-E109 PolarHBondContact ND1-OE2 2.99Å; E109-V111 PolarHBondContact O-N 2.81Å
110T83.4Confident70.8Confident53 Ų5367.3 Ų67.333%0.32536%0.364SS..PPolyproline II helixtrans-70.6125.6179.3-55.90000110.3D232 K234T110-D232 HydrophobicContact CG2-CB 3.67Å; T110-K234 WeakPolarHBondContact OG1-CE 3.27Å
111V81.6Confident69.7Low3 Ų368 Ų682%0.01838%0.376CS..BIsolated β-bridgetrans-90.4103.2169.6-176.20000108.4L39 L40 E109 P113 L135 D232 Y233L39-V111 HydrophobicContact CD2-CG1 4.45Å; L40-V111 HydrophobicContact CD1-CG2 3.81Å; L40-V111 HydrophobicContact CD2-CG2 4.16Å; L40-V111 HydrophobicContact CG-CG2 4.16Å; E109-V111 PolarHBondContact O-N 2.81Å; V111-P113 WeakPolarHBondContact O-CD 3.4Å; V111-L135 HydrophobicContact CG1-CD1 3.81Å; V111-L135 HydrophobicContact CG1-CG 4.15Å; V111-L135 HydrophobicContact CG2-CD1 3.91Å; V111-D232 WeakPolarHBondContact O-CA 3.43Å; V111-Y233 HydrophobicContact CB-CD1 4.23Å; V111-Y233 HydrophobicContact CB-CD2 4.34Å; V111-Y233 HydrophobicContact CB-CE1 3.96Å; V111-Y233 HydrophobicContact CB-CE2 4.08Å; V111-Y233 HydrophobicContact CB-CG 4.42Å; V111-Y233 WeakPolarHBondContact CB-O 3.12Å; V111-Y233 HydrophobicContact CG1-CD1 4.47Å; V111-Y233 HydrophobicContact CG1-CE1 3.77Å; V111-Y233 HydrophobicContact CG1-CE2 4.37Å; V111-Y233 HydrophobicContact CG2-CE2 4.18Å; V111-Y233 PolarHBondContact N-O 3.5Å; V111-Y233 PolarHBondContact O-N 2.85Å
112E73.6Confident68.6Low143 Ų14372.5 Ų72.567%0.66840%0.395SS*.  trans-76.3118.4168.7-65.7178.7-171.800109.3
113P64.6Low66.8Low17 Ų1782.7 Ų82.711%0.1144%0.435CS..  trans-77.7137.2174.131.9-35.1000111V111 I115 L230V111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-I115 PolarHBondContact O-N 2.94Å; P113-L230 HydrophobicContact CB-CB 3.96Å; P113-L230 HydrophobicContact CB-CD2 3.77Å; P113-L230 HydrophobicContact CB-CG 3.64Å; P113-L230 VanDerWaalsContact CG-C 3.46Å; P113-L230 HydrophobicContact CG-CB 3.81Å; P113-L230 HydrophobicContact CG-CG 3.98Å; P113-L230 WeakPolarHBondContact CG-O 3.42Å
114V57.2Low64.4Low82 Ų8286.9 Ų86.950%0.49745%0.453SS..  trans-68.699.7178.2-177.40000110.9T116 N133V114-T116 PolarHBondContact O-N 3.05Å; V114-N133 HydrophobicContact CG2-CB 3.87Å
115I53Low62.1Low117 Ų11795.2 Ų95.260%0.649%0.492SS*.  trans-74.2105.3170.3-57.6175.8000108.6P113 S117P113-I115 PolarHBondContact O-N 2.94Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 2.85Å
116T45.5Very low59.4Low101 Ų101103.7 Ų103.762%0.6253%0.525SS*.  trans-75.487.5166.355.90000109.2V114 N118V114-T116 PolarHBondContact O-N 3.05Å; T116-N118 PolarHBondContact O-N 2.84Å; T116-N118 VanDerWaalsContact O-N 3.1Å; T116-N118 PolarHBondContact O-OD1 2.68Å
117S43.9Very low56.8Low94 Ų94106.8 Ų106.866%0.65755%0.547SS*.  trans-70.8100.4174.445.10000110.2I115 E119I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 2.85Å; S117-E119 PolarHBondContact O-N 3.08Å
118N43.8Very low54.3Low133 Ų133113 Ų11371%0.71158%0.581SS**THydrogen-bonded Turntrans-75.329.1-171.3-62.9-35.9000114.4T116T116-N118 PolarHBondContact O-N 2.84Å; T116-N118 VanDerWaalsContact O-N 3.1Å; T116-N118 PolarHBondContact O-OD1 2.68Å
119E48.3Very low51.6Low178 Ų178120.3 Ų120.383%0.83262%0.62SS**THydrogen-bonded Turntrans-102.5-1.5-168-61.8-158.3130.100115.3S117S117-E119 PolarHBondContact O-N 3.08Å
120N43.5Very low49.1Very low145 Ų145120 Ų12078%0.77563%0.629SS**  trans-134.888.8172.1-86.1-57.9000111.2D122N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.87Å
121S41.4Very low47Very low102 Ų102121.3 Ų121.371%0.71364%0.638SS**THydrogen-bonded Turntrans-78.53.3-175.859.50000115.7
122D49.4Very low45.3Very low151 Ų151127.5 Ų127.581%0.80767%0.667SS**THydrogen-bonded Turntrans-982.1-171.4-100.3-2.8000115.2N120N120-D122 VanDerWaalsContact C-N 3.26Å; N120-D122 PolarHBondContact O-N 2.87Å
123Y43.2Very low44.3Very low221 Ų221123.9 Ų123.987%0.86765%0.652SS**  trans-127.145.9176.9-84.6-90.2000112.8E125Y123-E125 PolarHBondContact O-N 2.87Å
124M37.8Very low44.3Very low129 Ų129124.6 Ų124.664%0.63566%0.657SS**THydrogen-bonded Turntrans-97.357.8-176.8-82.8-74.8-15700114
125E41.2Very low45.4Very low174 Ų174121 Ų12181%0.81364%0.635SS**THydrogen-bonded Turntrans-136.1-9.9172.3-153.1169.6-179.100115.5Y123Y123-E125 PolarHBondContact O-N 2.87Å
126Y37.6Very low46.8Very low221 Ų221119 Ų11987%0.86762%0.62SS**SBendtrans-109.4-8.6178.4-87-86.5000115.3
127S36.7Very low48.9Very low65 Ų65114.2 Ų114.246%0.45559%0.591SS.*SBendtrans-88.9-12.4-174.245.40000115.1N129S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.8Å
128L39.1Very low51.1Low145 Ų145109.8 Ų109.876%0.75956%0.56SS**THydrogen-bonded Turntrans-73.3-11.4-173.9-100.773.2000115.4
129N33Very low53.4Low156 Ų156104.3 Ų104.383%0.83453%0.53SS*.THydrogen-bonded Turntrans-101.17.2-175.4-75.6-23.5000114.7S127S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.8Å
130S33.2Very low55.4Low91 Ų9195.9 Ų95.964%0.63649%0.491SS*.SBendtrans-107.5107.3171.3-67.60000110.7Q132S130-Q132 PolarHBondContact O-N 3.22Å
131P39.1Very low57.6Low80 Ų8090.9 Ų90.952%0.51946%0.462SS..  trans-75.695.5-174.329.7-34.7000112.2N133P131-N133 PolarHBondContact O-N 2.69Å
132Q46.5Very low59.9Low133 Ų13386.1 Ų86.162%0.62143%0.429SS*.  trans32.176.3161.1-61.6-172.47.100115.4S130 S134 T259S130-Q132 PolarHBondContact O-N 3.22Å; Q132-S134 PolarHBondContact O-N 3.01Å; Q132-T259 WeakPolarHBondContact O-CG2 3.49Å
133N51.6Low61.6Low66 Ų6679.4 Ų79.435%0.35339%0.393SS..  trans-70.832179.2-73.6-6.7000114.6N37 V114 P131N37-N133 PolarHBondContact ND2-OD1 3.19Å; V114-N133 HydrophobicContact CG2-CB 3.87Å; P131-N133 PolarHBondContact O-N 2.69Å
134S65.7Low63.5Low33 Ų3369.5 Ų69.523%0.23135%0.354CS..  trans-83.2116.1163.958.10000109Q132 R136Q132-S134 PolarHBondContact O-N 3.01Å; S134-R136 WeakPolarHBondContact O-CG 3.21Å; S134-R136 PolarHBondContact O-N 2.68Å
135L79.5Confident65.3Low7 Ų766.6 Ų66.64%0.03734%0.339CS..  trans-66.5117173.7-61.5-176.9000110.1L39 L40 V111 L218 T259L39-L135 HydrophobicContact CB-CD1 3.92Å; L39-L135 HydrophobicContact CB-CD2 4.38Å; L40-L135 HydrophobicContact CD1-CD1 4.1Å; L40-L135 HydrophobicContact CG-CD1 4.06Å; V111-L135 HydrophobicContact CG1-CD1 3.81Å; V111-L135 HydrophobicContact CG1-CG 4.15Å; V111-L135 HydrophobicContact CG2-CD1 3.91Å; L135-L218 HydrophobicContact CB-CD1 4Å; L135-T259 HydrophobicContact CD2-CG2 4.47Å
136R83.1Confident66.8Low74 Ų7460.9 Ų60.928%0.27931%0.314SS..  trans-103.4-32.4-174.9-63.6-167.5-173.8-99.84.7113.5S134 Q217 L218 D219 Y258 T259S134-R136 WeakPolarHBondContact O-CG 3.21Å; S134-R136 PolarHBondContact O-N 2.68Å; R136-Q217 CarbonylContact O-C 3.32Å; R136-Q217 WeakPolarHBondContact O-CA 3.39Å; R136-Q217 VanDerWaalsContact O-CD 3.27Å; R136-Q217 PolarHBondContact O-NE2 2.9Å; R136-L218 PolarHBondContact O-N 2.96Å; R136-D219 WeakPolarHBondContact CA-OD1 3.49Å; R136-D219 WeakPolarHBondContact CB-OD2 3.47Å; R136-D219 WeakPolarHBondContact CD-OD2 3.09Å; R136-D219 VanDerWaalsContact CG-OD2 3.26Å; R136-D219 WeakPolarHBondContact CG-OD2 3.49Å; R136-D219 IonicContact NH1-OD2 3.99Å; R136-D219 PolarHBondContact NH1-OD2 2.8Å; R136-D219 VanDerWaalsContact NH1-OD2 3.11Å; R136-Y258 PolarHBondContact N-O 2.89Å; R136-T259 WeakPolarHBondContact CD-O 3.31Å; R136-T259 VanDerWaalsContact CG-O 3.24Å; R136-T259 WeakPolarHBondContact CG-O 3.49Å; R136-T259 PolarHBondContact NE-O 3.05Å
137C88.5Confident68Low0 Ų058.4 Ų58.40%031%0.31CS..EExtended strand (participates in β ladder)trans-131.1144.7178.3-170.40000110.4I216 Y258 E260 C262 L265C137-I216 WeakPolarHBondContact CA-O 3.41Å; C137-Y258 PolarHBondContact N-O 3.33Å; C137-Y258 VanDerWaalsContact N-O 3.14Å; C137-Y258 PolarHBondContact O-N 3.5Å; C137-E260 WeakPolarHBondContact CB-O 3.46Å; C137-C262 HydrophobicContact CB-CB 4.08Å; C137-C262 WeakPolarHBondContact CB-SG 3.49Å; C137-C262 WeakPolarHBondContact SG-CA 3.46Å; C137-C262 WeakPolarHBondContact SG-CB 3.18Å; C137-C262 CovalentContact SG-SG 2.04Å; C137-C262 PolarHBondContact SG-SG 2.99Å; C137-L265 HydrophobicContact CB-CD1 3.99Å
138I91Very high68.8Low1 Ų157.1 Ų57.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-123.2137.1163.3-173.8168.5000109.8L40 L168 F215 I216 L218 L235 I255L40-I138 HydrophobicContact CD1-CD1 4.36Å; I138-L168 HydrophobicContact CG2-CD2 3.93Å; I138-F215 WeakPolarHBondContact O-CA 3.4Å; I138-I216 HydrophobicContact CG2-CB 3.98Å; I138-I216 HydrophobicContact CG2-CD1 4.2Å; I138-I216 PolarHBondContact N-O 3.18Å; I138-I216 PolarHBondContact O-N 2.81Å; I138-L218 HydrophobicContact CB-CD1 4.33Å; I138-L218 HydrophobicContact CG2-CD1 4.37Å; I138-L218 HydrophobicContact CG2-CD2 3.89Å; I138-L218 HydrophobicContact CG2-CG 4.26Å; I138-L235 HydrophobicContact CD1-CD1 3.56Å; I138-L235 HydrophobicContact CG2-CD1 4.35Å; I138-I255 HydrophobicContact CD1-CG2 3.94Å; I138-I255 HydrophobicContact CG1-CG2 4.33Å
139Q91.5Very high69.2Low19 Ų1955.2 Ų55.29%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-114.2145.7173.3-176.9-160.3-58.100109I213 V214 F215 I255 T256 Y258Q139-I213 HydrophobicContact CG-CG2 3.77Å; Q139-V214 WeakPolarHBondContact CA-O 3.43Å; Q139-V214 WeakPolarHBondContact CG-O 3.25Å; Q139-F215 HydrophobicContact CB-CD1 3.99Å; Q139-F215 HydrophobicContact CB-CE1 4.12Å; Q139-F215 HydrophobicContact CG-CD1 3.93Å; Q139-F215 HydrophobicContact CG-CE1 3.69Å; Q139-F215 HydrophobicContact CG-CZ 4.08Å; Q139-I255 CarbonylContact O-C 3.57Å; Q139-I255 WeakPolarHBondContact O-CA 3.17Å; Q139-T256 PolarHBondContact N-O 3.1Å; Q139-T256 PolarHBondContact O-N 3.3Å; Q139-Y258 HydrophobicContact CB-CE2 3.79Å; Q139-Y258 PolarHBondContact OE1-OH 3.09Å
140F91.9Very high69.7Low1 Ų154 Ų540%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-150163.7160.859-95.8000110.3Y142 L166 L168 W195 V214 I216 L237 V252 I255F140-Y142 HydrophobicContact CE2-CD1 4.2Å; F140-Y142 HydrophobicContact CE2-CG 4.33Å; F140-L166 HydrophobicContact CE2-CD2 3.97Å; F140-L168 HydrophobicContact CE1-CD2 4.3Å; F140-W195 HydrophobicContact CE2-CH2 4.4Å; F140-W195 HydrophobicContact CE2-CZ3 4.12Å; F140-W195 AromaticContact CZ-CE3 3.83Å; F140-W195 HydrophobicContact CZ-CE3 3.83Å; F140-W195 HydrophobicContact CZ-CH2 4.27Å; F140-W195 AromaticContact CZ-CZ3 3.67Å; F140-W195 HydrophobicContact CZ-CZ3 3.67Å; F140-V214 HydrophobicContact CD2-CG2 4.46Å; F140-V214 HydrophobicContact CE1-CB 4.49Å; F140-V214 HydrophobicContact CE2-CB 4.19Å; F140-V214 HydrophobicContact CE2-CG2 3.9Å; F140-V214 HydrophobicContact CZ-CB 4.15Å; F140-V214 HydrophobicContact CZ-CG1 4.44Å; F140-V214 HydrophobicContact CZ-CG2 4.2Å; F140-V214 PolarHBondContact N-O 2.87Å; F140-V214 PolarHBondContact O-N 3.17Å; F140-I216 HydrophobicContact CD1-CD1 4.06Å; F140-I216 HydrophobicContact CE1-CD1 3.49Å; F140-I216 VanDerWaalsContact CE1-CD1 3.49Å; F140-I216 HydrophobicContact CZ-CD1 4.25Å; F140-L237 HydrophobicContact CE1-CD2 4.14Å; F140-L237 HydrophobicContact CZ-CD2 4.16Å; F140-V252 HydrophobicContact CB-CG1 4.31Å; F140-V252 HydrophobicContact CD2-CG1 4.21Å; F140-V252 HydrophobicContact CG-CG1 4.49Å; F140-I255 HydrophobicContact CB-CB 4.42Å; F140-I255 HydrophobicContact CB-CG1 3.98Å
141Q89.7Confident70.4Confident39 Ų3953.1 Ų53.118%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-102.7139.1168.8-50.6-164.134.400109W211 Q212 I213 V252 D253 N254Q141-W211 HydrophobicContact CB-CE3 4.06Å; Q141-Q212 CarbonylContact C-O 3.57Å; Q141-Q212 WeakPolarHBondContact CA-O 3.42Å; Q141-I213 HydrophobicContact CG-CG1 4.09Å; Q141-V252 CarbonylContact O-C 3.54Å; Q141-V252 VanDerWaalsContact O-CA 3.31Å; Q141-V252 WeakPolarHBondContact O-CA 3.41Å; Q141-D253 HydrophobicContact CB-CB 4.49Å; Q141-D253 PolarHBondContact N-O 3.4Å; Q141-D253 PolarHBondContact O-N 2.76Å; Q141-N254 HydrophobicContact CG-CB 4.25Å; Q141-N254 PolarHBondContact NE2-ND2 3.43Å
142Y89.8Confident70.6Confident2 Ų255.9 Ų55.91%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-137.3157.3174.385.6-70.3000112.1F140 I144 L166 W195 Q212 V214 C251F140-Y142 HydrophobicContact CE2-CD1 4.2Å; F140-Y142 HydrophobicContact CE2-CG 4.33Å; Y142-I144 HydrophobicContact CD2-CG1 4.34Å; Y142-I144 HydrophobicContact CE2-CD1 4.11Å; Y142-I144 HydrophobicContact CE2-CG1 4.23Å; Y142-L166 HydrophobicContact CD2-CD2 3.91Å; Y142-L166 HydrophobicContact CG-CD2 3.94Å; Y142-W195 HydrophobicContact CD1-CH2 4.17Å; Y142-W195 AromaticContact CE1-CH2 3.74Å; Y142-W195 HydrophobicContact CE1-CH2 3.74Å; Y142-W195 HydrophobicContact CE1-CZ2 4.07Å; Y142-W195 HydrophobicContact CE2-CH2 4.26Å; Y142-W195 AromaticContact CZ-CH2 3.81Å; Y142-Q212 HydrophobicContact CD1-CB 3.93Å; Y142-Q212 HydrophobicContact CE1-CB 3.52Å; Y142-Q212 HydrophobicContact CE1-CG 4.37Å; Y142-Q212 PolarHBondContact N-O 2.8Å; Y142-Q212 PolarHBondContact O-N 3.03Å; Y142-Q212 PolarHBondContact OH-OE1 2.8Å; Y142-V214 HydrophobicContact CD1-CG2 3.53Å; Y142-V214 HydrophobicContact CE1-CG2 3.5Å; Y142-C251 CarbonylContact C-O 3.58Å; Y142-C251 VanDerWaalsContact CA-O 3.26Å; Y142-C251 WeakPolarHBondContact CA-O 3.32Å
143K85Confident70.5Confident11 Ų1153.8 Ų53.85%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-149.7125.2-176.8170.7168.5165.4154.50109.9Q145 S209 W211 C251K143-Q145 HydrophobicContact CD-CG 4.41Å; K143-Q145 VanDerWaalsContact CE-CD 3.48Å; K143-Q145 VanDerWaalsContact CE-NE2 3.32Å; K143-Q145 HydrophobicContact CG-CG 3.98Å; K143-S209 WeakPolarHBondContact CE-O 3.38Å; K143-S209 PolarHBondContact NZ-O 3.33Å; K143-S209 PolarHBondContact NZ-OG 3.09Å; K143-W211 HydrophobicContact CB-CD2 3.64Å; K143-W211 HydrophobicContact CB-CE3 3.43Å; K143-W211 VanDerWaalsContact CB-CE3 3.43Å; K143-W211 HydrophobicContact CB-CG 4.29Å; K143-W211 HydrophobicContact CB-CH2 4.12Å; K143-W211 HydrophobicContact CB-CZ2 4.3Å; K143-W211 HydrophobicContact CB-CZ3 3.69Å; K143-W211 HydrophobicContact CD-CD2 3.82Å; K143-W211 HydrophobicContact CD-CE3 4.44Å; K143-W211 HydrophobicContact CD-CG 4.06Å; K143-W211 HydrophobicContact CD-CZ2 4.06Å; K143-W211 HydrophobicContact CG-CD2 4.4Å; K143-C251 PolarHBondContact N-O 3.45Å; K143-C251 PolarHBondContact O-N 2.72Å
144I83.1Confident70Confident13 Ų1354 Ų547%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-97.8135.1170.9-60.3171.9000107.8Y142 I164 P204 F206 R249Y142-I144 HydrophobicContact CD2-CG1 4.34Å; Y142-I144 HydrophobicContact CE2-CD1 4.11Å; Y142-I144 HydrophobicContact CE2-CG1 4.23Å; I144-I164 HydrophobicContact CD1-CG2 4.12Å; I144-I164 HydrophobicContact CG1-CG2 4.43Å; I144-I164 HydrophobicContact CG2-CB 4.36Å; I144-I164 HydrophobicContact CG2-CD1 4.08Å; I144-I164 HydrophobicContact CG2-CG2 3.91Å; I144-P204 HydrophobicContact CD1-CB 4.49Å; I144-P204 HydrophobicContact CD1-CG 4.18Å; I144-F206 HydrophobicContact CG2-CD1 4.19Å; I144-F206 HydrophobicContact CG2-CE1 4.07Å; I144-R249 WeakPolarHBondContact CA-O 3.48Å
145Q75Confident68.7Low67 Ų6759.2 Ų59.231%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-125.5142.4176.7-54.1-164.7-86.200110.2K143 A248 R249K143-Q145 HydrophobicContact CD-CG 4.41Å; K143-Q145 VanDerWaalsContact CE-CD 3.48Å; K143-Q145 VanDerWaalsContact CE-NE2 3.32Å; K143-Q145 HydrophobicContact CG-CG 3.98Å; Q145-A248 CarbonylContact O-C 3.59Å; Q145-A248 WeakPolarHBondContact O-CA 3.31Å; Q145-R249 PolarHBondContact N-O 2.95Å; Q145-R249 PolarHBondContact O-N 3.12Å
146L72.5Confident66.6Low54 Ų5462 Ų6228%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-123.4126.5167.1-78.9143000107.6I164 F206 Y245 A248L146-I164 HydrophobicContact CD1-CD1 4.17Å; L146-I164 HydrophobicContact CD2-CD1 4.12Å; L146-I164 HydrophobicContact CG-CD1 4.21Å; L146-F206 HydrophobicContact CD1-CB 3.62Å; L146-F206 HydrophobicContact CD1-CD1 3.48Å; L146-F206 VanDerWaalsContact CD1-CD1 3.48Å; L146-F206 HydrophobicContact CD1-CE1 4.37Å; L146-F206 HydrophobicContact CD1-CG 3.76Å; L146-Y245 HydrophobicContact CD2-CD1 3.49Å; L146-Y245 VanDerWaalsContact CD2-CD1 3.49Å; L146-Y245 HydrophobicContact CD2-CE1 4.1Å; L146-Y245 HydrophobicContact CD2-CG 4.29Å; L146-A248 HydrophobicContact CD2-CB 3.86Å; L146-A248 HydrophobicContact CG-CB 4.29Å
147H62.3Low64.4Low169 Ų16966.5 Ų66.578%0.78238%0.375SS*.SBendtrans-89.9-6-173.1-153.777.9000114.6D247H147-D247 HydrophobicContact CB-CB 4.08Å; H147-D247 PolarHBondContact N-O 3.13Å
148D53.5Low61.8Low38 Ų3869.6 Ų69.620%0.20340%0.396CS..  trans-137.2111.2178-159.8-27.2000110.6R92 N150R92-D148 IonicContact CZ-OD2 3.21Å; R92-D148 IonicContact NH1-OD2 2.81Å; R92-D148 PolarHBondContact NH1-OD2 3.13Å; R92-D148 IonicContact NH2-OD2 2.73Å; R92-D148 PolarHBondContact NH2-OD2 2.98Å; D148-N150 PolarHBondContact O-N 3.33Å; D148-N150 WeakPolarHBondContact OD1-CB 3.39Å; D148-N150 PolarHBondContact OD1-N 3.27Å; D148-N150 VanDerWaalsContact OD1-N 3.16Å; D148-N150 PolarHBondContact OD1-ND2 2.9Å
149S48.4Very low59.6Low106 Ų10675.3 Ų75.374%0.74143%0.426SS*.THydrogen-bonded Turntrans-78.36.5-178.761.90000113.8
150N42.6Very low57.3Low131 Ų13181.3 Ų81.370%0.70146%0.458SS*.THydrogen-bonded Turntrans-101.47.6178.2-54-81.3000113.2D148 D152D148-N150 PolarHBondContact O-N 3.33Å; D148-N150 WeakPolarHBondContact OD1-CB 3.39Å; D148-N150 PolarHBondContact OD1-N 3.27Å; D148-N150 VanDerWaalsContact OD1-N 3.16Å; D148-N150 PolarHBondContact OD1-ND2 2.9Å; N150-D152 PolarHBondContact O-N 3.1Å
151V49Very low54.9Low72 Ų7288.4 Ų88.444%0.43650%0.496SS..  trans-83.195.3166.7-175.80000107.6Y245V151-Y245 HydrophobicContact CG1-CD1 4.34Å; V151-Y245 HydrophobicContact CG1-CE1 4.04Å
152D42.1Very low53.3Low138 Ų13887.8 Ų87.874%0.73850%0.498SS*.  trans-52.2129.9167.8-76.6-50.5000109N150N150-D152 PolarHBondContact O-N 3.1Å
153P45.6Very low52.5Low89 Ų8990.1 Ų90.158%0.57851%0.51SS*.  trans-60.1138.617626.1-33.9000108.9T155P153-T155 PolarHBondContact O-N 3.17Å
154P41.3Very low52.3Low69 Ų6989.9 Ų89.945%0.44851%0.509SS..  trans-57.2114-168.821-32.6000111S156 A162 Y245P154-S156 PolarHBondContact O-N 2.79Å; P154-A162 HydrophobicContact CG-CB 4.14Å; P154-Y245 VanDerWaalsContact CD-OH 3.28Å; P154-Y245 WeakPolarHBondContact CD-OH 3.47Å
155T36.8Very low52.4Low143 Ų14390.9 Ų90.988%0.87752%0.515SS*.  trans-77.959.1-172.448.50000112.1P153P153-T155 PolarHBondContact O-N 3.17Å
156S36.3Very low53.2Low66 Ų6687.7 Ų87.746%0.46250%0.5SS..SBendtrans-139.6139.2176.9540000110.3P154 S158P154-S156 PolarHBondContact O-N 2.79Å; S156-S158 PolarHBondContact O-N 2.75Å
157N36.6Very low54.2Low169 Ų16985.7 Ų85.790%0.90449%0.491SS*.SBendtrans-76.947.1-171.1-57.1-20.8000113.5
158S34Very low55.6Low65 Ų6577.7 Ų77.746%0.45545%0.454SS..  trans-121.857.3179.959.90000109.4S156 D160S156-S158 PolarHBondContact O-N 2.75Å; S158-D160 VanDerWaalsContact C-N 3.29Å; S158-D160 PolarHBondContact O-N 3.02Å
159I43.9Very low57.4Low121 Ų12176.5 Ų76.562%0.62145%0.447SS*.G310 helixtrans-66.9-30.5-162.4-63.9173.8000112N161I159-N161 PolarHBondContact O-N 2.81Å
160D43Very low59.4Low145 Ų14573.4 Ų73.478%0.77542%0.42SS*.G310 helixtrans-73.8-21-168.1-45.6-52.3000114.6S158S158-D160 VanDerWaalsContact C-N 3.29Å; S158-D160 PolarHBondContact O-N 3.02Å
161N42.8Very low61.6Low149 Ų14968.3 Ų68.380%0.79739%0.392SS*.G310 helixtrans-107.5-0.7-174.2-74.8-15.1000114.4I159I159-N161 PolarHBondContact O-N 2.81Å
162A55.2Low63.2Low26 Ų2666 Ų6622%0.21538%0.379CS..SBendtrans-107.46.9-169.200000114.6P154 P242P154-A162 HydrophobicContact CG-CB 4.14Å; A162-P242 WeakPolarHBondContact O-CG 3.35Å
163L73.2Confident64.9Low52 Ų5262.5 Ų62.527%0.27236%0.363SS..SBendtrans-98.2140.6-172.2-66.2169.8000112.8N165 V198 F206L163-N165 PolarHBondContact O-N 3.03Å; L163-V198 HydrophobicContact CB-CG2 4.13Å; L163-V198 HydrophobicContact CD1-CG1 3.86Å; L163-V198 HydrophobicContact CD1-CG2 4.41Å; L163-F206 HydrophobicContact CD2-CZ 4.5Å
164I80.3Confident66.1Low5 Ų562 Ų623%0.02637%0.374CS..  trans-69.9124.5168.2-59.7159.2000107.8I144 L146 F206 I241 A248 I250I144-I164 HydrophobicContact CD1-CG2 4.12Å; I144-I164 HydrophobicContact CG1-CG2 4.43Å; I144-I164 HydrophobicContact CG2-CB 4.36Å; I144-I164 HydrophobicContact CG2-CD1 4.08Å; I144-I164 HydrophobicContact CG2-CG2 3.91Å; L146-I164 HydrophobicContact CD1-CD1 4.17Å; L146-I164 HydrophobicContact CD2-CD1 4.12Å; L146-I164 HydrophobicContact CG-CD1 4.21Å; I164-F206 HydrophobicContact CD1-CE1 4.25Å; I164-I241 HydrophobicContact CG2-CG1 4.16Å; I164-A248 HydrophobicContact CD1-CB 3.67Å; I164-A248 HydrophobicContact CG1-CB 4.49Å; I164-I250 HydrophobicContact CG2-CD1 3.65Å; I164-I250 HydrophobicContact CG2-CG1 3.6Å
165N87Confident67.5Low34 Ų3460.9 Ų60.918%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-128.7134-171.4-177.222.5000111.6L163 S167 S196 S197 V198 T240 I250L163-N165 PolarHBondContact O-N 3.03Å; N165-S167 PolarHBondContact ND2-OG 2.92Å; N165-S167 VanDerWaalsContact ND2-OG 3.09Å; N165-S196 PolarHBondContact OD1-OG 2.84Å; N165-S197 PolarHBondContact OD1-OG 2.86Å; N165-V198 HydrophobicContact CB-CG2 3.79Å; N165-T240 PolarHBondContact N-O 2.93Å; N165-T240 PolarHBondContact O-N 3.1Å; N165-I250 WeakPolarHBondContact O-CD1 3.35Å
166L91.4Very high69.5Low0 Ų055.4 Ų55.40%034%0.338CS..EExtended strand (participates in β ladder)trans-110.9121.2161.3179.862000108.4W65 F140 Y142 W195 S196 S197 L237 I250 V252W65-L166 HydrophobicContact CH2-CD1 3.97Å; W65-L166 HydrophobicContact CZ2-CD1 4.17Å; F140-L166 HydrophobicContact CE2-CD2 3.97Å; Y142-L166 HydrophobicContact CD2-CD2 3.91Å; Y142-L166 HydrophobicContact CG-CD2 3.94Å; L166-W195 HydrophobicContact CB-CZ3 4.31Å; L166-W195 HydrophobicContact CD2-CZ3 4.34Å; L166-W195 HydrophobicContact CG-CZ3 4.16Å; L166-W195 WeakPolarHBondContact O-CZ3 3.35Å; L166-S196 CarbonylContact O-C 3.59Å; L166-S196 WeakPolarHBondContact O-CA 3.41Å; L166-S197 PolarHBondContact N-OG 2.8Å; L166-S197 PolarHBondContact O-N 3.38Å; L166-L237 HydrophobicContact CD1-CD2 4.24Å; L166-I250 HydrophobicContact CB-CG2 4.06Å; L166-I250 HydrophobicContact CD1-CG2 4.25Å; L166-I250 HydrophobicContact CD2-CG2 4.16Å; L166-I250 HydrophobicContact CG-CG2 4.39Å; L166-V252 HydrophobicContact CD2-CG2 3.69Å
167S92.1Very high71.4Confident13 Ų1357.7 Ų57.79%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-111.2145175.7-62.20000111N165 W195 E238N165-S167 PolarHBondContact ND2-OG 2.92Å; N165-S167 VanDerWaalsContact ND2-OG 3.09Å; S167-W195 CarbonylContact C-O 3.07Å; S167-W195 WeakPolarHBondContact CA-O 3.32Å; S167-E238 PolarHBondContact N-O 2.96Å; S167-E238 PolarHBondContact O-N 3.41Å
168L93.2Very high73.3Confident1 Ų160.7 Ų60.71%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-107124164.9-173.272.1000108.6I138 F140 I194 W195 I216 L235 I236 L237I138-L168 HydrophobicContact CG2-CD2 3.93Å; F140-L168 HydrophobicContact CE1-CD2 4.3Å; L168-I194 HydrophobicContact CB-CG1 4.18Å; L168-I194 HydrophobicContact CD2-CD1 3.59Å; L168-I194 HydrophobicContact CD2-CG1 3.94Å; L168-I194 HydrophobicContact CG-CD1 3.89Å; L168-I194 HydrophobicContact CG-CG1 3.89Å; L168-I194 VanDerWaalsContact O-CG1 3.25Å; L168-I194 WeakPolarHBondContact O-CG1 3.16Å; L168-I194 PolarHBondContact O-N 3.32Å; L168-W195 HydrophobicContact CB-CB 4.19Å; L168-W195 PolarHBondContact N-O 2.87Å; L168-W195 PolarHBondContact O-N 3.38Å; L168-W195 VanDerWaalsContact O-N 3.16Å; L168-I216 HydrophobicContact CD2-CB 4.35Å; L168-I216 HydrophobicContact CD2-CD1 4.04Å; L168-I216 HydrophobicContact CD2-CG1 4.12Å; L168-I216 HydrophobicContact CD2-CG2 4.42Å; L168-L235 HydrophobicContact CD1-CB 4.32Å; L168-I236 WeakPolarHBondContact CA-O 3.26Å; L168-L237 HydrophobicContact CD1-CD2 3.72Å; L168-L237 HydrophobicContact CD1-CG 3.98Å
169L91.7Very high75.5Confident13 Ų1360.3 Ų60.37%0.06834%0.338CS..EExtended strand (participates in β ladder)trans-114.1152.8178.1-40.4176.2000110.2N191 K192 P193 L235 I236 E238L169-N191 HydrophobicContact CB-CB 4.21Å; L169-N191 HydrophobicContact CD1-CB 4.04Å; L169-K192 CarbonylContact C-O 3.59Å; L169-K192 WeakPolarHBondContact CA-O 3.29Å; L169-P193 HydrophobicContact CD2-CB 3.87Å; L169-L235 CarbonylContact O-C 3.58Å; L169-L235 WeakPolarHBondContact O-CA 3.08Å; L169-I236 HydrophobicContact CB-CB 4.14Å; L169-I236 HydrophobicContact CB-CD1 4.41Å; L169-I236 HydrophobicContact CB-CG1 4.47Å; L169-I236 HydrophobicContact CD1-CD1 4.44Å; L169-I236 PolarHBondContact N-O 3.49Å; L169-I236 PolarHBondContact O-N 2.91Å; L169-E238 HydrophobicContact CD1-CB 4.23Å
170K89.7Confident77.3Confident40 Ų4059.8 Ų59.817%0.17434%0.341CS..EExtended strand (participates in β ladder)trans-114.4125.8169.2172.7165.6169.8152.20109.8S172 K192 I194 Y233 L235K170-S172 WeakPolarHBondContact CE-OG 3.31Å; K170-K192 PolarHBondContact N-O 3.28Å; K170-K192 PolarHBondContact O-N 3.34Å; K170-I194 HydrophobicContact CB-CD1 4.32Å; K170-I194 HydrophobicContact CB-CG2 4.17Å; K170-Y233 HydrophobicContact CD-CD2 3.75Å; K170-Y233 HydrophobicContact CD-CE2 4.21Å; K170-Y233 HydrophobicContact CD-CG 4.03Å; K170-Y233 HydrophobicContact CG-CD2 3.96Å; K170-Y233 HydrophobicContact CG-CG 4.28Å; K170-Y233 VanDerWaalsContact NZ-CE1 3.32Å; K170-Y233 VanDerWaalsContact NZ-CG 3.28Å; K170-L235 HydrophobicContact CB-CD2 4.09Å; K170-L235 HydrophobicContact CG-CD2 4.43Å
171H87.7Confident78.6Confident25 Ų2558.1 Ų58.112%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-108.9106.8173.2179.399.8000108.4W107 N191 Y233 K234 I236W107-H171 HydrophobicContact CZ3-CB 4.09Å; W107-H171 AromaticContact CZ3-CG 3.99Å; H171-N191 WeakPolarHBondContact CB-OD1 3.43Å; H171-N191 PolarHBondContact ND1-OD1 2.84Å; H171-Y233 CarbonylContact O-C 3.56Å; H171-Y233 WeakPolarHBondContact O-CA 3.36Å; H171-Y233 WeakPolarHBondContact O-CB 3.2Å; H171-K234 PolarHBondContact N-O 2.87Å; H171-K234 PolarHBondContact O-N 2.83Å; H171-I236 HydrophobicContact CB-CD1 4.18Å
172S84.2Confident80.3Confident22 Ų2259.6 Ų59.615%0.15432%0.319CS..EExtended strand (participates in β ladder)trans-89.2139.2175.3-91.20000110.7K170 A175 S231 D232K170-S172 WeakPolarHBondContact CE-OG 3.31Å; S172-A175 VanDerWaalsContact O-CB 3.28Å; S172-A175 WeakPolarHBondContact O-CB 3.35Å; S172-A175 PolarHBondContact O-N 2.97Å; S172-S231 PolarHBondContact OG-OG 2.84Å; S172-D232 WeakPolarHBondContact CA-O 3.17Å
173T77.1Confident81.5Confident66 Ų6661 Ų6141%0.40534%0.336SS..THydrogen-bonded Turntrans-60.5139.1171.155.90000110A175 D232T173-A175 PolarHBondContact O-N 2.87Å; T173-D232 HydrophobicContact CG2-CB 3.95Å; T173-D232 PolarHBondContact N-O 2.94Å; T173-D232 PolarHBondContact OG1-N 3.31Å; T173-D232 PolarHBondContact OG1-O 2.82Å; T173-D232 VanDerWaalsContact OG1-O 3.13Å
174G71.8Confident81.7Confident78 Ų7864.1 Ų64.180%0.80435%0.353SS*.THydrogen-bonded Turntrans74.6-2.7-175.400000116C176G174-C176 PolarHBondContact O-N 3.23Å
175A70.6Confident81.7Confident46 Ų4669.7 Ų69.738%0.3839%0.39SS..  trans-79.647.9174.800000112.5S172 T173 A190S172-A175 VanDerWaalsContact O-CB 3.28Å; S172-A175 WeakPolarHBondContact O-CB 3.35Å; S172-A175 PolarHBondContact O-N 2.97Å; T173-A175 PolarHBondContact O-N 2.87Å; A175-A190 PolarHBondContact O-N 3.48Å
176C78.1Confident81.2Confident28 Ų2868.7 Ų68.719%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-131.2116.2-172.1-49.80000111.7G174 V187 V188 C189G174-C176 PolarHBondContact O-N 3.23Å; C176-V187 HydrophobicContact CB-CG1 3.53Å; C176-V188 CarbonylContact C-O 3.52Å; C176-V188 WeakPolarHBondContact CA-O 3.38Å; C176-C189 HydrophobicContact CB-CB 3.97Å; C176-C189 WeakPolarHBondContact CB-SG 3.44Å; C176-C189 VanDerWaalsContact SG-CA 3.55Å; C176-C189 WeakPolarHBondContact SG-CB 3.4Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.04Å
177D76.1Confident80.5Confident114 Ų11470.9 Ų70.961%0.6140%0.4SS*.EExtended strand (participates in β ladder)trans-82.5136.7-179.7-74.3-47.1000111.1V179 V188D177-V179 HydrophobicContact CB-CG1 4.27Å; D177-V179 PolarHBondContact O-N 3.43Å; D177-V188 PolarHBondContact N-O 2.85Å; D177-V188 PolarHBondContact O-N 3.19Å
178R76.1Confident79.7Confident232 Ų23272.4 Ų72.488%0.87541%0.408SS*.EExtended strand (participates in β ladder)trans-81.2110.4168.1-70.5-175178.5-169.90109.2V187R178-V187 HydrophobicContact CG-CG2 4.38Å
179V80.8Confident79Confident56 Ų5672.6 Ų72.634%0.33941%0.409SS..EExtended strand (participates in β ladder)trans-114.5166.1178.5-58.60000110.5D177 A186 V188D177-V179 HydrophobicContact CB-CG1 4.27Å; D177-V179 PolarHBondContact O-N 3.43Å; V179-A186 HydrophobicContact CG2-CB 4.17Å; V179-A186 PolarHBondContact N-O 2.88Å; V179-A186 PolarHBondContact O-N 2.88Å; V179-V188 HydrophobicContact CG2-CB 4.2Å; V179-V188 HydrophobicContact CG2-CG2 3.56Å
180T80.5Confident78.3Confident111 Ų11175 Ų7568%0.68143%0.431SS*.EExtended strand (participates in β ladder)trans-109.4113.2170.9-53.20000109.2G183 D184T180-G183 VanDerWaalsContact CG2-C 3.44Å; T180-G183 WeakPolarHBondContact CG2-O 3.43Å; T180-D184 CarbonylContact C-O 3.55Å; T180-D184 WeakPolarHBondContact CA-O 3.48Å
181Y70.6Confident78.2Confident110 Ų11074.6 Ų74.643%0.43143%0.431SS..EExtended strand (participates in β ladder)trans-110.3122.8-179.1-171.5-94.9000110.5G183 D184Y181-G183 PolarHBondContact O-N 2.73Å; Y181-D184 PolarHBondContact N-O 3.06Å; Y181-D184 PolarHBondContact O-N 3.13Å
182R78.8Confident78.2Confident179 Ų17977.6 Ų77.668%0.67544%0.444SS*.THydrogen-bonded Turntrans53.35.4-171.8-64.7-174-168.9-165.35.3116.3E849R182-E849 IonicContact CZ-OE1 3.73Å; R182-E849 IonicContact NH1-OE1 3.84Å; R182-E849 IonicContact NH2-OE1 2.72Å; R182-E849 PolarHBondContact NH2-OE1 3.43Å
183G81.7Confident78.3Confident57 Ų5781 Ų8159%0.58847%0.466SS*.THydrogen-bonded Turntrans122.9-22-178.900000112.9T180 Y181T180-G183 VanDerWaalsContact CG2-C 3.44Å; T180-G183 WeakPolarHBondContact CG2-O 3.43Å; Y181-G183 PolarHBondContact O-N 2.73Å
184D77.2Confident78.9Confident116 Ų11680.2 Ų80.262%0.6246%0.458SS*.EExtended strand (participates in β ladder)trans-89.3146.6-179.4-61.8-55.5000111.8T180 Y181 A186T180-D184 CarbonylContact C-O 3.55Å; T180-D184 WeakPolarHBondContact CA-O 3.48Å; Y181-D184 PolarHBondContact N-O 3.06Å; Y181-D184 PolarHBondContact O-N 3.13Å; D184-A186 PolarHBondContact O-N 2.99Å
185P80Confident79.8Confident122 Ų12278.7 Ų78.779%0.79243%0.428SS*.EExtended strand (participates in β ladder)trans-7012317229.5-33.1000110.3
186A75.2Confident80.6Confident13 Ų1377.2 Ų77.211%0.10742%0.415CS..EExtended strand (participates in β ladder)trans-123.7152.5176.700000110.5V179 D184V179-A186 HydrophobicContact CG2-CB 4.17Å; V179-A186 PolarHBondContact N-O 2.88Å; V179-A186 PolarHBondContact O-N 2.88Å; D184-A186 PolarHBondContact O-N 2.99Å
187V76.6Confident81Confident47 Ų4775.9 Ų75.929%0.28541%0.406SS..EExtended strand (participates in β ladder)trans-104.5127.5172.4178.30000107.9C176 R178C176-V187 HydrophobicContact CB-CG1 3.53Å; R178-V187 HydrophobicContact CG-CG2 4.38Å
188V75.5Confident81Confident45 Ų4573.3 Ų73.327%0.27340%0.395SS..EExtended strand (participates in β ladder)trans-118.3104.8179.4164.50000108.8C176 D177 V179C176-V188 CarbonylContact C-O 3.52Å; C176-V188 WeakPolarHBondContact CA-O 3.38Å; D177-V188 PolarHBondContact N-O 2.85Å; D177-V188 PolarHBondContact O-N 3.19Å; V179-V188 HydrophobicContact CG2-CB 4.2Å; V179-V188 HydrophobicContact CG2-CG2 3.56Å
189C80.1Confident80.4Confident4 Ų468.6 Ų68.63%0.02739%0.387CS..EExtended strand (participates in β ladder)trans-84.7124.6173.9-61.80000110.8C176 G855 D857 E858C176-C189 HydrophobicContact CB-CB 3.97Å; C176-C189 WeakPolarHBondContact CB-SG 3.44Å; C176-C189 VanDerWaalsContact SG-CA 3.55Å; C176-C189 WeakPolarHBondContact SG-CB 3.4Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.04Å; C189-G855 PolarHBondContact N-O 2.79Å; C189-D857 HydrophobicContact CB-CB 4.46Å; C189-E858 VanDerWaalsContact SG-CG 3.51Å
190A76.9Confident79.4Confident64 Ų6467 Ų6753%0.52938%0.378SS..  trans-99.6108.7-177.300000111.6A175 K192A175-A190 PolarHBondContact O-N 3.48Å; A190-K192 PolarHBondContact O-N 3.15Å
191N86.6Confident77.8Confident31 Ų3170.2 Ų70.217%0.16639%0.391CS..  trans-72.8117.8174.8-57.6-39.7000110L169 H171 P193 I236 D857L169-N191 HydrophobicContact CB-CB 4.21Å; L169-N191 HydrophobicContact CD1-CB 4.04Å; H171-N191 WeakPolarHBondContact CB-OD1 3.43Å; H171-N191 PolarHBondContact ND1-OD1 2.84Å; N191-P193 VanDerWaalsContact O-CD 3.31Å; N191-P193 WeakPolarHBondContact O-CD 3.3Å; N191-I236 HydrophobicContact CB-CD1 4.41Å; N191-D857 PolarHBondContact ND2-OD2 2.9Å
192K86.9Confident76.8Confident88 Ų8867.8 Ų67.838%0.38339%0.39SS..EExtended strand (participates in β ladder)trans-76.7114.8179179.6178.8173.9-1760109.6L169 K170 A190 I194 Q220L169-K192 CarbonylContact C-O 3.59Å; L169-K192 WeakPolarHBondContact CA-O 3.29Å; K170-K192 PolarHBondContact N-O 3.28Å; K170-K192 PolarHBondContact O-N 3.34Å; A190-K192 PolarHBondContact O-N 3.15Å; K192-I194 HydrophobicContact CG-CG2 4.34Å; K192-I194 PolarHBondContact O-N 3.14Å; K192-Q220 PolarHBondContact NZ-O 3.3Å
193P87.3Confident75.6Confident95 Ų9565.4 Ų65.462%0.61739%0.39SS*.EExtended strand (participates in β ladder)trans-66.6133.4172.128.2-33.4000110L169 N191L169-P193 HydrophobicContact CD2-CB 3.87Å; N191-P193 VanDerWaalsContact O-CD 3.31Å; N191-P193 WeakPolarHBondContact O-CD 3.3Å
194I88.8Confident74.3Confident48 Ų4863.3 Ų63.325%0.24637%0.366CS..EExtended strand (participates in β ladder)trans-120.2-20.1178.958.4169.5000113.5L168 K170 K192 I216 L218 L235L168-I194 HydrophobicContact CB-CG1 4.18Å; L168-I194 HydrophobicContact CD2-CD1 3.59Å; L168-I194 HydrophobicContact CD2-CG1 3.94Å; L168-I194 HydrophobicContact CG-CD1 3.89Å; L168-I194 HydrophobicContact CG-CG1 3.89Å; L168-I194 VanDerWaalsContact O-CG1 3.25Å; L168-I194 WeakPolarHBondContact O-CG1 3.16Å; L168-I194 PolarHBondContact O-N 3.32Å; K170-I194 HydrophobicContact CB-CD1 4.32Å; K170-I194 HydrophobicContact CB-CG2 4.17Å; K192-I194 HydrophobicContact CG-CG2 4.34Å; K192-I194 PolarHBondContact O-N 3.14Å; I194-I216 HydrophobicContact CB-CG2 4.47Å; I194-I216 HydrophobicContact CD1-CG2 4.18Å; I194-I216 HydrophobicContact CG1-CG2 4.4Å; I194-L218 HydrophobicContact CD1-CD2 3.86Å; I194-L235 HydrophobicContact CD1-CD2 4.05Å
195W91.1Very high73.1Confident46 Ų4661.1 Ų61.117%0.17436%0.355CS..EExtended strand (participates in β ladder)trans-156.3157.1170.1178.786.9000112F140 Y142 L166 S167 L168 V214 I216F140-W195 HydrophobicContact CE2-CH2 4.4Å; F140-W195 HydrophobicContact CE2-CZ3 4.12Å; F140-W195 AromaticContact CZ-CE3 3.83Å; F140-W195 HydrophobicContact CZ-CE3 3.83Å; F140-W195 HydrophobicContact CZ-CH2 4.27Å; F140-W195 AromaticContact CZ-CZ3 3.67Å; F140-W195 HydrophobicContact CZ-CZ3 3.67Å; Y142-W195 HydrophobicContact CD1-CH2 4.17Å; Y142-W195 AromaticContact CE1-CH2 3.74Å; Y142-W195 HydrophobicContact CE1-CH2 3.74Å; Y142-W195 HydrophobicContact CE1-CZ2 4.07Å; Y142-W195 HydrophobicContact CE2-CH2 4.26Å; Y142-W195 AromaticContact CZ-CH2 3.81Å; L166-W195 HydrophobicContact CB-CZ3 4.31Å; L166-W195 HydrophobicContact CD2-CZ3 4.34Å; L166-W195 HydrophobicContact CG-CZ3 4.16Å; L166-W195 WeakPolarHBondContact O-CZ3 3.35Å; S167-W195 CarbonylContact C-O 3.07Å; S167-W195 WeakPolarHBondContact CA-O 3.32Å; L168-W195 HydrophobicContact CB-CB 4.19Å; L168-W195 PolarHBondContact N-O 2.87Å; L168-W195 PolarHBondContact O-N 3.38Å; L168-W195 VanDerWaalsContact O-N 3.16Å; W195-V214 HydrophobicContact CD2-CG1 3.98Å; W195-V214 VanDerWaalsContact CE2-CG1 3.5Å; W195-V214 HydrophobicContact CG-CG1 4.25Å; W195-V214 HydrophobicContact CH2-CG2 3.91Å; W195-V214 HydrophobicContact CZ2-CB 4.42Å; W195-V214 HydrophobicContact CZ2-CG1 3.83Å; W195-V214 HydrophobicContact CZ2-CG2 3.65Å; W195-I216 HydrophobicContact CB-CG1 3.82Å; W195-I216 HydrophobicContact CB-CG2 4.42Å; W195-I216 HydrophobicContact CG-CG1 4.04Å
196S88.2Confident72Confident15 Ų1558.4 Ų58.411%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-152.4141.5170.5160.30000111.9N165 L166 V198 N199N165-S196 PolarHBondContact OD1-OG 2.84Å; L166-S196 CarbonylContact O-C 3.59Å; L166-S196 WeakPolarHBondContact O-CA 3.41Å; S196-V198 PolarHBondContact O-N 3.4Å; S196-V198 PolarHBondContact OG-N 3.34Å; S196-N199 PolarHBondContact O-N 2.84Å; S196-N199 VanDerWaalsContact O-N 3.13Å
197S85.3Confident70.7Confident1 Ų164.4 Ų64.41%0.00736%0.36CS..THydrogen-bonded Turntrans-70.2-6.417874.10000115.1N165 L166 S200N165-S197 PolarHBondContact OD1-OG 2.86Å; L166-S197 PolarHBondContact N-OG 2.8Å; L166-S197 PolarHBondContact O-N 3.38Å; S197-S200 PolarHBondContact O-OG 2.74Å; S197-S200 VanDerWaalsContact O-OG 3.06Å
198V77.5Confident69.6Low60 Ų6067.8 Ų67.836%0.36437%0.373SS..THydrogen-bonded Turntrans-84.6-27.5171.8175.90000110.7L163 N165 S196L163-V198 HydrophobicContact CB-CG2 4.13Å; L163-V198 HydrophobicContact CD1-CG1 3.86Å; L163-V198 HydrophobicContact CD1-CG2 4.41Å; N165-V198 HydrophobicContact CB-CG2 3.79Å; S196-V198 PolarHBondContact O-N 3.4Å; S196-V198 PolarHBondContact OG-N 3.34Å
199N63.6Low69.2Low133 Ų13368.4 Ų68.471%0.71138%0.379SS*.SBendtrans-94.1-2.2-178.7-65.8-22.6000113.3S196S196-N199 PolarHBondContact O-N 2.84Å; S196-N199 VanDerWaalsContact O-N 3.13Å
200S58.1Low68.8Low22 Ų2273 Ų7315%0.15440%0.403CS..SBendtrans-73.6127.6171.848.90000110.5S197 S202 L203S197-S200 PolarHBondContact O-OG 2.74Å; S197-S200 VanDerWaalsContact O-OG 3.06Å; S200-S202 CarbonylContact O-C 3.14Å; S200-S202 PolarHBondContact O-N 2.89Å; S200-S202 PolarHBondContact OG-O 3.46Å; S200-L203 PolarHBondContact O-N 3.16Å
201N47.4Very low69.2Low178 Ų17872.9 Ų72.995%0.95239%0.389SS*.SBendtrans-56-22177.8-66.9-37.8000113.2L203N201-L203 PolarHBondContact O-N 3.05Å
202S50.9Low69.1Low60 Ų6073.4 Ų73.442%0.4239%0.39SS..SBendtrans-76.186.2157.247.60000110.7S200 P204 Q212S200-S202 CarbonylContact O-C 3.14Å; S200-S202 PolarHBondContact O-N 2.89Å; S200-S202 PolarHBondContact OG-O 3.46Å; S202-P204 WeakPolarHBondContact O-CD 3.24Å; S202-P204 VanDerWaalsContact O-N 3.16Å; S202-Q212 PolarHBondContact OG-OE1 2.91Å
203L52.4Low69.1Low128 Ų12872.9 Ų72.967%0.6739%0.391SS*.  trans-51.3120.1154.9-114.9157.5000106.8S200 N201 D205S200-L203 PolarHBondContact O-N 3.16Å; N201-L203 PolarHBondContact O-N 3.05Å; L203-D205 PolarHBondContact O-N 3.24Å
204P53.9Low69.1Low14 Ų1469 Ų699%0.09137%0.365CS..  trans-61.6123.3-176.423.3-33.7000109.6I144 S202 F206I144-P204 HydrophobicContact CD1-CB 4.49Å; I144-P204 HydrophobicContact CD1-CG 4.18Å; S202-P204 WeakPolarHBondContact O-CD 3.24Å; S202-P204 VanDerWaalsContact O-N 3.16Å; P204-F206 VanDerWaalsContact C-N 3.27Å; P204-F206 HydrophobicContact CB-CE1 4.43Å; P204-F206 HydrophobicContact CG-CD1 4.44Å; P204-F206 HydrophobicContact CG-CE1 3.81Å; P204-F206 HydrophobicContact CG-CE2 4.33Å; P204-F206 HydrophobicContact CG-CZ 3.75Å; P204-F206 WeakPolarHBondContact O-CD2 3.36Å; P204-F206 PolarHBondContact O-N 3.35Å
205D52.8Low69.1Low70 Ų7069.7 Ų69.737%0.37437%0.367SS..  trans-69.393170.7-177.3-4.1000108.4L203 N207 Q208L203-D205 PolarHBondContact O-N 3.24Å; D205-N207 PolarHBondContact O-N 3.25Å; D205-N207 WeakPolarHBondContact OD1-CB 3.16Å; D205-N207 PolarHBondContact OD1-N 3.17Å; D205-N207 PolarHBondContact OD1-ND2 2.78Å; D205-Q208 HydrophobicContact CB-CB 4.27Å; D205-Q208 CarbonylContact O-C 3.44Å; D205-Q208 PolarHBondContact O-N 2.98Å; D205-Q208 WeakPolarHBondContact OD2-CG 3.34Å; D205-Q208 PolarHBondContact OD2-NE2 3.41Å
206F56.7Low69Low65 Ų6568 Ų6829%0.28536%0.361SS..THydrogen-bonded Turntrans-54.8-19.3-178.7-68.8-62.1000113.9I144 L146 L163 I164 P204I144-F206 HydrophobicContact CG2-CD1 4.19Å; I144-F206 HydrophobicContact CG2-CE1 4.07Å; L146-F206 HydrophobicContact CD1-CB 3.62Å; L146-F206 HydrophobicContact CD1-CD1 3.48Å; L146-F206 VanDerWaalsContact CD1-CD1 3.48Å; L146-F206 HydrophobicContact CD1-CE1 4.37Å; L146-F206 HydrophobicContact CD1-CG 3.76Å; L163-F206 HydrophobicContact CD2-CZ 4.5Å; I164-F206 HydrophobicContact CD1-CE1 4.25Å; P204-F206 VanDerWaalsContact C-N 3.27Å; P204-F206 HydrophobicContact CB-CE1 4.43Å; P204-F206 HydrophobicContact CG-CD1 4.44Å; P204-F206 HydrophobicContact CG-CE1 3.81Å; P204-F206 HydrophobicContact CG-CE2 4.33Å; P204-F206 HydrophobicContact CG-CZ 3.75Å; P204-F206 WeakPolarHBondContact O-CD2 3.36Å; P204-F206 PolarHBondContact O-N 3.35Å
207N48.9Very low69Low138 Ų13869.4 Ų69.474%0.73837%0.366SS*.THydrogen-bonded Turntrans-87-21.9175.6-54.1-72.7000113.2D205D205-N207 PolarHBondContact O-N 3.25Å; D205-N207 WeakPolarHBondContact OD1-CB 3.16Å; D205-N207 PolarHBondContact OD1-N 3.17Å; D205-N207 PolarHBondContact OD1-ND2 2.78Å
208Q53.5Low68.9Low118 Ų11870.2 Ų70.255%0.55137%0.37SS*.SBendtrans-112.197.7-179.6-68-169.984.700109.8D205 I210D205-Q208 HydrophobicContact CB-CB 4.27Å; D205-Q208 CarbonylContact O-C 3.44Å; D205-Q208 PolarHBondContact O-N 2.98Å; D205-Q208 WeakPolarHBondContact OD2-CG 3.34Å; D205-Q208 PolarHBondContact OD2-NE2 3.41Å; Q208-I210 HydrophobicContact CB-CD1 3.76Å; Q208-I210 HydrophobicContact CB-CG1 4.09Å; Q208-I210 PolarHBondContact O-N 2.96Å
209S65.5Low68.6Low58 Ų5870 Ų7041%0.40637%0.367SS..  trans-72.666.2-176.881.20000113.1K143K143-S209 WeakPolarHBondContact CE-O 3.38Å; K143-S209 PolarHBondContact NZ-O 3.33Å; K143-S209 PolarHBondContact NZ-OG 3.09Å
210I73.3Confident68.1Low102 Ų10270.4 Ų70.452%0.52336%0.364SS..  trans-92.6141.6-176.4-66169000109.2Q208Q208-I210 HydrophobicContact CB-CD1 3.76Å; Q208-I210 HydrophobicContact CB-CG1 4.09Å; Q208-I210 PolarHBondContact O-N 2.96Å
211W83.8Confident67.6Low61 Ų6176 Ų7623%0.23139%0.388CS..  trans-75.4127.6168.8-72.9107.2000110M70 I78 Q141 K143 C251 D253M70-W211 HydrophobicContact SD-CZ2 3.89Å; I78-W211 HydrophobicContact CB-CH2 4.32Å; I78-W211 HydrophobicContact CD1-CH2 4.38Å; I78-W211 HydrophobicContact CD1-CZ2 4.21Å; I78-W211 HydrophobicContact CG2-CH2 3.92Å; I78-W211 HydrophobicContact CG2-CZ2 3.91Å; Q141-W211 HydrophobicContact CB-CE3 4.06Å; K143-W211 HydrophobicContact CB-CD2 3.64Å; K143-W211 HydrophobicContact CB-CE3 3.43Å; K143-W211 VanDerWaalsContact CB-CE3 3.43Å; K143-W211 HydrophobicContact CB-CG 4.29Å; K143-W211 HydrophobicContact CB-CH2 4.12Å; K143-W211 HydrophobicContact CB-CZ2 4.3Å; K143-W211 HydrophobicContact CB-CZ3 3.69Å; K143-W211 HydrophobicContact CD-CD2 3.82Å; K143-W211 HydrophobicContact CD-CE3 4.44Å; K143-W211 HydrophobicContact CD-CG 4.06Å; K143-W211 HydrophobicContact CD-CZ2 4.06Å; K143-W211 HydrophobicContact CG-CD2 4.4Å; W211-C251 HydrophobicContact CH2-CB 3.95Å; W211-C251 HydrophobicContact CZ3-CB 4.47Å; W211-D253 HydrophobicContact CH2-CB 3.79Å; W211-D253 HydrophobicContact CZ3-CB 3.78Å
212Q84.2Confident67.4Low42 Ų4274.1 Ų74.120%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-106.2134.1173.8-63.5-1713800109.4Q141 Y142 S202Q141-Q212 CarbonylContact C-O 3.57Å; Q141-Q212 WeakPolarHBondContact CA-O 3.42Å; Y142-Q212 HydrophobicContact CD1-CB 3.93Å; Y142-Q212 HydrophobicContact CE1-CB 3.52Å; Y142-Q212 HydrophobicContact CE1-CG 4.37Å; Y142-Q212 PolarHBondContact N-O 2.8Å; Y142-Q212 PolarHBondContact O-N 3.03Å; Y142-Q212 PolarHBondContact OH-OE1 2.8Å; S202-Q212 PolarHBondContact OG-OE1 2.91Å
213I86.9Confident66.5Low76 Ų7676.4 Ų76.439%0.3939%0.388SS..EExtended strand (participates in β ladder)trans-94.7133174.9-47.1-175.3000108.4Q139 Q141 F215Q139-I213 HydrophobicContact CG-CG2 3.77Å; Q141-I213 HydrophobicContact CG-CG1 4.09Å; I213-F215 HydrophobicContact CG2-CD2 4.41Å; I213-F215 HydrophobicContact CG2-CE2 3.74Å; I213-F215 HydrophobicContact CG2-CZ 4.01Å
214V87.8Confident65.5Low14 Ų1477.4 Ų77.49%0.08539%0.394CS..EExtended strand (participates in β ladder)trans-118.7142.5178.6-166.80000109.2Q139 F140 Y142 W195 I216Q139-V214 WeakPolarHBondContact CA-O 3.43Å; Q139-V214 WeakPolarHBondContact CG-O 3.25Å; F140-V214 HydrophobicContact CD2-CG2 4.46Å; F140-V214 HydrophobicContact CE1-CB 4.49Å; F140-V214 HydrophobicContact CE2-CB 4.19Å; F140-V214 HydrophobicContact CE2-CG2 3.9Å; F140-V214 HydrophobicContact CZ-CB 4.15Å; F140-V214 HydrophobicContact CZ-CG1 4.44Å; F140-V214 HydrophobicContact CZ-CG2 4.2Å; F140-V214 PolarHBondContact N-O 2.87Å; F140-V214 PolarHBondContact O-N 3.17Å; Y142-V214 HydrophobicContact CD1-CG2 3.53Å; Y142-V214 HydrophobicContact CE1-CG2 3.5Å; W195-V214 HydrophobicContact CD2-CG1 3.98Å; W195-V214 VanDerWaalsContact CE2-CG1 3.5Å; W195-V214 HydrophobicContact CG-CG1 4.25Å; W195-V214 HydrophobicContact CH2-CG2 3.91Å; W195-V214 HydrophobicContact CZ2-CB 4.42Å; W195-V214 HydrophobicContact CZ2-CG1 3.83Å; W195-V214 HydrophobicContact CZ2-CG2 3.65Å; V214-I216 HydrophobicContact CB-CD1 4.13Å; V214-I216 HydrophobicContact CG1-CD1 3.53Å; V214-I216 HydrophobicContact CG1-CG1 4.01Å
215F89.4Confident64.4Low63 Ų6385.4 Ų85.428%0.27643%0.431SS..EExtended strand (participates in β ladder)trans-124.6129.6171.1-61.2-96000108.9I138 Q139 I213 C262 L265I138-F215 WeakPolarHBondContact O-CA 3.4Å; Q139-F215 HydrophobicContact CB-CD1 3.99Å; Q139-F215 HydrophobicContact CB-CE1 4.12Å; Q139-F215 HydrophobicContact CG-CD1 3.93Å; Q139-F215 HydrophobicContact CG-CE1 3.69Å; Q139-F215 HydrophobicContact CG-CZ 4.08Å; I213-F215 HydrophobicContact CG2-CD2 4.41Å; I213-F215 HydrophobicContact CG2-CE2 3.74Å; I213-F215 HydrophobicContact CG2-CZ 4.01Å; F215-C262 HydrophobicContact CB-CB 4.13Å; F215-L265 HydrophobicContact CD1-CB 4.29Å; F215-L265 HydrophobicContact CE1-CB 4.06Å
216I89.6Confident63.3Low10 Ų1087 Ų875%0.05145%0.447CS..EExtended strand (participates in β ladder)trans-128.7121.6-177-51.388.4000110.1C137 I138 F140 L168 I194 W195 V214 C262C137-I216 WeakPolarHBondContact CA-O 3.41Å; I138-I216 HydrophobicContact CG2-CB 3.98Å; I138-I216 HydrophobicContact CG2-CD1 4.2Å; I138-I216 PolarHBondContact N-O 3.18Å; I138-I216 PolarHBondContact O-N 2.81Å; F140-I216 HydrophobicContact CD1-CD1 4.06Å; F140-I216 HydrophobicContact CE1-CD1 3.49Å; F140-I216 VanDerWaalsContact CE1-CD1 3.49Å; F140-I216 HydrophobicContact CZ-CD1 4.25Å; L168-I216 HydrophobicContact CD2-CB 4.35Å; L168-I216 HydrophobicContact CD2-CD1 4.04Å; L168-I216 HydrophobicContact CD2-CG1 4.12Å; L168-I216 HydrophobicContact CD2-CG2 4.42Å; I194-I216 HydrophobicContact CB-CG2 4.47Å; I194-I216 HydrophobicContact CD1-CG2 4.18Å; I194-I216 HydrophobicContact CG1-CG2 4.4Å; W195-I216 HydrophobicContact CB-CG1 3.82Å; W195-I216 HydrophobicContact CB-CG2 4.42Å; W195-I216 HydrophobicContact CG-CG1 4.04Å; V214-I216 HydrophobicContact CB-CD1 4.13Å; V214-I216 HydrophobicContact CG1-CD1 3.53Å; V214-I216 HydrophobicContact CG1-CG1 4.01Å; I216-C262 PolarHBondContact O-SG 2.97Å; I216-C262 VanDerWaalsContact O-SG 3.34Å
217Q87.7Confident62.2Low44 Ų4492.9 Ų92.921%0.20648%0.475CS..EExtended strand (participates in β ladder)trans-77.2122.5175.5-171.174.224.300110.1R136 D219 Q220 C262R136-Q217 CarbonylContact O-C 3.32Å; R136-Q217 WeakPolarHBondContact O-CA 3.39Å; R136-Q217 VanDerWaalsContact O-CD 3.27Å; R136-Q217 PolarHBondContact O-NE2 2.9Å; Q217-D219 HydrophobicContact CG-CB 4.27Å; Q217-D219 PolarHBondContact NE2-OD2 2.8Å; Q217-Q220 HydrophobicContact CB-CG 4.36Å; Q217-Q220 HydrophobicContact CG-CG 4.34Å; Q217-C262 PolarHBondContact N-SG 3.22Å; Q217-C262 VanDerWaalsContact N-SG 3.4Å
218L83.8Confident61.7Low19 Ų1990 Ų9010%0.09947%0.466CS..SBendtrans-84.9-25.1-178.1-60.9174.5000112.9L135 R136 I138 I194 Q220 L235L135-L218 HydrophobicContact CB-CD1 4Å; R136-L218 PolarHBondContact O-N 2.96Å; I138-L218 HydrophobicContact CB-CD1 4.33Å; I138-L218 HydrophobicContact CG2-CD1 4.37Å; I138-L218 HydrophobicContact CG2-CD2 3.89Å; I138-L218 HydrophobicContact CG2-CG 4.26Å; I194-L218 HydrophobicContact CD1-CD2 3.86Å; L218-Q220 PolarHBondContact O-N 3.46Å; L218-L235 HydrophobicContact CD2-CD1 4.24Å; L218-L235 HydrophobicContact CD2-CD2 4.17Å
219D69.6Low61.4Low54 Ų5490.3 Ų90.329%0.28948%0.476SS..  trans-68.83.7-174.9-65.1-13.8000115.7R136 Q217 Q221R136-D219 WeakPolarHBondContact CA-OD1 3.49Å; R136-D219 WeakPolarHBondContact CB-OD2 3.47Å; R136-D219 WeakPolarHBondContact CD-OD2 3.09Å; R136-D219 VanDerWaalsContact CG-OD2 3.26Å; R136-D219 WeakPolarHBondContact CG-OD2 3.49Å; R136-D219 IonicContact NH1-OD2 3.99Å; R136-D219 PolarHBondContact NH1-OD2 2.8Å; R136-D219 VanDerWaalsContact NH1-OD2 3.11Å; Q217-D219 HydrophobicContact CG-CB 4.27Å; Q217-D219 PolarHBondContact NE2-OD2 2.8Å; D219-Q221 VanDerWaalsContact C-N 3.3Å; D219-Q221 PolarHBondContact O-N 2.87Å
220Q54.7Low61.2Low142 Ų14291.6 Ų91.666%0.66448%0.478SS*.THydrogen-bonded Turntrans-76.268.5-169.6-64.5-166.18.700114.4K192 Q217 L218K192-Q220 PolarHBondContact NZ-O 3.3Å; Q217-Q220 HydrophobicContact CB-CG 4.36Å; Q217-Q220 HydrophobicContact CG-CG 4.34Å; L218-Q220 PolarHBondContact O-N 3.46Å
221Q47.2Very low61Low139 Ų13988.6 Ų88.665%0.6547%0.466SS*.THydrogen-bonded Turntrans-166.115.1143.1-119.9166.2-34.500118.5D219 T223D219-Q221 VanDerWaalsContact C-N 3.3Å; D219-Q221 PolarHBondContact O-N 2.87Å; Q221-T223 PolarHBondContact O-N 3.04Å
222I41.8Very low60.8Low140 Ų14088.6 Ų88.672%0.71847%0.47SS*.  trans-77.169.3171.6-48.3-177.9000110.6
223T32.9Very low60.9Low108 Ų10887.2 Ų87.266%0.66346%0.464SS*.SBendtrans-144.898.7176.917.70000111.4Q221Q221-T223 PolarHBondContact O-N 3.04Å
224N30.5Very low61Low148 Ų14885.4 Ų85.479%0.79145%0.453SS*.SBendtrans65.842.8157.8-54.1-21.4000118.1
225Q31.1Very low61.2Low183 Ų18384.7 Ų84.786%0.85545%0.449SS*.SBendtrans-155.3158.6147.4-112.5135.8108.800112.2
226S31.1Very low61.4Low102 Ų10281.7 Ų81.771%0.71344%0.436SS*.SBendtrans-34.5132.5-176.948.60000117S228S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 2.88Å
227E33Very low61.6Low190 Ų19081.3 Ų81.389%0.88843%0.433SS*.  trans29.558149.3-64.3179126.400116.2T229E227-T229 VanDerWaalsContact C-N 3.27Å; E227-T229 PolarHBondContact O-N 2.88Å
228S38.1Very low61.9Low78 Ų7880.9 Ų80.955%0.54543%0.432SS..  trans-67.992.7160.439.10000108.2S226 L230S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 2.88Å; S228-L230 PolarHBondContact O-N 3.08Å
229T47.8Very low62.2Low123 Ų12380 Ų8076%0.75543%0.427SS*.  trans-48.9127.4168.642.70000108.6E227 S231E227-T229 VanDerWaalsContact C-N 3.27Å; E227-T229 PolarHBondContact O-N 2.88Å; T229-S231 VanDerWaalsContact C-N 3.34Å; T229-S231 PolarHBondContact O-N 2.89Å
230L60.9Low63.1Low85 Ų8578.9 Ų78.945%0.44542%0.422SS..  trans-71.496.2-176.1-133.256.9000106.7P113 S228P113-L230 HydrophobicContact CB-CB 3.96Å; P113-L230 HydrophobicContact CB-CD2 3.77Å; P113-L230 HydrophobicContact CB-CG 3.64Å; P113-L230 VanDerWaalsContact CG-C 3.46Å; P113-L230 HydrophobicContact CG-CB 3.81Å; P113-L230 HydrophobicContact CG-CG 3.98Å; P113-L230 WeakPolarHBondContact CG-O 3.42Å; S228-L230 PolarHBondContact O-N 3.08Å
231S69.2Low64.5Low40 Ų4072.2 Ų72.228%0.2839%0.391SS..  trans-83.7142.8-177.544.60000111.4S172 T229S172-S231 PolarHBondContact OG-OG 2.84Å; T229-S231 VanDerWaalsContact C-N 3.34Å; T229-S231 PolarHBondContact O-N 2.89Å
232D79.9Confident66Low60 Ų6066.3 Ų66.332%0.32137%0.365SS..  trans-54.5146.1168.8-35.7-51.6000109.8T110 V111 S172 T173T110-D232 HydrophobicContact CG2-CB 3.67Å; V111-D232 WeakPolarHBondContact O-CA 3.43Å; S172-D232 WeakPolarHBondContact CA-O 3.17Å; T173-D232 HydrophobicContact CG2-CB 3.95Å; T173-D232 PolarHBondContact N-O 2.94Å; T173-D232 PolarHBondContact OG1-N 3.31Å; T173-D232 PolarHBondContact OG1-O 2.82Å; T173-D232 VanDerWaalsContact OG1-O 3.13Å
233Y86.1Confident67.3Low14 Ų1461.5 Ų61.56%0.05535%0.346CS..EExtended strand (participates in β ladder)trans-146.9149.2-18065.7-85.2000113.5V111 K170 H171 L235V111-Y233 HydrophobicContact CB-CD1 4.23Å; V111-Y233 HydrophobicContact CB-CD2 4.34Å; V111-Y233 HydrophobicContact CB-CE1 3.96Å; V111-Y233 HydrophobicContact CB-CE2 4.08Å; V111-Y233 HydrophobicContact CB-CG 4.42Å; V111-Y233 WeakPolarHBondContact CB-O 3.12Å; V111-Y233 HydrophobicContact CG1-CD1 4.47Å; V111-Y233 HydrophobicContact CG1-CE1 3.77Å; V111-Y233 HydrophobicContact CG1-CE2 4.37Å; V111-Y233 HydrophobicContact CG2-CE2 4.18Å; V111-Y233 PolarHBondContact N-O 3.5Å; V111-Y233 PolarHBondContact O-N 2.85Å; K170-Y233 HydrophobicContact CD-CD2 3.75Å; K170-Y233 HydrophobicContact CD-CE2 4.21Å; K170-Y233 HydrophobicContact CD-CG 4.03Å; K170-Y233 HydrophobicContact CG-CD2 3.96Å; K170-Y233 HydrophobicContact CG-CG 4.28Å; K170-Y233 VanDerWaalsContact NZ-CE1 3.32Å; K170-Y233 VanDerWaalsContact NZ-CG 3.28Å; H171-Y233 CarbonylContact O-C 3.56Å; H171-Y233 WeakPolarHBondContact O-CA 3.36Å; H171-Y233 WeakPolarHBondContact O-CB 3.2Å; Y233-L235 HydrophobicContact CD2-CD2 3.96Å; Y233-L235 HydrophobicContact CD2-CG 4.37Å; Y233-L235 HydrophobicContact CE2-CD2 3.93Å; Y233-L235 HydrophobicContact CE2-CG 4.24Å
234K89.8Confident68.9Low37 Ų3758 Ų5816%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-104.5149.1166.6-66-175.7178.7-174.60109.7W107 T110 H171 I860W107-K234 HydrophobicContact CE3-CB 4.21Å; W107-K234 HydrophobicContact CE3-CD 4.08Å; T110-K234 WeakPolarHBondContact OG1-CE 3.27Å; H171-K234 PolarHBondContact N-O 2.87Å; H171-K234 PolarHBondContact O-N 2.83Å; K234-I860 PolarHBondContact NZ-O 2.94Å
235L91.8Very high70.8Confident0 Ų052.7 Ų52.70%030%0.301CS..EExtended strand (participates in β ladder)trans-98.7146.2166.9-61.1-177.6000109.1L40 W54 S108 I138 L168 L169 K170 I194 L218 Y233L40-L235 HydrophobicContact CD1-CD1 3.81Å; L40-L235 HydrophobicContact CD1-CG 4.46Å; W54-L235 HydrophobicContact CH2-CB 4.15Å; S108-L235 PolarHBondContact N-O 3.5Å; S108-L235 PolarHBondContact OG-N 2.87Å; S108-L235 PolarHBondContact OG-O 2.85Å; I138-L235 HydrophobicContact CD1-CD1 3.56Å; I138-L235 HydrophobicContact CG2-CD1 4.35Å; L168-L235 HydrophobicContact CD1-CB 4.32Å; L169-L235 CarbonylContact O-C 3.58Å; L169-L235 WeakPolarHBondContact O-CA 3.08Å; K170-L235 HydrophobicContact CB-CD2 4.09Å; K170-L235 HydrophobicContact CG-CD2 4.43Å; I194-L235 HydrophobicContact CD1-CD2 4.05Å; L218-L235 HydrophobicContact CD2-CD1 4.24Å; L218-L235 HydrophobicContact CD2-CD2 4.17Å; Y233-L235 HydrophobicContact CD2-CD2 3.96Å; Y233-L235 HydrophobicContact CD2-CG 4.37Å; Y233-L235 HydrophobicContact CE2-CD2 3.93Å; Y233-L235 HydrophobicContact CE2-CG 4.24Å
236I93.1Very high72.5Confident0 Ų045.1 Ų45.10%027%0.268CS..EExtended strand (participates in β ladder)trans-128.8120.7179.8-40.5173.5000108.5R105 L106 W107 L168 L169 H171 N191R105-I236 HydrophobicContact CB-CG2 3.8Å; R105-I236 HydrophobicContact CG-CG2 3.85Å; L106-I236 WeakPolarHBondContact O-CA 3.36Å; W107-I236 HydrophobicContact CD2-CD1 4.18Å; W107-I236 HydrophobicContact CD2-CG1 4.01Å; W107-I236 HydrophobicContact CD2-CG2 4.37Å; W107-I236 HydrophobicContact CE3-CD1 3.84Å; W107-I236 HydrophobicContact CE3-CG1 3.69Å; W107-I236 HydrophobicContact CH2-CD1 3.45Å; W107-I236 VanDerWaalsContact CH2-CD1 3.45Å; W107-I236 HydrophobicContact CH2-CG1 4.26Å; W107-I236 HydrophobicContact CZ2-CD1 3.81Å; W107-I236 HydrophobicContact CZ3-CD1 3.48Å; W107-I236 VanDerWaalsContact CZ3-CD1 3.48Å; W107-I236 HydrophobicContact CZ3-CG1 3.84Å; L168-I236 WeakPolarHBondContact CA-O 3.26Å; L169-I236 HydrophobicContact CB-CB 4.14Å; L169-I236 HydrophobicContact CB-CD1 4.41Å; L169-I236 HydrophobicContact CB-CG1 4.47Å; L169-I236 HydrophobicContact CD1-CD1 4.44Å; L169-I236 PolarHBondContact N-O 3.49Å; L169-I236 PolarHBondContact O-N 2.91Å; H171-I236 HydrophobicContact CB-CD1 4.18Å; N191-I236 HydrophobicContact CB-CD1 4.41Å
237L94.3Very high74.3Confident1 Ų142.7 Ų42.71%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-87.2110.4164.6-74.3165.1000108.2W54 R105 L106 F140 L166 L168 V252 I255W54-L237 HydrophobicContact CH2-CD1 4.31Å; W54-L237 HydrophobicContact CZ3-CD1 4.06Å; W54-L237 HydrophobicContact CZ3-CG 4.21Å; R105-L237 CarbonylContact C-O 3.6Å; R105-L237 WeakPolarHBondContact CA-O 3.49Å; L106-L237 HydrophobicContact CB-CB 4.28Å; L106-L237 HydrophobicContact CD2-CD1 4.33Å; L106-L237 PolarHBondContact N-O 2.88Å; L106-L237 PolarHBondContact O-N 2.85Å; F140-L237 HydrophobicContact CE1-CD2 4.14Å; F140-L237 HydrophobicContact CZ-CD2 4.16Å; L166-L237 HydrophobicContact CD1-CD2 4.24Å; L168-L237 HydrophobicContact CD1-CD2 3.72Å; L168-L237 HydrophobicContact CD1-CG 3.98Å; L237-V252 HydrophobicContact CD1-CG1 4.19Å; L237-I255 HydrophobicContact CD1-CD1 3.88Å
238E93.2Very high76.4Confident36 Ų3633.6 Ų33.617%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-107.3106.3178.4-173176.174.500109.3T103 R105 S167 L169T103-E238 HydrophobicContact CG2-CG 3.8Å; R105-E238 HydrophobicContact CG-CB 4.28Å; R105-E238 HydrophobicContact CG-CG 4.06Å; R105-E238 IonicContact CZ-OE2 3.48Å; R105-E238 VanDerWaalsContact CZ-OE2 3.25Å; R105-E238 IonicContact NE-OE2 3.51Å; R105-E238 PolarHBondContact NE-OE2 2.97Å; R105-E238 IonicContact NH2-OE2 2.68Å; R105-E238 PolarHBondContact NH2-OE2 3.45Å; S167-E238 PolarHBondContact N-O 2.96Å; S167-E238 PolarHBondContact O-N 3.41Å; L169-E238 HydrophobicContact CD1-CB 4.23Å
239G91.1Very high78.5Confident0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-97.2130.2176.400000110.7L81 T103 A104L81-G239 WeakPolarHBondContact CD2-O 3.17Å; T103-G239 CarbonylContact C-O 3.58Å; T103-G239 VanDerWaalsContact CA-O 3.29Å; T103-G239 WeakPolarHBondContact CA-O 3.44Å; A104-G239 PolarHBondContact N-O 2.89Å; A104-G239 PolarHBondContact O-N 2.98Å
240T88.1Confident80.4Confident30 Ų3026.6 Ų26.618%0.18415%0.152CC..EExtended strand (participates in β ladder)trans-127.5123177.7-65.70000111.3L102 T103 N165L102-T240 CarbonylContact O-C 3.51Å; L102-T240 WeakPolarHBondContact O-CA 3.45Å; T103-T240 WeakPolarHBondContact CG2-OG1 3.49Å; T103-T240 WeakPolarHBondContact OG1-CG2 3.48Å; T103-T240 PolarHBondContact OG1-OG1 2.98Å; N165-T240 PolarHBondContact N-O 2.93Å; N165-T240 PolarHBondContact O-N 3.1Å
241I84.2Confident81.8Confident2 Ų222.6 Ų22.61%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-109.5115.9171.5-63.2162.2000107.5L81 S101 L102 I164 Y245 A248 I250L81-I241 HydrophobicContact CD2-CD1 3.78Å; L81-I241 HydrophobicContact CD2-CG1 4.04Å; L81-I241 HydrophobicContact CG-CD1 4.08Å; S101-I241 WeakPolarHBondContact CA-O 3.35Å; L102-I241 HydrophobicContact CB-CB 4.24Å; L102-I241 PolarHBondContact N-O 2.94Å; L102-I241 PolarHBondContact O-N 3Å; I164-I241 HydrophobicContact CG2-CG1 4.16Å; I241-Y245 WeakPolarHBondContact CG2-O 3.36Å; I241-A248 HydrophobicContact CG2-CB 4.03Å; I241-I250 HydrophobicContact CD1-CG1 4.39Å; I241-I250 HydrophobicContact CG1-CD1 4.07Å; I241-I250 HydrophobicContact CG1-CG1 4.06Å
242P79Confident82.8Confident16 Ų1620.7 Ų20.710%0.10412%0.117CC..  trans-69.9160.4178.924.3-28.7000112.6A162 Y245A162-P242 WeakPolarHBondContact O-CG 3.35Å; P242-Y245 HydrophobicContact CG-CD2 3.98Å; P242-Y245 HydrophobicContact CG-CE2 4.25Å; P242-Y245 PolarHBondContact O-N 2.87Å
243A69.3Low83.3Confident38 Ų3818.5 Ų18.531%0.31411%0.106SC..THydrogen-bonded Turntrans-55.814717500000111.9Q98Q98-A243 WeakPolarHBondContact O-CB 3.38Å
244G65.6Low83.4Confident36 Ų3620 Ų2037%0.37112%0.115SC..THydrogen-bonded Turntrans94.4-15.1-173.500000115.4Y95 P246Y95-G244 PolarHBondContact O-N 3Å; G244-P246 WeakPolarHBondContact O-CD 3.27Å
245Y69.6Low83.4Confident35 Ų3518.3 Ų18.314%0.13711%0.107CC..  trans-115.257.3-179.9-59.8-77000114.2L146 V151 P154 I241 P242 D247 A248L146-Y245 HydrophobicContact CD2-CD1 3.49Å; L146-Y245 VanDerWaalsContact CD2-CD1 3.49Å; L146-Y245 HydrophobicContact CD2-CE1 4.1Å; L146-Y245 HydrophobicContact CD2-CG 4.29Å; V151-Y245 HydrophobicContact CG1-CD1 4.34Å; V151-Y245 HydrophobicContact CG1-CE1 4.04Å; P154-Y245 VanDerWaalsContact CD-OH 3.28Å; P154-Y245 WeakPolarHBondContact CD-OH 3.47Å; I241-Y245 WeakPolarHBondContact CG2-O 3.36Å; P242-Y245 HydrophobicContact CG-CD2 3.98Å; P242-Y245 HydrophobicContact CG-CE2 4.25Å; P242-Y245 PolarHBondContact O-N 2.87Å; Y245-D247 PolarHBondContact O-N 2.88Å; Y245-A248 WeakPolarHBondContact O-CB 3.48Å; Y245-A248 PolarHBondContact O-N 2.88Å; Y245-A248 VanDerWaalsContact O-N 3.12Å
246P66.5Low83.3Confident25 Ų2518.6 Ų18.616%0.16211%0.109CC..THydrogen-bonded Turntrans-64.2-25.3-176.528.3-36000113.9Y95 G244 R249Y95-P246 HydrophobicContact CG-CB 4.44Å; G244-P246 WeakPolarHBondContact O-CD 3.27Å; P246-R249 PolarHBondContact O-NH1 3.25Å
247D70.6Confident83.1Confident50 Ų5018.6 Ų18.627%0.26711%0.109SC..THydrogen-bonded Turntrans-9610-178.9-61.9-25.4000112.4R92 H147 Y245R92-D247 IonicContact CZ-OD2 3.19Å; R92-D247 IonicContact NE-OD2 2.87Å; R92-D247 PolarHBondContact NE-OD2 3.09Å; R92-D247 IonicContact NH2-OD2 2.7Å; R92-D247 PolarHBondContact NH2-OD2 2.95Å; H147-D247 HydrophobicContact CB-CB 4.08Å; H147-D247 PolarHBondContact N-O 3.13Å; Y245-D247 PolarHBondContact O-N 2.88Å
248A76Confident82.6Confident0 Ų019.5 Ų19.50%011%0.113CC..EExtended strand (participates in β ladder)trans-8314817100000112.1Q145 L146 I164 I241 Y245Q145-A248 CarbonylContact O-C 3.59Å; Q145-A248 WeakPolarHBondContact O-CA 3.31Å; L146-A248 HydrophobicContact CD2-CB 3.86Å; L146-A248 HydrophobicContact CG-CB 4.29Å; I164-A248 HydrophobicContact CD1-CB 3.67Å; I164-A248 HydrophobicContact CG1-CB 4.49Å; I241-A248 HydrophobicContact CG2-CB 4.03Å; Y245-A248 WeakPolarHBondContact O-CB 3.48Å; Y245-A248 PolarHBondContact O-N 2.88Å; Y245-A248 VanDerWaalsContact O-N 3.12Å
249R82Confident82.1Confident54 Ų5419.6 Ų19.620%0.20412%0.116CC..EExtended strand (participates in β ladder)trans-134142.5172.9-59.8-65.4176.5-94.5-3.8109.7L81 I144 Q145 P246L81-R249 WeakPolarHBondContact O-CD 3.47Å; I144-R249 WeakPolarHBondContact CA-O 3.48Å; Q145-R249 PolarHBondContact N-O 2.95Å; Q145-R249 PolarHBondContact O-N 3.12Å; P246-R249 PolarHBondContact O-NH1 3.25Å
250I88.4Confident81.5Confident0 Ų024.8 Ų24.80%014%0.14CC..EExtended strand (participates in β ladder)trans-109.5120166.6-52.5178.2000105.8W65 C80 L81 I164 N165 L166 I241W65-I250 HydrophobicContact CH2-CG2 4.31Å; C80-I250 CarbonylContact C-O 3.59Å; C80-I250 WeakPolarHBondContact CA-O 3.4Å; L81-I250 HydrophobicContact CB-CB 4.22Å; L81-I250 HydrophobicContact CD2-CD1 3.98Å; L81-I250 HydrophobicContact CD2-CG1 4.36Å; L81-I250 PolarHBondContact N-O 3.41Å; I164-I250 HydrophobicContact CG2-CD1 3.65Å; I164-I250 HydrophobicContact CG2-CG1 3.6Å; N165-I250 WeakPolarHBondContact O-CD1 3.35Å; L166-I250 HydrophobicContact CB-CG2 4.06Å; L166-I250 HydrophobicContact CD1-CG2 4.25Å; L166-I250 HydrophobicContact CD2-CG2 4.16Å; L166-I250 HydrophobicContact CG-CG2 4.39Å; I241-I250 HydrophobicContact CD1-CG1 4.39Å; I241-I250 HydrophobicContact CG1-CD1 4.07Å; I241-I250 HydrophobicContact CG1-CG1 4.06Å
251C89.7Confident81.3Confident0 Ų025.9 Ų25.90%015%0.148CC..EExtended strand (participates in β ladder)trans-116.6147.5176.8-58.80000110.8I78 I79 C80 Y142 K143 W211I78-C251 HydrophobicContact CD1-CB 4.29Å; I79-C251 CarbonylContact O-C 3.6Å; I79-C251 WeakPolarHBondContact O-CA 3.42Å; C80-C251 HydrophobicContact CB-CB 4.17Å; C80-C251 WeakPolarHBondContact CB-SG 3.21Å; C80-C251 WeakPolarHBondContact SG-CB 3.35Å; C80-C251 CovalentContact SG-SG 2.05Å; C80-C251 PolarHBondContact SG-SG 3.3Å; Y142-C251 CarbonylContact C-O 3.58Å; Y142-C251 VanDerWaalsContact CA-O 3.26Å; Y142-C251 WeakPolarHBondContact CA-O 3.32Å; K143-C251 PolarHBondContact N-O 3.45Å; K143-C251 PolarHBondContact O-N 2.72Å; W211-C251 HydrophobicContact CH2-CB 3.95Å; W211-C251 HydrophobicContact CZ3-CB 4.47Å
252V91.4Very high81.4Confident0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-131.7146.5179.5-179.30000108.7W65 I79 F140 Q141 L166 L237 I255W65-V252 HydrophobicContact CH2-CG2 4.03Å; W65-V252 HydrophobicContact CZ3-CG2 4.08Å; I79-V252 HydrophobicContact CG2-CB 3.85Å; I79-V252 PolarHBondContact N-O 2.87Å; I79-V252 VanDerWaalsContact N-O 3.08Å; I79-V252 PolarHBondContact O-N 2.94Å; F140-V252 HydrophobicContact CB-CG1 4.31Å; F140-V252 HydrophobicContact CD2-CG1 4.21Å; F140-V252 HydrophobicContact CG-CG1 4.49Å; Q141-V252 CarbonylContact O-C 3.54Å; Q141-V252 VanDerWaalsContact O-CA 3.31Å; Q141-V252 WeakPolarHBondContact O-CA 3.41Å; L166-V252 HydrophobicContact CD2-CG2 3.69Å; L237-V252 HydrophobicContact CD1-CG1 4.19Å; V252-I255 HydrophobicContact CG1-CD1 4.17Å; V252-I255 HydrophobicContact CG1-CG1 4.08Å
253D89.7Confident81.6Confident14 Ų1430 Ų308%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-150.6158.6-178.6-175.818.1000110.2I78 Q141 W211 I255I78-D253 HydrophobicContact CG2-CB 4.04Å; Q141-D253 HydrophobicContact CB-CB 4.49Å; Q141-D253 PolarHBondContact N-O 3.4Å; Q141-D253 PolarHBondContact O-N 2.76Å; W211-D253 HydrophobicContact CH2-CB 3.79Å; W211-D253 HydrophobicContact CZ3-CB 3.78Å; D253-I255 PolarHBondContact O-N 2.83Å
254N87.8Confident82Confident46 Ų4630.1 Ų30.125%0.24618%0.178CC..EExtended strand (participates in β ladder)trans50.157.1166.3-168.8-2.9000113.1C42 Q141 T256C42-N254 CarbonylContact O-C 3.47Å; C42-N254 WeakPolarHBondContact O-CA 3.37Å; Q141-N254 HydrophobicContact CG-CB 4.25Å; Q141-N254 PolarHBondContact NE2-ND2 3.43Å; N254-T256 PolarHBondContact OD1-OG1 2.97Å
255I90.9Very high82.3Confident1 Ų129 Ų291%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-72.9124.6173.5-53177.8000107.6Y41 C42 F44 W54 I138 Q139 F140 L237 V252 D253Y41-I255 CarbonylContact C-O 3.49Å; Y41-I255 WeakPolarHBondContact CA-O 3.38Å; Y41-I255 WeakPolarHBondContact CD2-O 3.05Å; C42-I255 HydrophobicContact CB-CB 4.44Å; C42-I255 PolarHBondContact N-O 2.87Å; C42-I255 PolarHBondContact O-N 3.26Å; F44-I255 HydrophobicContact CE2-CD1 4.24Å; F44-I255 HydrophobicContact CE2-CG1 4.37Å; F44-I255 HydrophobicContact CZ-CD1 3.88Å; F44-I255 HydrophobicContact CZ-CG1 4.5Å; W54-I255 HydrophobicContact CD2-CD1 4.49Å; W54-I255 HydrophobicContact CZ2-CD1 4.07Å; W54-I255 HydrophobicContact CZ2-CG2 3.87Å; I138-I255 HydrophobicContact CD1-CG2 3.94Å; I138-I255 HydrophobicContact CG1-CG2 4.33Å; Q139-I255 CarbonylContact O-C 3.57Å; Q139-I255 WeakPolarHBondContact O-CA 3.17Å; F140-I255 HydrophobicContact CB-CB 4.42Å; F140-I255 HydrophobicContact CB-CG1 3.98Å; L237-I255 HydrophobicContact CD1-CD1 3.88Å; V252-I255 HydrophobicContact CG1-CD1 4.17Å; V252-I255 HydrophobicContact CG1-CG1 4.08Å; D253-I255 PolarHBondContact O-N 2.83Å
256T89.5Confident82.2Confident7 Ų733.4 Ų33.44%0.04319%0.185CC..EExtended strand (participates in β ladder)trans-138.9125.6179.8-57.70000110.7Y41 Q139 N254 Y258Y41-T256 HydrophobicContact CD2-CG2 4.27Å; Y41-T256 WeakPolarHBondContact CD2-OG1 3.24Å; Q139-T256 PolarHBondContact N-O 3.1Å; Q139-T256 PolarHBondContact O-N 3.3Å; N254-T256 PolarHBondContact OD1-OG1 2.97Å; T256-Y258 HydrophobicContact CG2-CD1 4.34Å; T256-Y258 HydrophobicContact CG2-CD2 4.3Å; T256-Y258 HydrophobicContact CG2-CE1 3.74Å; T256-Y258 HydrophobicContact CG2-CE2 3.73Å; T256-Y258 VanDerWaalsContact CG2-CZ 3.43Å
257S88Confident81.7Confident0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-99.3141.217359.60000111.9N38 L39 L40N38-S257 VanDerWaalsContact CG-O 3.26Å; N38-S257 PolarHBondContact OD1-O 2.81Å; L39-S257 PolarHBondContact N-OG 3.26Å; L40-S257 PolarHBondContact N-OG 3.4Å; L40-S257 VanDerWaalsContact N-OG 3.08Å
258Y84.7Confident80.9Confident19 Ų1942.6 Ų42.68%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-127.9147.9-179.9-53.6-90.9000111.9R136 C137 Q139 T256 E260 L265R136-Y258 PolarHBondContact N-O 2.89Å; C137-Y258 PolarHBondContact N-O 3.33Å; C137-Y258 VanDerWaalsContact N-O 3.14Å; C137-Y258 PolarHBondContact O-N 3.5Å; Q139-Y258 HydrophobicContact CB-CE2 3.79Å; Q139-Y258 PolarHBondContact OE1-OH 3.09Å; T256-Y258 HydrophobicContact CG2-CD1 4.34Å; T256-Y258 HydrophobicContact CG2-CD2 4.3Å; T256-Y258 HydrophobicContact CG2-CE1 3.74Å; T256-Y258 HydrophobicContact CG2-CE2 3.73Å; T256-Y258 VanDerWaalsContact CG2-CZ 3.43Å; Y258-E260 VanDerWaalsContact C-N 3.28Å; Y258-L265 HydrophobicContact CD1-CD1 4.21Å; Y258-L265 HydrophobicContact CD1-CD2 3.99Å; Y258-L265 HydrophobicContact CD2-CD1 3.34Å; Y258-L265 HydrophobicContact CD2-CD2 4.42Å; Y258-L265 HydrophobicContact CE1-CD2 3.92Å; Y258-L265 HydrophobicContact CE2-CD1 3.71Å; Y258-L265 HydrophobicContact CE2-CD2 4.33Å; Y258-L265 HydrophobicContact CG-CD1 3.6Å; Y258-L265 HydrophobicContact CG-CD2 4.23Å
259T81.4Confident79.6Confident39 Ų3945.5 Ų45.524%0.23926%0.256CS..SBendtrans-82.3-4.8170.152.30000113.1Q132 L135 R136Q132-T259 WeakPolarHBondContact O-CG2 3.49Å; L135-T259 HydrophobicContact CD2-CG2 4.47Å; R136-T259 WeakPolarHBondContact CD-O 3.31Å; R136-T259 VanDerWaalsContact CG-O 3.24Å; R136-T259 WeakPolarHBondContact CG-O 3.49Å; R136-T259 PolarHBondContact NE-O 3.05Å
260E80.1Confident77.7Confident108 Ų10845.7 Ų45.751%0.50527%0.27SS..SBendtrans-92.4149.2172.8-69.8-175.7-162.500111.8C137 Y258C137-E260 WeakPolarHBondContact CB-O 3.46Å; Y258-E260 VanDerWaalsContact C-N 3.28Å
261P82.9Confident75.5Confident53 Ų5351.3 Ų51.334%0.34431%0.306SS..  trans-68.8147.6173.631-35.5000111.4S263 A264P261-S263 PolarHBondContact O-N 3.08Å; P261-A264 WeakPolarHBondContact O-CB 3.36Å; P261-A264 PolarHBondContact O-N 2.67Å
262C86.6Confident73.4Confident13 Ų1358.9 Ų58.99%0.08835%0.346CS..Hα-helixtrans-58.3-27.9-174.9-57.10000113.7C137 F215 I216 Q217 A264 L265 E266C137-C262 HydrophobicContact CB-CB 4.08Å; C137-C262 WeakPolarHBondContact CB-SG 3.49Å; C137-C262 WeakPolarHBondContact SG-CA 3.46Å; C137-C262 WeakPolarHBondContact SG-CB 3.18Å; C137-C262 CovalentContact SG-SG 2.04Å; C137-C262 PolarHBondContact SG-SG 2.99Å; F215-C262 HydrophobicContact CB-CB 4.13Å; I216-C262 PolarHBondContact O-SG 2.97Å; I216-C262 VanDerWaalsContact O-SG 3.34Å; Q217-C262 PolarHBondContact N-SG 3.22Å; Q217-C262 VanDerWaalsContact N-SG 3.4Å; C262-A264 PolarHBondContact O-N 3.3Å; C262-L265 PolarHBondContact O-N 2.76Å; C262-L265 VanDerWaalsContact O-N 3.15Å; C262-E266 WeakPolarHBondContact O-CB 3.25Å; C262-E266 PolarHBondContact O-N 2.86Å
263S82.6Confident71Confident91 Ų9162.9 Ų62.964%0.63637%0.372SS*.Hα-helixtrans-67-18.5176.5-51.10000114.4P261P261-S263 PolarHBondContact O-N 3.08Å
264A77.3Confident69.1Low41 Ų4167.5 Ų67.534%0.33941%0.405SS..Hα-helixtrans-75.7-46.8168.800000110.5P261 C262 K267 A268P261-A264 WeakPolarHBondContact O-CB 3.36Å; P261-A264 PolarHBondContact O-N 2.67Å; C262-A264 PolarHBondContact O-N 3.3Å; A264-K267 WeakPolarHBondContact O-CB 3.38Å; A264-K267 PolarHBondContact O-N 2.68Å; A264-A268 PolarHBondContact O-N 2.82Å
265L72.7Confident67.2Low13 Ų1373 Ų737%0.06843%0.43CS..Hα-helixtrans-64.8-43.8179.8-64.1162.7000112.3C137 F215 Y258 C262 K267 A268 S269C137-L265 HydrophobicContact CB-CD1 3.99Å; F215-L265 HydrophobicContact CD1-CB 4.29Å; F215-L265 HydrophobicContact CE1-CB 4.06Å; Y258-L265 HydrophobicContact CD1-CD1 4.21Å; Y258-L265 HydrophobicContact CD1-CD2 3.99Å; Y258-L265 HydrophobicContact CD2-CD1 3.34Å; Y258-L265 HydrophobicContact CD2-CD2 4.42Å; Y258-L265 HydrophobicContact CE1-CD2 3.92Å; Y258-L265 HydrophobicContact CE2-CD1 3.71Å; Y258-L265 HydrophobicContact CE2-CD2 4.33Å; Y258-L265 HydrophobicContact CG-CD1 3.6Å; Y258-L265 HydrophobicContact CG-CD2 4.23Å; C262-L265 PolarHBondContact O-N 2.76Å; C262-L265 VanDerWaalsContact O-N 3.15Å; L265-K267 PolarHBondContact O-N 2.9Å; L265-A268 CarbonylContact O-C 3.58Å; L265-A268 WeakPolarHBondContact O-CA 3.44Å; L265-A268 WeakPolarHBondContact O-CB 3.34Å; L265-A268 PolarHBondContact O-N 3.47Å; L265-S269 PolarHBondContact O-N 3.27Å; L265-S269 PolarHBondContact O-OG 3.03Å
266E67.1Low65.6Low128 Ų12878.8 Ų78.860%0.59845%0.451SS*.Hα-helixtrans-57.3-35.8177.4-173.5-178.7-176.300112C262 A268 S269 A270C262-E266 WeakPolarHBondContact O-CB 3.25Å; C262-E266 PolarHBondContact O-N 2.86Å; E266-A268 VanDerWaalsContact C-N 3.32Å; E266-A268 PolarHBondContact O-N 2.05Å; E266-S269 WeakPolarHBondContact CA-OG 3.48Å; E266-S269 PolarHBondContact O-N 2.84Å; E266-S269 PolarHBondContact O-OG 2.87Å; E266-A270 PolarHBondContact O-N 2.85Å
267K56.2Low64.5Low182 Ų18280.9 Ų80.979%0.79147%0.466SS*.Hα-helixtrans-71.2-26.3177.6-166.5-178.9176.9-169.50112.7A264 L265A264-K267 WeakPolarHBondContact O-CB 3.38Å; A264-K267 PolarHBondContact O-N 2.68Å; L265-K267 PolarHBondContact O-N 2.9Å
268A53.2Low63.7Low86 Ų8689.9 Ų89.971%0.71150%0.5SS*.Hα-helixtrans-85.9-33172.300000112.6A264 L265 E266A264-A268 PolarHBondContact O-N 2.82Å; L265-A268 CarbonylContact O-C 3.58Å; L265-A268 WeakPolarHBondContact O-CA 3.44Å; L265-A268 WeakPolarHBondContact O-CB 3.34Å; L265-A268 PolarHBondContact O-N 3.47Å; E266-A268 VanDerWaalsContact C-N 3.32Å; E266-A268 PolarHBondContact O-N 2.05Å
269S48.8Very low63.1Low60 Ų6091.4 Ų91.442%0.4252%0.517SS..Hα-helixtrans-88.51.3179.473.50000114.3L265 E266L265-S269 PolarHBondContact O-N 3.27Å; L265-S269 PolarHBondContact O-OG 3.03Å; E266-S269 WeakPolarHBondContact CA-OG 3.48Å; E266-S269 PolarHBondContact O-N 2.84Å; E266-S269 PolarHBondContact O-OG 2.87Å
270A42.5Very low62.7Low59 Ų5994.1 Ų94.149%0.48853%0.527SS..SBendtrans-51.7122.8172.600000109E266 L272E266-A270 PolarHBondContact O-N 2.85Å; A270-L272 PolarHBondContact O-N 2.87Å
271P43.3Very low62.4Low117 Ų11795.3 Ų95.376%0.7653%0.527SS*.  trans-64.9108.2-165.823.2-33.5000110.7P273P271-P273 VanDerWaalsContact O-N 3.09Å
272L45.4Very low62.3Low159 Ų15999.5 Ų99.583%0.83254%0.54SS*.  trans-44.4119.6160.9-75.2170.4000106.8A270 S274A270-L272 PolarHBondContact O-N 2.87Å; L272-S274 PolarHBondContact O-N 2.88Å
273P41.2Very low62.2Low85 Ų85100.5 Ų100.555%0.55255%0.553SS**  trans-62.999.4-164.320.4-32000110.5P271 Q275 W276P271-P273 VanDerWaalsContact O-N 3.09Å; P273-Q275 HydrophobicContact CB-CG 4.2Å; P273-Q275 CarbonylContact O-C 3.56Å; P273-Q275 PolarHBondContact O-N 3.26Å; P273-W276 PolarHBondContact O-N 2.82Å
274S49.9Very low62.3Low110 Ų110101 Ų10177%0.76955%0.548SS*.SBendtrans-65.2-21.2-178.356.50000111.8L272 W276L272-S274 PolarHBondContact O-N 2.88Å; S274-W276 PolarHBondContact O-N 3.13Å
275Q46.7Very low62.7Low162 Ų162102.7 Ų102.776%0.75755%0.554SS**SBendtrans-64.577.2147.454.9158.41900111.2P273 S277P273-Q275 HydrophobicContact CB-CG 4.2Å; P273-Q275 CarbonylContact O-C 3.56Å; P273-Q275 PolarHBondContact O-N 3.26Å; Q275-S277 PolarHBondContact O-N 2.83Å
276W56.8Low63.3Low122 Ų122108.7 Ų108.746%0.46258%0.58SS.*  trans-41118.8156.9-81.880.5000108.3P273 S274 W278 Q280 Y281 L284P273-W276 PolarHBondContact O-N 2.82Å; S274-W276 PolarHBondContact O-N 3.13Å; W276-W278 PolarHBondContact O-N 2.95Å; W276-Q280 HydrophobicContact CE3-CB 3.78Å; W276-Q280 HydrophobicContact CZ3-CB 4.29Å; W276-Y281 HydrophobicContact CB-CD2 3.86Å; W276-Y281 HydrophobicContact CB-CE1 4.48Å; W276-Y281 HydrophobicContact CB-CE2 3.33Å; W276-Y281 HydrophobicContact CG-CE2 4.33Å; W276-Y281 WeakPolarHBondContact O-CE2 3.36Å; W276-L284 HydrophobicContact CE3-CD1 4.16Å; W276-L284 HydrophobicContact CH2-CD1 3.81Å; W276-L284 HydrophobicContact CZ3-CD1 3.42Å; W276-L284 VanDerWaalsContact CZ3-CD1 3.42Å
277S67.4Low64.4Low51 Ų51106.1 Ų106.136%0.35757%0.573SS.*  trans-55.7142-178.4173.60000109.1Q275 A279 Q280 Y281Q275-S277 PolarHBondContact O-N 2.83Å; S277-A279 PolarHBondContact O-N 2.93Å; S277-A279 VanDerWaalsContact O-N 3.07Å; S277-A279 PolarHBondContact OG-N 3.47Å; S277-Q280 WeakPolarHBondContact O-CA 3.32Å; S277-Q280 WeakPolarHBondContact O-CB 3.5Å; S277-Q280 PolarHBondContact O-N 2.81Å; S277-Y281 PolarHBondContact O-N 3.06Å
278W71.1Confident65.9Low190 Ų19098.9 Ų98.972%0.7255%0.55SS*.Hα-helixtrans-51.1-36.7174.462.9-88000110.7W276 Q280 Y281 F282W276-W278 PolarHBondContact O-N 2.95Å; W278-Q280 PolarHBondContact O-N 3.49Å; W278-Y281 PolarHBondContact O-N 2.89Å; W278-F282 AromaticContact CE3-CD2 3.72Å; W278-F282 HydrophobicContact CE3-CD2 3.72Å; W278-F282 AromaticContact CE3-CE2 3.93Å; W278-F282 HydrophobicContact CE3-CE2 3.93Å; W278-F282 HydrophobicContact CZ3-CD2 4.26Å; W278-F282 WeakPolarHBondContact O-CD2 3.48Å; W278-F282 PolarHBondContact O-N 3.22Å
279A72.4Confident67.6Low50 Ų5097.7 Ų97.741%0.41354%0.54SS..Hα-helixtrans-64.9-33.4174.600000113.9S277 G283S277-A279 PolarHBondContact O-N 2.93Å; S277-A279 VanDerWaalsContact O-N 3.07Å; S277-A279 PolarHBondContact OG-N 3.47Å; A279-G283 PolarHBondContact O-N 3.23Å
280Q71.7Confident69.5Low96 Ų9699.3 Ų99.345%0.44954%0.543SS..Hα-helixtrans-72.3-38.4173.7-67.9169.2-51.800111.5W276 S277 W278 G283 L284W276-Q280 HydrophobicContact CE3-CB 3.78Å; W276-Q280 HydrophobicContact CZ3-CB 4.29Å; S277-Q280 WeakPolarHBondContact O-CA 3.32Å; S277-Q280 WeakPolarHBondContact O-CB 3.5Å; S277-Q280 PolarHBondContact O-N 2.81Å; W278-Q280 PolarHBondContact O-N 3.49Å; Q280-G283 PolarHBondContact O-N 2.88Å; Q280-L284 PolarHBondContact O-N 3.25Å
281Y75.6Confident71.9Confident133 Ų133101 Ų10152%0.52254%0.543SS..Hα-helixtrans-61.4-43.2170.8-80.9-67.5000112W276 S277 W278 T285W276-Y281 HydrophobicContact CB-CD2 3.86Å; W276-Y281 HydrophobicContact CB-CE1 4.48Å; W276-Y281 HydrophobicContact CB-CE2 3.33Å; W276-Y281 HydrophobicContact CG-CE2 4.33Å; W276-Y281 WeakPolarHBondContact O-CE2 3.36Å; S277-Y281 PolarHBondContact O-N 3.06Å; W278-Y281 PolarHBondContact O-N 2.89Å; Y281-T285 WeakPolarHBondContact O-CB 3.47Å; Y281-T285 WeakPolarHBondContact O-CG2 3.42Å; Y281-T285 PolarHBondContact O-N 2.7Å; Y281-T285 PolarHBondContact O-OG1 3.47Å
282F79Confident74Confident141 Ų14199.9 Ų99.962%0.61853%0.531SS*.Hα-helixtrans-64.3-38.7172.4-81.5-70.8000112.2W278 T285 F286W278-F282 AromaticContact CE3-CD2 3.72Å; W278-F282 HydrophobicContact CE3-CD2 3.72Å; W278-F282 AromaticContact CE3-CE2 3.93Å; W278-F282 HydrophobicContact CE3-CE2 3.93Å; W278-F282 HydrophobicContact CZ3-CD2 4.26Å; W278-F282 WeakPolarHBondContact O-CD2 3.48Å; W278-F282 PolarHBondContact O-N 3.22Å; F282-T285 WeakPolarHBondContact CA-OG1 3.2Å; F282-T285 PolarHBondContact O-OG1 3.01Å; F282-F286 WeakPolarHBondContact O-CB 3.19Å; F282-F286 PolarHBondContact O-N 3.1Å
283G85.3Confident76.1Confident34 Ų3494.5 Ų94.535%0.35151%0.513SS..Hα-helixtrans-60.3-53.6174.500000112.7A279 Q280 T285 F286 V287A279-G283 PolarHBondContact O-N 3.23Å; Q280-G283 PolarHBondContact O-N 2.88Å; G283-T285 PolarHBondContact O-N 3.13Å; G283-F286 PolarHBondContact O-N 3.04Å; G283-V287 WeakPolarHBondContact O-CB 3.39Å; G283-V287 WeakPolarHBondContact O-CG2 3.39Å; G283-V287 PolarHBondContact O-N 2.87Å
284L85.1Confident78.4Confident103 Ų10396.1 Ų96.154%0.53952%0.517SS..Hα-helixtrans-62.2-42178.5-96.2168.2000112.7W276 Q280 G288W276-L284 HydrophobicContact CE3-CD1 4.16Å; W276-L284 HydrophobicContact CH2-CD1 3.81Å; W276-L284 HydrophobicContact CZ3-CD1 3.42Å; W276-L284 VanDerWaalsContact CZ3-CD1 3.42Å; Q280-L284 PolarHBondContact O-N 3.25Å; L284-G288 PolarHBondContact O-N 3.4Å
285T84.7Confident80.4Confident75 Ų7595.2 Ų95.246%0.4650%0.502SS..Hα-helixtrans-70.5-34.1177.551.90000112.5Y281 F282 G283 A289Y281-T285 WeakPolarHBondContact O-CB 3.47Å; Y281-T285 WeakPolarHBondContact O-CG2 3.42Å; Y281-T285 PolarHBondContact O-N 2.7Å; Y281-T285 PolarHBondContact O-OG1 3.47Å; F282-T285 WeakPolarHBondContact CA-OG1 3.2Å; F282-T285 PolarHBondContact O-OG1 3.01Å; G283-T285 PolarHBondContact O-N 3.13Å; T285-A289 WeakPolarHBondContact O-CB 3.45Å; T285-A289 PolarHBondContact O-N 3.39Å
286F85.6Confident82.4Confident139 Ų13993 Ų9361%0.6150%0.495SS*.Hα-helixtrans-68.4-45.1173.7-176.8-103.2000112.2F282 G283 A289 L290F282-F286 WeakPolarHBondContact O-CB 3.19Å; F282-F286 PolarHBondContact O-N 3.1Å; G283-F286 PolarHBondContact O-N 3.04Å; F286-A289 PolarHBondContact O-N 2.82Å; F286-L290 HydrophobicContact CD1-CD1 3.93Å; F286-L290 HydrophobicContact CE1-CD1 3.48Å; F286-L290 VanDerWaalsContact CE1-CD1 3.48Å; F286-L290 HydrophobicContact CE1-CG 4.3Å; F286-L290 HydrophobicContact CZ-CD1 3.95Å; F286-L290 HydrophobicContact CZ-CG 4.42Å; F286-L290 PolarHBondContact O-N 3.45Å
287V90Very high84Confident75 Ų7590.4 Ų90.446%0.45549%0.494SS..Hα-helixtrans-64.5-43.8174.9171.80000110.9G283 A289 L290 I291G283-V287 WeakPolarHBondContact O-CB 3.39Å; G283-V287 WeakPolarHBondContact O-CG2 3.39Å; G283-V287 PolarHBondContact O-N 2.87Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-A289 PolarHBondContact O-N 3.17Å; V287-L290 PolarHBondContact O-N 2.92Å; V287-I291 HydrophobicContact CG1-CD1 3.79Å; V287-I291 HydrophobicContact CG1-CG1 4.43Å; V287-I291 WeakPolarHBondContact O-CB 3.49Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 2.84Å
288G89.2Confident85Confident29 Ų2992.1 Ų92.130%0.29950%0.502SS..Hα-helixtrans-60.9-39.817400000113L284 I291 L292L284-G288 PolarHBondContact O-N 3.4Å; G288-I291 PolarHBondContact O-N 3.24Å; G288-L292 WeakPolarHBondContact O-CB 3.44Å; G288-L292 WeakPolarHBondContact O-CG 3.28Å; G288-L292 PolarHBondContact O-N 2.82Å
289A88.4Confident86Confident62 Ų6287.5 Ų87.551%0.51249%0.491SS..Hα-helixtrans-68-37.117500000112.8T285 F286 V287 G293T285-A289 WeakPolarHBondContact O-CB 3.45Å; T285-A289 PolarHBondContact O-N 3.39Å; F286-A289 PolarHBondContact O-N 2.82Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-A289 PolarHBondContact O-N 3.17Å; A289-G293 WeakPolarHBondContact O-CA 3.5Å; A289-G293 PolarHBondContact O-N 3.36Å
290L89.1Confident86.8Confident93 Ų9391.4 Ų91.449%0.48750%0.498SS..Hα-helixtrans-65.8-45.3172.1-79.7173.1000111.8F286 V287 G293 L294F286-L290 HydrophobicContact CD1-CD1 3.93Å; F286-L290 HydrophobicContact CE1-CD1 3.48Å; F286-L290 VanDerWaalsContact CE1-CD1 3.48Å; F286-L290 HydrophobicContact CE1-CG 4.3Å; F286-L290 HydrophobicContact CZ-CD1 3.95Å; F286-L290 HydrophobicContact CZ-CG 4.42Å; F286-L290 PolarHBondContact O-N 3.45Å; V287-L290 PolarHBondContact O-N 2.92Å; L290-G293 PolarHBondContact O-N 2.87Å; L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 3.33Å
291I91.2Very high87.6Confident95 Ų9591.7 Ų91.749%0.48750%0.503SS..Hα-helixtrans-61.2-49177.8-70.8168.8000110.2V287 G288 G293 L294 L295V287-I291 HydrophobicContact CG1-CD1 3.79Å; V287-I291 HydrophobicContact CG1-CG1 4.43Å; V287-I291 WeakPolarHBondContact O-CB 3.49Å; V287-I291 WeakPolarHBondContact O-CG1 3.43Å; V287-I291 PolarHBondContact O-N 2.84Å; G288-I291 PolarHBondContact O-N 3.24Å; I291-G293 VanDerWaalsContact C-N 3.35Å; I291-G293 PolarHBondContact O-N 2.85Å; I291-L294 PolarHBondContact O-N 3.3Å; I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 PolarHBondContact O-N 3.28Å
292L89.3Confident88.3Confident94 Ų9489.5 Ų89.549%0.49250%0.503SS..Hα-helixtrans-63.9-38.8175.2-72.3171.4000112.3G288 L294 L295 I296G288-L292 WeakPolarHBondContact O-CB 3.44Å; G288-L292 WeakPolarHBondContact O-CG 3.28Å; G288-L292 PolarHBondContact O-N 2.82Å; L292-L294 PolarHBondContact O-N 3.42Å; L292-L295 PolarHBondContact O-N 2.88Å; L292-I296 HydrophobicContact CB-CD1 4.49Å; L292-I296 WeakPolarHBondContact O-CB 3.25Å; L292-I296 WeakPolarHBondContact O-CD1 3.07Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.4Å; L292-I296 PolarHBondContact O-N 3.38Å
293G89.2Confident88.8Confident45 Ų4587 Ų8746%0.46450%0.495SS..Hα-helixtrans-63.3-24.7176.300000114.2A289 L290 I291 P297A289-G293 WeakPolarHBondContact O-CA 3.5Å; A289-G293 PolarHBondContact O-N 3.36Å; L290-G293 PolarHBondContact O-N 2.87Å; I291-G293 VanDerWaalsContact C-N 3.35Å; I291-G293 PolarHBondContact O-N 2.85Å; G293-P297 WeakPolarHBondContact O-CD 3.38Å; G293-P297 WeakPolarHBondContact O-CG 3.17Å
294L89.6Confident88.9Confident120 Ų12089.3 Ų89.363%0.62850%0.499SS*.Hα-helixtrans-91.7-40.1171-70.3169.9000112.4L290 I291 L292 P297 V298L290-L294 WeakPolarHBondContact O-CG 3.43Å; L290-L294 PolarHBondContact O-N 3.33Å; I291-L294 PolarHBondContact O-N 3.3Å; L292-L294 PolarHBondContact O-N 3.42Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-P297 WeakPolarHBondContact O-CG 3.43Å; L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.19Å; L294-V298 PolarHBondContact O-N 2.88Å
295L91.1Very high89.1Confident90 Ų9089.4 Ų89.447%0.47150%0.499SS..Hα-helixtrans-63.9-44.9-179.3-108.8168.9000112.2I291 L292 V298 L299I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 PolarHBondContact O-N 3.28Å; L292-L295 PolarHBondContact O-N 2.88Å; L295-V298 PolarHBondContact O-N 3.38Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 PolarHBondContact O-N 3.27Å
296I89.4Confident89.2Confident115 Ų11593.1 Ų93.159%0.5951%0.505SS*.Hα-helixtrans-57.8-53.7-177.9-68.9166.1000112.2L292 L299 F300L292-I296 HydrophobicContact CB-CD1 4.49Å; L292-I296 WeakPolarHBondContact O-CB 3.25Å; L292-I296 WeakPolarHBondContact O-CD1 3.07Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.4Å; L292-I296 PolarHBondContact O-N 3.38Å; I296-L299 PolarHBondContact O-N 3.46Å; I296-F300 VanDerWaalsContact O-CB 3.32Å; I296-F300 WeakPolarHBondContact O-CB 3.38Å; I296-F300 PolarHBondContact O-N 2.82Å
297P89.2Confident89.1Confident68 Ų6888.3 Ų88.344%0.44249%0.49SS..Hα-helixtrans-66.9-36.2177.824.7-33.2000113G293 L294 F300 L301G293-P297 WeakPolarHBondContact O-CD 3.38Å; G293-P297 WeakPolarHBondContact O-CG 3.17Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-P297 WeakPolarHBondContact O-CG 3.43Å; P297-F300 PolarHBondContact O-N 3.22Å; P297-L301 VanDerWaalsContact O-CB 3.31Å; P297-L301 WeakPolarHBondContact O-CB 3.12Å; P297-L301 PolarHBondContact O-N 3.08Å
298V89.9Confident88.8Confident87 Ų8788 Ų8853%0.52749%0.491SS..Hα-helixtrans-63.8-45.6175.8169.70000111.2L294 L295 L301 V302L294-V298 WeakPolarHBondContact O-CB 3.42Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.19Å; L294-V298 PolarHBondContact O-N 2.88Å; L295-V298 PolarHBondContact O-N 3.38Å; V298-L301 WeakPolarHBondContact O-CB 3.46Å; V298-L301 PolarHBondContact O-N 2.87Å; V298-V302 WeakPolarHBondContact O-CG2 3.41Å; V298-V302 PolarHBondContact O-N 3.35Å
299L90.7Very high88.4Confident93 Ų9394.6 Ų94.649%0.48751%0.507SS..Hα-helixtrans-68.5-37.1-179.8-153.6165.9000110.7L295 I296 V302 I303L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 PolarHBondContact O-N 3.27Å; I296-L299 PolarHBondContact O-N 3.46Å; L299-V302 PolarHBondContact O-N 3.22Å; L299-I303 HydrophobicContact CD2-CD1 3.48Å; L299-I303 VanDerWaalsContact CD2-CD1 3.48Å; L299-I303 HydrophobicContact CD2-CG1 4.03Å; L299-I303 WeakPolarHBondContact O-CB 3.42Å; L299-I303 WeakPolarHBondContact O-CG1 3.17Å; L299-I303 PolarHBondContact O-N 3.32Å
300F89.6Confident88Confident132 Ų13299.5 Ų99.558%0.57951%0.512SS*.Hα-helixtrans-62.1-42.3170.3-173.9-106000112.4I296 P297 I303 L304I296-F300 VanDerWaalsContact O-CB 3.32Å; I296-F300 WeakPolarHBondContact O-CB 3.38Å; I296-F300 PolarHBondContact O-N 2.82Å; P297-F300 PolarHBondContact O-N 3.22Å; F300-I303 PolarHBondContact O-N 3.48Å; F300-L304 HydrophobicContact CD1-CD1 3.9Å; F300-L304 HydrophobicContact CD1-CG 4.42Å; F300-L304 HydrophobicContact CE1-CD1 3.57Å; F300-L304 HydrophobicContact CE1-CG 4.19Å; F300-L304 HydrophobicContact CZ-CD1 4.2Å; F300-L304 HydrophobicContact CZ-CG 4.44Å; F300-L304 WeakPolarHBondContact O-CG 3.41Å; F300-L304 PolarHBondContact O-N 3.26Å
301L89.1Confident87.2Confident102 Ų102104.1 Ų104.153%0.53452%0.523SS..Hα-helixtrans-65.1-41.2176.3-154.7169.2000111.1P297 V298 L304 I305P297-L301 VanDerWaalsContact O-CB 3.31Å; P297-L301 WeakPolarHBondContact O-CB 3.12Å; P297-L301 PolarHBondContact O-N 3.08Å; V298-L301 WeakPolarHBondContact O-CB 3.46Å; V298-L301 PolarHBondContact O-N 2.87Å; L301-L304 PolarHBondContact O-N 2.85Å; L301-I305 HydrophobicContact CD2-CD1 3.42Å; L301-I305 VanDerWaalsContact CD2-CD1 3.42Å; L301-I305 HydrophobicContact CD2-CG1 3.95Å; L301-I305 WeakPolarHBondContact O-CG1 3.28Å; L301-I305 PolarHBondContact O-N 3.46Å
302V90.3Very high85.8Confident87 Ų87105.7 Ų105.753%0.52753%0.528SS..Hα-helixtrans-62.7-41.8172.5170.20000111.7V298 L299 I305 W306V298-V302 WeakPolarHBondContact O-CG2 3.41Å; V298-V302 PolarHBondContact O-N 3.35Å; L299-V302 PolarHBondContact O-N 3.22Å; V302-I305 PolarHBondContact O-N 2.82Å; V302-W306 WeakPolarHBondContact O-CB 3.32Å; V302-W306 PolarHBondContact O-N 3.25Å
303I89.4Confident84.3Confident88 Ų88107.1 Ų107.145%0.45153%0.532SS..Hα-helixtrans-63.2-41.2174.3-73.4167.7000111L299 F300 W306 A307L299-I303 HydrophobicContact CD2-CD1 3.48Å; L299-I303 VanDerWaalsContact CD2-CD1 3.48Å; L299-I303 HydrophobicContact CD2-CG1 4.03Å; L299-I303 WeakPolarHBondContact O-CB 3.42Å; L299-I303 WeakPolarHBondContact O-CG1 3.17Å; L299-I303 PolarHBondContact O-N 3.32Å; F300-I303 PolarHBondContact O-N 3.48Å; I303-W306 PolarHBondContact O-N 3.44Å; I303-A307 VanDerWaalsContact O-CB 3.28Å; I303-A307 WeakPolarHBondContact O-CB 3.45Å; I303-A307 PolarHBondContact O-N 3.21Å
304L87.7Confident82.7Confident84 Ų84108.8 Ų108.844%0.4454%0.541SS..Hα-helixtrans-63.5-46.2174.7-74.8176.1000111.8F300 L301 W306 A307 C308F300-L304 HydrophobicContact CD1-CD1 3.9Å; F300-L304 HydrophobicContact CD1-CG 4.42Å; F300-L304 HydrophobicContact CE1-CD1 3.57Å; F300-L304 HydrophobicContact CE1-CG 4.19Å; F300-L304 HydrophobicContact CZ-CD1 4.2Å; F300-L304 HydrophobicContact CZ-CG 4.44Å; F300-L304 WeakPolarHBondContact O-CG 3.41Å; F300-L304 PolarHBondContact O-N 3.26Å; L301-L304 PolarHBondContact O-N 2.85Å; L304-W306 VanDerWaalsContact C-N 3.31Å; L304-W306 PolarHBondContact O-N 2.71Å; L304-A307 PolarHBondContact O-N 2.9Å; L304-C308 WeakPolarHBondContact O-CB 3.38Å; L304-C308 PolarHBondContact O-N 3.09Å; L304-C308 PolarHBondContact O-SG 2.88Å; L304-C308 VanDerWaalsContact O-SG 3.33Å
305I88Confident80.8Confident104 Ų104109.9 Ų109.953%0.53355%0.545SS..Hα-helixtrans-58.5-44.5174.5-72.5169.9000110.6L301 V302 R309L301-I305 HydrophobicContact CD2-CD1 3.42Å; L301-I305 VanDerWaalsContact CD2-CD1 3.42Å; L301-I305 HydrophobicContact CD2-CG1 3.95Å; L301-I305 WeakPolarHBondContact O-CG1 3.28Å; L301-I305 PolarHBondContact O-N 3.46Å; V302-I305 PolarHBondContact O-N 2.82Å; I305-R309 VanDerWaalsContact O-CB 3.24Å; I305-R309 WeakPolarHBondContact O-CB 3.47Å; I305-R309 PolarHBondContact O-N 3.27Å
306W87.5Confident78.5Confident153 Ų153114.4 Ų114.458%0.5856%0.563SS**Hα-helixtrans-65.5-42.1178.3-177.787.3000112.4V302 I303 L304 R309 R310V302-W306 WeakPolarHBondContact O-CB 3.32Å; V302-W306 PolarHBondContact O-N 3.25Å; I303-W306 PolarHBondContact O-N 3.44Å; L304-W306 VanDerWaalsContact C-N 3.31Å; L304-W306 PolarHBondContact O-N 2.71Å; W306-R309 PolarHBondContact O-N 3.2Å; W306-R310 VanDerWaalsContact CH2-NH1 3.3Å; W306-R310 VanDerWaalsContact O-CB 3.27Å; W306-R310 WeakPolarHBondContact O-CB 3.39Å; W306-R310 PolarHBondContact O-N 2.88Å
307A83.4Confident76.3Confident38 Ų38111.8 Ų111.831%0.31456%0.555SS.*Hα-helixtrans-65.7-43.4176.600000112I303 L304 R310 R311I303-A307 VanDerWaalsContact O-CB 3.28Å; I303-A307 WeakPolarHBondContact O-CB 3.45Å; I303-A307 PolarHBondContact O-N 3.21Å; L304-A307 PolarHBondContact O-N 2.9Å; A307-R310 PolarHBondContact O-N 2.71Å; A307-R311 WeakPolarHBondContact O-CG 3.29Å; A307-R311 PolarHBondContact O-N 3.12Å
308C83.2Confident74.1Confident69 Ų69115.9 Ų115.947%0.46657%0.573SS.*Hα-helixtrans-62.5-48173.5-72.10000111.2L304 R310 R311 H312L304-C308 WeakPolarHBondContact O-CB 3.38Å; L304-C308 PolarHBondContact O-N 3.09Å; L304-C308 PolarHBondContact O-SG 2.88Å; L304-C308 VanDerWaalsContact O-SG 3.33Å; C308-R310 VanDerWaalsContact C-N 3.33Å; C308-R310 PolarHBondContact O-N 3.19Å; C308-R311 PolarHBondContact O-N 3.02Å; C308-R311 VanDerWaalsContact O-N 3.17Å; C308-H312 PolarHBondContact O-CD2 2.73Å; C308-H312 VanDerWaalsContact O-CD2 3.24Å; C308-H312 PolarHBondContact O-N 3.47Å
309R81.4Confident71.9Confident168 Ų168120.8 Ų120.863%0.63458%0.584SS**Hα-helixtrans-59.3-42.1175.2179.4171.9172.1174.7-5.3111.8I305 W306 R311 H312 H313I305-R309 VanDerWaalsContact O-CB 3.24Å; I305-R309 WeakPolarHBondContact O-CB 3.47Å; I305-R309 PolarHBondContact O-N 3.27Å; W306-R309 PolarHBondContact O-N 3.2Å; R309-R311 PolarHBondContact O-N 2.85Å; R309-H312 PolarHBondContact O-N 2.89Å; R309-H313 PolarHBondContact NE-NE2 3.34Å; R309-H313 PolarHBondContact O-CD2 3.21Å; R309-H313 PolarHBondContact O-N 3.39Å
310R79.5Confident69.6Low164 Ų164120.4 Ų120.462%0.61959%0.585SS**Hα-helixtrans-65.7-36.1176.6-168.4172.7-177.5-1790.2112.1W306 A307 C308 H313 A314W306-R310 VanDerWaalsContact CH2-NH1 3.3Å; W306-R310 VanDerWaalsContact O-CB 3.27Å; W306-R310 WeakPolarHBondContact O-CB 3.39Å; W306-R310 PolarHBondContact O-N 2.88Å; A307-R310 PolarHBondContact O-N 2.71Å; C308-R310 VanDerWaalsContact C-N 3.33Å; C308-R310 PolarHBondContact O-N 3.19Å; R310-H313 PolarHBondContact O-N 3.25Å; R310-A314 WeakPolarHBondContact O-CB 3.45Å; R310-A314 PolarHBondContact O-N 2.88Å
311R72Confident67.4Low191 Ų191121.4 Ų121.472%0.72160%0.596SS**Hα-helixtrans-67-40.7170.8-76.2-176.9174-169.5-1.3112.5A307 C308 R309 H313 A314 M315A307-R311 WeakPolarHBondContact O-CG 3.29Å; A307-R311 PolarHBondContact O-N 3.12Å; C308-R311 PolarHBondContact O-N 3.02Å; C308-R311 VanDerWaalsContact O-N 3.17Å; R309-R311 PolarHBondContact O-N 2.85Å; R311-H313 VanDerWaalsContact C-N 3.29Å; R311-H313 PolarHBondContact O-N 2.99Å; R311-A314 PolarHBondContact O-N 2.93Å; R311-A314 VanDerWaalsContact O-N 3.1Å; R311-M315 PolarHBondContact O-N 3.46Å
312H62.6Low65.1Low127 Ų127119.8 Ų119.859%0.58859%0.594SS**Hα-helixtrans-65.4-28174.1-81.4-70.5000113.7C308 R309C308-H312 PolarHBondContact O-CD2 2.73Å; C308-H312 VanDerWaalsContact O-CD2 3.24Å; C308-H312 PolarHBondContact O-N 3.47Å; R309-H312 PolarHBondContact O-N 2.89Å
313H57.6Low62.7Low125 Ų125122.9 Ų122.958%0.57960%0.6SS**Hα-helixtrans-80-24.7169.8-69.7-58.4000113.5R309 R310 R311R309-H313 PolarHBondContact NE-NE2 3.34Å; R309-H313 PolarHBondContact O-CD2 3.21Å; R309-H313 PolarHBondContact O-N 3.39Å; R310-H313 PolarHBondContact O-N 3.25Å; R311-H313 VanDerWaalsContact C-N 3.29Å; R311-H313 PolarHBondContact O-N 2.99Å
314A55.9Low60.7Low79 Ų79124 Ų12465%0.65361%0.607SS**Hα-helixtrans-80.7-25.2176.600000113.4R310 R311R310-A314 WeakPolarHBondContact O-CB 3.45Å; R310-A314 PolarHBondContact O-N 2.88Å; R311-A314 PolarHBondContact O-N 2.93Å; R311-A314 VanDerWaalsContact O-N 3.1Å
315M49.9Very low58.6Low144 Ų144129.5 Ų129.571%0.70963%0.627SS**SBendtrans-94.599.5173.4-69.4-170.6172.200110.5R311 S317R311-M315 PolarHBondContact O-N 3.46Å; M315-S317 PolarHBondContact O-N 2.9Å
316H43.1Very low56.5Low185 Ų185128.6 Ų128.686%0.85663%0.63SS**  trans-65.473.4170.4-90.8-98000111.6
317S42.9Very low54.7Low59 Ų59124.5 Ų124.541%0.41362%0.622SS.*  trans-103.6124167.2175.40000109.1M315 Y319 T320M315-S317 PolarHBondContact O-N 2.9Å; S317-Y319 PolarHBondContact O-N 3.21Å; S317-T320 PolarHBondContact O-N 2.83Å; S317-T320 PolarHBondContact O-OG1 2.94Å
318N43.2Very low53Low154 Ų154126.9 Ų126.982%0.82463%0.629SS**THydrogen-bonded Turntrans-69.47.6-176.5-74.4-29.7000114.6
319Y42.3Very low51.3Low191 Ų191128.9 Ų128.975%0.74964%0.635SS**THydrogen-bonded Turntrans-94.9-6.6178.4-83.8-91.1000115S317 N321 S322S317-Y319 PolarHBondContact O-N 3.21Å; Y319-N321 PolarHBondContact O-N 3.31Å; Y319-S322 PolarHBondContact O-N 2.93Å; Y319-S322 PolarHBondContact O-OG 2.97Å
320T42.3Very low49.5Very low84 Ų84130.9 Ų130.952%0.51564%0.643SS.*THydrogen-bonded Turntrans-72.6-3.7-174.653.60000115.3S317 S322S317-T320 PolarHBondContact O-N 2.83Å; S317-T320 PolarHBondContact O-OG1 2.94Å; T320-S322 PolarHBondContact O-N 3.26Å
321N43.8Very low47.8Very low153 Ų153131.8 Ų131.882%0.81865%0.647SS**THydrogen-bonded Turntrans-72.5-0.5170-79-53.7000114.1Y319 K323Y319-N321 PolarHBondContact O-N 3.31Å; N321-K323 PolarHBondContact O-N 2.9Å
322S42.3Very low46.4Very low69 Ų69132.4 Ų132.448%0.48365%0.651SS.*  trans-68.5112.1177.8-56.60000111.2Y319 T320 L324Y319-S322 PolarHBondContact O-N 2.93Å; Y319-S322 PolarHBondContact O-OG 2.97Å; T320-S322 PolarHBondContact O-N 3.26Å; S322-L324 PolarHBondContact O-N 2.89Å
323K39.8Very low46.1Very low151 Ų151132.4 Ų132.466%0.65765%0.654SS**THydrogen-bonded Turntrans-67.734.3-178.6-66.2-175.8174.4-178.40115.2N321 T327N321-K323 PolarHBondContact O-N 2.9Å; K323-T327 PolarHBondContact O-OG1 3.32Å
324L47.4Very low45.6Very low113 Ų113128.9 Ų128.959%0.59265%0.651SS**THydrogen-bonded Turntrans-91.3-19.4-166.7-63.3175.3000114.5S322S322-L324 PolarHBondContact O-N 2.89Å
325F43Very low44.7Very low199 Ų199128 Ų12887%0.87365%0.65SS**SBendtrans-120.5-0.4-170.8-76.2-77.4000116.5
326S43.4Very low44.3Very low85 Ų85129.5 Ų129.559%0.59465%0.653SS**SBendtrans-123.7-30.8-179.255.40000114.9
327T48.7Very low44.3Very low66 Ų66128.5 Ų128.541%0.40565%0.648SS.*SBendtrans-93.9-31-177.743.60000114.2K323K323-T327 PolarHBondContact O-OG1 3.32Å
328N49.4Very low44.3Very low88 Ų88131.7 Ų131.747%0.47166%0.66SS.*Hα-helixtrans-73.9-32.1179.7-83.8-4.3000113.5W330 Y331 Y332N328-W330 VanDerWaalsContact C-N 3.33Å; N328-W330 PolarHBondContact O-N 3.37Å; N328-Y331 PolarHBondContact O-N 2.89Å; N328-Y331 VanDerWaalsContact O-N 3.13Å; N328-Y332 PolarHBondContact O-N 3.31Å
329L46.3Very low44.4Very low111 Ų111129.2 Ų129.258%0.58165%0.653SS**Hα-helixtrans-66.2-36.4-177.8-163.572.9000112.1Y331 Y332 I333L329-Y331 VanDerWaalsContact C-N 3.34Å; L329-Y332 PolarHBondContact O-N 2.88Å; L329-I333 HydrophobicContact CD1-CD1 4.16Å; L329-I333 HydrophobicContact CD2-CD1 4.19Å; L329-I333 HydrophobicContact CG-CD1 3.78Å; L329-I333 HydrophobicContact CG-CG1 4.4Å; L329-I333 WeakPolarHBondContact O-CB 3.18Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.4Å
330W44.1Very low44.2Very low211 Ų211127.8 Ų127.880%0.79966%0.659SS**Hα-helixtrans-68.5-31173-86.486000113N328 G334N328-W330 VanDerWaalsContact C-N 3.33Å; N328-W330 PolarHBondContact O-N 3.37Å; W330-G334 WeakPolarHBondContact O-CA 3.42Å; W330-G334 PolarHBondContact O-N 2.85Å
331Y44.5Very low44.1Very low182 Ų182129.5 Ų129.571%0.71467%0.665SS**Hα-helixtrans-71.2-35171.9-97.2-94.2000112.7N328 L329 I338N328-Y331 PolarHBondContact O-N 2.89Å; N328-Y331 VanDerWaalsContact O-N 3.13Å; L329-Y331 VanDerWaalsContact C-N 3.34Å; Y331-I338 HydrophobicContact CE1-CD1 4.43Å
332Y41.5Very low44.2Very low204 Ų204127.7 Ų127.780%0.866%0.661SS**Hα-helixtrans-81.9-28.3178.5-92.5-88.1000114.7N328 L329N328-Y332 PolarHBondContact O-N 3.31Å; L329-Y332 PolarHBondContact O-N 2.88Å
333I56.3Low44.2Very low128 Ų128131.1 Ų131.166%0.65667%0.674SS**Hα-helixtrans-89.7-21.8175.6-64.1177.8000111.5L329 G335L329-I333 HydrophobicContact CD1-CD1 4.16Å; L329-I333 HydrophobicContact CD2-CD1 4.19Å; L329-I333 HydrophobicContact CG-CD1 3.78Å; L329-I333 HydrophobicContact CG-CG1 4.4Å; L329-I333 WeakPolarHBondContact O-CB 3.18Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.4Å; I333-G335 PolarHBondContact O-N 2.98Å; I333-G335 VanDerWaalsContact O-N 3.1Å
334G47Very low43.9Very low50 Ų50126.8 Ų126.852%0.51567%0.672SS.*SBendtrans-69.1-4.2-174.300000116.5W330 K336W330-G334 WeakPolarHBondContact O-CA 3.42Å; W330-G334 PolarHBondContact O-N 2.85Å; G334-K336 PolarHBondContact O-N 3.48Å
335G36.7Very low43.3Very low61 Ų61131.3 Ų131.363%0.62969%0.688SS**  trans64.5-12.7167.100000117.8I333 E337I333-G335 PolarHBondContact O-N 2.98Å; I333-G335 VanDerWaalsContact O-N 3.1Å; G335-E337 PolarHBondContact O-N 3.07Å; G335-E337 VanDerWaalsContact O-N 3.17Å
336K42.9Very low43Very low176 Ų176133.3 Ų133.377%0.76569%0.689SS**  trans-78.5102.3-172.8-171.9173-175.1175.60111.1G334 I338G334-K336 PolarHBondContact O-N 3.48Å; K336-I338 PolarHBondContact O-N 3.3Å
337E43.5Very low42.6Very low163 Ų163132.6 Ų132.676%0.76270%0.695SS**  trans-59.9107.5169.149.8-95.3113.900110.8G335 C339G335-E337 PolarHBondContact O-N 3.07Å; G335-E337 VanDerWaalsContact O-N 3.17Å; E337-C339 PolarHBondContact O-N 2.86Å
338I41.9Very low41.8Very low127 Ų127135.8 Ų135.865%0.65172%0.72SS**  trans-82.799.8166-60178.2000105.8Y331 K336Y331-I338 HydrophobicContact CE1-CD1 4.43Å; K336-I338 PolarHBondContact O-N 3.3Å
339C44.2Very low41.1Very low102 Ų102136.4 Ų136.469%0.68973%0.731SS**  trans-52.1147.5173.4-52.80000110.9E337 D341E337-C339 PolarHBondContact O-N 2.86Å; C339-D341 PolarHBondContact O-N 3.22Å; C339-D341 VanDerWaalsContact O-N 3.15Å
340D39.4Very low40.7Very low161 Ų161135.6 Ų135.686%0.86174%0.735SS**  trans-53.7115.5-169.1-54-98.3000113.2P342D340-P342 WeakPolarHBondContact O-CD 3.41Å
341D39.9Very low40.2Very low120 Ų120134.5 Ų134.564%0.64274%0.741SS**  trans-105.487.3166.3-168.3-10.7000108.9C339 N343 G344C339-D341 PolarHBondContact O-N 3.22Å; C339-D341 VanDerWaalsContact O-N 3.15Å; D341-N343 PolarHBondContact O-N 2.85Å; D341-G344 PolarHBondContact O-N 3.22Å
342P44.9Very low39.7Very low115 Ų115132.6 Ų132.675%0.74774%0.742SS**THydrogen-bonded Turntrans-68.94.9-167.228.2-36.9000114.6D340D340-P342 WeakPolarHBondContact O-CD 3.41Å
343N42.3Very low39.2Very low140 Ų140134.7 Ų134.775%0.74975%0.749SS**THydrogen-bonded Turntrans-115.63.6178.8-66.3-70.2000114.1D341 F345D341-N343 PolarHBondContact O-N 2.85Å; N343-F345 PolarHBondContact O-N 2.95Å
344G34.9Very low38.2Very low60 Ų60133.9 Ų133.962%0.61975%0.754SS**  trans-63.13.5-172.200000117.9D341 R346D341-G344 PolarHBondContact O-N 3.22Å; G344-R346 PolarHBondContact O-N 3.45Å
345F33.8Very low37.6Very low209 Ų209140.9 Ų140.992%0.91777%0.771SS**  trans-79.236.6-170.7-123.4-78.7000115.5N343N343-F345 PolarHBondContact O-N 2.95Å
346R38.3Very low37.5Very low241 Ų241146.5 Ų146.591%0.90978%0.781SS**  trans-14792.5169.6-85.2-178.7-174.7-109.6-1.5111.5G344G344-R346 PolarHBondContact O-N 3.45Å
347G33.6Very low36.9Very low70 Ų70147.2 Ų147.272%0.72278%0.784SS**  trans-158.4-22.7175.900000115.5S349G347-S349 PolarHBondContact O-N 2.8Å
348S31.3Very low36.4Very low132 Ų132145.4 Ų145.492%0.92378%0.78SS**  trans-75.759.5-180-56.80000114
349S36.6Very low36Very low101 Ų101144.9 Ų144.971%0.70679%0.787SS**  trans-138.1139.4176-74.80000112.6G347G347-S349 PolarHBondContact O-N 2.8Å
350S36.6Very low35.5Very low94 Ų94145.8 Ų145.866%0.65779%0.792SS**  trans4793.4159.358.10000118.4L352S350-L352 VanDerWaalsContact C-N 3.31Å; S350-L352 PolarHBondContact O-N 3.07Å
351M33.6Very low35.2Very low188 Ų188144 Ų14493%0.92679%0.792SS**  -72.196.7129.1-85.8-163.3-70.400107.9
352L35.1Very low35Very low142 Ų142142.8 Ų142.874%0.74380%0.799SS**  trans-131.2117.1167-81.6175.1000108.8S350S350-L352 VanDerWaalsContact C-N 3.31Å; S350-L352 PolarHBondContact O-N 3.07Å
353R31.4Very low34.4Very low248 Ų248144.4 Ų144.494%0.93681%0.807SS**  trans66.4148.2178.8-60.4176.5172.3-177.9-4.4112.7
354S33.9Very low34Very low111 Ų111141.4 Ų141.478%0.77681%0.808SS**  cis-138.414033.452.70000116.2
355K35.2Very low33.9Very low198 Ų198144.7 Ų144.786%0.86182%0.817SS**  trans-128.3160132.2-78.5-169.4174.9-176.60106.8
356Q33.7Very low34Very low179 Ų179142.4 Ų142.484%0.83681%0.813SS**SBendtrans69.789.4-177.7-62.3174.6-75.700116.9
357F31.4Very low33.9Very low190 Ų190139.8 Ų139.883%0.83382%0.816SS**  62.2142.7116.9-75.7-71.1000123.3
358N33Very low33.9Very low126 Ų126143.7 Ų143.767%0.67482%0.821SS**  trans88.2111.2154.8-65.3-3.6000120.4
359S32.3Very low34Very low115 Ų115140.7 Ų140.780%0.80481%0.811SS**  trans90.9123.3145.1-56.20000118.6
360P33.7Very low33.7Very low122 Ų122140 Ų14079%0.79282%0.819SS**  trans-96.3144.6179.736.8-33000113.1
361S34.2Very low33.5Very low123 Ų123139.7 Ų139.786%0.8683%0.831SS**  trans-178.7163146.5-89.50000113.3
362A36.3Very low33.4Very low95 Ų95134.7 Ų134.779%0.78583%0.827SS**  trans61.885.6155.500000118.4
363T32.5Very low33.2Very low149 Ų149131.2 Ų131.291%0.91483%0.826SS**  trans-40133.6145.8-340000112.3
364G32.1Very low33.4Very low76 Ų76128.3 Ų128.378%0.78482%0.823SS**  trans-169.6112.8173.900000112.6
365T33.7Very low33.3Very low129 Ų129129.9 Ų129.979%0.79182%0.818SS**  trans-92.4135.1-17245.30000114.1
366L35.2Very low33.5Very low162 Ų162127.9 Ų127.985%0.84882%0.816SS**  trans27.8123.9139.3-57.5174.4000119.2
367L35.8Very low33.5Very low185 Ų185127 Ų12797%0.96981%0.813SS**  trans-140.6170.1141.8-104.7174000110.7
368N34.7Very low33.7Very low153 Ų153125.8 Ų125.882%0.81882%0.815SS**  trans-135.2158.3-146.1-177.129.7000114.2
369G32.6Very low33.8Very low69 Ų69124.2 Ų124.271%0.71181%0.814SS**  trans117.2155155.600000117.7
370G31.7Very low33.7Very low86 Ų86126.2 Ų126.289%0.88782%0.815SS**  trans116.694.7169.800000114.9
371G30.9Very low33.7Very low87 Ų87124.1 Ų124.190%0.89781%0.808SS**  trans-98.2-178.6-179.400000115
372G31.9Very low33.6Very low83 Ų83126 Ų12686%0.85681%0.808SS**  trans169.981.717300000119.2
373G31.4Very low33.5Very low70 Ų70127 Ų12772%0.72281%0.805SS**  trans80.1163135.700000123.6
374H35.5Very low33.7Very low186 Ų186128.2 Ų128.286%0.86180%0.802SS**  trans79.763.8153.5-58.5-75.4000122.9
375H32.6Very low33.9Very low144 Ų144131.6 Ų131.667%0.66780%0.802SS**  14.6129117.8-178.5-84000121.5
376L38.4Very low34.5Very low156 Ų156133.3 Ų133.382%0.81781%0.806SS**  trans166.696139.6-92.9167.1000108.6
377M32.9Very low35.1Very low161 Ų161130.8 Ų130.879%0.79380%0.799SS**  54.8111.279.3-88.9-147.4164.600117.9
378L37.3Very low35Very low164 Ų164129.7 Ų129.786%0.85979%0.794SS**  trans-168.4115.7144.3-104153.8000111.1
379S34.6Very low35.3Very low93 Ų93128.6 Ų128.665%0.6579%0.793SS**  trans42.5122.8135-60.50000121.1
380N30.5Very low35.7Very low158 Ų158131.4 Ų131.485%0.84580%0.796SS**  64.8135.374.6-70.22000113.8
381A32.4Very low36.3Very low77 Ų77133 Ų13364%0.63679%0.788SS**  cis-166155.9-12.700000108.8
382D33.4Very low36.6Very low162 Ų162134.9 Ų134.987%0.86679%0.785SS**  trans-153.9109.3156-100.5-37000108.7
383V33Very low37Very low118 Ų118134.3 Ų134.372%0.71578%0.779SS**  trans-105.7124.1174.8177.40000106.9
384M36.9Very low37.3Very low173 Ų173134.9 Ų134.985%0.85279%0.785SS**  trans-127.5117.7173.7-71.3-66.3-73.500108.6
385D36.5Very low37.2Very low147 Ų147136.8 Ų136.879%0.78678%0.784SS**PPolyproline II helixtrans-68.2152-168.9-66.6-63.3000114.1
386L46.3Very low37.3Very low165 Ų165137 Ų13786%0.86480%0.795SS**PPolyproline II helixtrans-83.1128.1167.3-127.172.4000109.1
387P47.2Very low37.2Very low110 Ų110133.9 Ų133.971%0.71478%0.782SS**PPolyproline II helixtrans-75.2130.9176.829.4-33.5000111.5V389P387-V389 PolarHBondContact O-N 3.06Å
388D35.5Very low37.5Very low161 Ų161130.2 Ų130.286%0.86178%0.778SS**PPolyproline II helixtrans-59.1131171.3-86.3-47.3000111.8
389V40.6Very low37.3Very low130 Ų130130 Ų13079%0.78877%0.77SS**  trans-116.7102.2169.9-178.80000109P387 V391P387-V389 PolarHBondContact O-N 3.06Å; V389-V391 PolarHBondContact O-N 3.47Å
390V40.6Very low37.2Very low128 Ų128131.9 Ų131.978%0.77677%0.773SS**  trans-67121.1-174.4178.70000111.6
391V43.5Very low37.3Very low119 Ų119134.3 Ų134.372%0.72177%0.772SS**  trans-87.8123.4166.7178.60000109.6V389 G393V389-V391 PolarHBondContact O-N 3.47Å; V391-G393 PolarHBondContact O-N 3.36Å
392P38.1Very low37.5Very low128 Ų128135 Ų13583%0.83177%0.772SS**THydrogen-bonded Turntrans-67.7105.3172.8-1630.2000110.1
393G40.3Very low37.5Very low71 Ų71131.1 Ų131.173%0.73277%0.77SS**THydrogen-bonded Turntrans-180-16.5-176.400000117.1V391 R395V391-G393 PolarHBondContact O-N 3.36Å; G393-R395 VanDerWaalsContact C-N 3.34Å; G393-R395 PolarHBondContact O-N 2.68Å
394G36.6Very low37.6Very low82 Ų82133 Ų13385%0.84578%0.776SS**  trans71.414162.700000117.4
395R33.4Very low37.5Very low226 Ų226130.8 Ų130.885%0.85377%0.772SS**  trans-125.4103167.1-76.4-165.9174.4-151.3-1.1111.6G393 V397G393-R395 VanDerWaalsContact C-N 3.34Å; G393-R395 PolarHBondContact O-N 2.68Å; R395-V397 HydrophobicContact CB-CG2 4.38Å; R395-V397 PolarHBondContact O-N 2.7Å
396V36.5Very low37.4Very low147 Ų147132.3 Ų132.389%0.89178%0.78SS**  trans-72.8104.4163.1-178.30000107.5
397V36.1Very low36.8Very low91 Ų91127.9 Ų127.955%0.55277%0.774SS**  trans-97.891.3171.8-174.60000107.8R395 F399R395-V397 HydrophobicContact CB-CG2 4.38Å; R395-V397 PolarHBondContact O-N 2.7Å; V397-F399 HydrophobicContact CG1-CE1 4.18Å; V397-F399 HydrophobicContact CG1-CE2 4.32Å; V397-F399 HydrophobicContact CG1-CZ 4.08Å; V397-F399 WeakPolarHBondContact O-CD2 3.39Å; V397-F399 PolarHBondContact O-N 2.87Å
398A37.3Very low36.1Very low85 Ų85126.1 Ų126.170%0.70278%0.776SS**  trans-68.4111.716900000108.7N400A398-N400 PolarHBondContact O-N 3.29Å
399F33.8Very low36Very low158 Ų158125.6 Ų125.669%0.69377%0.773SS**  trans-75.173.4177.4-71.2-80.2000110.9V397 Y401V397-F399 HydrophobicContact CG1-CE1 4.18Å; V397-F399 HydrophobicContact CG1-CE2 4.32Å; V397-F399 HydrophobicContact CG1-CZ 4.08Å; V397-F399 WeakPolarHBondContact O-CD2 3.39Å; V397-F399 PolarHBondContact O-N 2.87Å; F399-Y401 HydrophobicContact CB-CD2 4.14Å; F399-Y401 HydrophobicContact CB-CE2 3.97Å; F399-Y401 PolarHBondContact O-N 2.87Å; F399-Y401 VanDerWaalsContact O-N 3.08Å
400N33.7Very low35.5Very low133 Ų133125 Ų12571%0.71177%0.769SS**  trans-71.996.6168.7-174.517.1000109.2A398 S402A398-N400 PolarHBondContact O-N 3.29Å; N400-S402 PolarHBondContact O-N 2.97Å
401Y31.4Very low35Very low210 Ų210125.7 Ų125.782%0.82477%0.768SS**  trans-74.969177.1-87.6-90.4000111.7F399F399-Y401 HydrophobicContact CB-CD2 4.14Å; F399-Y401 HydrophobicContact CB-CE2 3.97Å; F399-Y401 PolarHBondContact O-N 2.87Å; F399-Y401 VanDerWaalsContact O-N 3.08Å
402S37.1Very low34.4Very low92 Ų92129.3 Ų129.364%0.64377%0.769SS**  trans-101.568.4162.465.20000109.4N400 N404N400-S402 PolarHBondContact O-N 2.97Å; S402-N404 PolarHBondContact O-N 2.97Å; S402-N404 VanDerWaalsContact O-N 3.17Å
403G34Very low33.9Very low79 Ų79130.9 Ų130.981%0.81477%0.765SS**  trans-73.3102.3-179.800000111.3
404N33.9Very low33.5Very low159 Ų159133.3 Ų133.385%0.8576%0.761SS**  trans-135.5107.6167.4-1522.2000109.4S402S402-N404 PolarHBondContact O-N 2.97Å; S402-N404 VanDerWaalsContact O-N 3.17Å
405T34.2Very low33.2Very low125 Ų125136.4 Ų136.477%0.76775%0.753SS**  trans-94.4116.4-176.247.90000110.6
406L35.3Very low33.3Very low179 Ų179132.1 Ų132.194%0.93775%0.747SS**  trans177.5155.6151.7-102161.1000110.6
407G34.6Very low32.9Very low72 Ų72132.5 Ų132.574%0.74274%0.744SS**  trans94.2120.3163.400000116.1
408G30.9Very low32.6Very low73 Ų73132.8 Ų132.875%0.75376%0.756SS**  trans-82-163.9153.300000111.2
409N34.4Very low32.1Very low151 Ų151131.5 Ų131.581%0.80775%0.751SS**  trans69.291.1176.3-62.6-6.6000116.4
410T29.2Very low31.9Very low116 Ų116134.6 Ų134.671%0.71276%0.76SS**  45.5130.2117.8600000120.6
411L31.3Very low31.6Very low143 Ų143135.7 Ų135.775%0.74977%0.771SS**  trans78.8113148.3-63.4160.1000118.7
412R29.5Very low31.4Very low196 Ų196132 Ų13274%0.7477%0.766SS**  79.1124.5124.2-76.4-179.2175.6-156.4-1.6120.4
413H29.5Very low30.9Very low160 Ų160132.3 Ų132.374%0.74176%0.764SS**  trans70.6157.7138.5-61.4-37.7000118
414N30.5Very low30.9Very low123 Ų123135.8 Ų135.866%0.65876%0.764SS**  cis-167.5137.9-32.5-178.636.2000108.5
415H31.6Very low30.7Very low146 Ų146139.1 Ų139.168%0.67677%0.766SS**  trans65.3158.5158.4-95.958.3000119.9
416N34.7Very low30.5Very low137 Ų137141 Ų14173%0.73377%0.771SS**  trans65.9112.2161-55.2-22.4000117.1
417N28Very low30.3Very low155 Ų155137.9 Ų137.983%0.82976%0.764SS**  82.1136.953.4-169.228.1000112.9
418A30.1Very low30.2Very low96 Ų96142.3 Ų142.379%0.79377%0.77SS**  trans60.3149.1-158.900000113.8
419G27.7Very low30.5Very low58 Ų58142.4 Ų142.460%0.59876%0.764SS**  cis155.4151.5-4.800000110.6
420Y28.8Very low30.5Very low224 Ų224143.5 Ų143.588%0.87877%0.765SS**  trans61.8118178.4-52.5-87000117.2
421T27.4Very low30.9Very low155 Ų155143.4 Ų143.495%0.95176%0.76SS**  trans-123.783.5150.741.20000108.6
422N26.1Very low31.1Very low132 Ų132142.1 Ų142.171%0.70675%0.754SS**  trans-119.6137.2172.6-168.56.8000108.4
423T28.4Very low31.3Very low99 Ų99140.3 Ų140.361%0.60775%0.753SS**  trans62.5154.6-175.684.50000113.8
424N33.2Very low31.5Very low152 Ų152138.4 Ų138.481%0.81375%0.753SS**  cis-131.8159.230.7-71.2-64000115.8
425Y30.6Very low31.4Very low230 Ų230140.2 Ų140.290%0.90276%0.759SS**  trans-81.9163177.2-89.4-108.4000113.2
426L29.6Very low31.2Very low165 Ų165139.7 Ų139.786%0.86476%0.761SS**  trans-103.8138.4158.6-176.778.7000109.6
427S31.5Very low31Very low113 Ų113139.1 Ų139.179%0.7976%0.762SS**  trans-177.8150.2141.948.10000113.6
428N31.6Very low31.1Very low164 Ų164139 Ų13988%0.87776%0.761SS**  trans-167.8166.8170.7-132.2-16.2000106.9
429A36.4Very low31.5Very low76 Ų76140.2 Ų140.263%0.62876%0.759SS**  cis-150.7-168.32.200000110.5
430Q35.3Very low31.6Very low174 Ų174145.3 Ų145.381%0.81377%0.772SS**  trans-141.1173.1168.8-45.7-174.8-2.100109.1
431N36.4Very low31.8Very low113 Ų113138.1 Ų138.160%0.60477%0.766SS**  cis-1581602.8-148.1-22.5000111.1
432N36.6Very low32Very low117 Ų117137 Ų13763%0.62676%0.759SS**  trans62.7163.8156.8-66.7-33.4000117.9
433Q33.6Very low32.1Very low157 Ų157136.8 Ų136.873%0.73476%0.763SS**  cis-164.6151.3-22.5-109.4172.328.200111.7
434V32.5Very low32.2Very low120 Ų120136.6 Ų136.673%0.72777%0.765SS**  trans74.6137.3142.9174.30000122.8
435M28.6Very low32.1Very low162 Ų162136.4 Ų136.480%0.79876%0.764SS**  trans79.7119.7157.7-86.4-177.8-176.500125.3
436L29Very low32.1Very low135 Ų135132.3 Ų132.371%0.70776%0.758SS**  58.5116.3128.5-65.4170.4000125.1
437T29.5Very low32.2Very low124 Ų124131.6 Ų131.676%0.76175%0.754SS**  trans69.5113.6130.757.40000125.3
438N31.1Very low32.1Very low152 Ų152131.9 Ų131.981%0.81376%0.755SS**  89.6159.5121-157.925.2000122.4
439V37.7Very low32.2Very low123 Ų123127.1 Ų127.175%0.74575%0.745SS**  trans97.2139.4161.7-1640000119.5
440N30.6Very low31.9Very low164 Ų164130 Ų13088%0.87776%0.755SS**  trans-81.5166.9-173-58.4-38.4000115.4
441G32.6Very low31.6Very low73 Ų73128.5 Ų128.575%0.75375%0.753SS**  trans-179.368.4169.500000121
442T30.7Very low31.1Very low131 Ų131129.2 Ų129.280%0.80476%0.761SS**  trans23.2120145.252.20000125.4
443V29.2Very low30.7Very low128 Ų128129.4 Ų129.478%0.77677%0.766SS**  74.8125114.7175.90000124.4
444S29.7Very low30.4Very low95 Ų95127.9 Ų127.966%0.66477%0.768SS**  trans96.2153.9140.973.10000124.8
445L32.3Very low30.1Very low148 Ų148128.4 Ų128.478%0.77577%0.771SS**  trans78.1152.2161.6-61.4152.4000119
446N30.2Very low30Very low145 Ų145124.9 Ų124.978%0.77577%0.768SS**  -175.1143.2-51.5-109.97.6000111.4
447N30.3Very low29.9Very low149 Ų149129.9 Ų129.980%0.79778%0.777SS**  trans76.3147.1148.7-149.817.4000121.7
448C30.7Very low30Very low119 Ų119130.9 Ų130.980%0.80478%0.783SS**  trans55.2137171.4-65.90000119.6
449G32.5Very low29.9Very low64 Ų64126.4 Ų126.466%0.6677%0.773SS**  cis174.3151-7.900000114.2
450T30.7Very low29.7Very low136 Ų136129.2 Ų129.283%0.83478%0.778SS**  trans62.9129.7166.951.40000121.6
451N28.8Very low29.7Very low144 Ų144128 Ų12877%0.7777%0.772SS**  trans81.598.8145-64.9-5.3000122.5
452V26.8Very low29.7Very low128 Ų128130 Ų13078%0.77677%0.769SS**  trans80143.6136.6-171.60000118.4
453T27.6Very low29.8Very low121 Ų121131.6 Ų131.674%0.74277%0.77SS**  trans68.9101166.7310000120.7
454T27.1Very low30.3Very low125 Ų125129.7 Ų129.777%0.76776%0.76SS**  63.4134.312930.80000124.4
455V27Very low30.4Very low131 Ų131132.5 Ų132.579%0.79477%0.767SS**  trans78.289.1145.6-177.40000119.8
456A26.2Very low30.6Very low88 Ų88131.2 Ų131.273%0.72777%0.765SS**  67.8169.9122.600000122.7
457R26.7Very low30.7Very low239 Ų239128.6 Ų128.690%0.90276%0.758SS**  trans72.4145.1-174.8-56.7-178.6179.9-176.40.9112.9
458T30.5Very low30.9Very low145 Ų145127.9 Ų127.989%0.8975%0.754SS**  cis-151.6167.8-0.6-2.20000106.4
459G30.7Very low31.2Very low59 Ų59129.3 Ų129.361%0.60875%0.749SS**  cis143.9152.38.100000109.4
460Q32Very low31.2Very low181 Ų181132.3 Ų132.385%0.84675%0.749SS**  trans71.3122.4176.3-67.1175.9-8.600114.9
461N31.5Very low31.4Very low140 Ų140132.5 Ų132.575%0.74974%0.744SS**  89.4138.463.1-73.3-1.4000111.8
462T33.3Very low31.7Very low114 Ų114133.1 Ų133.170%0.69974%0.742SS**  cis-170.2154.28.410.50000114
463M32.5Very low32.1Very low164 Ų164133.7 Ų133.781%0.80874%0.736SS**  trans73.8166.6140.5-65.7-93.3-78.500120.2
464P40.1Very low32.3Very low88 Ų88134.4 Ų134.457%0.57173%0.731SS**  -147.2-169.5-51.444.5-27.7000115.9
465L31.4Very low32.8Very low155 Ų155132.8 Ų132.881%0.81273%0.725SS**  trans71.9151159.5-102.264.2000116.5
466V35.6Very low33.2Very low120 Ų120134.4 Ų134.473%0.72772%0.724SS**  cis-139.3115.416.3170.80000108.6
467S32.7Very low33.5Very low90 Ų90133.7 Ų133.763%0.62971%0.713SS**  79.2139.198.1-45.80000118.5
468N34Very low33.7Very low135 Ų135129.9 Ų129.972%0.72271%0.706SS**  trans68.4148.8162.7-66.529.3000117.1
469E36.9Very low33.8Very low148 Ų148129.5 Ų129.569%0.69269%0.694SS**  cis-170.2165.4-5.5-108.3178.8118.600107.8
470L32.5Very low33.8Very low127 Ų127134 Ų13467%0.66570%0.699SS**  cis-166.8126-11.7-175.763.4000110.8
471I34.9Very low33.7Very low140 Ų140131.1 Ų131.172%0.71869%0.689SS**  trans66.7163.9157.9-73.3173.6000114.7
472Q35.9Very low33.7Very low158 Ų158132.4 Ų132.474%0.73869%0.691SS**  cis-137.7-165.613-157.2130.5-3.300115.1
473Q34.7Very low33.6Very low139 Ų139130.6 Ų130.665%0.6569%0.688SS**  trans-60.6152175.6-76.4150.1-14.100115.9
474Q33.1Very low33.4Very low136 Ų136133 Ų13364%0.63669%0.69SS**  79.3114.150.4180-163.424.100114.3
475S36.7Very low33Very low91 Ų91134.2 Ų134.264%0.63669%0.691SS**  172.6128.4124.3-75.40000111
476Q35.8Very low33Very low166 Ų166135.4 Ų135.478%0.77669%0.686SS**  63.1150.199.8-54.7-179.828.900117
477S31.9Very low32.8Very low73 Ų73137.1 Ų137.151%0.5169%0.686SS.*  cis-179.1148-29.466.90000110.5
478Q31.8Very low32.9Very low158 Ų158138.5 Ų138.574%0.73869%0.691SS**  trans64.1166154.4-65.3172.698.100116
479Q31.4Very low33Very low138 Ų138139 Ų13965%0.64569%0.693SS**  cis-158.1163.8-22.8-117.4176.411.600110.2
480Q31.1Very low33.2Very low153 Ų153136.3 Ų136.372%0.71569%0.689SS**  trans69.9131.3147.5-76176.5-12.600122.4
481N30.1Very low33.3Very low120 Ų120136.2 Ų136.264%0.64269%0.693SS**  trans66.6134.6135.4-68.237.5000122.1
482E31.1Very low33.2Very low167 Ų167137.8 Ų137.878%0.7870%0.695SS**  136.3107.6126.1-43.4159.4147.400117.4
483A31Very low33.2Very low77 Ų77133.4 Ų133.464%0.63669%0.692SS**  trans53.8112.2132.500000123.2
484Y29.6Very low33.1Very low215 Ų215134.6 Ų134.684%0.84370%0.698SS**  71.7104.7123.6-76.4-70.6000123.6
485N29.9Very low32.8Very low112 Ų112133.5 Ų133.560%0.59971%0.706SS**  103.1153.5109.7-136.7-9.5000122.2
486Y32Very low32.7Very low181 Ų181135 Ų13571%0.7171%0.711SS**  trans70.296.4159.3-68.4-55.2000123.2
487Q32.6Very low32.4Very low156 Ų156132.2 Ų132.273%0.72971%0.71SS**  113.9134.6104.8-114.9175.5-92.600121.4
488T34.2Very low32.2Very low119 Ų119137.7 Ų137.773%0.7373%0.729SS**  trans68143.9157.959.60000120.1
489N35.4Very low32.2Very low144 Ų144135.1 Ų135.177%0.7774%0.735SS**  cis-161.2-171.6-29.7-154.715.9000109.3
490P40.6Very low32Very low92 Ų92135.1 Ų135.160%0.59774%0.744SS**  -87.7-178.4-116.737-17.2000113.9
491V34.8Very low32.2Very low125 Ų125136.7 Ų136.776%0.75875%0.754SS**  cis-149.4143.138.71770000113
492F34.4Very low32.2Very low173 Ų173137.2 Ų137.276%0.75976%0.761SS**  trans-17.8151.9163.5-66.4-96.9000119.6E494F492-E494 HydrophobicContact CD1-CG 4.44Å
493G35Very low32.3Very low66 Ų66133.8 Ų133.868%0.6876%0.762SS**  cis104.9151.6900000113.2
494E32.8Very low32.3Very low164 Ų164135 Ų13577%0.76677%0.765SS**  cis-151160.13.4-67.2-175.9106.800112.1F492F492-E494 HydrophobicContact CD1-CG 4.44Å
495S26.6Very low32.6Very low114 Ų114133.8 Ų133.880%0.79777%0.768SS**  trans-146.5113.8159.951.90000110.8
496V33.8Very low32.6Very low122 Ų122134.1 Ų134.174%0.73978%0.779SS**  trans-148.3125.7-177.9-173.20000106.1
497S30.5Very low32.9Very low108 Ų108131.4 Ų131.476%0.75578%0.783SS**  cis93.2152.439-59.50000114.3
498M27Very low32.9Very low188 Ų188132.6 Ų132.693%0.92679%0.791SS**  trans-76.5152.3-157.6-59.5160.4-80.600115.4
499A32.2Very low32.8Very low104 Ų104133.8 Ų133.886%0.8679%0.792SS**  trans-152.9150.3147.900000111.7
500V28Very low32.7Very low138 Ų138135.1 Ų135.184%0.83680%0.796SS**  trans-111.4131.6179.71710000109.9
501M34Very low32.3Very low185 Ų185136.4 Ų136.491%0.91180%0.802SS**  trans-142.3138.9153.4-90.9-158.9-77.400114
502T31.3Very low32.2Very low131 Ų131138.8 Ų138.880%0.80481%0.805SS**  trans-51.2146.917551.40000115.9
503A32.7Very low31.9Very low96 Ų96135.5 Ų135.579%0.79380%0.804SS**  167.4138.111000000114.2
504S31.2Very low31.7Very low101 Ų101141.8 Ų141.871%0.70682%0.818SS**  trans-43.5136.6172.751.30000118.9
505Q34.8Very low31.6Very low191 Ų191138.4 Ų138.489%0.89382%0.818SS**  -171167.6106.1-100.4162.7101.400112.5
506S30.5Very low32.1Very low119 Ų119139 Ų13983%0.83282%0.819SS**  trans-121.9-176.6-169.9-38.70000111
507P37.8Very low31.8Very low124 Ų124140.4 Ų140.481%0.80582%0.822SS**  -118.3175.3-122.636.7-18.9000115
508M33.5Very low32Very low180 Ų180146 Ų14689%0.88783%0.828SS**  trans-147.5158.9162.5-126173.464.800112.8
509L31.8Very low32.3Very low144 Ų144140.4 Ų140.475%0.75482%0.819SS**  trans-84.1149.9-170.8-64.769.7000112.1
510M33.6Very low32.2Very low172 Ų172141 Ų14185%0.84782%0.817SS**  -178.9118107.2-94.8176.7-162.800114.4
511T31.6Very low32.3Very low119 Ų119143.1 Ų143.173%0.7382%0.817SS**  trans21.6147.8136.360.20000123.5
512Q32.4Very low32.2Very low175 Ų175138 Ų13882%0.81881%0.805SS**  trans100.685.1155.4-52.9-162.7105.800118.8
513S28Very low32.2Very low105 Ų105138.7 Ų138.773%0.73480%0.803SS**  23.4119.9129.158.20000120.8
514M31.7Very low32.1Very low198 Ų198142.4 Ų142.498%0.97580%0.804SS**  trans-146.7157.1133.5-70.3-158.8-177.100109.6
515A29.6Very low32.1Very low93 Ų93143 Ų14377%0.76980%0.803SS**  trans-105.2147.7172.800000110.7
516P38.1Very low32.1Very low126 Ų126138.6 Ų138.682%0.81880%0.799SS**  trans-87.2118.3172.132.6-29.7000111.1
517N28.5Very low32.1Very low151 Ų151141.2 Ų141.281%0.80780%0.798SS**  trans-118.9102.8158.1-178.313.4000108.4
518Y33.7Very low31.9Very low227 Ų227140.1 Ų140.189%0.8979%0.794SS**  trans-151147.1171.5-82.1-86.4000106.5
519G33.7Very low31.8Very low70 Ų70138.1 Ų138.172%0.72279%0.786SS**  cis178.1146.8-3.100000108.3
520S30.3Very low32Very low117 Ų117140 Ų14082%0.81879%0.789SS**  trans-92167.8-176.3-166.80000112.5
521E29.5Very low32.1Very low181 Ų181136 Ų13685%0.84678%0.778SS**  trans91133157.1-50.7-161130.500121.2
522A32.7Very low32.2Very low79 Ų79136.5 Ų136.565%0.65378%0.776SS**  trans78.1108.9142.700000121.5
523N29.8Very low32.3Very low144 Ų144132.8 Ų132.877%0.7777%0.765SS**  48.5124.1127.1-57-32.9000120.2
524H32.2Very low32.6Very low175 Ų175134.5 Ų134.581%0.8177%0.766SS**  -172.8124.9101.5-103.6-79.4000114.4
525V30.3Very low32.5Very low114 Ų114130 Ų13069%0.69175%0.75SS**  trans39.2109.3137.5-175.30000120.8Q527V525-Q527 HydrophobicContact CG1-CG 4.4Å
526A34.5Very low32.8Very low97 Ų97133.1 Ų133.180%0.80275%0.749SS**  -168119.3126.800000108.1
527Q29.8Very low32.8Very low174 Ų174134.1 Ų134.181%0.81374%0.743SS**  79.28658.1-73.6-164.9-19.200116.4V525V525-Q527 HydrophobicContact CG1-CG 4.4Å
528S34.3Very low33Very low102 Ų102133.6 Ų133.671%0.71374%0.738SS**  177.6120.1125.538.30000109.3
529N31.7Very low33.1Very low137 Ų137129.4 Ų129.473%0.73373%0.731SS**  66.2130.786.5-50-20.7000112.1
530F35.4Very low33.1Very low184 Ų184132.9 Ų132.981%0.80773%0.729SS**  cis-147.2145.827.4-88.7-89.5000114.3
531S35.6Very low33.3Very low87 Ų87134.1 Ų134.161%0.60873%0.725SS**  trans69.2149.9134.4-66.90000123.1
532N35.1Very low33.5Very low130 Ų130132.3 Ų132.370%0.69572%0.722SS**  cis-158.9142.1-11-111.66.5000113.2
533T33.5Very low33.8Very low97 Ų97133.5 Ų133.560%0.59572%0.723SS**  trans28.7132.8140.465.60000120.4
534N33.8Very low34Very low141 Ų141132.7 Ų132.775%0.75473%0.728SS**  cis-151.3149.648.5-83.6-75.6000112.8
535T30.9Very low34Very low103 Ų103127.5 Ų127.563%0.63272%0.722SS**  cis100.6140.336.8-490000112.1
536Q36.2Very low34.3Very low159 Ų159131.5 Ų131.574%0.74373%0.733SS**  trans88.1137.3176.7-54.9-16983.500115.3
537Q36.3Very low34.2Very low148 Ų148131.1 Ų131.169%0.69273%0.73SS**  cis-148.7128.4-3.6-109.1165.424.200108.9
538I33.6Very low34.4Very low140 Ų140133.7 Ų133.772%0.71873%0.734SS**  68.9100.893.6-62.9-178.7000116
539N35.3Very low34.6Very low138 Ų138135 Ų13574%0.73873%0.733SS**  trans157.3155.4137.9-86.3-17.3000112.8
540Q34.4Very low34.8Very low144 Ų144137 Ų13767%0.67374%0.735SS**  cis-173.1145.7-39.7-123.8-170.390.200109.4
541L34Very low34.9Very low143 Ų143133 Ų13375%0.74973%0.728SS**  trans66.1153.9160.1-57.4163.5000117.3
542N33.7Very low34.7Very low143 Ų143134.4 Ų134.477%0.76573%0.733SS**  cis-152.6164.2-11.2-139.718.9000110.5
543P39.7Very low34.7Very low104 Ų104133.9 Ų133.968%0.67573%0.734SS**  trans-110.7-166.6-177.742.4-34.2000114.7
544S33Very low34.8Very low126 Ų126137.3 Ų137.388%0.88174%0.743SS**  trans100.7141.1174.9-43.20000114.9
545G33.9Very low34.8Very low67 Ų67138.9 Ų138.969%0.69175%0.746SS**  cis165.4139.6-10.500000113.5
546Q35.8Very low35Very low197 Ų197142.3 Ų142.392%0.92176%0.755SS**  trans164.3119.4159.7-95.5170.438.800106.1
547A32.1Very low34.8Very low89 Ų89141.9 Ų141.974%0.73675%0.753SS**  cis849631.200000115.1
548Y34.9Very low34.8Very low229 Ų229142.4 Ų142.490%0.89876%0.755SS**  trans-155.1146.7140-116.3-82.8000111.5
549N37.6Very low34.7Very low130 Ų130144.2 Ų144.270%0.69576%0.76SS**  trans-53.6151.9-164.5-58.1-74.5000117.2
550K35.7Very low34.8Very low177 Ų177143 Ų14377%0.7776%0.76SS**  cis73.8146.236.2-149.9-132.8176.9-178.10112.6
551P38.1Very low34.6Very low101 Ų101147.2 Ų147.266%0.65677%0.77SS**  cis-120.2176.7-244.1-28.8000114.3
552T31.1Very low34.4Very low117 Ų117144.4 Ų144.472%0.71877%0.767SS**  cis81.6123.827.5-30.60000116.5
553V35.1Very low34.3Very low119 Ų119146.5 Ų146.572%0.72177%0.772SS**  trans172.1139.1141.6145.20000113.4
554Q35.8Very low34.1Very low168 Ų168145.6 Ų145.679%0.78577%0.768SS**  trans30.9130.4157.3-65.5156.2-1300121.1
555Q34.1Very low34.3Very low175 Ų175146.6 Ų146.682%0.81876%0.759SS**  57.499.463.3-76.8-163.22.700116.6
556Q33.6Very low34.4Very low174 Ų174151.4 Ų151.481%0.81376%0.758SS**  168.8135.5116.7-94.3-173.10.400114.4
557H33.4Very low34.5Very low150 Ų150150.1 Ų150.169%0.69475%0.749SS**  trans43.7139.9138.7-98.2-99.6000124.4
558H35.9Very low34.9Very low159 Ų159151.2 Ų151.274%0.73675%0.749SS**  trans80.8104159.3-50.3122.9000121.3
559Q31.7Very low35.3Very low179 Ų179145.4 Ų145.484%0.83674%0.739SS**  8.4145.7117.3-171.2-178.434.600118.9
560P37.4Very low35.2Very low112 Ų112145.9 Ų145.973%0.72775%0.747SS**  cis-134.2-169.2-14.238.5-19.4000115.4
561R29.2Very low35.3Very low233 Ų233144.5 Ų144.588%0.87974%0.743SS**  trans78.386.9143.9-165.7-179.7-178141.40.7120.6
562A31.3Very low35.3Very low84 Ų84147.6 Ų147.669%0.69475%0.749SS**  61.1144.5122.400000123.4
563Q31.8Very low35.4Very low186 Ų186146.1 Ų146.187%0.86974%0.744SS**  trans72.3147.4171.6-49.8-178.7-17.300113.6
564S34.3Very low35.4Very low85 Ų85148.9 Ų148.959%0.59475%0.749SS**  cis-151.4143.327.2-84.90000114.4
565Q37.2Very low35.2Very low148 Ų148145.7 Ų145.769%0.69274%0.741SS**  59.1151.5126.9-58.1-176.812.100120.7
566Y36.3Very low35.1Very low168 Ų168144.7 Ų144.766%0.65974%0.741SS**  cis-157-162.9-5.8-115.6170.2000107.5
567F38.1Very low34.8Very low169 Ų169143.8 Ų143.874%0.74174%0.741SS**  cis-160.8176.410.6-110.5-47.8000106.4
568P40.8Very low34.8Very low112 Ų112144 Ų14473%0.72775%0.745SS**  cis-120.9159.8-32.830.7-12.9000113.3
569P41.8Very low34.5Very low108 Ų108145.2 Ų145.270%0.70175%0.752SS**  trans-113.9168.1172.540.5-32.5000113.8
570T36Very low34.7Very low140 Ų140141.9 Ų141.986%0.85975%0.745SS**  trans177.5155.7151.616.70000110.5
571Q37.6Very low34.2Very low148 Ų148145.7 Ų145.769%0.69275%0.753SS**  cis-133.9150.64.3-64.7-168.247.400112.8
572Q37.8Very low34.4Very low166 Ų166140 Ų14078%0.77675%0.747SS**  trans45.1144.8132.8-60.1177.623.700121.8
573S35.1Very low34.5Very low86 Ų86145.5 Ų145.560%0.60176%0.758SS**  cis-159135.4-5.7-104.60000109
574Q34.4Very low34.3Very low177 Ų177144 Ų14483%0.82775%0.754SS**  56145.5100.1-60.9-166.28.200117.7
575T31.4Very low34.1Very low100 Ų100144.4 Ų144.461%0.61376%0.762SS**  cis-175.2137.9-22.4-76.70000106.6
576N31.8Very low33.9Very low155 Ų155145.3 Ų145.383%0.82977%0.767SS**  trans169.4161.1132.4-94-55.4000114.5
577L27.4Very low33.8Very low154 Ų154142.1 Ų142.181%0.80677%0.769SS**  trans-98.9-178.4179.1-84.362000111.7
578I33.4Very low33.5Very low154 Ų154142 Ų14279%0.7977%0.768SS**  trans108.993.9154.2-55.3166.6000116.4
579Q30.7Very low33.2Very low186 Ų186145.1 Ų145.187%0.86977%0.773SS**  trans62.4167.2139.7-84.5-164.1-38.800120.7
580P34.3Very low32.7Very low108 Ų108146.6 Ų146.670%0.70177%0.771SS**  trans-122.8146.6-143.540.9-29.1000116.2
581Q28.1Very low32.6Very low193 Ų193145.8 Ų145.890%0.90277%0.768SS**  trans-164.1162.1138.4-108.8-176.2-81.100110.2
582P33.1Very low32.4Very low113 Ų113143.7 Ų143.773%0.73477%0.77SS**  trans-91.1146.3-17535.3-33000112.8
583Q32.7Very low32Very low200 Ų200143.1 Ų143.194%0.93577%0.772SS**  trans-152157.8149.8-120.2168.211.900112.5
584I27.8Very low31.6Very low154 Ų154148.1 Ų148.179%0.7978%0.784SS**  trans-111.6131.3-169-64.4161.1000109
585A30.4Very low31.4Very low93 Ų93148.4 Ų148.477%0.76979%0.785SS**  trans165.6153146.300000110.7
586Q33Very low31.2Very low167 Ų167153.4 Ų153.478%0.7880%0.799SS**  cis-172.9169.9-38.1-123.9179.71700107.7
587S33.2Very low31.1Very low102 Ų102154.6 Ų154.671%0.71380%0.799SS**  trans97138.317974.50000116
588F31.8Very low31Very low165 Ų165154.2 Ų154.272%0.72480%0.798SS**  cis-163.4147-24.5-109.2-61.9000104
589Q35Very low30.6Very low178 Ų178155.7 Ų155.783%0.83280%0.801SS**  cis-149.2165.121.1-53.2171.2-7500109.5
590Q32.5Very low30.6Very low139 Ų139152.3 Ų152.365%0.6580%0.796SS**  cis-169.5110.7-32.1178.71708.300109.9
591P33.7Very low30.3Very low123 Ų123156.7 Ų156.780%0.79981%0.807SS**  trans-107.5160.2172.137.9-31.5000113.4
592S33.2Very low30.2Very low105 Ų105155.7 Ų155.773%0.73480%0.802SS**  trans-154.3140.5176.2-68.70000110
593N30Very low30Very low154 Ų154159.3 Ų159.382%0.82481%0.809SS**  cis-158.1154.2-18.3-142.8-16.5000109.5
594F26.7Very low29.8Very low191 Ų191158 Ų15884%0.83880%0.803SS**  trans-94.4143.7172.4-98.4-101.4000110.7
595Q30.3Very low29.9Very low182 Ų182159.3 Ų159.385%0.8581%0.806SS**  trans-165.6147.1131.5-116178.4500114.7
596F26.2Very low29.8Very low206 Ų206162.1 Ų162.190%0.90481%0.807SS**  trans-88.3136.2162.2-98.8-113.9000109.2
597Q29.1Very low29.8Very low180 Ų180160.8 Ų160.884%0.84181%0.81SS**  trans-142.6160.3159.3-165.4158.7-2.500111.6
598N26.1Very low29.9Very low145 Ų145159.2 Ų159.278%0.77580%0.803SS**  trans-88.6161-168.5-89.5-85.7000114.6
599Q25.2Very low29.9Very low185 Ų185157.9 Ų157.986%0.86480%0.804SS**  trans74.7154.7153.1-81.7-179.2-6.200118.9
600P29.4Very low29.9Very low116 Ų116156.6 Ų156.675%0.75380%0.798SS**  trans-100.4148.1-161.537.7-33.2000113.3
601Q28.8Very low30Very low199 Ų199155.6 Ų155.693%0.9380%0.801SS**  trans-151.6145.1154.8-117.5162.825.200112.1
602Q25.4Very low30.2Very low173 Ų173155.3 Ų155.381%0.80880%0.8SS**  trans-80.5142.7166.7-55.61673.800108.2
603Q29.4Very low30.3Very low189 Ų189155 Ų15588%0.88380%0.803SS**  -179.8167110.8-98.5178.15.400112.9
604Q28.3Very low30.6Very low172 Ų172152.7 Ų152.780%0.80480%0.799SS**  trans-96.1148.5179.6-57.2158.4-11.700110.1
605Q30.7Very low31Very low181 Ų181149.4 Ų149.485%0.84679%0.79SS**  179.5134.4121.1-92.61636.700108.2
606L28.9Very low31.3Very low152 Ų152147.7 Ų147.780%0.79678%0.782SS**  cis98.2118.131.5-174.3151.4000112.2
607V33.1Very low31.6Very low140 Ų140145.8 Ų145.885%0.84877%0.774SS**  trans171.4138.4163.3140.30000107.2
608A33.8Very low31.8Very low69 Ų69144.5 Ų144.557%0.5777%0.767SS**  cis-163.2168.5-20.500000111
609N31.3Very low32.3Very low137 Ų137143 Ų14373%0.73377%0.766SS**  trans82.1136.8162.7-56.7-25.3000119.1
610Q36.5Very low32.7Very low151 Ų151142.6 Ų142.671%0.70676%0.764SS**  cis-160.4122.2-12.7-120.2165.144.800111.9
611T33.5Very low33Very low118 Ų118145 Ų14572%0.72477%0.765SS**  trans45161.3132.154.40000123.8
612P38.9Very low33Very low117 Ų117144.1 Ų144.176%0.7676%0.761SS**  cis-143.9162.3-35.338.8-22.2000115.6
613A35.8Very low33.6Very low97 Ų97145.4 Ų145.480%0.80277%0.767SS**  trans177.5126135.200000113.3
614S36.1Very low33.5Very low106 Ų106141.5 Ų141.574%0.74176%0.76SS**  trans32.3135.7136.6-147.70000120.6
615N35.5Very low33.8Very low122 Ų122140.3 Ų140.365%0.65276%0.764SS**  cis-176.2177.6-8.9-106.6-0.1000106.9
616Q35.3Very low33.7Very low146 Ų146139.6 Ų139.668%0.68276%0.761SS**  cis-156.3149.4-0.7-131158.1-57.300110.4
617F32.1Very low33.8Very low167 Ų167140.2 Ų140.273%0.73276%0.76SS**  trans35.3141.7136-76.8-121.5000122.3
618H34.7Very low33.5Very low152 Ų152138.1 Ų138.170%0.70475%0.752SS**  cis-169.6159.2-14.7-124.489000109.8
619P35.4Very low33.3Very low114 Ų114143.8 Ų143.874%0.7477%0.766SS**  trans-119.2169.4-171.841.3-31.3000117.7
620Q34.7Very low33.1Very low177 Ų177145.6 Ų145.683%0.82777%0.77SS**  trans-153.7163.6166.5-89.4-161.9-1.600109.1
621Q34.3Very low32.9Very low166 Ų166148 Ų14878%0.77678%0.782SS**  cis-160.3156.7-28.2-177.6172.283.900106.9
622Q30.4Very low32.7Very low181 Ų181150.1 Ų150.185%0.84678%0.783SS**  trans-77.5139.8-178-69.6176.5-28.900113.9
623Q36.5Very low32.4Very low200 Ų200154.2 Ų154.294%0.93579%0.79SS**  trans-156.1160.4144.2-116.9171.540.900112.2
624S27.6Very low32.2Very low106 Ų106154.6 Ų154.674%0.74179%0.786SS**  trans-106.4134.7-168.254.60000113.5
625V34.8Very low32.3Very low147 Ų147156.9 Ų156.989%0.89179%0.789SS**  trans-141.6154.2151-177.60000110.7
626Q29.3Very low33.1Very low167 Ų167156.7 Ų156.778%0.7880%0.795SS**  trans-69.2-179.3-179.3-143.9170.514.500114.9
627Q31.1Very low33.5Very low164 Ų164155.3 Ų155.377%0.76680%0.798SS**  trans83.6100.6157.2-70.5-179.10.600121
628S26.5Very low33.9Very low97 Ų97152.8 Ų152.868%0.67880%0.799SS**  46.5123.4127.462.50000121.7
629Q29.8Very low34.8Very low187 Ų187151.4 Ų151.487%0.87480%0.803SS**  -164.1175.799-107.8169.499.700113.3
630Q27.3Very low35.1Very low176 Ų176151.8 Ų151.882%0.82281%0.806SS**  trans-67.9145.2-179-60.6156.6-22.400111.5
631Q32.2Very low35Very low201 Ų201150 Ų15094%0.93981%0.807SS**  trans-131.3126.1145.6-79.2-162.9-16.200110.3
632Q29.3Very low34.8Very low163 Ų163148.2 Ų148.276%0.76281%0.811SS**  trans-99.1130.4-174.5169.9-179.7-28.500107.9S634Q632-S634 PolarHBondContact O-N 3.13Å; Q632-S634 VanDerWaalsContact O-N 3.13Å
633F32Very low35Very low203 Ų203148.1 Ų148.189%0.8981%0.811SS**  trans-71.8106.4171.6-95.3-90.6000109.1
634S32.6Very low34.7Very low104 Ų104145.1 Ų145.173%0.72780%0.801SS**PPolyproline II helixtrans-70.8125.2178.6-54.90000111.1Q632Q632-S634 PolarHBondContact O-N 3.13Å; Q632-S634 VanDerWaalsContact O-N 3.13Å
635L37.3Very low34.9Very low155 Ų155148.5 Ų148.581%0.81280%0.804SS**PPolyproline II helixtrans-71.7148.1164.2-73.782.7000109.8
636P53.1Low34.7Very low117 Ų117149.2 Ų149.276%0.7680%0.798SS**PPolyproline II helixtrans-68.8142168.230.1-34000110.6
637P42Very low34.9Very low117 Ų117148.7 Ų148.776%0.7680%0.798SS**PPolyproline II helixtrans-76.6153.1178.531.9-35.3000112.3
638P40.9Very low34.9Very low115 Ų115147.1 Ų147.175%0.74779%0.794SS**PPolyproline II helixtrans-71.4150.6173.130.9-35000111.9
639P53.7Low35.2Very low122 Ų122149.4 Ų149.479%0.79280%0.798SS**PPolyproline II helixtrans-72.6142.4176.330.4-34.5000111.7
640P43Very low35.4Very low122 Ų122147.5 Ų147.579%0.79279%0.789SS**PPolyproline II helixtrans-79142.5-176.831.3-35.2000113.2
641T32Very low35.7Very low140 Ų140147.3 Ų147.386%0.85979%0.788SS**PPolyproline II helixtrans-73.9135.6169.149.60000112
642C30.4Very low35.8Very low128 Ų128141.4 Ų141.487%0.86577%0.774SS**  trans-123.5130.4166.5-79.60000110.9
643Q34.1Very low35.9Very low179 Ų179139.4 Ų139.484%0.83677%0.773SS**  trans-99.3155.8172-69.7-179-21.500111.2
644L29Very low36Very low137 Ų137137.3 Ų137.372%0.71777%0.771SS**  trans35.5122157.8-89.974.3000119.5
645H33.1Very low35.9Very low177 Ų177139.9 Ų139.982%0.81978%0.776SS**  -168.5169.896.6-101.289.1000113.8
646Q31Very low36Very low162 Ų162137.7 Ų137.776%0.75777%0.771SS**  trans-81.9167.2-169.8-71.6177.8-22.800116.2
647M33Very low35Very low157 Ų157136.2 Ų136.277%0.77376%0.764SS**  trans89.3109.2143.7-88.4-165.7-71.400122.4
648N31Very low34.6Very low130 Ų130139 Ų13970%0.69577%0.766SS**  82.985.6114.3-142.30.3000121.6
649L32.7Very low34.3Very low146 Ų146138.3 Ų138.376%0.76476%0.76SS**  36122.7120.9-142.583.4000120.9
650Q32.8Very low33.3Very low146 Ų146140 Ų14068%0.68276%0.758SS**  171.6137.7116.6-94.8169.37800115.9
651Q34.5Very low33.1Very low172 Ų172141.6 Ų141.680%0.80476%0.755SS**  trans59.1149.8140.2-65.1-178.71900121.6
652A33.6Very low33.1Very low78 Ų78142.4 Ų142.465%0.64575%0.749SS**  cis-165155.7-15.900000113.5
653T31.3Very low33.1Very low121 Ų121141.8 Ų141.874%0.74274%0.737SS**  trans33.7134.6149.156.10000123.6
654N35Very low33Very low158 Ų158141 Ų14185%0.84573%0.733SS**  -169.8161.4108.4-99.8-59.6000114.3
655L31.4Very low33.4Very low159 Ų159140 Ų14083%0.83274%0.735SS**  trans-128.9-164.9-179.7-123.572.7000108.7
656P37.6Very low33.6Very low109 Ų109138.9 Ų138.971%0.70874%0.74SS**  cis-115.9-141.2-12.720.47000111.3
657S33.1Very low33.5Very low86 Ų86135.8 Ų135.860%0.60174%0.736SS**  cis-165.314710.9-32.60000115
658Q33.4Very low33.3Very low175 Ų175136.6 Ų136.682%0.81874%0.735SS**  trans64161.3146.1-62.4179.740.200119.4
659T34.4Very low33.3Very low100 Ų100138 Ų13861%0.61374%0.743SS**  cis-159.4138.722.9-26.20000114.1
660Q33.8Very low33.2Very low158 Ų158138.3 Ų138.374%0.73874%0.741SS**  trans58.3157.6152-75.6170.259.700120.5
661Q37Very low33.3Very low156 Ų156140.9 Ų140.973%0.72975%0.753SS**  cis-151.5167.74.1-134.1177.664.900113.9
662Q32.1Very low33.1Very low157 Ų157137.7 Ų137.773%0.73475%0.75SS**  trans-48.9176.8172-72.2171.1-15.500117.6
663N31.3Very low33.2Very low115 Ų115141.2 Ų141.262%0.61576%0.762SS**  cis-172.2179.5-8.7-99.54.7000107.6
664Q31.1Very low33.1Very low163 Ų163141.3 Ų141.376%0.76276%0.759SS**  cis-163.8170.6-12.4-112.1167.2-38.800109.8
665P37.2Very low33Very low116 Ų116140.8 Ų140.875%0.75375%0.751SS**  trans-110.1167.2-173.240.7-33.9000117.2
666V37.6Very low32.9Very low152 Ų152141.2 Ų141.292%0.92175%0.748SS**  trans-139.1171.7174.3-173.80000110.9
667S30.4Very low32.6Very low97 Ų97146.1 Ų146.168%0.67875%0.754SS**  trans-138.6162.3-150.2-111.70000118.4
668F27.7Very low32.7Very low174 Ų174147.9 Ų147.976%0.76376%0.763SS**  trans48.4129.7153.7-83.8-86.6000122.6
669N32.2Very low32.4Very low160 Ų160149.1 Ų149.186%0.85677%0.767SS**  -162.2169.7107.8-126.3-52.6000114.9
670Q30.7Very low32.2Very low153 Ų153152.7 Ų152.772%0.71578%0.776SS**  trans-113.2161.1178.3-56.7177.16.300112.1
671Q34.7Very low32Very low199 Ų199150.5 Ų150.593%0.9378%0.778SS**  trans-162.3158.9136-116.5170.7-0.300112.6
672S28.8Very low31.7Very low106 Ų106151.7 Ų151.774%0.74178%0.784SS**  trans-148.4149.5-174.854.20000111.8
673V36.9Very low32Very low151 Ų151148.7 Ų148.792%0.91578%0.778SS**  trans-143.3151.5170.5-173.40000108.7
674N28.1Very low32Very low124 Ų124148.8 Ų148.866%0.66379%0.788SS**  trans-125.4-175.6-165.9-176.526.1000111.5
675H33.4Very low32.2Very low146 Ų146147.4 Ų147.468%0.67678%0.781SS**  trans86.6146.6167.1-45.398.5000116
676Q30.1Very low31.9Very low168 Ų168146.7 Ų146.779%0.78578%0.775SS**  cis-171.7148-15.2165.6169.9-12.500110.1
677Y30.5Very low31.7Very low213 Ų213146.4 Ų146.484%0.83576%0.763SS**  trans-80.1154.1175.3-83.6-85.4000113.2
678P35.5Very low31.9Very low122 Ų122149.4 Ų149.479%0.79277%0.767SS**  -141.7-177.2111.738.9-25.4000115.3
679F27.7Very low32.4Very low201 Ų201146.2 Ų146.288%0.88276%0.763SS**  trans-85.2164.9-174.7-91.9-113.5000115.5
680Q29.3Very low32.3Very low175 Ų175145.8 Ų145.882%0.81876%0.76SS**  118.7127.2127.4-151169.142.400119.2
681S29.7Very low32.6Very low112 Ų112143.6 Ų143.678%0.78376%0.759SS**  trans68.2154.4164.2800000117.1
682Q31Very low32.3Very low181 Ų181140 Ų14085%0.84675%0.751SS**  cis-155.1153.1-3.3-156169.56.600109.9
683P38.3Very low32.6Very low95 Ų95141.3 Ų141.362%0.61775%0.749SS**  trans-104.5149.3-175.637.4-34.1000116.7
684S31.6Very low32.3Very low116 Ų116141.9 Ų141.981%0.81174%0.742SS**  trans-177.7164.5169.4-84.20000110.6
685Q35.6Very low32.5Very low134 Ų134147.2 Ų147.263%0.62675%0.752SS**  cis-159.5126.9-24.4-86.5-111.273.700104.4N838Q685-N838 PolarHBondContact OE1-ND2 3.22Å
686V30.7Very low32.4Very low101 Ų101150.3 Ų150.361%0.61276%0.758SS**  84.915074.7170.90000114.3
687Q32.7Very low32.3Very low147 Ų147150 Ų15069%0.68776%0.757SS**  trans77138.4178.2-117.168.535.400116.9
688Q34.8Very low32.4Very low160 Ų160149.4 Ų149.475%0.74876%0.762SS**  cis-161.7175-21-113.9-177-22.600111
689P37.2Very low32.1Very low106 Ų106149.3 Ų149.369%0.68876%0.758SS**  trans-117.5-148.4-164.942.4-31.5000116.3
690I31.7Very low32.4Very low152 Ų152146.4 Ų146.478%0.77976%0.757SS**  trans99.1137.5168.2-53.8151.7000115
691P35.4Very low32.3Very low107 Ų107145.2 Ų145.270%0.69576%0.756SS**  cis-141.1-161.2-3643.4-22.3000114.8
692T29.3Very low32.3Very low124 Ų124143.2 Ų143.276%0.76175%0.753SS**  trans-4.4147.3157.744.20000120.9
693D34.5Very low32.1Very low133 Ų133142.9 Ų142.971%0.71175%0.752SS**  -160.4-174.464.2-149.7-9.6000116.7
694Q30.1Very low31.7Very low162 Ų162144.5 Ų144.576%0.75776%0.759SS**  trans-76.5149-163.3-58145.364.300117.9
695R33.3Very low31.5Very low236 Ų236147.2 Ų147.289%0.89176%0.759SS**  -173.7128.4111.9-105.5180-176.9-159.23116.9
696R31Very low31.2Very low212 Ų212147 Ų14780%0.877%0.768SS**  trans37.7109.6145.4-76.2-173.8168.1-131.4-2.3121.8
697Q28.2Very low31.1Very low162 Ų162147.4 Ų147.476%0.75777%0.774SS**  44.1111.6113-66.5175.2-25.200119.7
698Q32.8Very low30.7Very low200 Ų200148.1 Ų148.194%0.93578%0.782SS**  -141.1135.9129.6-124.8174.8-0.400109.4
699V28.6Very low30.3Very low119 Ų119144.7 Ų144.772%0.72178%0.78SS**  trans-108.9132.1-177.1175.30000108.8
700V34Very low29.8Very low141 Ų141145.5 Ų145.586%0.85578%0.783SS**  trans-118.697.4169.4-178.90000108.2G702V700-G702 PolarHBondContact O-N 3.03Å
701N28Very low29.6Very low150 Ų150144.2 Ų144.280%0.80278%0.782SS**  trans-77.1113.7170.6-92.4-11.2000109.4
702G29.8Very low29.2Very low70 Ų70144.5 Ų144.572%0.72278%0.782SS**  trans-95.5104.8164.700000110.3V700V700-G702 PolarHBondContact O-N 3.03Å
703Q26.8Very low29.2Very low174 Ų174142.7 Ų142.781%0.81378%0.78SS**  trans-71.7128168.7-67.8-175.1-8700109.6
704V29.7Very low28.8Very low128 Ų128143.5 Ų143.578%0.77678%0.783SS**  trans-107.3100.7164.21780000108.2T706V704-T706 HydrophobicContact CG1-CG2 3.94Å
705Q27Very low28.8Very low174 Ų174142.6 Ų142.681%0.81379%0.789SS**  trans-83.9112.3161.5-70.4178.3-43.900108.1
706T29.6Very low28.6Very low130 Ų130135.1 Ų135.180%0.79878%0.778SS**  trans-104.181165.736.10000110V704V704-T706 HydrophobicContact CG1-CG2 3.94Å
707S28.1Very low28.5Very low108 Ų108131.1 Ų131.176%0.75578%0.779SS**  trans-59.9145.3163.950.10000111.2A709S707-A709 PolarHBondContact O-N 2.95Å
708I24.8Very low28.7Very low163 Ų163129.5 Ų129.584%0.83678%0.781SS**  trans-54.6130.6-179-60.9160.2000111.2V710I708-V710 HydrophobicContact CG2-CG2 4.28Å
709A27.2Very low28.5Very low87 Ų87125.6 Ų125.672%0.71977%0.773SS**  trans-130.6110.5165.300000109.2S707S707-A709 PolarHBondContact O-N 2.95Å
710V25.8Very low28.7Very low123 Ų123128.1 Ų128.175%0.74578%0.781SS**  trans-77.4123.8175176.70000108.8I708I708-V710 HydrophobicContact CG2-CG2 4.28Å
711V27.9Very low28.5Very low126 Ų126125 Ų12576%0.76478%0.778SS**  trans-12595.2170.6-177.80000109.2A713V711-A713 PolarHBondContact O-N 2.84Å
712T26.2Very low28.4Very low112 Ų112124.9 Ų124.969%0.68778%0.782SS**  trans-73.3119.2167.4-44.80000108.9L714T712-L714 HydrophobicContact CG2-CD1 4.06Å
713A29.8Very low28.4Very low87 Ų87127.4 Ų127.472%0.71979%0.789SS**  trans-122.2110.5171.600000109.1V711V711-A713 PolarHBondContact O-N 2.84Å
714L26.9Very low28.5Very low149 Ų149128 Ų12878%0.7879%0.792SS**  trans-88.1134.8179-62.692.7000110.8T712T712-L714 HydrophobicContact CG2-CD1 4.06Å
715T29.3Very low28.5Very low143 Ų143131.2 Ų131.288%0.87780%0.798SS**  trans-140.574.4159.7-5.90000109.9
716A28.7Very low28.6Very low80 Ų80130.1 Ų130.166%0.66180%0.798SS**PPolyproline II helixtrans-71.5148.516700000110.2
717P30.2Very low28.3Very low127 Ų127128.1 Ų128.183%0.82579%0.789SS**PPolyproline II helixtrans-77.7132-175.330.4-34.6000112.5
718T31.2Very low28.4Very low129 Ų129132.3 Ų132.379%0.79180%0.796SS**PPolyproline II helixtrans-89120.8174.6-41.20000110.6
719P29.9Very low28.6Very low118 Ų118130 Ų13077%0.76679%0.792SS**PPolyproline II helixtrans-83.3145.2178.833.3-34.3000111.7
720L31.2Very low28.8Very low171 Ų171133.9 Ų133.990%0.89580%0.8SS**  trans-143.4120173.8-134.889.6000114
721G29.7Very low29Very low77 Ų77134.9 Ų134.979%0.79480%0.796SS**  trans6397.2139.100000120
722T27.3Very low29.2Very low146 Ų146136.2 Ų136.290%0.89679%0.794SS**  trans-74.5142.7161.3520000112.8
723S29.7Very low29.4Very low123 Ų123139.2 Ų139.286%0.8680%0.8SS**  trans-146.9137.1152.255.20000111.7
724Q27.3Very low29.7Very low186 Ų186139.8 Ų139.887%0.86980%0.797SS**  trans-104.2153.8174.5-65.8178.3-1500110.3
725Q30.4Very low29.9Very low196 Ų196139.2 Ų139.292%0.91679%0.794SS**  trans152.7155.2150.7-88.5166.420.900109.5
726N28.5Very low30Very low151 Ų151137.3 Ų137.381%0.80778%0.783SS**  cis-158.5162.6-35.1-166.36.2000107
727C23.8Very low30.3Very low89 Ų89139.7 Ų139.760%0.60179%0.785SS**  trans-86.9145.2-169.9-57.40000114.5
728Q29.8Very low30.3Very low195 Ų195139.4 Ų139.491%0.91178%0.78SS**  trans-162.7137.2145.3-116.5173.39.600112.6
729P30.6Very low30.5Very low114 Ų114139 Ų13974%0.7478%0.778SS**  trans-116.2150.6-177.339.9-31.5000115.4
730L31.3Very low30.6Very low169 Ų169140.4 Ų140.489%0.88578%0.779SS**  trans-162.2156.4158.4-102.4122.4000108.8
731Q30.1Very low31Very low144 Ų144137.7 Ų137.767%0.67377%0.771SS**  cis173.8148.4-37.9-151.3-170.467.100104.4
732Q31.8Very low31.2Very low154 Ų154137.6 Ų137.672%0.7277%0.77SS**  trans69.3151.4167.4-50.4179.126.700117.7
733Q30.1Very low31.6Very low176 Ų176137.3 Ų137.382%0.82276%0.764SS**  cis-155.5173.3-26.7-108.3-154.6-42.500109.5
734P35Very low31.8Very low98 Ų98137 Ų13764%0.63675%0.752SS**  trans-114.4-152.7-157.443.6-35.7000115.6
735N31.7Very low32.3Very low137 Ų137134.2 Ų134.273%0.73374%0.743SS**  trans89.2145.1163.8-67.7-3.3000118.7
736T31.1Very low32.5Very low104 Ų104131.4 Ų131.464%0.63874%0.735SS**  cis-171.6-177-21.331.60000109.7
737N34.7Very low32.7Very low130 Ų130130.9 Ų130.970%0.69573%0.732SS**  trans88.7108.7157.4-60.3-16000116.2
738T31.6Very low33Very low120 Ų120133.9 Ų133.974%0.73674%0.741SS**  72.6147.174.666.90000113.3
739T35.7Very low33Very low120 Ų120131.4 Ų131.474%0.73673%0.734SS**  cis-162.9127.528.1-13.90000108
740N31.8Very low33Very low149 Ų149131.5 Ų131.580%0.79774%0.738SS**  84.7174.795-135.221.2000114.5
741P39.1Very low33Very low113 Ų113126.9 Ų126.973%0.73473%0.73SS**  -137.5-178.7-103.245.2-28.5000118
742G34.4Very low33Very low75 Ų75128.7 Ų128.777%0.77375%0.745SS**  trans130.9161.9156.400000115.3
743N34.4Very low32.7Very low141 Ų141125.2 Ų125.275%0.75474%0.742SS**  cis-165.5167.5-23.6-169.517.4000109.4
744N35.2Very low32.6Very low115 Ų115124.4 Ų124.462%0.61574%0.743SS**  trans80.6108.3161.7-61.1-40.9000121.2
745N36.9Very low32.2Very low128 Ų128126.1 Ų126.168%0.68475%0.745SS**  88.2102.5117.1-62.8-1.5000123.1
746N34.7Very low32.1Very low138 Ų138128.1 Ų128.174%0.73875%0.754SS**  114.2131.5114.3-69.5-1.3000121.3
747N32.5Very low31.9Very low140 Ų140126.7 Ų126.775%0.74975%0.753SS**  trans72.1107.5158.9-72.9-0.9000121.5
748L31.5Very low31.4Very low152 Ų152125.1 Ų125.180%0.79675%0.752SS**  13.5143.6128.3-63.280.8000117.7
749N28.8Very low31.4Very low142 Ų142126.6 Ų126.676%0.75976%0.755SS**  cis-161.3166.637.5-156.60.5000114.4
750S30.2Very low30.9Very low117 Ų117128.8 Ų128.882%0.81876%0.763SS**  trans72.4148.816477.30000119.5
751G31.4Very low30.7Very low71 Ų71132.9 Ų132.973%0.73277%0.767SS**  trans110.249.8159.900000118.3A753G751-A753 PolarHBondContact O-N 2.99Å
752N29.6Very low30Very low182 Ų182132.8 Ų132.897%0.97377%0.768SS**  trans-64.8107.3175.3-88.15.9000112.7
753A25.5Very low29.7Very low81 Ų81137.6 Ų137.667%0.66978%0.775SS**  trans-132.5110.9160.300000109.2G751G751-A753 PolarHBondContact O-N 2.99Å
754L28.3Very low29.3Very low160 Ų160136 Ų13684%0.83878%0.775SS**  trans-143.8104.9175.5-145.872.6000106.2
755I27.2Very low29Very low134 Ų134138.2 Ų138.269%0.68778%0.783SS**  58.48070.2-51173.6000110.4A757I755-A757 HydrophobicContact CG2-CB 4.28Å
756I29.5Very low28.5Very low179 Ų179138 Ų13892%0.91879%0.792SS**  trans-88.1112.6154-62.5178.6000106.7
757A26.1Very low28.3Very low73 Ų73137.3 Ų137.360%0.60380%0.795SS**  trans-131.6125.2169.300000108.9I755I755-A757 HydrophobicContact CG2-CB 4.28Å
758S26.1Very low28.1Very low98 Ų98136.7 Ų136.769%0.68580%0.796SS**  167.1163.6104.857.20000113.4
759N30Very low27.9Very low150 Ų150134 Ų13480%0.80279%0.79SS**  trans68.958.8149-57.3-20.5000119.8R761N759-R761 PolarHBondContact O-N 3.18Å
760N25.9Very low27.8Very low167 Ų167135.6 Ų135.689%0.89380%0.797SS**  trans-60.1117.3140.6-90.5-27.6000110.2
761R28.4Very low27.7Very low234 Ų234133.6 Ų133.688%0.88380%0.795SS**  trans-166.3109.8147.9-112168.9-163.9-122.31.3114.5N759N759-R761 PolarHBondContact O-N 3.18Å
762C24.5Very low27.6Very low112 Ų112136.2 Ų136.276%0.75780%0.797SS**  49.7102.1129.5-55.30000119.5
763L28.2Very low27.7Very low175 Ų175134.8 Ų134.892%0.91679%0.789SS**  174.8150.191.2-93.3156.6000111.5
764S24.5Very low28.3Very low108 Ų108135.9 Ų135.976%0.75579%0.792SS**  trans-97.3137.7173.252.40000111.9
765M28.8Very low28.9Very low161 Ų161134.8 Ų134.879%0.79379%0.786SS**  trans-144.4112153.6-81.6-164.6164.100109.1
766S26Very low30.1Very low123 Ų123132 Ų13286%0.8678%0.776SS**  trans-71147.4160.1-44.90000109
767P31.5Very low30.8Very low124 Ų124130.6 Ų130.681%0.80577%0.765SS**  -130.6165124.536.9-30.1000112.7
768T27.5Very low31.9Very low127 Ų127130.3 Ų130.378%0.77976%0.763SS**  trans-79.2168.5179.848.20000113.5
769S27.4Very low33.2Very low95 Ų95129.5 Ų129.566%0.66475%0.751SS**  trans71.2116.5148.160.90000119.9
770I26.8Very low34.2Very low176 Ų176128.2 Ų128.290%0.90374%0.74SS**  trans66.296.9140.1-52.8165.5000115.7
771G29.2Very low35.9Very low75 Ų75126.3 Ų126.377%0.77373%0.725SS**  trans-164.3113.2162.700000109.2
772T28.7Very low36.9Very low127 Ų127118.1 Ų118.178%0.77971%0.708SS**  trans-73.5178159.846.30000110.1
773D31.8Very low38.1Very low151 Ų151115.9 Ų115.981%0.80770%0.697SS**  trans86.4139.7175.6-45.5-13.3000114.2
774S38.2Very low39.1Very low104 Ų104113.7 Ų113.773%0.72768%0.684SS**  cis-155.9150.8-23.550.30000108.5T776S774-T776 PolarHBondContact O-N 3.18Å
775L39.8Very low40.3Very low138 Ų138111.5 Ų111.572%0.72367%0.672SS**  trans-62.5135.7173.3-88.3163.3000109.6D779L775-D779 HydrophobicContact CD2-CB 4.24Å
776T53.1Low41.1Very low76 Ų76110.4 Ų110.447%0.46667%0.669SS.*  trans-73.9154.9-16973.40000111.6S774 A778 D779 Q780S774-T776 PolarHBondContact O-N 3.18Å; T776-A778 PolarHBondContact O-N 3.47Å; T776-A778 VanDerWaalsContact O-N 3.11Å; T776-D779 WeakPolarHBondContact CB-OD2 3.44Å; T776-D779 PolarHBondContact N-OD2 3.42Å; T776-D779 VanDerWaalsContact N-OD2 3.14Å; T776-D779 PolarHBondContact O-N 2.98Å; T776-D779 PolarHBondContact OG1-N 3.42Å; T776-D779 PolarHBondContact OG1-OD2 3.32Å; T776-Q780 PolarHBondContact O-N 3.23Å
777E45.1Very low42.1Very low149 Ų149110.2 Ų110.270%0.69666%0.658SS**Hα-helixtrans-57.3-26.8176.4-164.9172.8-179.700112Q781E777-Q781 WeakPolarHBondContact O-CB 3.4Å; E777-Q781 WeakPolarHBondContact O-CG 3.22Å; E777-Q781 PolarHBondContact O-N 3.05Å
778A48.6Very low42.6Very low66 Ų66106.3 Ų106.355%0.54564%0.636SS.*Hα-helixtrans-69.1-38.9173.700000113.1T776 Q781 A782T776-A778 PolarHBondContact O-N 3.47Å; T776-A778 VanDerWaalsContact O-N 3.11Å; A778-Q781 PolarHBondContact O-N 3.48Å; A778-A782 WeakPolarHBondContact O-CB 3.36Å; A778-A782 PolarHBondContact O-N 3.11Å
779D54Low43.4Very low81 Ų81104.1 Ų104.143%0.43363%0.631SS.*Hα-helixtrans-67.5-39.1176.6-59-61.5000111L775 T776 A782 A783L775-D779 HydrophobicContact CD2-CB 4.24Å; T776-D779 WeakPolarHBondContact CB-OD2 3.44Å; T776-D779 PolarHBondContact N-OD2 3.42Å; T776-D779 VanDerWaalsContact N-OD2 3.14Å; T776-D779 PolarHBondContact O-N 2.98Å; T776-D779 PolarHBondContact OG1-N 3.42Å; T776-D779 PolarHBondContact OG1-OD2 3.32Å; D779-A782 PolarHBondContact O-N 2.8Å; D779-A783 WeakPolarHBondContact O-CB 3.38Å; D779-A783 PolarHBondContact O-N 3.44Å
780Q50.6Low44.2Very low124 Ų124103.5 Ų103.558%0.57963%0.632SS**Hα-helixtrans-65.2-42.4172.6-72.4-167.2-11.800112.1T776 A783 M784T776-Q780 PolarHBondContact O-N 3.23Å; Q780-A783 PolarHBondContact O-N 3.23Å; Q780-M784 VanDerWaalsContact O-CB 3.23Å; Q780-M784 WeakPolarHBondContact O-CB 3.38Å; Q780-M784 PolarHBondContact O-N 3.44Å
781Q60.9Low44.9Very low126 Ų12699.9 Ų99.959%0.58962%0.618SS**Hα-helixtrans-66-38175.5-76.7-177.4-0.900112.7E777 A778 M784 A785E777-Q781 WeakPolarHBondContact O-CB 3.4Å; E777-Q781 WeakPolarHBondContact O-CG 3.22Å; E777-Q781 PolarHBondContact O-N 3.05Å; A778-Q781 PolarHBondContact O-N 3.48Å; Q781-M784 PolarHBondContact O-N 2.88Å; Q781-A785 VanDerWaalsContact O-CB 3.3Å; Q781-A785 WeakPolarHBondContact O-CB 3.48Å; Q781-A785 PolarHBondContact O-N 3.25Å
782A50.1Low45.4Very low63 Ų63104.4 Ų104.452%0.52162%0.619SS.*Hα-helixtrans-63.8-45.3175.300000112A778 D779 A785 L786A778-A782 WeakPolarHBondContact O-CB 3.36Å; A778-A782 PolarHBondContact O-N 3.11Å; D779-A782 PolarHBondContact O-N 2.8Å; A782-A785 PolarHBondContact O-N 2.72Å; A782-L786 PolarHBondContact O-N 2.73Å; A782-L786 VanDerWaalsContact O-N 3.07Å
783A48.3Very low45.7Very low64 Ų64102 Ų10253%0.52962%0.619SS.*Hα-helixtrans-63.9-40.217500000112.3D779 Q780 L786 L787D779-A783 WeakPolarHBondContact O-CB 3.38Å; D779-A783 PolarHBondContact O-N 3.44Å; Q780-A783 PolarHBondContact O-N 3.23Å; A783-L786 PolarHBondContact O-N 3.02Å; A783-L787 WeakPolarHBondContact O-CB 3.46Å; A783-L787 PolarHBondContact O-N 3.21Å
784M50.9Low45.7Very low129 Ų129103.5 Ų103.564%0.63562%0.623SS**Hα-helixtrans-70.1-36179.5-161.9176.1-60.800112.3Q780 Q781 L787 A788Q780-M784 VanDerWaalsContact O-CB 3.23Å; Q780-M784 WeakPolarHBondContact O-CB 3.38Å; Q780-M784 PolarHBondContact O-N 3.44Å; Q781-M784 PolarHBondContact O-N 2.88Å; M784-L787 PolarHBondContact O-N 2.81Å; M784-A788 WeakPolarHBondContact O-CB 3.32Å; M784-A788 PolarHBondContact O-N 3.16Å
785A48.8Very low45.4Very low62 Ų62105.9 Ų105.951%0.51263%0.628SS.*Hα-helixtrans-67.5-39.7173.400000112.3Q781 A782 L787 A788 A789Q781-A785 VanDerWaalsContact O-CB 3.3Å; Q781-A785 WeakPolarHBondContact O-CB 3.48Å; Q781-A785 PolarHBondContact O-N 3.25Å; A782-A785 PolarHBondContact O-N 2.72Å; A785-L787 VanDerWaalsContact C-N 3.32Å; A785-A788 PolarHBondContact O-N 2.74Å; A785-A789 WeakPolarHBondContact O-CB 3.34Å; A785-A789 PolarHBondContact O-N 3.28Å
786L46.6Very low45Very low138 Ų138104.4 Ų104.472%0.72363%0.625SS**Hα-helixtrans-65.4-37.4175-155.380.8000111.6A782 A783 A790A782-L786 PolarHBondContact O-N 2.73Å; A782-L786 VanDerWaalsContact O-N 3.07Å; A783-L786 PolarHBondContact O-N 3.02Å; L786-A790 PolarHBondContact O-N 3.05Å; L786-A790 VanDerWaalsContact O-N 3.15Å
787L45.6Very low44Very low120 Ų120109.7 Ų109.763%0.62864%0.641SS**Hα-helixtrans-69.4-40.5176.2-169.664.6000112A783 M784 A785 A790 T791A783-L787 WeakPolarHBondContact O-CB 3.46Å; A783-L787 PolarHBondContact O-N 3.21Å; M784-L787 PolarHBondContact O-N 2.81Å; A785-L787 VanDerWaalsContact C-N 3.32Å; L787-A790 PolarHBondContact O-N 2.8Å; L787-T791 PolarHBondContact O-N 2.8Å; L787-T791 PolarHBondContact O-OG1 3.39Å
788A43.4Very low43.4Very low41 Ų41111.6 Ų111.634%0.33964%0.642SS.*Hα-helixtrans-60.7-48.2173.700000111.6M784 A785 A790 T791 E792M784-A788 WeakPolarHBondContact O-CB 3.32Å; M784-A788 PolarHBondContact O-N 3.16Å; A785-A788 PolarHBondContact O-N 2.74Å; A788-A790 PolarHBondContact O-N 3.26Å; A788-T791 PolarHBondContact O-N 2.78Å; A788-T791 PolarHBondContact O-OG1 3.46Å; A788-E792 PolarHBondContact O-N 3.35Å
789A43.7Very low42.7Very low81 Ų81114.6 Ų114.667%0.66965%0.645SS**Hα-helixtrans-61.7-22.3176.300000113.8A785A785-A789 WeakPolarHBondContact O-CB 3.34Å; A785-A789 PolarHBondContact O-N 3.28Å
790A43Very low41.6Very low83 Ų83116.1 Ų116.169%0.68665%0.653SS**THydrogen-bonded Turntrans-85.8-5.7172.600000114L786 L787 A788L786-A790 PolarHBondContact O-N 3.05Å; L786-A790 VanDerWaalsContact O-N 3.15Å; L787-A790 PolarHBondContact O-N 2.8Å; A788-A790 PolarHBondContact O-N 3.26Å
791T43.1Very low40.8Very low99 Ų99118.1 Ų118.161%0.60766%0.662SS**THydrogen-bonded Turntrans-115.7-22.2-178.754.60000114.6L787 A788 G793L787-T791 PolarHBondContact O-N 2.8Å; L787-T791 PolarHBondContact O-OG1 3.39Å; A788-T791 PolarHBondContact O-N 2.78Å; A788-T791 PolarHBondContact O-OG1 3.46Å; T791-G793 PolarHBondContact O-N 3.06Å; T791-G793 VanDerWaalsContact O-N 3.11Å
792E38.1Very low39.5Very low170 Ų170118.3 Ų118.379%0.79467%0.672SS**THydrogen-bonded Turntrans-86.668.4177.6-68.2-173.5-168.500112.4A788A788-E792 PolarHBondContact O-N 3.35Å
793G35.7Very low38.7Very low76 Ų76121.7 Ų121.778%0.78469%0.687SS**THydrogen-bonded Turntrans-157.75.5-179.200000117.6T791T791-G793 PolarHBondContact O-N 3.06Å; T791-G793 VanDerWaalsContact O-N 3.11Å
794M31.6Very low38.2Very low184 Ų184123.9 Ų123.991%0.90670%0.696SS**  trans-143.972.9-169.1-164.1168.2-170.100114
795D31.5Very low37.3Very low154 Ų154123 Ų12382%0.82470%0.703SS**  trans-155.4155.9158.7-136.5-28.5000114.7
796T32.6Very low36.6Very low106 Ų106124.6 Ų124.665%0.6571%0.71SS**  trans79.6139.4172.276.90000120.9
797F32.2Very low36Very low187 Ų187125.2 Ų125.282%0.8271%0.713SS**  trans59.399.5169.9-55.9-72.9000118.2
798R31.3Very low35.4Very low189 Ų189127.2 Ų127.271%0.71372%0.719SS**  cis89.4119.522.5-153.2-177.189.185.912.8115.7
799E33.9Very low34.7Very low130 Ų130129.9 Ų129.961%0.60774%0.735SS**  trans68.3141.9172.2-73.6163.5179.500116.5
800N32.8Very low34.3Very low112 Ų112131.8 Ų131.860%0.59974%0.741SS**  cis-138.7146.66.8-95.5-43.5000110.8
801Q31.9Very low33.9Very low166 Ų166135.5 Ų135.578%0.77675%0.747SS**  45.7132.8100.8-47.2-175.644.900115.3
802T34.5Very low33.4Very low130 Ų130136.6 Ų136.680%0.79876%0.756SS**  cis-144.9173.63048.60000115
803T32.9Very low32.9Very low135 Ų135136 Ų13683%0.82876%0.757SS**  trans-114.7-158.7-174.4490000112.8
804P37.8Very low32.7Very low110 Ų110139 Ų13971%0.71476%0.759SS**  -130.3-152.3-78.242.1-25000113.4
805S32.6Very low32.5Very low111 Ų111136.5 Ų136.578%0.77675%0.75SS**  trans100.9144.6165.1-45.50000115.7
806S34.7Very low32.4Very low94 Ų94136.2 Ų136.266%0.65775%0.749SS**  cis-169.8156.9-0.948.70000113.2
807L33.1Very low32.2Very low151 Ų151138.1 Ų138.179%0.79175%0.754SS**  trans65.3154.1154.5-65.6155.6000117.7
808Q32.6Very low32.2Very low163 Ų163137.3 Ų137.376%0.76276%0.757SS**  cis-161.2160.1-24.1-168.867.70.900108.3
809S28.4Very low32.1Very low97 Ų97133.4 Ų133.468%0.67876%0.759SS**  trans-88.4-174.9177.562.30000113
810P36Very low31.9Very low121 Ų121138.6 Ų138.679%0.78677%0.773SS**  cis-140.2-158.67.943.4-21.5000116.7
811I34.6Very low31.7Very low160 Ų160140.8 Ų140.882%0.82178%0.784SS**  trans-99.8155.4-167.9-53.1155.7000112.9
812P32.1Very low31.7Very low123 Ų123140.5 Ų140.580%0.79979%0.788SS**  trans-139155.5139.438-24.2000117.8
813I27.2Very low31.5Very low157 Ų157139.1 Ų139.181%0.80578%0.783SS**  trans-59153.3179.4-53.9155.4000114.8
814V32.8Very low31.5Very low138 Ų138139.2 Ų139.284%0.83679%0.788SS**  trans177.1146.3131.6147.90000113.5
815N26.7Very low31.3Very low133 Ų133141.3 Ų141.371%0.71179%0.792SS**  trans-71.8146.6177.8-56.1-23.4000113.7
816N30.6Very low31.3Very low148 Ų148143.3 Ų143.379%0.79179%0.794SS**  176163.4103.8-99.2-45.7000115.2
817N27.3Very low31.2Very low145 Ų145143.5 Ų143.578%0.77579%0.791SS**  trans-56.7140.2174.6-45.7-66.8000113.7
818I33.2Very low31.2Very low171 Ų171142.6 Ų142.688%0.87779%0.792SS**  -173.7152.3128-98.1155.4000110
819S28.1Very low31.1Very low107 Ų107140.3 Ų140.375%0.74879%0.79SS**  trans-94.9131.2-172.241.80000114.9
820R30.2Very low31.3Very low239 Ų239143.6 Ų143.690%0.90280%0.8SS**  trans-175.2122.5150.8-98.8152.4-179.1-178.6-0.9105.9
821L28.2Very low31Very low158 Ų158143 Ų14383%0.82779%0.794SS**  69.982.852.1-161.787.9000112.7
822D31.4Very low31Very low160 Ų160141 Ų14186%0.85679%0.789SS**  trans175.8151.9153.6-92.3-28.3000106.3
823S31.9Very low31.1Very low100 Ų100141.5 Ų141.570%0.69979%0.785SS**  cis-165.5139.9-13.356.20000108.9
824C31.2Very low31.4Very low137 Ų137140 Ų14093%0.92678%0.783SS**  trans-160123.4155.8-122.40000110.2
825L34Very low31.3Very low154 Ų154139 Ų13981%0.80678%0.778SS**  trans-106.4138.4-168.6-129.674.6000111.8
826N32.6Very low31.7Very low153 Ų153139.3 Ų139.382%0.81878%0.779SS**  -158.3108.9128.5-103.3-40.4000109.8
827T33Very low31.8Very low98 Ų98139 Ų13960%0.60178%0.778SS**  52.5118.889-17.10000111.7
828T33.8Very low32.2Very low132 Ų132137.2 Ų137.281%0.8177%0.768SS**  cis-146.5150.832.7-460000112.8
829T30.2Very low32.2Very low116 Ų116135.7 Ų135.771%0.71276%0.762SS**  trans-82.8151.9176.649.50000114
830N33Very low32.5Very low166 Ų166136.9 Ų136.989%0.88876%0.76SS**  -152.3152.8129.5-123.8-17000112.2
831T29.6Very low32.6Very low108 Ų108133 Ų13366%0.66376%0.757SS**  trans-136.9133.5-164.3-53.20000110.8
832T35Very low32.6Very low118 Ų118133.8 Ų133.872%0.72476%0.762SS**  175.6124.8127.9360000114.1
833N32.5Very low32.6Very low134 Ų134130 Ų13072%0.71775%0.753SS**  trans66.8139130.4-55.7-6.6000124.3
834T34.1Very low32.3Very low124 Ų124134.6 Ų134.676%0.76176%0.763SS**  trans82.693.5143.331.20000122.3
835T31.6Very low32.3Very low119 Ų119134.1 Ų134.173%0.7376%0.756SS**  79.8138.2129.932.60000123.1
836N34.8Very low32.1Very low138 Ų138131.9 Ų131.974%0.73875%0.751SS**  trans79.197.6153.8-61.4-8000120.3
837N31.8Very low32.1Very low142 Ų142130.5 Ų130.576%0.75975%0.748SS**  41.9103.9125.7-58.65.8000119.2
838N36.1Very low32.1Very low107 Ų107132.9 Ų132.957%0.57276%0.756SS**  -175.3150.391.7-97-13.5000114Q685Q685-N838 PolarHBondContact OE1-ND2 3.22Å
839N33.4Very low31.9Very low140 Ų140133.3 Ų133.375%0.74975%0.749SS**  trans-51.4132.5-174.7-50.4-25.7000115.7
840N34.1Very low32.1Very low132 Ų132134.4 Ų134.471%0.70675%0.751SS**  -179.496.4110.2-91.3-9.5000110.9N842N840-N842 PolarHBondContact O-N 3.26Å
841N32.5Very low32.6Very low156 Ų156132.2 Ų132.283%0.83474%0.739SS**  trans-87.4104.2-179.4-71.61000111.5A843N841-A843 PolarHBondContact O-N 2.86Å
842N29Very low33.1Very low176 Ų176131.5 Ų131.594%0.94174%0.736SS**  trans-67.6106.6147.8-80.7-10.8000107.3N840N840-N842 PolarHBondContact O-N 3.26Å
843A30.1Very low33.1Very low79 Ų79128.6 Ų128.665%0.65372%0.72SS**  trans-125.9133174.200000109.2N841N841-A843 PolarHBondContact O-N 2.86Å
844Q27Very low33.5Very low198 Ų198128.2 Ų128.293%0.92572%0.724SS**PPolyproline II helixtrans-69.8133.7-174.5-67.2152.2-94.500110.9
845V30.4Very low34Very low126 Ų126122.5 Ų122.576%0.76469%0.69SS**PPolyproline II helixtrans-85.1128.3168.1-178.80000107.8
846P29.8Very low34.7Very low108 Ų108122.4 Ų122.470%0.70168%0.677SS**PPolyproline II helixtrans-62.2139.7170.5-20.132.8000110.8
847V32.2Very low35.6Very low124 Ų124116.3 Ų116.375%0.75264%0.644SS**  trans-99.1100.8174.1-176.50000108.2E849V847-E849 HydrophobicContact CG1-CG 3.92Å; V847-E849 PolarHBondContact O-N 2.8Å
848D33.6Very low36.2Very low147 Ų147115.6 Ų115.679%0.78664%0.636SS**  trans-78.595.2166.8-69.9-40.9000108.6D850D848-D850 PolarHBondContact O-N 2.95Å
849E29.8Very low36.4Very low142 Ų142114.2 Ų114.266%0.66464%0.64SS**  trans-73.368.1175.1-70.2-167.6122.500111.4R182 V847R182-E849 IonicContact CZ-OE1 3.73Å; R182-E849 IonicContact NH1-OE1 3.84Å; R182-E849 IonicContact NH2-OE1 2.72Å; R182-E849 PolarHBondContact NH2-OE1 3.43Å; V847-E849 HydrophobicContact CG1-CG 3.92Å; V847-E849 PolarHBondContact O-N 2.8Å
850D33.5Very low36.7Very low139 Ų139109.4 Ų109.474%0.74361%0.614SS**  trans-120.615.3-171-126.6-2.1000115.2D848D848-D850 PolarHBondContact O-N 2.95Å
851N43.4Very low36.7Very low120 Ų120105.7 Ų105.764%0.64261%0.607SS**SBendtrans-127.8129.5166.5-85.912000108.6K62K62-N851 PolarHBondContact NZ-OD1 3.47Å; K62-N851 VanDerWaalsContact NZ-OD1 3.13Å
852P40.5Very low36.6Very low92 Ų92106.3 Ų106.360%0.59761%0.609SS**PPolyproline II helixtrans-66.3149171.828.7-34.2000111
853P35.2Very low36.7Very low58 Ų58105.8 Ų105.838%0.37761%0.605SS.*PPolyproline II helixtrans-66.5151.8178.228.3-34.5000111.4G855 Y856P853-G855 PolarHBondContact O-N 3.37Å; P853-G855 VanDerWaalsContact O-N 3.12Å; P853-Y856 HydrophobicContact CG-CD2 4.06Å; P853-Y856 HydrophobicContact CG-CE2 3.97Å
854P41.1Very low36.7Very low125 Ų125110.6 Ų110.681%0.81261%0.614SS**THydrogen-bonded Turntrans-57.1118176-22.333.1000110.9
855G44.9Very low36.7Very low4 Ų4108.5 Ų108.54%0.04161%0.609CS.*THydrogen-bonded Turntrans146.8-33.4-178.100000114.7C189 P853 D857C189-G855 PolarHBondContact N-O 2.79Å; P853-G855 PolarHBondContact O-N 3.37Å; P853-G855 VanDerWaalsContact O-N 3.12Å; G855-D857 PolarHBondContact O-N 3.5Å; G855-D857 VanDerWaalsContact O-N 3.09Å
856Y46.4Very low36.6Very low118 Ų118110.5 Ų110.546%0.46362%0.615SS.*  trans-76.290.1174.7-76.6-90.5000110.5R59 P853R59-Y856 PolarHBondContact NH1-O 3.16Å; P853-Y856 HydrophobicContact CG-CD2 4.06Å; P853-Y856 HydrophobicContact CG-CE2 3.97Å
857D52.9Low36.5Very low10 Ų10114.6 Ų114.65%0.05362%0.622CS.*  trans-128.1-4.1-178-89-29.6000116R59 R105 W107 C189 N191 G855 A859R59-D857 IonicContact CZ-OD1 3.11Å; R59-D857 VanDerWaalsContact CZ-OD1 3.25Å; R59-D857 IonicContact NH1-OD1 2.68Å; R59-D857 PolarHBondContact NH1-OD1 2.93Å; R59-D857 IonicContact NH2-OD1 3.75Å; R59-D857 PolarHBondContact NH2-OD1 3.17Å; R105-D857 IonicContact NH1-OD1 2.74Å; R105-D857 PolarHBondContact NH1-OD1 2.89Å; R105-D857 IonicContact NH1-OD2 2.84Å; R105-D857 PolarHBondContact NH1-OD2 3.45Å; W107-D857 HydrophobicContact CH2-CB 4.17Å; C189-D857 HydrophobicContact CB-CB 4.46Å; N191-D857 PolarHBondContact ND2-OD2 2.9Å; G855-D857 PolarHBondContact O-N 3.5Å; G855-D857 VanDerWaalsContact O-N 3.09Å; D857-A859 VanDerWaalsContact C-N 3.34Å; D857-A859 PolarHBondContact O-N 3.3Å
858E45.4Very low36.4Very low126 Ų126116.3 Ų116.359%0.58962%0.624SS**THydrogen-bonded Turntrans-74.5-6.7-170.4-60.8-168.7138.300116.7C189 I860C189-E858 VanDerWaalsContact SG-CG 3.51Å; E858-I860 PolarHBondContact O-N 2.99Å
859A38.9Very low36.1Very low79 Ų79115.8 Ų115.865%0.65362%0.621SS**THydrogen-bonded Turntrans-77.9-12.8-168.900000115.8D857D857-A859 VanDerWaalsContact C-N 3.34Å; D857-A859 PolarHBondContact O-N 3.3Å
860I40.3Very low36.2Very low39 Ų39116.1 Ų116.120%0.263%0.628CS.*SBendtrans-111.754.9-167-48.1162.2000110.7D57 P58 K234 E858D57-I860 WeakPolarHBondContact OD1-CD1 3.39Å; P58-I860 HydrophobicContact CG-CD1 4.15Å; P58-I860 HydrophobicContact CG-CG1 4.39Å; K234-I860 PolarHBondContact NZ-O 2.94Å; E858-I860 PolarHBondContact O-N 2.99Å
861G33.6Very low36.2Very low54 Ų54115.6 Ų115.656%0.55763%0.629SS**SBendtrans-138.9-15178.900000116.2
862L31Very low35.4Very low168 Ų168117.5 Ų117.588%0.8864%0.639SS**  trans-124.130.5-165.6-70.2172000114.5
863I30.4Very low34.9Very low165 Ų165121.6 Ų121.685%0.84665%0.653SS**  trans-118.968.9174.9-47.1-178.3000109.9
864Q29.4Very low34.6Very low180 Ų180122.6 Ų122.684%0.84167%0.666SS**  trans-89.1151.1165.6-150.217940.400109.9N866Q864-N866 PolarHBondContact O-N 3.17Å; Q864-N866 VanDerWaalsContact O-N 3.13Å
865N27.6Very low34Very low154 Ų154125 Ų12582%0.82467%0.668SS**  trans-55112.7-167.5-71.3-58.5000114.6
866N28.4Very low33.2Very low168 Ų168132.4 Ų132.490%0.89870%0.704SS**  trans-123.866.5161.9-98.2-45.1000110.2Q864Q864-N866 PolarHBondContact O-N 3.17Å; Q864-N866 VanDerWaalsContact O-N 3.13Å
867F28.1Very low32.6Very low195 Ų195133.6 Ų133.686%0.85572%0.715SS**  trans-111.9137.4166.8-105.8-89.2000109.3
868M29.6Very low31.6Very low160 Ų160139 Ų13979%0.78874%0.744SS**SBendtrans78.9114.9177.5-56.7-80.5-162.500117.9
869N28.5Very low30.8Very low135 Ų135139.1 Ų139.172%0.72275%0.753SS**  trans67.387.4138.3-53.2-22000120.8
870N30.5Very low30.3Very low149 Ų149143.2 Ų143.280%0.79776%0.761SS**  -168.4127.1105.3-93-52.3000108.9
871V34.3Very low29.8Very low129 Ų129148.2 Ų148.278%0.78279%0.793SS**  61.6117.380.9-178.60000113M873V871-M873 PolarHBondContact O-N 2.87Å
872N26.7Very low29.7Very low159 Ų159154.9 Ų154.985%0.8581%0.807SS**  trans-50.4117.7176.5-81.3-31.9000113.8
873M29.7Very low29.7Very low179 Ų179152.2 Ų152.288%0.88280%0.8SS**  trans-161.6112.5137.6-104.1161-169.200107.5V871V871-M873 PolarHBondContact O-N 2.87Å
874A28Very low29.6Very low78 Ų78149.2 Ų149.265%0.64580%0.799SS**  76.181.757.300000114
875M29.8Very low29.8Very low177 Ų177147.2 Ų147.287%0.87280%0.8SS**  -178.1132.5118-91.6169.9-72.900107.4
876M28.7Very low30Very low158 Ų158144.8 Ų144.878%0.77879%0.792SS**  76.6126.352.1-156.4-166.2-167.600112.5
877M33.2Very low30.2Very low143 Ų143144 Ų14470%0.70479%0.786SS**  trans89.1124.9165.4-56-148.8175.700120.9
878N31Very low30.3Very low123 Ų123140.2 Ų140.266%0.65878%0.781SS**  trans77.494.2136.8-59.6-3.2000120.5
879T28.5Very low30.3Very low129 Ų129139.8 Ų139.879%0.79178%0.782SS**  -36.9133.4123.340.90000113.2
880M29.4Very low30.6Very low165 Ų165140 Ų14081%0.81379%0.788SS**  trans-174.3130.1135.9-109.7176-7400111.8
881V29.9Very low30.6Very low145 Ų145139.6 Ų139.688%0.87979%0.792SS**  trans-68.5139.3161.9175.70000108.6
882K31Very low30.2Very low193 Ų193139.1 Ų139.184%0.83979%0.792SS**  trans-122.9130.6171.2-164.4173.6-177.1178.20110.1
883P31Very low30.6Very low112 Ų112137.9 Ų137.973%0.72779%0.791SS**  trans-78163.6-169.131.4-37.2000113.9
884A27.6Very low31.1Very low102 Ų102135 Ų13584%0.84379%0.786SS**  trans-70.8149.1179.600000113.8
885V34.4Very low31.8Very low139 Ų139137 Ų13784%0.84279%0.792SS**  trans-140135.7167.4-177.70000107.4
886P32.7Very low32.4Very low102 Ų102134.7 Ų134.766%0.66279%0.79SS**  trans-107.7160.6-161.239.7-35.8000116.2
887I31.2Very low32.8Very low152 Ų152132 Ų13278%0.77979%0.793SS**  trans72.6142.6152.4-74.3161.8000114.7
888P31.3Very low33Very low116 Ų116133.1 Ų133.175%0.75380%0.801SS**  cis-134.5173.334.738.8-19.6000119.1
889N28.6Very low33.5Very low151 Ų151132.3 Ų132.381%0.80780%0.803SS**  trans-68140.1178.4-50.9-13.3000113.7
890T34.3Very low33.9Very low139 Ų139132.5 Ų132.585%0.85381%0.806SS**  trans-143.1129148.347.70000112.9
891T31.5Very low34.2Very low141 Ų141136.3 Ų136.387%0.86581%0.811SS**  trans-38.7154.3177.1-47.30000118.7
892C26.1Very low34.5Very low118 Ų118140.3 Ų140.380%0.79781%0.81SS**  trans-59.4148-180-40.20000116.5
893T35.4Very low34.7Very low134 Ų134139.1 Ų139.182%0.82281%0.811SS**  trans-146136.2149.744.60000111
894P39.1Very low35.2Very low118 Ų118140.1 Ų140.177%0.76681%0.809SS**PPolyproline II helixtrans-74.5164.4172.832.1-35.1000112.5
895P42.2Very low35.7Very low120 Ų120142.8 Ų142.878%0.77981%0.81SS**PPolyproline II helixtrans-70.2154.6-17227.8-36000114.5
896P42.7Very low35.8Very low128 Ų128139.6 Ų139.683%0.83180%0.804SS**PPolyproline II helixtrans-77.4140.8-175.931.3-35.5000113.4
897A37.6Very low36.1Very low101 Ų101142.1 Ų142.184%0.83582%0.818SS**PPolyproline II helixtrans-79.5146.4175.200000112.8
898L37.8Very low36.2Very low168 Ų168138.5 Ų138.588%0.8882%0.817SS**PPolyproline II helixtrans-92.4150173.8-77.6166.7000111.9
899P41Very low36.2Very low106 Ų106140.7 Ų140.769%0.68882%0.822SS**PPolyproline II helixtrans-85.4152.4-167.233.3-36.7000114.5
900P37.8Very low36.8Very low132 Ų132142.4 Ų142.486%0.85783%0.825SS**PPolyproline II helixtrans-75.4138179.731-35.3000112.6
901R35.8Very low36.7Very low246 Ų246142.4 Ų142.493%0.92882%0.82SS**PPolyproline II helixtrans-89.7133170.5-77.2-169.1171-146.1-0.8111.5
902R36Very low37.1Very low229 Ų229143.5 Ų143.586%0.86482%0.819SS**PPolyproline II helixtrans-71.6143.5168.2-80.4-176.3167.9-162.1-3.1111.1
903I34.9Very low37.5Very low167 Ų167147 Ų14786%0.85682%0.824SS**PPolyproline II helixtrans-85.1136.7163.9-55.1169.4000108.5
904I40.4Very low37.1Very low134 Ų134147.8 Ų147.869%0.68782%0.823SS**  trans-137.4110.6162.4-61.8-176.1000109
905N39.5Very low37.1Very low158 Ų158146.6 Ų146.685%0.84582%0.815SS**  trans42.9113.3153.4-53.3-3.1000120.1
906G36.5Very low36.5Very low71 Ų71149.5 Ų149.573%0.73282%0.818SS**  trans149.393.7141.300000118
907V37.4Very low35.7Very low156 Ų156148.4 Ų148.495%0.94581%0.813SS**SBendtrans68119.6160.3-168.90000117.2
908G35.1Very low35.3Very low75 Ų75152.2 Ų152.277%0.77382%0.816SS**  trans91.582.9158.800000116.5
909L31.5Very low35.1Very low162 Ų162151 Ų15185%0.84882%0.816SS**  trans-107130.5150.3-9182.8000108.5
910E40.6Very low34.9Very low187 Ų187150.7 Ų150.787%0.87482%0.816SS**  trans-140.9135.6147.948.1-165.4129.300107.2
911D32.6Very low34.4Very low139 Ų139150.9 Ų150.974%0.74382%0.819SS**  trans-85.2129.5-153.4-48.9-85000113.9
912I38.6Very low34.7Very low164 Ų164145.3 Ų145.384%0.84181%0.807SS**  trans-132.2131.2150.7-74.495.3000107.5
913E34.4Very low34.9Very low192 Ų192137.9 Ų137.990%0.89779%0.79SS**  trans-81.1141.5-177.6-64169.6119.100112.3
914D27.7Very low35.5Very low151 Ų151136.3 Ų136.381%0.80778%0.782SS**  trans-145.8150.7174.6-171.959.2000106.6
915P38Very low35.8Very low92 Ų92130.7 Ų130.760%0.59776%0.756SS**  cis-123.6-170.9-15.724.6-1.4000112.3
916Q29.6Very low36.3Very low181 Ų181130 Ų13085%0.84675%0.747SS**  trans26.9137.6146-66.5-176.81.800122.4
917S27.5Very low36.7Very low105 Ų105136.1 Ų136.173%0.73475%0.748SS**  trans108.7142.9147.282.40000118.5
918M27.5Very low37.4Very low182 Ų182136.5 Ų136.590%0.89773%0.734SS**  trans46.984.2162.3-56.1-171.2-167.800118.3
919T34.5Very low37.8Very low142 Ų142136.3 Ų136.387%0.87173%0.732SS**  trans-138.2129.5143.18.10000111.5
920S36.5Very low38.4Very low100 Ų100134.3 Ų134.370%0.69972%0.721SS**  trans-49.3146.9-17846.40000115.6I922S920-I922 PolarHBondContact O-N 3.42Å; S920-I922 VanDerWaalsContact O-N 3.1Å
921C28.7Very low39Very low135 Ų135129.6 Ų129.691%0.91271%0.707SS**  trans-56.2110.2169.2-53.70000111.6
922I40.7Very low39.8Very low130 Ų130128.8 Ų128.867%0.66771%0.707SS**  trans-84.6123.8164.6-70.9175.9000107.6S920 E926S920-I922 PolarHBondContact O-N 3.42Å; S920-I922 VanDerWaalsContact O-N 3.1Å; I922-E926 HydrophobicContact CG2-CB 4.02Å
923S39.7Very low40.6Very low73 Ų73125 Ų12551%0.5170%0.7SS.*  trans-69.8149.7-177.2179.70000111.4A925 E926S923-A925 PolarHBondContact O-N 2.98Å; S923-A925 VanDerWaalsContact O-N 3.09Å; S923-A925 PolarHBondContact OG-N 2.87Å; S923-E926 PolarHBondContact O-N 3.47Å
924L48Very low40.8Very low133 Ų133124.6 Ų124.670%0.69670%0.698SS**Hα-helixtrans-56.5-28.6175.5-145.977.6000111.9E926 R927 Y928L924-E926 PolarHBondContact O-N 3.35Å; L924-R927 WeakPolarHBondContact O-CB 3.48Å; L924-R927 PolarHBondContact O-N 2.97Å; L924-Y928 HydrophobicContact CG-CD2 4.31Å; L924-Y928 HydrophobicContact CG-CE2 4.26Å; L924-Y928 WeakPolarHBondContact O-CD2 3.34Å; L924-Y928 PolarHBondContact O-N 3.2Å
925A46.9Very low41.5Very low16 Ų16126.4 Ų126.413%0.13271%0.706CS.*Hα-helixtrans-60.3-42.3175.800000113.2S923 R927 Y928 G929S923-A925 PolarHBondContact O-N 2.98Å; S923-A925 VanDerWaalsContact O-N 3.09Å; S923-A925 PolarHBondContact OG-N 2.87Å; A925-R927 PolarHBondContact O-N 3.43Å; A925-Y928 PolarHBondContact O-N 3.31Å; A925-G929 PolarHBondContact O-N 3.43Å
926E50Low41.7Very low143 Ų143128.2 Ų128.267%0.66871%0.711SS**Hα-helixtrans-67.8-24.9177.5-68.6-176.1109.200112.1I922 S923 L924I922-E926 HydrophobicContact CG2-CB 4.02Å; S923-E926 PolarHBondContact O-N 3.47Å; L924-E926 PolarHBondContact O-N 3.35Å
927R45.5Very low42.3Very low200 Ų200125.4 Ų125.476%0.75570%0.704SS**Hα-helixtrans-78.4-17.9178.7-141.6179.2-153.7-137.45.5114L924 A925L924-R927 WeakPolarHBondContact O-CB 3.48Å; L924-R927 PolarHBondContact O-N 2.97Å; A925-R927 PolarHBondContact O-N 3.43Å
928Y51.8Low43.2Very low165 Ų165126.5 Ų126.565%0.64770%0.703SS**Hα-helixtrans-124.3-0.4-177-70.3-76.8000114.6L924 A925 L930L924-Y928 HydrophobicContact CG-CD2 4.31Å; L924-Y928 HydrophobicContact CG-CE2 4.26Å; L924-Y928 WeakPolarHBondContact O-CD2 3.34Å; L924-Y928 PolarHBondContact O-N 3.2Å; A925-Y928 PolarHBondContact O-N 3.31Å; Y928-L930 VanDerWaalsContact C-N 3.32Å; Y928-L930 PolarHBondContact O-N 3.1Å
929G43.5Very low44.1Very low70 Ų70123.2 Ų123.272%0.72269%0.691SS**THydrogen-bonded Turntrans69.824.3169.500000115.1A925A925-G929 PolarHBondContact O-N 3.43Å
930L45.1Very low44.7Very low120 Ų120122.1 Ų122.163%0.62868%0.68SS**  trans-84.6137.3179.1-76.7150.2000110.8Y928Y928-L930 VanDerWaalsContact C-N 3.32Å; Y928-L930 PolarHBondContact O-N 3.1Å
931P52.3Low45.2Very low89 Ų89123.5 Ų123.558%0.57868%0.679SS**  trans-69.5132.9-178.828.3-33.9000111.5A933P931-A933 PolarHBondContact O-N 3.03Å
932V48.4Very low46.4Very low122 Ų122122.7 Ų122.774%0.73966%0.662SS**THydrogen-bonded Turntrans-77.642.5-176.6-163.20000112
933A55.4Low46.9Very low85 Ų85122.2 Ų122.270%0.70266%0.662SS**THydrogen-bonded Turntrans-124.9-1.3-176.400000113.6P931P931-A933 PolarHBondContact O-N 3.03Å
934E39.5Very low47.5Very low182 Ų182126.3 Ų126.385%0.8567%0.674SS**  trans-127.125.1177-63.2-172.2125.700112.1
935I43.1Very low47.4Very low190 Ų190125.6 Ų125.697%0.97467%0.672SS**  trans-1180169.3-50.4177.5000107.6

Retrieved 935 of 935 residues in 762.4 ms (Link to these results)

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