A0A087WUX9_HUMAN Loading...

Androgen receptor

AlphaFold DB , UniProt , Accession A0A087WUX9, Species HUMAN (Homo sapiens, Human), Gene AR, Length 572 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
1M39.9Very low39.1Very low241 Ų241161.6 Ų161.6100%1.18786%0.858SS**  0104.20-84.2177.4168.500107.1
2E36.3Very low39.5Very low180 Ų180158.3 Ų158.384%0.84185%0.853SS**  trans-97.7122.9176.5-66.3175.3179.500107.7
3V42.7Very low39.1Very low129 Ų129163.8 Ų163.878%0.78285%0.854SS**  trans-101.3107.4179-179.10000107.7L5V3-L5 PolarHBondContact O-N 3.31Å
4Q36.4Very low38.9Very low173 Ų173159.7 Ų159.781%0.80884%0.842SS**  trans-63.3121.1174.2-112.898.361.800110.1G6Q4-G6 PolarHBondContact O-N 3.5Å
5L43Very low39.2Very low167 Ų167157.6 Ų157.687%0.87484%0.841SS**  trans-77106.3170.7-74.5163.3000109.7V3 L7V3-L5 PolarHBondContact O-N 3.31Å; L5-L7 PolarHBondContact O-N 3.21Å
6G40.3Very low39.1Very low78 Ų78153.3 Ų153.380%0.80483%0.828SS**  trans-73114175.800000112.3Q4 G8Q4-G6 PolarHBondContact O-N 3.5Å; G6-G8 PolarHBondContact O-N 3.07Å; G6-G8 VanDerWaalsContact O-N 3.11Å
7L42.2Very low39.7Very low173 Ų173156.5 Ų156.591%0.90683%0.832SS**  trans-66.7103.4172.5-76.5160.1000111L5 R9L5-L7 PolarHBondContact O-N 3.21Å; L7-R9 PolarHBondContact O-N 3.06Å
8G35Very low40Very low74 Ų74153.3 Ų153.376%0.76382%0.82SS**  trans-65.8111.5175.700000112.2G6G6-G8 PolarHBondContact O-N 3.07Å; G6-G8 VanDerWaalsContact O-N 3.11Å
9R36.5Very low40.4Very low221 Ų221156.8 Ų156.883%0.83482%0.822SS**PPolyproline II helixtrans-72.7125.8173.2-72.2-174.9173.6-163.9-1.8110.8L7 Y11L7-R9 PolarHBondContact O-N 3.06Å; R9-Y11 PolarHBondContact O-N 3.05Å
10V42Very low40.9Very low140 Ų140156.6 Ų156.685%0.84881%0.809SS**PPolyproline II helixtrans-75117.8169178.60000109.1
11Y35.4Very low41.2Very low202 Ų202151.9 Ų151.979%0.79280%0.799SS**PPolyproline II helixtrans-82.6136.5168.5-79.3-93.1000110.4R9 R13R9-Y11 PolarHBondContact O-N 3.05Å; Y11-R13 PolarHBondContact O-N 3.17Å
12P44.1Very low41.5Very low122 Ų122143.8 Ų143.879%0.79277%0.771SS**PPolyproline II helixtrans-70.2127.8173.728.6-33000110.6
13R34.4Very low42.1Very low230 Ų230141.7 Ų141.787%0.86876%0.759SS**PPolyproline II helixtrans-76136.5176.6-160.5-178-165.5-1796109.8Y11Y11-R13 PolarHBondContact O-N 3.17Å
14P36.1Very low42.6Very low106 Ų106140.3 Ų140.369%0.68874%0.744SS**PPolyproline II helixtrans-63.4149.7177.325.4-34.3000111.7S16P14-S16 PolarHBondContact O-N 3.2Å
15P43.7Very low43.4Very low128 Ų128138 Ų13883%0.83174%0.738SS**  trans-71.6102.9-172.128.3-34.8000111.8K17P15-K17 PolarHBondContact O-N 3.39Å
16S38Very low44.3Very low89 Ų89134.8 Ų134.862%0.62272%0.721SS**  trans-64.4130.7162.852.60000109.4P14 T18P14-S16 PolarHBondContact O-N 3.2Å; S16-T18 PolarHBondContact O-N 3.49Å
17K48.8Very low45.1Very low208 Ų208137.3 Ų137.390%0.90471%0.71SS**  trans-61.593.8-178.8-66.7171.4-178.7172.10110.3P15 Y19P15-K17 PolarHBondContact O-N 3.39Å; K17-Y19 PolarHBondContact O-N 2.98Å
18T44.5Very low45.9Very low99 Ų99134.8 Ų134.861%0.60769%0.693SS**  trans-76.7116.8177.6560000110.3S16 R20S16-T18 PolarHBondContact O-N 3.49Å; T18-R20 PolarHBondContact O-N 3.06Å
19Y49.1Very low46.9Very low219 Ų219134.1 Ų134.186%0.85968%0.677SS**  trans-72.657.8169.8-120.4-93.4000110.2K17K17-Y19 PolarHBondContact O-N 2.98Å
20R49.7Very low48Very low152 Ų152126.9 Ų126.957%0.57466%0.657SS**  trans-95.71-163.4-133.6-175.3-167.8-90.92.3115.4T18 Q24T18-R20 PolarHBondContact O-N 3.06Å; R20-Q24 PolarHBondContact O-NE2 2.92Å
21G46.6Very low48.9Very low58 Ų58127.4 Ų127.460%0.59864%0.644SS**Hα-helixtrans-78.9-44.8-17700000114.5
22A47.4Very low49.9Very low71 Ų71123.7 Ų123.759%0.58763%0.634SS**Hα-helixtrans-77.1-40.3-170.900000113.9
23F48.3Very low50.6Low137 Ų137122.9 Ų122.960%0.60163%0.626SS**Hα-helixtrans-78.4-27.2-174.2-74-80.7000114.1L26 F27F23-L26 PolarHBondContact O-N 3.2Å; F23-F27 WeakPolarHBondContact O-CD2 2.93Å; F23-F27 PolarHBondContact O-N 3.08Å; F23-F27 VanDerWaalsContact O-N 3.08Å
24Q53.6Low51.9Low99 Ų99117.9 Ų117.946%0.46362%0.616SS.*Hα-helixtrans-64.9-41.4176.1-74.7-175.495.200111.4R20 L26 F27 Q28R20-Q24 PolarHBondContact O-NE2 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.15Å; Q24-F27 PolarHBondContact O-N 3.08Å; Q24-Q28 WeakPolarHBondContact O-CB 3.48Å; Q24-Q28 PolarHBondContact O-N 2.91Å
25N53.3Low52.8Low126 Ų126119.9 Ų119.967%0.67462%0.615SS**Hα-helixtrans-59.2-42.7174.1-101.9-69.9000112.5Q28 S29N25-Q28 PolarHBondContact O-N 3.36Å; N25-S29 WeakPolarHBondContact O-CB 3.4Å; N25-S29 PolarHBondContact O-N 3.13Å
26L62Low52.6Low99 Ų99119.2 Ų119.252%0.51861%0.605SS.*Hα-helixtrans-65.5-46179.4-174.164.4000112.1F23 Q24 Q28 S29 V30F23-L26 PolarHBondContact O-N 3.2Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.15Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.21Å; L26-S29 PolarHBondContact O-N 3.18Å; L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 WeakPolarHBondContact O-CB 3.32Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.27Å
27F56.9Low52.9Low130 Ų130120 Ų12057%0.5761%0.608SS**Hα-helixtrans-70.1-29.4178.1-79.4-70.9000113.2F23 Q24 R31F23-F27 WeakPolarHBondContact O-CD2 2.93Å; F23-F27 PolarHBondContact O-N 3.08Å; F23-F27 VanDerWaalsContact O-N 3.08Å; Q24-F27 PolarHBondContact O-N 3.08Å; F27-R31 VanDerWaalsContact O-CG 3.29Å; F27-R31 WeakPolarHBondContact O-CG 2.94Å; F27-R31 PolarHBondContact O-N 3.3Å
28Q58Low52.6Low121 Ų121112.8 Ų112.857%0.56559%0.593SS**Hα-helixtrans-70.7-47.6172.9-144.968.825.400110.8Q24 N25 L26 V30 R31 E32Q24-Q28 WeakPolarHBondContact O-CB 3.48Å; Q24-Q28 PolarHBondContact O-N 2.91Å; N25-Q28 PolarHBondContact O-N 3.36Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.21Å; Q28-V30 PolarHBondContact O-N 3.3Å; Q28-R31 PolarHBondContact O-N 3.44Å; Q28-E32 WeakPolarHBondContact O-CB 3.28Å; Q28-E32 PolarHBondContact O-N 3.04Å
29S56.7Low52.5Low60 Ų60114.3 Ų114.342%0.4260%0.604SS.*Hα-helixtrans-59.8-43.4177.5176.70000112.7N25 L26 E32 V33N25-S29 WeakPolarHBondContact O-CB 3.4Å; N25-S29 PolarHBondContact O-N 3.13Å; L26-S29 PolarHBondContact O-N 3.18Å; S29-E32 PolarHBondContact O-N 2.62Å; S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 2.91Å
30V58.8Low52.1Low69 Ų69115.3 Ų115.342%0.41861%0.607SS.*Hα-helixtrans-66.6-38176.4171.40000111.7L26 Q28 I34L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 WeakPolarHBondContact O-CB 3.32Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.27Å; Q28-V30 PolarHBondContact O-N 3.3Å; V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 WeakPolarHBondContact O-CD1 3.42Å; V30-I34 VanDerWaalsContact O-CG1 3.24Å; V30-I34 WeakPolarHBondContact O-CG1 3.33Å; V30-I34 PolarHBondContact O-N 3.11Å
31R61.7Low51.3Low150 Ų150115.7 Ų115.757%0.56661%0.614SS**Hα-helixtrans-67-39.3173.6-74.8-176.7-159.6-168.27.3112.3F27 Q28 I34 Q35F27-R31 VanDerWaalsContact O-CG 3.29Å; F27-R31 WeakPolarHBondContact O-CG 2.94Å; F27-R31 PolarHBondContact O-N 3.3Å; Q28-R31 PolarHBondContact O-N 3.44Å; R31-I34 PolarHBondContact O-N 3.17Å; R31-Q35 VanDerWaalsContact O-CB 3.31Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.84Å
32E56.1Low50.9Low125 Ų125117.8 Ų117.858%0.58462%0.618SS**Hα-helixtrans-63.6-43.3179.3-171.4170.5-161.900111.5Q28 S29 I34 Q35 N36Q28-E32 WeakPolarHBondContact O-CB 3.28Å; Q28-E32 PolarHBondContact O-N 3.04Å; S29-E32 PolarHBondContact O-N 2.62Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.44Å; E32-Q35 PolarHBondContact O-N 3.05Å; E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 3.24Å
33V58.7Low50.6Low104 Ų104123.4 Ų123.463%0.6363%0.632SS**Hα-helixtrans-65-31.5174.5170.60000113S29S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 2.91Å
34I61.9Low49.9Very low126 Ų126120.3 Ų120.365%0.64663%0.631SS**Hα-helixtrans-84.5-34.1179.6-66.9168.5000112V30 R31 E32V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 WeakPolarHBondContact O-CD1 3.42Å; V30-I34 VanDerWaalsContact O-CG1 3.24Å; V30-I34 WeakPolarHBondContact O-CG1 3.33Å; V30-I34 PolarHBondContact O-N 3.11Å; R31-I34 PolarHBondContact O-N 3.17Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.44Å
35Q54.2Low49.4Very low147 Ų147121 Ų12169%0.68766%0.655SS**Hα-helixtrans-88.6-23.8-178.2-67.6-176.9-2.800113.3R31 E32 P37R31-Q35 VanDerWaalsContact O-CB 3.31Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.84Å; E32-Q35 PolarHBondContact O-N 3.05Å; Q35-P37 VanDerWaalsContact C-CD 3.48Å; Q35-P37 WeakPolarHBondContact O-CD 3.4Å
36N40.1Very low48.8Very low115 Ų115120.5 Ų120.562%0.61566%0.66SS**  trans-114.981.2165.7-72.3-67000109.9E32 G38E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 3.24Å; N36-G38 PolarHBondContact O-N 2.58Å
37P45Very low48Very low104 Ų104120.7 Ų120.768%0.67568%0.676SS**  trans-59.4109.2157.427.6-31.9000107Q35Q35-P37 VanDerWaalsContact C-CD 3.48Å; Q35-P37 WeakPolarHBondContact O-CD 3.4Å
38G42.5Very low47.6Very low57 Ų57118.6 Ų118.659%0.58868%0.683SS**  trans-51.3147.8-177.500000111.4N36 R40N36-G38 PolarHBondContact O-N 2.58Å; G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å
39P42.1Very low47.2Very low131 Ų131117.7 Ų117.785%0.85169%0.688SS**  trans-49.4122.2-171.7-26.833.1000111.3H41P39-H41 PolarHBondContact O-N 3.27Å
40R40.8Very low47.3Very low241 Ų241120.3 Ų120.391%0.90970%0.704SS**  trans-55.1112.1175.1-80.1-92.5169.186.6-2.6107.8G38 P42G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å; R40-P42 VanDerWaalsContact O-CD 3.23Å; R40-P42 WeakPolarHBondContact O-CD 3.47Å; R40-P42 VanDerWaalsContact O-N 3.1Å
41H33.3Very low47.2Very low159 Ų159119.3 Ų119.374%0.73671%0.707SS**  trans-44.7109.4-179.9-178.2-83.2000111.4P39P39-H41 PolarHBondContact O-N 3.27Å
42P36.8Very low47.5Very low103 Ų103115.5 Ų115.567%0.66971%0.707SS**  trans-71.4127.3156.825.7-18.1000106.8R40 A44R40-P42 VanDerWaalsContact O-CD 3.23Å; R40-P42 WeakPolarHBondContact O-CD 3.47Å; R40-P42 VanDerWaalsContact O-N 3.1Å; P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.44Å
43E41.1Very low48.4Very low188 Ų188113.9 Ų113.988%0.87971%0.71SS**  trans-6293.5172.7-173.2-178148.900109.8
44A34.6Very low49.7Very low72 Ų72114.3 Ų114.360%0.59571%0.708SS**  trans-146.9112.7176.300000109.2P42 S46P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.44Å; A44-S46 PolarHBondContact O-N 3.15Å; A44-S46 VanDerWaalsContact O-N 3.07Å
45A43.8Very low50.9Low115 Ų115113.7 Ų113.795%0.9571%0.705SS**  trans-60.6111.7173.200000109.9
46S40.1Very low52.6Low114 Ų114112 Ų11280%0.79770%0.701SS**  trans-142.3114.8172.3-158.20000109.9A44 A48A44-S46 PolarHBondContact O-N 3.15Å; A44-S46 VanDerWaalsContact O-N 3.07Å; S46-A48 PolarHBondContact O-N 3.42Å
47A45.6Very low55Low103 Ų103111.7 Ų111.785%0.85170%0.698SS**  trans-74.4112.5-174.900000111
48A47.8Very low57.2Low87 Ų87112.3 Ų112.372%0.71969%0.692SS**  trans-73140162.500000109.7S46S46-A48 PolarHBondContact O-N 3.42Å
49P50.4Low59.5Low101 Ų101114.7 Ų114.766%0.65669%0.688SS**  trans-70.4133.1-170.426.4-34.3000112.3G51P49-G51 PolarHBondContact O-N 3.32Å
50P57.6Low61.8Low116 Ų116113.6 Ų113.675%0.75367%0.672SS**THydrogen-bonded Turntrans-66.2-12.7-173.824.8-34.3000114.9A52P50-A52 PolarHBondContact O-N 3.26Å
51G56.6Low64.3Low47 Ų47108.4 Ų108.449%0.48566%0.658SS.*Hα-helixtrans-67.4-31.7-178.500000115P49 S53 L54 L55P49-G51 PolarHBondContact O-N 3.32Å; G51-S53 PolarHBondContact O-N 2.89Å; G51-L54 PolarHBondContact O-N 3.35Å; G51-L55 PolarHBondContact O-N 3.47Å
52A67.3Low67.1Low70 Ų70106.7 Ų106.758%0.57965%0.65SS**Hα-helixtrans-66.8-37.9-175.300000112.8P50 L56P50-A52 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.93Å; A52-L56 VanDerWaalsContact O-N 3.15Å
53S76.8Confident69.7Low92 Ų92107.4 Ų107.464%0.64364%0.644SS**Hα-helixtrans-67.5-40.8175.9-172.40000111.6G51 L56 L57G51-S53 PolarHBondContact O-N 2.89Å; S53-L56 PolarHBondContact O-N 3.31Å; S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.26Å
54L84.5Confident72.1Confident112 Ų112104.1 Ų104.159%0.58663%0.629SS**Hα-helixtrans-68.1-40.2-179.6-152.7161.3000111.4G51 L57 Q58G51-L54 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 3.34Å; L54-Q58 WeakPolarHBondContact O-CB 3.39Å; L54-Q58 PolarHBondContact O-N 2.83Å
55L88.1Confident74.9Confident113 Ų113106.6 Ų106.659%0.59263%0.628SS**Hα-helixtrans-64.8-40.9175.1-161.4157.7000111.5G51 Q58 Q59G51-L55 PolarHBondContact O-N 3.47Å; L55-Q58 PolarHBondContact O-N 3.05Å; L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 3.46Å
56L89.8Confident77.2Confident113 Ų113106.8 Ų106.859%0.59261%0.609SS**Hα-helixtrans-66.6-38.5175.4-169.5145.8000112.2A52 S53 Q59 Q60A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.93Å; A52-L56 VanDerWaalsContact O-N 3.15Å; S53-L56 PolarHBondContact O-N 3.31Å; L56-Q59 PolarHBondContact O-N 3.11Å; L56-Q60 WeakPolarHBondContact O-CB 3.37Å; L56-Q60 PolarHBondContact O-N 2.85Å
57L91.2Very high79.7Confident107 Ų107107.2 Ų107.256%0.5660%0.599SS**Hα-helixtrans-65.6-41.4173.9-170.270.8000111.9S53 L54 Q60 Q61S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.26Å; L54-L57 PolarHBondContact O-N 3.34Å; L57-Q60 PolarHBondContact O-N 3.19Å; L57-Q61 PolarHBondContact O-N 3.36Å
58Q90.5Very high81.9Confident118 Ų118108.1 Ų108.155%0.55159%0.585SS**Hα-helixtrans-64.3-43.9175.9-173.7-178.99300111.4L54 L55 Q60 Q61 Q62L54-Q58 WeakPolarHBondContact O-CB 3.39Å; L54-Q58 PolarHBondContact O-N 2.83Å; L55-Q58 PolarHBondContact O-N 3.05Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 2.91Å; Q58-Q61 PolarHBondContact O-N 2.8Å; Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 2.66Å
59Q90.3Very high84.1Confident107 Ų107110 Ų11050%0.558%0.579SS.*Hα-helixtrans-60.1-44.2174.4-168.5-161.4108.400111.4L55 L56 Q61 Q62 Q63L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 3.46Å; L56-Q59 PolarHBondContact O-N 3.11Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q59-Q62 PolarHBondContact O-N 2.93Å; Q59-Q63 PolarHBondContact O-N 3.33Å
60Q91.3Very high86Confident107 Ų107111.1 Ų111.150%0.558%0.576SS.*Hα-helixtrans-61.9-43.2177.1-171.4-173.7108.200111.8L56 L57 Q58 Q63 Q64L56-Q60 WeakPolarHBondContact O-CB 3.37Å; L56-Q60 PolarHBondContact O-N 2.85Å; L57-Q60 PolarHBondContact O-N 3.19Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 2.91Å; Q60-Q63 PolarHBondContact O-N 3.1Å; Q60-Q64 WeakPolarHBondContact O-CB 3.37Å; Q60-Q64 PolarHBondContact O-N 2.98Å
61Q92.3Very high87.6Confident133 Ų133111.1 Ų111.162%0.62157%0.566SS**Hα-helixtrans-62.8-42.2177-171.8-179.988.900111.6L57 Q58 Q59 Q64 Q65L57-Q61 PolarHBondContact O-N 3.36Å; Q58-Q61 PolarHBondContact O-N 2.8Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q61-Q64 PolarHBondContact O-N 3.3Å; Q61-Q65 PolarHBondContact O-N 2.92Å
62Q91.9Very high89.2Confident122 Ų122114.4 Ų114.457%0.5757%0.569SS**Hα-helixtrans-66.8-39.7179.1-161.5176.180.400112.2Q58 Q59 Q65 Q66Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 2.66Å; Q59-Q62 PolarHBondContact O-N 2.93Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q62-Q66 PolarHBondContact O-N 2.95Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å
63Q91.4Very high90.3Very high118 Ų118116.9 Ų116.955%0.55157%0.568SS**Hα-helixtrans-60.6-44.2170.8-106.7-178.149.400112.3Q59 Q60 Q65 Q66 Q67Q59-Q63 PolarHBondContact O-N 3.33Å; Q60-Q63 PolarHBondContact O-N 3.1Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å; Q63-Q65 PolarHBondContact O-N 3.48Å; Q63-Q66 PolarHBondContact O-N 2.97Å; Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.08Å
64Q92.7Very high90.8Very high120 Ų120118 Ų11856%0.56156%0.564SS**Hα-helixtrans-64.5-36.4-179.8-158.1177111.400111.5Q60 Q61 Q67 Q68Q60-Q64 WeakPolarHBondContact O-CB 3.37Å; Q60-Q64 PolarHBondContact O-N 2.98Å; Q61-Q64 PolarHBondContact O-N 3.3Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q64-Q68 PolarHBondContact O-N 2.88Å; Q64-Q68 VanDerWaalsContact O-N 3.1Å
65Q93.1Very high90.9Very high123 Ų123118.4 Ų118.458%0.57556%0.562SS**Hα-helixtrans-69.8-41.3177.9-159.517587.100112.6Q61 Q62 Q63 Q67 Q68 Q69Q61-Q65 PolarHBondContact O-N 2.92Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å; Q63-Q65 PolarHBondContact O-N 3.48Å; Q65-Q67 PolarHBondContact O-N 3.27Å; Q65-Q68 PolarHBondContact O-N 3.32Å; Q65-Q69 PolarHBondContact O-N 3.28Å; Q65-Q69 VanDerWaalsContact O-N 3.1Å
66Q92.3Very high90.8Very high119 Ų119118.5 Ų118.556%0.55656%0.56SS**Hα-helixtrans-61-43.3171.9-76.5-171.410.800112.2Q62 Q63 Q68 Q69 Q70Q62-Q66 PolarHBondContact O-N 2.95Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å; Q63-Q66 PolarHBondContact O-N 2.97Å; Q66-Q68 VanDerWaalsContact C-N 3.25Å; Q66-Q68 PolarHBondContact O-N 2.85Å; Q66-Q69 PolarHBondContact O-N 3.46Å; Q66-Q70 PolarHBondContact O-N 2.98Å
67Q92.1Very high90.5Very high124 Ų124119.1 Ų119.158%0.57956%0.559SS**Hα-helixtrans-65-32.3-179.4-160.5173.39900111.9Q63 Q64 Q65 Q71Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.08Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q65-Q67 PolarHBondContact O-N 3.27Å; Q67-Q71 PolarHBondContact O-N 3Å
68Q92.8Very high89.9Confident121 Ų121119.7 Ų119.757%0.56556%0.559SS**Hα-helixtrans-72.4-37.7175-159.4172.590.700112.5Q64 Q65 Q66 Q71 Q72Q64-Q68 PolarHBondContact O-N 2.88Å; Q64-Q68 VanDerWaalsContact O-N 3.1Å; Q65-Q68 PolarHBondContact O-N 3.32Å; Q66-Q68 VanDerWaalsContact C-N 3.25Å; Q66-Q68 PolarHBondContact O-N 2.85Å; Q68-Q71 PolarHBondContact O-N 3.39Å; Q68-Q72 PolarHBondContact O-N 3.41Å; Q68-Q72 VanDerWaalsContact O-N 3.14Å
69Q92.5Very high89.3Confident126 Ų126120 Ų12059%0.58956%0.561SS**Hα-helixtrans-63.2-42.2171.7-84.4-172.1600112.7Q65 Q66 Q71 Q72 Q73Q65-Q69 PolarHBondContact O-N 3.28Å; Q65-Q69 VanDerWaalsContact O-N 3.1Å; Q66-Q69 PolarHBondContact O-N 3.46Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 3.27Å; Q69-Q72 PolarHBondContact O-N 3.4Å; Q69-Q73 PolarHBondContact O-N 3Å
70Q91.2Very high88.4Confident125 Ų125121.6 Ų121.658%0.58457%0.568SS**Hα-helixtrans-61.7-38.9176.5-75.5-171.97.200112.3Q66 Q73 Q74Q66-Q70 PolarHBondContact O-N 2.98Å; Q70-Q73 PolarHBondContact O-N 3.41Å; Q70-Q74 PolarHBondContact O-N 3.14Å
71Q90.9Very high87Confident117 Ų117123.7 Ų123.755%0.54758%0.578SS.*Hα-helixtrans-65-38.9174.5-75.8-17324.700112.7Q67 Q68 Q69 Q74 Q75Q67-Q71 PolarHBondContact O-N 3Å; Q68-Q71 PolarHBondContact O-N 3.39Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 3.27Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q71-Q75 PolarHBondContact O-N 3.06Å
72Q90.6Very high85.5Confident116 Ų116121.4 Ų121.454%0.54257%0.573SS.*Hα-helixtrans-65.1-41.6174.8-76.3-170.24.200112.3Q68 Q69 Q75 Q76Q68-Q72 PolarHBondContact O-N 3.41Å; Q68-Q72 VanDerWaalsContact O-N 3.14Å; Q69-Q72 PolarHBondContact O-N 3.4Å; Q72-Q75 PolarHBondContact O-N 3.48Å; Q72-Q76 PolarHBondContact O-N 3.42Å
73Q89.3Confident84Confident122 Ų122119.3 Ų119.357%0.5757%0.572SS**Hα-helixtrans-62.8-41.9174.8-76.7-170.93.300112.2Q69 Q70 Q75 Q76 Q77Q69-Q73 PolarHBondContact O-N 3Å; Q70-Q73 PolarHBondContact O-N 3.41Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.33Å; Q73-Q76 PolarHBondContact O-N 3.19Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.81Å
74Q87.9Confident82.5Confident116 Ų116117.2 Ų117.254%0.54257%0.569SS.*Hα-helixtrans-63.7-37.1174.7-78.3-1723.800112.9Q70 Q71 Q78Q70-Q74 PolarHBondContact O-N 3.14Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q74-Q78 WeakPolarHBondContact O-CB 3.37Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å
75Q87.3Confident80.8Confident119 Ų119119 Ų11956%0.55657%0.57SS**Hα-helixtrans-67.9-38.3174-79.6-170.41200112.7Q71 Q72 Q73 Q78 Q79Q71-Q75 PolarHBondContact O-N 3.06Å; Q72-Q75 PolarHBondContact O-N 3.48Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.33Å; Q75-Q78 PolarHBondContact O-N 3.41Å; Q75-Q79 WeakPolarHBondContact O-CG 3.36Å; Q75-Q79 PolarHBondContact O-N 3.32Å
76Q85.7Confident79.3Confident116 Ų116119.5 Ų119.554%0.54257%0.573SS.*Hα-helixtrans-67-40.9175.2-73.5-172.218.900111.9Q72 Q73 Q79 Q80Q72-Q76 PolarHBondContact O-N 3.42Å; Q73-Q76 PolarHBondContact O-N 3.19Å; Q76-Q79 PolarHBondContact O-N 3.42Å; Q76-Q80 WeakPolarHBondContact O-CG 3.41Å; Q76-Q80 PolarHBondContact O-N 3.35Å
77Q82.8Confident77.7Confident125 Ų125120.1 Ų120.158%0.58458%0.575SS**Hα-helixtrans-61.9-46.3173.7-73.9179.99.400111.3Q73 Q79 Q80 E81Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.81Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 2.77Å; Q77-Q80 PolarHBondContact O-N 3.08Å; Q77-E81 WeakPolarHBondContact O-CB 3.29Å; Q77-E81 PolarHBondContact O-N 3.32Å
78Q79.8Confident76.2Confident119 Ų119121.1 Ų121.156%0.55658%0.58SS**Hα-helixtrans-60.9-36.3175.7-77.3177.257.600112.9Q74 Q75 T82Q74-Q78 WeakPolarHBondContact O-CB 3.37Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å; Q75-Q78 PolarHBondContact O-N 3.41Å; Q78-T82 WeakPolarHBondContact O-CB 3.3Å; Q78-T82 VanDerWaalsContact O-CG2 3.28Å; Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.1Å
79Q76.3Confident74.5Confident125 Ų125120.4 Ų120.458%0.58458%0.577SS**Hα-helixtrans-69.7-40.4174.6-75.6177.763.700112.5Q75 Q76 Q77 E81 T82 S83Q75-Q79 WeakPolarHBondContact O-CG 3.36Å; Q75-Q79 PolarHBondContact O-N 3.32Å; Q76-Q79 PolarHBondContact O-N 3.42Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 2.77Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; Q79-T82 PolarHBondContact O-OG1 3.08Å; Q79-S83 WeakPolarHBondContact O-CB 3.23Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 VanDerWaalsContact O-N 3.11Å
80Q72.8Confident72.8Confident141 Ų141121 Ų12166%0.65958%0.579SS**Hα-helixtrans-68.3-29.9175.1-72.7-177.434.900113Q76 Q77 P84Q76-Q80 WeakPolarHBondContact O-CG 3.41Å; Q76-Q80 PolarHBondContact O-N 3.35Å; Q77-Q80 PolarHBondContact O-N 3.08Å; Q80-P84 WeakPolarHBondContact O-CD 3.4Å; Q80-P84 WeakPolarHBondContact O-CG 3.2Å
81E62.1Low70.8Confident151 Ų151122.5 Ų122.571%0.70659%0.587SS**Hα-helixtrans-83.2-36.8177.8-150.3-176.8153.100111.9Q77 Q79 R85Q77-E81 WeakPolarHBondContact O-CB 3.29Å; Q77-E81 PolarHBondContact O-N 3.32Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; E81-R85 WeakPolarHBondContact O-CB 3.46Å
82T59.5Low68.7Low85 Ų85120.1 Ų120.152%0.52159%0.593SS.*Hα-helixtrans-73-36178.648.70000113.4Q78 Q79 R85 Q86Q78-T82 WeakPolarHBondContact O-CB 3.3Å; Q78-T82 VanDerWaalsContact O-CG2 3.28Å; Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.1Å; Q79-T82 PolarHBondContact O-OG1 3.08Å; T82-R85 PolarHBondContact O-N 3.41Å; T82-Q86 VanDerWaalsContact O-CB 3.28Å; T82-Q86 WeakPolarHBondContact O-CB 3.46Å; T82-Q86 PolarHBondContact O-N 3.1Å
83S61Low66.6Low78 Ų78122.6 Ų122.655%0.54561%0.605SS.*Hα-helixtrans-57.4-55.3-177.7-1730000114.4Q79 R85 Q87Q79-S83 WeakPolarHBondContact O-CB 3.23Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 VanDerWaalsContact O-N 3.11Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 3.23Å; S83-Q87 PolarHBondContact O-N 3.12Å
84P59.8Low64.2Low74 Ų74123.4 Ų123.448%0.48161%0.613SS.*Hα-helixtrans-68.9-33.7177.828.5-34.9000112Q80 Q87 Q88Q80-P84 WeakPolarHBondContact O-CD 3.4Å; Q80-P84 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 3.49Å; P84-Q88 WeakPolarHBondContact O-CB 3.37Å; P84-Q88 PolarHBondContact O-N 3.41Å
85R57.4Low61.9Low157 Ų157121.3 Ų121.359%0.59262%0.623SS**Hα-helixtrans-69.5-35.7-177.5-145.5-80.7163.6172.2-3.1111.5E81 T82 S83 Q89E81-R85 WeakPolarHBondContact O-CB 3.46Å; T82-R85 PolarHBondContact O-N 3.41Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 3.23Å; R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.03Å; R85-Q89 VanDerWaalsContact O-N 3.15Å
86Q60.7Low59.9Low133 Ų133120.2 Ų120.262%0.62163%0.628SS**Hα-helixtrans-73.1-33.3174.7-162.5174.459.700112.2T82 Q90T82-Q86 VanDerWaalsContact O-CB 3.28Å; T82-Q86 WeakPolarHBondContact O-CB 3.46Å; T82-Q86 PolarHBondContact O-N 3.1Å; Q86-Q90 PolarHBondContact O-N 3.01Å
87Q59.8Low58Low132 Ų132120.5 Ų120.562%0.61764%0.64SS**Hα-helixtrans-68.8-43.3174.2-128.6177.832.400112.2S83 P84 Q89 Q90 Q91S83-Q87 PolarHBondContact O-N 3.12Å; P84-Q87 PolarHBondContact O-N 3.49Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.41Å; Q87-Q90 PolarHBondContact O-N 3.27Å; Q87-Q91 PolarHBondContact O-N 3.06Å
88Q60.3Low55.9Low145 Ų145122.1 Ų122.168%0.67865%0.648SS**Hα-helixtrans-67.1-31177.3-166.2172.439.500112.2P84 Q91 G92P84-Q88 WeakPolarHBondContact O-CB 3.37Å; P84-Q88 PolarHBondContact O-N 3.41Å; Q88-Q91 PolarHBondContact O-N 3.13Å; Q88-G92 PolarHBondContact O-N 3.28Å; Q88-G92 VanDerWaalsContact O-N 3.17Å
89Q57.9Low53.7Low107 Ų107120.7 Ų120.750%0.566%0.657SS.*Hα-helixtrans-71.6-34.2176.7-160.8160.4-7.200112.2R85 Q87 G92R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.03Å; R85-Q89 VanDerWaalsContact O-N 3.15Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.41Å; Q89-G92 PolarHBondContact O-N 3.26Å
90Q56.2Low52.1Low137 Ų137123 Ų12364%0.6467%0.667SS**Hα-helixtrans-69.1-30.9172.3-72.7175.251.300113.5Q86 Q87 G92Q86-Q90 PolarHBondContact O-N 3.01Å; Q87-Q90 PolarHBondContact O-N 3.27Å; Q90-G92 VanDerWaalsContact C-N 3.32Å
91Q48.7Very low50.4Low158 Ų158127.9 Ų127.974%0.73868%0.679SS**Hα-helixtrans-78.5-15.5173.1-69.2-175.39.400113.4Q87 Q88Q87-Q91 PolarHBondContact O-N 3.06Å; Q88-Q91 PolarHBondContact O-N 3.13Å
92G47.4Very low49.2Very low66 Ų66132.4 Ų132.468%0.6869%0.69SS**SBendtrans-81.9-13.5-177.100000115.3Q88 Q89 Q90Q88-G92 PolarHBondContact O-N 3.28Å; Q88-G92 VanDerWaalsContact O-N 3.17Å; Q89-G92 PolarHBondContact O-N 3.26Å; Q90-G92 VanDerWaalsContact C-N 3.32Å
93E46Very low48.2Very low168 Ų168131 Ų13179%0.78569%0.692SS**SBendtrans-103.8-6.8-174.8-64.2-170115.900114G95E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.08Å
94D38.9Very low47.4Very low139 Ų139133.5 Ų133.574%0.74371%0.706SS**  trans-88.274.2-178.5-154-5.6000112.4S96D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.89Å
95G39.9Very low46.2Very low73 Ų73136.4 Ų136.475%0.75372%0.723SS**  trans-67.581.8172.600000112.4E93E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.08Å
96S44.9Very low45.1Very low95 Ų95132 Ų13266%0.66473%0.726SS**  trans-52.1152.1-176.1-166.30000115.6D94 Q98D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.89Å; S96-Q98 PolarHBondContact OG-N 3.45Å; S96-Q98 VanDerWaalsContact OG-N 3.07Å
97P46Very low43.9Very low122 Ų122136.9 Ų136.979%0.79274%0.741SS**  -123.4108.3126.434.7-29.5000113.7
98Q38.6Very low42.7Very low159 Ų159138.3 Ų138.374%0.74375%0.752SS**  trans41.185.1138.6-162.3-179.57.600118S96S96-Q98 PolarHBondContact OG-N 3.45Å; S96-Q98 VanDerWaalsContact OG-N 3.07Å
99A33.5Very low41.2Very low90 Ų90138.3 Ų138.374%0.74476%0.761SS**  trans-113.9125.5158.600000110.7R101A99-R101 PolarHBondContact O-N 2.92Å
100H43.6Very low40.2Very low173 Ų173140.3 Ų140.380%0.80177%0.774SS**  trans-68.2102.5-178.4-77.959.7000111.6
101R35.7Very low39.1Very low244 Ų244141.3 Ų141.392%0.92178%0.784SS**  trans-98.692.9164.2-79-81.5179.4150.6-1109.5A99 G103A99-R101 PolarHBondContact O-N 2.92Å; R101-G103 PolarHBondContact O-N 3Å
102R36.6Very low38.4Very low246 Ų246142.2 Ų142.293%0.92879%0.789SS**  trans-56.4111.9170.5175.6-172.3-81173.1-8.2109.5
103G39.1Very low37.6Very low54 Ų54147.7 Ų147.756%0.55780%0.797SS**  trans-72.5150169.500000111.5R101 T105R101-G103 PolarHBondContact O-N 3Å; G103-T105 PolarHBondContact O-N 3.2Å
104P44.5Very low36.7Very low132 Ų132148.8 Ų148.886%0.85780%0.801SS**  trans-75.4116169.3-4.421.7000109.5
105T34.3Very low36.1Very low135 Ų135150.5 Ų150.583%0.82881%0.805SS**  trans-57.7135.7166.3-54.90000109.5G103G103-T105 PolarHBondContact O-N 3.2Å
106G34.5Very low36Very low64 Ų64151.9 Ų151.966%0.6680%0.801SS**  trans-72.3169.5-171.500000114.8
107Y34.7Very low35.1Very low235 Ų235153.4 Ų153.492%0.92281%0.811SS**  trans-119.6142.5161-95.1-93.1000109.8
108L35.2Very low34.1Very low163 Ų163156.2 Ų156.285%0.85381%0.814SS**  trans-69133178.5-60.5162.2000109.4
109V30.1Very low34.1Very low144 Ų144153.1 Ų153.187%0.87381%0.808SS**  trans-96.9112.6156.3172.10000105.9
110L36.4Very low33.8Very low149 Ų149157.2 Ų157.278%0.7881%0.811SS**  trans-75.9138167.2-76.3166.9000108.7
111D32.8Very low33Very low159 Ų159154.1 Ų154.185%0.8581%0.81SS**  trans-76.1115.6168.4-170.6-104.7000107.9
112E33.4Very low32.5Very low177 Ų177147.2 Ų147.283%0.82780%0.804SS**  trans-145.395.1166-144.6172.8118.400110.3
113E31.1Very low32.2Very low181 Ų181143.6 Ų143.685%0.84680%0.802SS**  trans0.7122.1149.7-168.3-179.1116.800117.5
114Q27.3Very low31.5Very low190 Ų190149 Ų14989%0.88881%0.813SS**  trans-147.6105.6164.7-1641641900115.8
115Q25.1Very low30.5Very low175 Ų175148.5 Ų148.582%0.81881%0.812SS**  trans-171159.9144.6-95.9-132.4-26.900109.4
116P38.1Very low30.2Very low102 Ų102150.6 Ų150.666%0.66281%0.812SS**  cis-134.5160.9-15.437.8-22.2000114.3
117S27Very low30.6Very low127 Ų127153.1 Ų153.189%0.88882%0.816SS**  trans-180152.7139.928.80000113.4
118Q25.4Very low30.4Very low181 Ų181148.5 Ų148.585%0.84680%0.803SS**  trans-96.9-162.5174-46.5-172.6-800110.4
119P38.9Very low30Very low95 Ų95150.9 Ų150.962%0.61780%0.801SS**  cis-137.2-161.9-1126.50000114.5
120Q25.2Very low29.9Very low175 Ų175147.5 Ų147.582%0.81880%0.795SS**  trans81.7151.4162.2-55.4-174.2-47.100117.1
121S27Very low29.5Very low109 Ų109147 Ų14776%0.76280%0.802SS**  cis-164.4169.9-21.5-96.80000108.9
122A25.1Very low29.5Very low98 Ų98145.6 Ų145.681%0.8180%0.799SS**  trans-66.9153.9-175.100000116.2
123L30.2Very low29.9Very low170 Ų170143.1 Ų143.189%0.8980%0.798SS**  trans-162.3108.9153.8-96150.6000105.9
124E25.1Very low29.7Very low168 Ų168141.8 Ų141.879%0.78579%0.792SS**  91.7139.968.7-161.782.1154.800112.8
125C23.8Very low30.6Very low122 Ų122138.1 Ų138.182%0.82479%0.785SS**  trans8598.7171.1-67.40000121.3
126H28Very low30.7Very low179 Ų179133 Ų13383%0.82978%0.779SS**  trans-69.6160.1143.5-81.1-80.8000111.7
127P43.1Very low30.3Very low116 Ų116132.9 Ų132.975%0.75379%0.787SS**  -111.6-163.989.5-17.137000113.8
128E29.4Very low30.3Very low138 Ų138130.9 Ų130.965%0.64578%0.778SS**  cis-159.8158.7-22.6-129.5-83.869.700107.5
129R28.3Very low30.5Very low214 Ų214128.8 Ų128.881%0.80878%0.777SS**  trans52.5124167.3-49.7-168.4177.5-144.4-10.8119
130G27.2Very low29.9Very low73 Ų73128.5 Ų128.575%0.75378%0.783SS**  cis11012523.700000109.3
131C29Very low30Very low137 Ų137124.5 Ų124.593%0.92678%0.78SS**  cis-143.4162.413.9-65.10000112.1
132V32.9Very low30.2Very low130 Ų130124.7 Ų124.779%0.78878%0.781SS**  trans-86.9165.9164.8-136.10000109.2
133P40Very low30.6Very low125 Ų125130.2 Ų130.281%0.81279%0.787SS**  -140.7153.966.339.7-21.4000117.2
134E28.2Very low30.5Very low153 Ų153126.1 Ų126.172%0.71579%0.785SS**  trans-63.1-175.5152.7-129.4-124.8124.600109.7G136E134-G136 PolarHBondContact OE1-N 3.45Å
135P44.8Very low30.9Very low113 Ų113126.1 Ų126.173%0.73479%0.79SS**  cis-140.4-173.711.643.6-24.8000116.6
136G28.4Very low31.7Very low67 Ų67125.6 Ų125.669%0.69179%0.785SS**  trans155.899.6147.700000116.4E134E134-G136 PolarHBondContact OE1-N 3.45Å
137A28.9Very low31.7Very low101 Ų101125.5 Ų125.584%0.83579%0.785SS**  trans-87.5168.3178.700000114.5
138A28.2Very low30.9Very low85 Ų85128.6 Ų128.670%0.70279%0.789SS**  trans110.3113.7134.100000120.8
139V27.9Very low30.7Very low137 Ų137129.3 Ų129.383%0.8380%0.796SS**  82.8140.7119.6171.70000121.4
140A27.7Very low31.4Very low88 Ų88124.2 Ų124.273%0.72779%0.791SS**  trans70127.2164.300000117.5
141A27.1Very low31.6Very low92 Ų92125.2 Ų125.276%0.7679%0.792SS**  cis90.8151.436.300000114.8
142S30.5Very low32.6Very low112 Ų112124.1 Ų124.178%0.78378%0.784SS**  trans76.9113.6-170.177.40000113.9
143K34.2Very low33.3Very low215 Ų215123 Ų12394%0.93578%0.779SS**  78.6111.869.2-80-175173.8-178.50113.2
144G28.7Very low32.8Very low83 Ų83122.9 Ų122.986%0.85677%0.771SS**  trans167.693.9166.700000114.6
145L32.9Very low33.3Very low169 Ų169123.1 Ų123.189%0.88577%0.773SS**  trans-98.4150.2159.1-88.6171.4000107.8
146P41.4Very low32.8Very low110 Ų110125 Ų12571%0.71478%0.777SS**  -153.316485.439.2-20.3000118
147Q26.9Very low33Very low178 Ų178128.6 Ų128.683%0.83278%0.78SS**  trans53.9132.8154.4-67.3175.5-0.600118.7
148Q26.4Very low33.4Very low181 Ų181128.6 Ų128.685%0.84677%0.774SS**  -173.8156.156.2-164.1171.8-66.800111.2
149L25.7Very low33.6Very low152 Ų152129.3 Ų129.380%0.79678%0.78SS**  trans-76.2172.8170-114.679.6000111.8
150P42.2Very low34.2Very low107 Ų107127.1 Ų127.170%0.69578%0.776SS**  cis-144.3152.215.738.3-16.8000120.4
151A31.8Very low35.2Very low94 Ų94128.2 Ų128.278%0.77778%0.776SS**  trans68.8178.6137.200000120.4
152P49.4Very low35.4Very low115 Ų115128.5 Ų128.575%0.74777%0.772SS**  -127.9-150.5-120.436.5-10.9000111.4
153P47Very low35.7Very low107 Ų107129.2 Ų129.270%0.69577%0.772SS**  cis-113.5-166.5-19.113.514.7000110.6
154D31.1Very low35.7Very low121 Ų121126.3 Ų126.365%0.64777%0.766SS**  177.5152.273.3-113.3-121.6000109.4
155E38.3Very low36Very low159 Ų159126.8 Ų126.874%0.74376%0.756SS**  trans45109.4158.9-38.7-49.967.900119.2
156D34.1Very low36.3Very low152 Ų152126.5 Ų126.581%0.81376%0.755SS**  72.793.777.5-155.9-32.7000113.6
157D33.7Very low36.3Very low142 Ų142130 Ų13076%0.75977%0.766SS**  trans-154.3119.4149.2-150.3-37.8000111.5
158S36.7Very low36.8Very low101 Ų101124.2 Ų124.271%0.70676%0.755SS**  trans45.1153.1148.9-590000124.5
159A32.9Very low37.6Very low100 Ų100121.8 Ų121.883%0.82675%0.754SS**  trans89.4111.3155.400000118.6
160A39Very low38Very low92 Ų92120.9 Ų120.976%0.7676%0.755SS**  trans-62.3175.5155.700000111
161P48.5Very low37.8Very low110 Ų110124.9 Ų124.971%0.71476%0.762SS**  cis-143.8179.714.437.4-15.3000117.5
162S31.1Very low38.4Very low99 Ų99126.4 Ų126.469%0.69276%0.764SS**  trans105.9144.4143.9-48.30000119.8
163T38Very low37.5Very low127 Ų127124.3 Ų124.378%0.77976%0.763SS**  trans93.1116.9154.770.80000120.1
164L34Very low37Very low154 Ų154127.8 Ų127.881%0.80678%0.775SS**  trans82107.1141.5-66.7163.4000120.8
165S34.8Very low37.2Very low92 Ų92127.1 Ų127.164%0.64378%0.78SS**  82.3121.9122.8-62.20000120.7
166L40.1Very low37Very low163 Ų163124.9 Ų124.985%0.85378%0.782SS**  trans53.4102138-66.9164.8000117.7
167L39.7Very low37Very low184 Ų184124 Ų12496%0.96379%0.787SS**  -162.6164.8127.1-102158.9000110.2
168G38.4Very low37.7Very low57 Ų57123.5 Ų123.559%0.58879%0.794SS**  trans-74.9-176.8-166.500000116.3T170G168-T170 PolarHBondContact O-N 2.88Å
169P43.7Very low38.1Very low129 Ų129122.9 Ų122.984%0.83880%0.795SS**PPolyproline II helixtrans-70.9126.6-169.528.5-35.1000113.4
170T33.4Very low38.7Very low133 Ų133122.9 Ų122.982%0.81678%0.781SS**PPolyproline II helixtrans-75.4132.9171.6-50.20000111.2G168G168-T170 PolarHBondContact O-N 2.88Å
171F38.8Very low39.3Very low191 Ų191125.1 Ų125.184%0.83878%0.78SS**PPolyproline II helixtrans-81.7135164.5-75.1-90.4000110.1
172P43.2Very low39.6Very low126 Ų126127.5 Ų127.582%0.81878%0.778SS**PPolyproline II helixtrans-67.6131.2164.4-9.825.4000109.2
173G31.4Very low40.7Very low71 Ų71127.9 Ų127.973%0.73277%0.773SS**PPolyproline II helixtrans-78.5168.4-178.300000113.9
174L36.3Very low41.4Very low181 Ų181127.3 Ų127.395%0.94876%0.764SS**  trans-115.2132.3149.2-73177.6000108.4
175S35.5Very low42.1Very low106 Ų106126.3 Ų126.374%0.74176%0.758SS**  trans-78.8149.1-176.151.30000113
176S34.8Very low42.7Very low112 Ų112124.7 Ų124.778%0.78375%0.747SS**  trans60.397.7148-58.90000119
177C33.4Very low43.3Very low135 Ų135123.8 Ų123.891%0.91274%0.739SS**  -142.5128.4117.2-93.50000108.3
178S49.1Very low43.7Very low130 Ų130118.4 Ų118.491%0.90972%0.721SS**  trans-83.1117.8178.956.20000111.1
179A43.9Very low44.1Very low88 Ų88119.3 Ų119.373%0.72772%0.718SS**  trans-139.9148.9162.600000109.2
180D46.4Very low44.2Very low101 Ų101117.1 Ų117.154%0.5470%0.702SS.*  trans-65.7135.2-166.7-148.2-76.1000112.2K182 D183D180-K182 PolarHBondContact O-N 3.49Å; D180-K182 WeakPolarHBondContact OD1-CD 3.39Å; D180-K182 WeakPolarHBondContact OD1-CG 3.39Å; D180-K182 PolarHBondContact OD1-N 3.43Å; D180-D183 PolarHBondContact O-N 2.87Å
181L50.6Low44.7Very low139 Ų139118 Ų11873%0.72870%0.699SS**Hα-helixtrans-61.3-9.7179.2-90.3163.1000113.8
182K55.8Low45.2Very low159 Ų159116 Ų11669%0.69169%0.693SS**Hα-helixtrans-74.8-33173.8-66.8171.3-174.1166.90112.9D180 L185 S186D180-K182 PolarHBondContact O-N 3.49Å; D180-K182 WeakPolarHBondContact OD1-CD 3.39Å; D180-K182 WeakPolarHBondContact OD1-CG 3.39Å; D180-K182 PolarHBondContact OD1-N 3.43Å; K182-L185 PolarHBondContact O-N 2.93Å; K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.15Å; K182-S186 PolarHBondContact O-OG 2.97Å; K182-S186 VanDerWaalsContact O-OG 3.12Å
183D52.9Low45.1Very low108 Ų108115.6 Ų115.658%0.57868%0.683SS**Hα-helixtrans-71.5-39.2-173.3-131.3-31.8000112D180 L185 S186 E187D180-D183 PolarHBondContact O-N 2.87Å; D183-L185 PolarHBondContact O-N 3Å; D183-S186 VanDerWaalsContact CA-OG 3.29Å; D183-S186 WeakPolarHBondContact CA-OG 3.41Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 VanDerWaalsContact O-N 3.14Å; D183-S186 PolarHBondContact O-OG 3.27Å; D183-E187 PolarHBondContact O-N 3.31Å
184I53.8Low45.6Very low114 Ų114119 Ų11959%0.58568%0.683SS**Hα-helixtrans-62.9-31.4177-57.6174.9000111.4A188I184-A188 PolarHBondContact O-N 3.24Å
185L49.3Very low46Very low133 Ų133119.1 Ų119.170%0.69668%0.679SS**Hα-helixtrans-82.1-27.2176.6-67176.8000112.8K182 D183K182-L185 PolarHBondContact O-N 2.93Å; D183-L185 PolarHBondContact O-N 3Å
186S47.2Very low46.3Very low59 Ų59121 Ų12141%0.41368%0.676SS.*Hα-helixtrans-72.4-41.9169.429.70000112.6K182 D183 A188 S189K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.15Å; K182-S186 PolarHBondContact O-OG 2.97Å; K182-S186 VanDerWaalsContact O-OG 3.12Å; D183-S186 VanDerWaalsContact CA-OG 3.29Å; D183-S186 WeakPolarHBondContact CA-OG 3.41Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 VanDerWaalsContact O-N 3.14Å; D183-S186 PolarHBondContact O-OG 3.27Å; S186-A188 PolarHBondContact O-N 3.15Å; S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.44Å; S186-S189 VanDerWaalsContact O-N 3.14Å
187E52Low46.5Very low143 Ų143124 Ų12467%0.66868%0.678SS**Hα-helixtrans-62.8-43.8-179.9-165.5179164.300111.5D183 S189 T190D183-E187 PolarHBondContact O-N 3.31Å; E187-S189 PolarHBondContact O-N 2.96Å; E187-S189 VanDerWaalsContact O-N 3.17Å; E187-T190 PolarHBondContact O-N 3.22Å; E187-T190 VanDerWaalsContact O-N 3.1Å; E187-T190 PolarHBondContact O-OG1 3.21Å
188A48.3Very low46.7Very low71 Ų71126.5 Ų126.559%0.58768%0.676SS**Hα-helixtrans-60.6-24.3176.100000114.2I184 S186I184-A188 PolarHBondContact O-N 3.24Å; S186-A188 PolarHBondContact O-N 3.15Å
189S46.7Very low46.4Very low76 Ų76128.8 Ų128.853%0.53167%0.673SS.*Hα-helixtrans-76.3-28.1177.4-165.90000112.8S186 E187 M191 Q192 L193S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.44Å; S186-S189 VanDerWaalsContact O-N 3.14Å; E187-S189 PolarHBondContact O-N 2.96Å; E187-S189 VanDerWaalsContact O-N 3.17Å; S189-M191 PolarHBondContact O-N 3Å; S189-Q192 PolarHBondContact O-N 2.99Å; S189-Q192 VanDerWaalsContact O-N 3.12Å; S189-L193 PolarHBondContact O-N 2.77Å
190T45Very low45.8Very low83 Ų83133.3 Ų133.351%0.50968%0.679SS.*Hα-helixtrans-66.7-32.8-174.8650000113.7E187 Q192 L193E187-T190 PolarHBondContact O-N 3.22Å; E187-T190 VanDerWaalsContact O-N 3.1Å; E187-T190 PolarHBondContact O-OG1 3.21Å; T190-Q192 VanDerWaalsContact C-N 3.27Å; T190-Q192 PolarHBondContact O-N 2.96Å; T190-L193 PolarHBondContact O-N 3.43Å
191M45.3Very low45.1Very low152 Ų152133.4 Ų133.475%0.74969%0.693SS**Hα-helixtrans-70.8-20.9175.6-74.1-86.785.100113.3S189S189-M191 PolarHBondContact O-N 3Å
192Q47.6Very low44Very low150 Ų150133.1 Ų133.170%0.70170%0.697SS**Hα-helixtrans-86.5-25.3175.4-165.6167.2-40.400112S189 T190S189-Q192 PolarHBondContact O-N 2.99Å; S189-Q192 VanDerWaalsContact O-N 3.12Å; T190-Q192 VanDerWaalsContact C-N 3.27Å; T190-Q192 PolarHBondContact O-N 2.96Å
193L42.3Very low42.7Very low117 Ų117130.9 Ų130.961%0.61370%0.701SS**Hα-helixtrans-73.6-30.7-177.9-17160.5000113.8S189 T190 Q195 Q196 Q197S189-L193 PolarHBondContact O-N 2.77Å; T190-L193 PolarHBondContact O-N 3.43Å; L193-Q195 PolarHBondContact O-N 2.97Å; L193-Q196 PolarHBondContact O-N 2.85Å; L193-Q197 PolarHBondContact O-N 3.44Å
194L41.7Very low41.6Very low141 Ų141135 Ų13574%0.73872%0.717SS**THydrogen-bonded Turntrans-68.9-20.8179.3-155.6142.9000112.7
195Q43.7Very low40.3Very low184 Ų184133 Ų13386%0.8673%0.725SS**THydrogen-bonded Turntrans-83.7-9.6170.8-165.7125.394.100113L193L193-Q195 PolarHBondContact O-N 2.97Å
196Q43.1Very low39.4Very low147 Ų147133 Ų13369%0.68774%0.736SS**SBendtrans-104.95.5178.1-155.6102.383.300112.8L193L193-Q196 PolarHBondContact O-N 2.85Å
197Q37.8Very low38.6Very low173 Ų173135.6 Ų135.681%0.80875%0.754SS**THydrogen-bonded Turntrans-10344.1177.6-156.1-178.352.100113.6L193L193-Q197 PolarHBondContact O-N 3.44Å
198Q38.8Very low37.8Very low188 Ų188135 Ų13588%0.87977%0.766SS**THydrogen-bonded Turntrans-135.917.3162.4-157.7153.332.700113.3
199Q43.1Very low36.9Very low179 Ų179135 Ų13584%0.83677%0.772SS**SBendtrans-154.349-178.5-153135.745.900114.7
200E29.9Very low36.2Very low183 Ų183142.9 Ų142.986%0.85579%0.79SS**  trans-156.892.9155.5-165.799.4131.300109.8
201A31.4Very low35.6Very low102 Ų102143.2 Ų143.284%0.84380%0.802SS**  trans-145.77217000000109.7
202V28.3Very low35.3Very low134 Ų134147.5 Ų147.581%0.81281%0.81SS**  trans177.3112.1150.7144.40000110.1
203S28.7Very low34.5Very low111 Ų111149.3 Ų149.378%0.77682%0.818SS**  trans160.7126.6152.7-87.10000108.4
204E29Very low34.1Very low194 Ų194148.7 Ų148.791%0.90783%0.829SS**  cis-141.7164.1-3.3-63.6-169.5126.900110
205G26.9Very low33.7Very low73 Ų73148.3 Ų148.375%0.75384%0.839SS**  trans-164.480.3176.300000112.3S207G205-S207 PolarHBondContact O-N 3.33Å
206S31.3Very low33.1Very low133 Ų133143.3 Ų143.393%0.9384%0.836SS**  trans-63.5117.9-177.8-178.20000112.9
207S29.5Very low32.4Very low114 Ų114141 Ų14180%0.79784%0.842SS**  trans-153.9147.615268.70000112.2G205G205-S207 PolarHBondContact O-N 3.33Å
208S35.1Very low32.5Very low131 Ų131138.7 Ų138.792%0.91684%0.843SS**  trans-83.8139.7-173.1173.30000113
209G29.8Very low32.3Very low69 Ų69136.7 Ų136.771%0.71184%0.843SS**  trans177.884.1172.800000119.4
210R32.2Very low31.9Very low242 Ų242133.3 Ų133.391%0.91384%0.839SS**  trans46.7107.1149.4-68.7-177.9173.5177.5-1.3121.8
211A32.3Very low32.2Very low91 Ų91129.7 Ų129.775%0.75283%0.834SS**  44.9120.211700000122.6
212R38.6Very low32.1Very low242 Ų242133.1 Ų133.191%0.91383%0.83SS**  -178.7151.5104.5-98.3176.2-176.8-113.10.5112.9
213E32.3Very low32.1Very low188 Ų188132.6 Ų132.688%0.87982%0.823SS**  trans-80.8154.1177.5-54.5122.310700114.1
214A33.3Very low32.7Very low103 Ų103134.5 Ų134.585%0.85182%0.824SS**  trans-160.3137.3149.100000111.8
215S31.8Very low33Very low134 Ų134135.9 Ų135.994%0.93782%0.823SS**  trans-86.9155.5-175-54.70000114.7
216G31.1Very low33.8Very low78 Ų78141.1 Ų141.180%0.80483%0.832SS**  trans-174.5117.3164.300000112.6
217A29Very low33.9Very low98 Ų98138.2 Ų138.281%0.8182%0.824SS**PPolyproline II helixtrans-86.2157.8-169.500000114.5
218P40.6Very low34.8Very low126 Ų126136.9 Ų136.982%0.81883%0.828SS**PPolyproline II helixtrans-82.4138.9179.633.3-34.7000112.7
219T34.4Very low35.2Very low146 Ų146136.9 Ų136.990%0.89682%0.823SS**PPolyproline II helixtrans-84.6119.4172.852.70000111
220S34.3Very low35.9Very low108 Ų108138.5 Ų138.576%0.75582%0.823SS**PPolyproline II helixtrans-92.1155.4-176.8640000113.7
221S36Very low37.1Very low107 Ų107134.5 Ų134.575%0.74883%0.826SS**  trans61116.7143.2-161.70000119.9
222K30Very low38.3Very low174 Ų174134.4 Ų134.476%0.75781%0.812SS**  -160.6139.4109.8-114.4-169.2144.373.80114
223D27.8Very low40Very low122 Ų122126.5 Ų126.565%0.65279%0.794SS**  trans63.393.6146.2-51.2-22.4000120.5
224N40.9Very low42.1Very low152 Ų152122.7 Ų122.781%0.81378%0.779SS**  trans-55.2171.4136.4-111.9-72.1000111.7
225Y36Very low44.1Very low222 Ų222123.2 Ų123.287%0.87177%0.768SS**  trans86.884.4179.7-61.6-81.3000116.8
226L42.5Very low46.4Very low183 Ų183118.2 Ų118.296%0.95873%0.734SS**SBend-166.5134.2119.3-98.6174.4000109.9
227G34.7Very low48.6Very low73 Ų73119.2 Ų119.275%0.75372%0.716SS**  trans79.163.8161.600000118.1T229G227-T229 PolarHBondContact O-N 3.44Å
228G47.4Very low51.3Low85 Ų85120.2 Ų120.288%0.87670%0.704SS**  trans-71.8116.217100000113.3
229T43.1Very low53.3Low132 Ų132119.1 Ų119.181%0.8169%0.691SS**  trans-129112.7160.852.40000111.5G227G227-T229 PolarHBondContact O-N 3.44Å
230S46.1Very low55.4Low102 Ų102116 Ų11671%0.71367%0.674SS**  trans66.6114.5163.1-57.60000118.6I232S230-I232 PolarHBondContact O-N 2.9Å
231T57.3Low57.6Low159 Ų159114.7 Ų114.798%0.97566%0.655SS**  trans-70.541.7163.656.20000112.4
232I56.5Low59.8Low89 Ų89112.1 Ų112.146%0.45664%0.64SS.*  trans-87.6127.1-179.4-123.7177.2000108.4S230 A236 K237S230-I232 PolarHBondContact O-N 2.9Å; I232-A236 HydrophobicContact CB-CB 4.45Å; I232-A236 HydrophobicContact CD1-CB 4.06Å; I232-A236 HydrophobicContact CG1-CB 3.77Å; I232-A236 HydrophobicContact CG2-CB 4.21Å; I232-K237 HydrophobicContact CG2-CD 4.36Å; I232-K237 HydrophobicContact CG2-CG 3.5Å; I232-K237 WeakPolarHBondContact O-CE 3.35Å
233S74.8Confident62.2Low76 Ų76107.7 Ų107.753%0.53163%0.628SS.*  trans-62.3152.3177.857.50000110.6N235 A236 K237S233-N235 PolarHBondContact O-N 2.97Å; S233-N235 VanDerWaalsContact O-N 3.17Å; S233-A236 WeakPolarHBondContact O-CA 3.41Å; S233-A236 WeakPolarHBondContact O-CB 3.4Å; S233-A236 PolarHBondContact O-N 3.3Å; S233-K237 PolarHBondContact O-N 3.49Å
234D76Confident64.7Low108 Ų108103.5 Ų103.558%0.57861%0.608SS**Hα-helixtrans-61.7-30.6-174.7-56.2-65.9000112.6A236 K237 E238D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.29Å; D234-K237 WeakPolarHBondContact O-CB 3.24Å; D234-K237 PolarHBondContact O-N 3.14Å; D234-K237 VanDerWaalsContact O-N 3.07Å; D234-K237 WeakPolarHBondContact OD1-CE 3.36Å; D234-K237 IonicContact OD1-NZ 2.7Å; D234-K237 PolarHBondContact OD1-NZ 3.45Å; D234-E238 PolarHBondContact O-N 3.02Å
235N76.7Confident66.3Low114 Ų114100.7 Ų100.761%0.6160%0.596SS**Hα-helixtrans-57.7-39.1169.2-172.323.7000113S233 K237 E238 L239S233-N235 PolarHBondContact O-N 2.97Å; S233-N235 VanDerWaalsContact O-N 3.17Å; N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 3.19Å; N235-E238 PolarHBondContact O-N 3.32Å; N235-L239 WeakPolarHBondContact O-CB 3.31Å; N235-L239 VanDerWaalsContact O-CG 3.3Å; N235-L239 WeakPolarHBondContact O-CG 3.49Å; N235-L239 PolarHBondContact O-N 2.88Å
236A78.2Confident68.3Low28 Ų2895 Ų9523%0.23159%0.589CS.*Hα-helixtrans-70.9-27.3176.300000112.6I232 S233 D234 C240I232-A236 HydrophobicContact CB-CB 4.45Å; I232-A236 HydrophobicContact CD1-CB 4.06Å; I232-A236 HydrophobicContact CG1-CB 3.77Å; I232-A236 HydrophobicContact CG2-CB 4.21Å; S233-A236 WeakPolarHBondContact O-CA 3.41Å; S233-A236 WeakPolarHBondContact O-CB 3.4Å; S233-A236 PolarHBondContact O-N 3.3Å; D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.29Å; A236-C240 WeakPolarHBondContact O-CB 3.44Å; A236-C240 PolarHBondContact O-N 3.43Å; A236-C240 VanDerWaalsContact O-N 3.09Å
237K78.1Confident69.5Low100 Ų10092.8 Ų92.844%0.43558%0.575SS.*Hα-helixtrans-68.7-47.5172.1-55.8175.2-170161.40110.5I232 S233 D234 N235 L239 C240 K241I232-K237 HydrophobicContact CG2-CD 4.36Å; I232-K237 HydrophobicContact CG2-CG 3.5Å; I232-K237 WeakPolarHBondContact O-CE 3.35Å; S233-K237 PolarHBondContact O-N 3.49Å; D234-K237 WeakPolarHBondContact O-CB 3.24Å; D234-K237 PolarHBondContact O-N 3.14Å; D234-K237 VanDerWaalsContact O-N 3.07Å; D234-K237 WeakPolarHBondContact OD1-CE 3.36Å; D234-K237 IonicContact OD1-NZ 2.7Å; D234-K237 PolarHBondContact OD1-NZ 3.45Å; N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 3.19Å; K237-L239 PolarHBondContact O-N 3.19Å; K237-C240 WeakPolarHBondContact O-CB 3.5Å; K237-C240 PolarHBondContact O-N 3.26Å; K237-C240 VanDerWaalsContact O-N 3.13Å; K237-K241 PolarHBondContact O-N 3.3Å
238E84.8Confident71.1Confident118 Ų11892.4 Ų92.455%0.55157%0.572SS**Hα-helixtrans-62.7-41.8177.4-69.5-53.4120.100112.5D234 N235 C240 K241 A242D234-E238 PolarHBondContact O-N 3.02Å; N235-E238 PolarHBondContact O-N 3.32Å; E238-C240 VanDerWaalsContact C-N 3.32Å; E238-C240 PolarHBondContact O-N 3.49Å; E238-K241 PolarHBondContact O-N 2.83Å; E238-A242 WeakPolarHBondContact O-CB 3.36Å; E238-A242 PolarHBondContact O-N 3.49Å
239L83.8Confident72.1Confident104 Ų10493.3 Ų93.355%0.54556%0.556SS.*Hα-helixtrans-61.3-39.8172.4-71.7172000112.1N235 K237 V243N235-L239 WeakPolarHBondContact O-CB 3.31Å; N235-L239 VanDerWaalsContact O-CG 3.3Å; N235-L239 WeakPolarHBondContact O-CG 3.49Å; N235-L239 PolarHBondContact O-N 2.88Å; K237-L239 PolarHBondContact O-N 3.19Å; L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 VanDerWaalsContact O-CG2 3.25Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 2.98Å
240C78.6Confident72.6Confident80 Ų8089.8 Ų89.854%0.54155%0.545SS..Hα-helixtrans-68.5-37.8176.6-157.30000112.1A236 K237 E238 S244A236-C240 WeakPolarHBondContact O-CB 3.44Å; A236-C240 PolarHBondContact O-N 3.43Å; A236-C240 VanDerWaalsContact O-N 3.09Å; K237-C240 WeakPolarHBondContact O-CB 3.5Å; K237-C240 PolarHBondContact O-N 3.26Å; K237-C240 VanDerWaalsContact O-N 3.13Å; E238-C240 VanDerWaalsContact C-N 3.32Å; E238-C240 PolarHBondContact O-N 3.49Å; C240-S244 WeakPolarHBondContact O-CB 3.38Å; C240-S244 PolarHBondContact O-N 3.47Å; C240-S244 PolarHBondContact O-OG 3.35Å
241K81.3Confident73.1Confident80 Ų8086 Ų8635%0.34852%0.518SS..Hα-helixtrans-62.9-49173.7-159.6172.9-172.71770110.4K237 E238 V243 S244 V245 V251 E255K237-K241 PolarHBondContact O-N 3.3Å; E238-K241 PolarHBondContact O-N 2.83Å; K241-V243 PolarHBondContact O-N 3.29Å; K241-S244 WeakPolarHBondContact O-CB 3.44Å; K241-S244 PolarHBondContact O-N 2.94Å; K241-V245 WeakPolarHBondContact O-CG2 3.47Å; K241-V245 PolarHBondContact O-N 3.48Å; K241-V251 HydrophobicContact CD-CG1 4.43Å; K241-V251 VanDerWaalsContact CE-CG1 3.44Å; K241-V251 HydrophobicContact CG-CG1 4.15Å; K241-E255 IonicContact NZ-OE1 2.68Å; K241-E255 PolarHBondContact NZ-OE1 3.16Å
242A81.9Confident73Confident53 Ų5385.6 Ų85.644%0.43851%0.505SS..Hα-helixtrans-63-38.817800000113.6E238 S246E238-A242 WeakPolarHBondContact O-CB 3.36Å; E238-A242 PolarHBondContact O-N 3.49Å; A242-S246 WeakPolarHBondContact O-CB 3.35Å; A242-S246 PolarHBondContact O-N 2.9Å; A242-S246 PolarHBondContact O-OG 3.37Å
243V79.4Confident72.6Confident82 Ų8285 Ų8550%0.49751%0.513SS..Hα-helixtrans-66.7-39.9173.71690000111.1L239 K241 S246 M247L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 VanDerWaalsContact O-CG2 3.25Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 2.98Å; K241-V243 PolarHBondContact O-N 3.29Å; V243-S246 WeakPolarHBondContact O-CB 3.25Å; V243-S246 PolarHBondContact O-N 3.37Å; V243-M247 HydrophobicContact CG1-SD 4.1Å; V243-M247 WeakPolarHBondContact O-CG 3.42Å; V243-M247 PolarHBondContact O-N 3.15Å
244S80.3Confident71.4Confident33 Ų3387.7 Ų87.723%0.23152%0.521CS..Hα-helixtrans-63.3-46177.5-58.70000111.9C240 K241 S246 M247 G248 L249C240-S244 WeakPolarHBondContact O-CB 3.38Å; C240-S244 PolarHBondContact O-N 3.47Å; C240-S244 PolarHBondContact O-OG 3.35Å; K241-S244 WeakPolarHBondContact O-CB 3.44Å; K241-S244 PolarHBondContact O-N 2.94Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.86Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 VanDerWaalsContact O-N 3.15Å; S244-G248 PolarHBondContact O-N 2.95Å; S244-L249 PolarHBondContact O-N 3.45Å
245V74.8Confident70Confident94 Ų9489 Ų8957%0.5752%0.524SS*.Hα-helixtrans-57.6-45.4171.5175.80000110.8K241 M247 G248 V251K241-V245 WeakPolarHBondContact O-CG2 3.47Å; K241-V245 PolarHBondContact O-N 3.48Å; V245-M247 PolarHBondContact O-N 2.96Å; V245-G248 PolarHBondContact O-N 2.86Å; V245-V251 HydrophobicContact CG2-CB 4.49Å; V245-V251 HydrophobicContact CG2-CG2 3.55Å
246S77.6Confident68.3Low103 Ų10391.4 Ų91.472%0.7253%0.531SS*.Hα-helixtrans-65-22.8179.5-60.20000113.9A242 V243 S244A242-S246 WeakPolarHBondContact O-CB 3.35Å; A242-S246 PolarHBondContact O-N 2.9Å; A242-S246 PolarHBondContact O-OG 3.37Å; V243-S246 WeakPolarHBondContact O-CB 3.25Å; V243-S246 PolarHBondContact O-N 3.37Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.86Å
247M69.4Low66.3Low135 Ų13597.1 Ų97.167%0.66556%0.556SS**THydrogen-bonded Turntrans-91-0.7174.6-71.2-176.563.700113.4V243 S244 V245 L249V243-M247 HydrophobicContact CG1-SD 4.1Å; V243-M247 WeakPolarHBondContact O-CG 3.42Å; V243-M247 PolarHBondContact O-N 3.15Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 VanDerWaalsContact O-N 3.15Å; V245-M247 PolarHBondContact O-N 2.96Å; M247-L249 HydrophobicContact CB-CD1 4.36Å; M247-L249 HydrophobicContact CB-CG 4.13Å; M247-L249 PolarHBondContact O-N 2.76Å
248G68.1Low64.1Low66 Ų6697.4 Ų97.468%0.6857%0.571SS**THydrogen-bonded Turntrans70.417.5-17600000113.8S244 V245 G250S244-G248 PolarHBondContact O-N 2.95Å; V245-G248 PolarHBondContact O-N 2.86Å; G248-G250 PolarHBondContact O-N 3.18Å
249L66.7Low62.2Low104 Ų10498.1 Ų98.155%0.54559%0.586SS.*  trans-80.1101.1171.5-59.1177.9000107.1S244 M247 V251S244-L249 PolarHBondContact O-N 3.45Å; M247-L249 HydrophobicContact CB-CD1 4.36Å; M247-L249 HydrophobicContact CB-CG 4.13Å; M247-L249 PolarHBondContact O-N 2.76Å; L249-V251 PolarHBondContact O-N 2.85Å
250G54.6Low60.4Low57 Ų5796.4 Ų96.459%0.58859%0.593SS**  trans-54.6120.5-173.400000112.3G248 E252G248-G250 PolarHBondContact O-N 3.18Å; G250-E252 VanDerWaalsContact C-N 3.29Å
251V56Low58.5Low22 Ų22101.9 Ų101.913%0.13361%0.611CS.*G310 helixtrans-80.2-17.7-176.8176.50000111.4K241 V245 L249 A253 L254K241-V251 HydrophobicContact CD-CG1 4.43Å; K241-V251 VanDerWaalsContact CE-CG1 3.44Å; K241-V251 HydrophobicContact CG-CG1 4.15Å; V245-V251 HydrophobicContact CG2-CB 4.49Å; V245-V251 HydrophobicContact CG2-CG2 3.55Å; L249-V251 PolarHBondContact O-N 2.85Å; V251-A253 PolarHBondContact O-N 2.95Å; V251-L254 PolarHBondContact O-N 2.88Å
252E55.4Low56.6Low152 Ų152106.8 Ų106.871%0.7164%0.635SS**G310 helixtrans-52.8-20174.6-22.1-51.5108.100114.2G250G250-E252 VanDerWaalsContact C-N 3.29Å
253A48.6Very low55.1Low75 Ų75112.9 Ų112.962%0.6266%0.659SS**G310 helixtrans-82.6-13.8178.100000114.4V251V251-A253 PolarHBondContact O-N 2.95Å
254L48.5Very low52.8Low134 Ų134119.6 Ų119.670%0.70268%0.676SS**THydrogen-bonded Turntrans-96.6-19-174.6-168.257.5000113.6V251V251-L254 PolarHBondContact O-N 2.88Å
255E48Very low51.3Low136 Ų136121.1 Ų121.164%0.63670%0.697SS**SBendtrans-94.60.2-177.9-65-179.5-176.500113.3K241K241-E255 IonicContact NZ-OE1 2.68Å; K241-E255 PolarHBondContact NZ-OE1 3.16Å
256H39.8Very low49.5Very low164 Ų164123.3 Ų123.376%0.75971%0.705SS**  trans-112.12.9179.1-81.6-76.2000115.7S258H256-S258 VanDerWaalsContact C-N 3.34Å; H256-S258 PolarHBondContact O-N 3.47Å
257L36.4Very low47.5Very low147 Ų147124.6 Ų124.677%0.7771%0.713SS**  trans-82.881.3173.4-67.3-179.2000111
258S32.1Very low46.7Very low106 Ų106126.3 Ų126.374%0.74172%0.721SS**  trans-58.5140.7166.7-157.10000110.3H256 G260H256-S258 VanDerWaalsContact C-N 3.34Å; H256-S258 PolarHBondContact O-N 3.47Å; S258-G260 PolarHBondContact O-N 2.96Å
259P44.7Very low45Very low134 Ų134134 Ų13487%0.8773%0.731SS**SBendtrans-77.494.1-170.230.5-35.4000112.2
260G46.9Very low43.4Very low67 Ų67133.2 Ų133.269%0.69174%0.74SS**  trans157.373.4168.400000116.2S258S258-G260 PolarHBondContact O-N 2.96Å
261E39.2Very low42.9Very low196 Ų196136.6 Ų136.692%0.91675%0.752SS**  trans-143.6126.5149-160.177.4-143.600107.9
262Q39.7Very low42.1Very low183 Ų183143.4 Ų143.486%0.85579%0.787SS**  trans-81143.5-164.8-175.8168.9-28.700112.2R264Q262-R264 PolarHBondContact O-N 2.97Å
263L50.8Low41.3Very low181 Ų181144.6 Ų144.695%0.94880%0.797SS**  trans-44.4105.7174.9-70163000112.7
264R31.5Very low40.5Very low222 Ų222144.8 Ų144.884%0.83881%0.806SS**  trans-126.194.4157.1-163.8172.9-170.5173.75.3108.5Q262 D266Q262-R264 PolarHBondContact O-N 2.97Å; R264-D266 PolarHBondContact O-N 3.42Å
265G49.7Very low39.8Very low66 Ų66145 Ų14568%0.6881%0.812SS**  trans-70.5127.717500000110.2
266D36.5Very low39.3Very low139 Ų139143.8 Ų143.874%0.74382%0.816SS**  trans-16160.2165.4-88.6-40.8000109R264 M268R264-D266 PolarHBondContact O-N 3.42Å; D266-M268 PolarHBondContact O-N 3.49Å
267C36Very low39.3Very low131 Ų131142.3 Ų142.389%0.88582%0.822SS**  trans-82.359.7178.544.10000112.9
268M51Low39Very low170 Ų170139.7 Ų139.784%0.83782%0.821SS**  trans-143.770.4169.5-84.8-66.7-74.300111.6D266D266-M268 PolarHBondContact O-N 3.49Å
269Y32.5Very low39.1Very low227 Ų227141.4 Ų141.489%0.8983%0.827SS**  trans-170.2139.5144.6-120-84.4000110.6
270A34.7Very low38.6Very low88 Ų88145.7 Ų145.773%0.72783%0.826SS**  trans-117.6113.4173.800000110.2L272A270-L272 PolarHBondContact O-N 3.31Å
271P42.2Very low38Very low128 Ų128148.6 Ų148.683%0.83183%0.832SS**  trans-84.894.7170.9-12.230.1000111.2
272L39Very low37.5Very low166 Ų166145.1 Ų145.187%0.86983%0.825SS**  trans-86.795.8159.8-92.3170.8000109.3A270A270-L272 PolarHBondContact O-N 3.31Å
273L39Very low37.2Very low176 Ų176142.3 Ų142.392%0.92182%0.822SS**  trans-147.7120.3155.2-76.2-175.4000109.2
274G32.7Very low36.1Very low79 Ų79140 Ų14081%0.81482%0.82SS**  trans-100.5138.9179.200000112.8
275V32.7Very low36Very low138 Ų138133.9 Ų133.984%0.83682%0.816SS**  trans-145.1148.1173.1170.90000106.4
276P38.6Very low35.4Very low111 Ų111137 Ų13772%0.72183%0.825SS**  trans-87.2173.8-144.535.1-37.2000115.9
277P39.8Very low35Very low134 Ų134138.2 Ų138.287%0.8783%0.83SS**  trans-81.6131.3-165.131.8-34.8000113.5
278A30.9Very low34.9Very low92 Ų92136.4 Ų136.476%0.7683%0.825SS**  trans-123111168.900000110.9
279V33.9Very low34.1Very low141 Ų141137.1 Ų137.186%0.85583%0.826SS**  trans46.5124.3144.7-166.40000119.4
280R34.1Very low33.9Very low225 Ų225132.8 Ų132.885%0.84983%0.828SS**  trans-56.7141.7173.1-66.7174.3167.5165.6-5.5112.9
281P33.1Very low33.9Very low127 Ų127138.7 Ų138.783%0.82584%0.837SS**  trans-73136.9163.631.3-32.4000110.6
282T29.4Very low33.3Very low124 Ų124136.4 Ų136.476%0.76184%0.836SS**  trans-117.3137.1165.6-58.90000106.6
283P33.5Very low32.8Very low124 Ų124134.6 Ų134.681%0.80584%0.838SS**  trans-72.1146.4-164.427.7-35.6000113.3
284C27.2Very low32.3Very low133 Ų133133.6 Ų133.690%0.89983%0.833SS**  trans-80.6146.6176.2-66.80000112.5
285A28.7Very low32.4Very low92 Ų92137.1 Ų137.176%0.7683%0.832SS**  trans-120.2157.8155.600000108
286P39Very low32.2Very low133 Ų133137.9 Ų137.986%0.86483%0.831SS**PPolyproline II helixtrans-83.2156.9-139.429.9-36.6000116.6
287L27.7Very low31.8Very low163 Ų163138.8 Ų138.885%0.85383%0.83SS**PPolyproline II helixtrans-89122.4-174.1-158156.8000110
288A33.3Very low31.4Very low93 Ų93136.8 Ų136.877%0.76982%0.819SS**PPolyproline II helixtrans-84.6137.917100000110.7
289E33.9Very low31.4Very low185 Ų185136.9 Ų136.986%0.86482%0.82SS**PPolyproline II helixtrans-67136.9-168-56163.8123.100113.2
290C28.3Very low31.2Very low137 Ų137133.9 Ų133.993%0.92682%0.818SS**  trans-145.6112.1154.9-98.50000110.8
291K34.6Very low31.2Very low211 Ų211132.3 Ų132.392%0.91782%0.817SS**  trans-81.6144.3173.1-79.2176.3172.4173.30110.9
292G30.3Very low30.9Very low80 Ų80131 Ų13183%0.82581%0.811SS**  trans84.3105.8137.100000117.4
293S28.6Very low31.2Very low129 Ų129129.6 Ų129.690%0.90280%0.803SS**  trans-95128.3159.3-510000109.6
294L28.7Very low31.2Very low155 Ų155131.5 Ų131.581%0.81280%0.8SS**  trans-145.4112.2167.5-167.987000110.4
295L33.8Very low31.4Very low153 Ų153131.1 Ų131.180%0.80179%0.79SS**  trans52.4116.4148.4-68.2173.4000121.2
296D28.5Very low31.6Very low153 Ų153132.2 Ų132.282%0.81879%0.787SS**  108.2148.7116.9-153.4-141.8000121
297D30.8Very low31.3Very low130 Ų130129.4 Ų129.470%0.69578%0.775SS**  trans82.4141.3160.5-147.4-123.8000123.6
298S30.1Very low31.4Very low92 Ų92130.2 Ų130.264%0.64377%0.774SS**  trans-20.5170.4167.979.60000120.2
299A32.6Very low31.1Very low94 Ų94136.3 Ų136.378%0.77778%0.779SS**  cis173.4134.9-25.600000106.2
300G29.2Very low31.1Very low79 Ų79131.9 Ų131.981%0.81477%0.768SS**  trans80.8167.9175.400000115.2
301K33.2Very low32.4Very low192 Ų192130.3 Ų130.384%0.83576%0.756SS**  cis-166.4127-5.9165.6174.1171.4-179.90109.2
302S27.5Very low32.2Very low98 Ų98129 Ų12969%0.68575%0.751SS**  trans54.5175.9167.569.40000115.4
303T35.4Very low32.5Very low96 Ų96135 Ų13559%0.58975%0.754SS**  cis-154.6153.98.5-300000108.9
304E33.7Very low32.6Very low163 Ų163131.7 Ų131.776%0.76274%0.741SS**  trans49.8168.2152.672.9-148.2126.600119.2
305D32.4Very low32.7Very low126 Ų126127.4 Ų127.467%0.67474%0.735SS**  cis-151.6124.14.8-155-134.3000105.5
306T32.6Very low32.7Very low114 Ų114130.6 Ų130.670%0.69974%0.737SS**  94.7150.593.3-76.20000115.5
307A32.1Very low33.3Very low74 Ų74129.7 Ų129.761%0.61274%0.738SS**  trans65106.1169.600000117
308E30Very low33.6Very low180 Ų180133.9 Ų133.984%0.84175%0.75SS**  77.8115.878.9-72.7173.1176.500112.7
309Y26.5Very low33.6Very low222 Ų222132.4 Ų132.487%0.87175%0.749SS**  56.6132.196.7-98.9-111000113.2
310S34.5Very low33.9Very low91 Ų91135 Ų13564%0.63675%0.749SS**  cis-168.9-158.86.2-131.90000109.3
311P55.8Low33.9Very low104 Ų104139.6 Ų139.668%0.67575%0.749SS**  trans-115.3-167.2-152.432-9.9000116.1
312F29.8Very low33.9Very low185 Ų185133.5 Ų133.581%0.81174%0.742SS**  trans99115.7161.8-77.4-79.5000121.5
313K37.4Very low34.2Very low204 Ų204138.2 Ų138.289%0.88775%0.753SS**  82.1124.7119.2-156.9177.4-171-179.30121.9
314G30Very low34Very low61 Ų61139.2 Ų139.263%0.62976%0.764SS**  trans129.5132.3143.400000118.9
315G31.7Very low34.2Very low65 Ų65139.7 Ų139.767%0.6777%0.771SS**  trans91.1168.4154.100000119.9
316Y33.1Very low34Very low219 Ų219137 Ų13786%0.85977%0.773SS**  cis-152125.9-17.5-61.4-74.6000113.2
317T40.2Very low33.8Very low135 Ų135138.4 Ų138.483%0.82879%0.785SS**  trans13125.8153.156.60000124.8
318K37.1Very low34.4Very low217 Ų217140.8 Ų140.894%0.94380%0.797SS**  -174.6169125.4-105.3178.6177.8-177.60109.9
319G31.3Very low34.6Very low62 Ų62135.8 Ų135.864%0.63980%0.795SS**  cis161.4154.9-7.800000112.4
320L38Very low34.9Very low147 Ų147131.5 Ų131.577%0.7780%0.797SS**  trans71.3111.9-178.2-53175000114.3
321E29.7Very low35.1Very low176 Ų176131.8 Ų131.882%0.82281%0.805SS**  74.2135.98697.7-158.7153.200113.6
322G32.9Very low34.3Very low65 Ų65131.7 Ų131.767%0.6781%0.813SS**  cis-169.7-178.3-5.900000110
323E34.9Very low34.6Very low197 Ų197127.8 Ų127.892%0.92182%0.815SS**  trans86.397.5-177.1-55178.183.500115.7
324S31.6Very low34.5Very low117 Ų117121.9 Ų121.982%0.81881%0.812SS**  57.6118.287.1-78.10000114
325L36.8Very low34.5Very low173 Ų173125.2 Ų125.291%0.90683%0.826SS**  cis-137.5157.444.6-71.4162.8000114.6
326G28.7Very low34.8Very low70 Ų70127.2 Ų127.272%0.72283%0.829SS**  trans-75.3-176.7170.300000114
327C28.3Very low34.8Very low142 Ų142120.4 Ų120.496%0.95983%0.826SS**  cis-139.8162.139.1-67.40000114.8
328S44.4Very low34.4Very low124 Ų124119.7 Ų119.787%0.86782%0.821SS**  trans-141.5138.3169.6-174.10000111
329G33.5Very low34.3Very low76 Ų76117.4 Ų117.478%0.78482%0.819SS**  trans72.7134.4153.700000120.1
330S33Very low34.1Very low131 Ų131123.1 Ų123.192%0.91683%0.829SS**  -170.4154.9116.2-165.40000111.6
331A39.6Very low34.1Very low97 Ų97123 Ų12380%0.80283%0.828SS**  trans-126149.217700000111.3
332A38.3Very low34.7Very low103 Ų103120 Ų12085%0.85182%0.824SS**  trans-172.8150167.400000107.6
333A36Very low34.8Very low103 Ų103121.7 Ų121.785%0.85183%0.825SS**  cis-153.8166.1-12.500000107.8
334G34.6Very low34.8Very low80 Ų80118.7 Ų118.783%0.82582%0.821SS**  trans-96.8163.5179.600000114.5
335S30.8Very low35.1Very low131 Ų131121.3 Ų121.392%0.91682%0.824SS**  trans-156.6151.5159.6-1710000110.7
336S38.7Very low35.2Very low106 Ų106117.9 Ų117.974%0.74182%0.815SS**  trans-106155.9-169.7-172.80000112.9
337G32Very low35.6Very low77 Ų77122 Ų12279%0.79482%0.82SS**  trans-148.2133.3168.400000109.8
338T33Very low35.6Very low119 Ų119124.4 Ų124.473%0.7381%0.81SS**  trans-128.9163.5-167.7-59.60000110.8
339L33.6Very low35.3Very low169 Ų169127.1 Ų127.189%0.88581%0.806SS**  trans93.2137.6-175-56.4154.8000112
340E28.5Very low35.6Very low182 Ų182128.1 Ų128.185%0.8580%0.801SS**  cis-148.6161.823.9-167.9-176.2130.800112.1
341L38Very low35.4Very low146 Ų146125.5 Ų125.576%0.76480%0.795SS**  trans-134.4143.9176.7-95.3168000109.1
342P42.5Very low35Very low113 Ų113125.7 Ų125.773%0.73480%0.796SS**  -144.514186.230.9-11.1000114.4
343S33.2Very low34.8Very low99 Ų99128.6 Ų128.669%0.69280%0.797SS**  54.1102.981.7-67.20000117.1
344T36.9Very low34.9Very low135 Ų135130.2 Ų130.283%0.82879%0.791SS**  trans-141.5112139.639.70000112.6
345L37.4Very low35.2Very low171 Ų171135.1 Ų135.190%0.89579%0.792SS**  trans65.3103.4146.9-55.5176.1000120.5
346S37.7Very low35.5Very low102 Ų102133.2 Ų133.271%0.71379%0.785SS**  trans-92.9-179.3151.651.70000111.3
347L37.7Very low35.4Very low157 Ų157133.3 Ų133.382%0.82279%0.792SS**  trans82.2136172.6-63.4155000115.8
348Y28.5Very low35.6Very low192 Ų192134.5 Ų134.575%0.75379%0.794SS**  cis-166.7176.2-0.3-177.9-113.7000111.3
349K37.9Very low36Very low181 Ų181139.1 Ų139.179%0.78780%0.8SS**  trans88.1100.3162.3-150.7176.8-175.3-174.90115.7
350S40.4Very low36.1Very low97 Ų97140 Ų14068%0.67880%0.799SS**  cis82.9116.642-49.90000115.3
351G27.7Very low36.4Very low76 Ų76135.8 Ų135.878%0.78479%0.79SS**  trans161.2124.1160.700000115.8
352A32.3Very low36.2Very low100 Ų100139.9 Ų139.983%0.82680%0.795SS**  trans67.3118.1177.500000116.4
353L34Very low36.1Very low165 Ų165140.8 Ų140.886%0.86479%0.794SS**  cis67.4115.244.6-160.4149.4000110.1
354D37.3Very low36.6Very low136 Ų136145 Ų14573%0.72780%0.796SS**  cis-148.411725.2-16448.3000108.9
355E41.4Very low36.7Very low183 Ų183147.8 Ų147.886%0.85579%0.793SS**  3682.198.4-162152.8134.600119.1
356A37.6Very low36.6Very low92 Ų92146.4 Ų146.476%0.7679%0.786SS**  trans-156.5139.8142.100000112.6
357A37.1Very low36.8Very low107 Ų107150 Ų15088%0.88479%0.789SS**  trans75.819.4166.500000120.3Y359A357-Y359 VanDerWaalsContact C-N 3.28Å; A357-Y359 PolarHBondContact O-N 3.06Å
358A35.8Very low37.1Very low102 Ų102148.2 Ų148.284%0.84379%0.787SS**  trans-86.756.5165.300000112.9
359Y41.9Very low37.7Very low217 Ų217147.1 Ų147.185%0.85179%0.794SS**  trans-140.5137.6169.3-117.5-93.3000110.2A357A357-Y359 VanDerWaalsContact C-N 3.28Å; A357-Y359 PolarHBondContact O-N 3.06Å
360Q35.3Very low38.1Very low186 Ų186143.2 Ų143.287%0.86980%0.795SS**SBendtrans98.9138.1-173.7-57.1-74.67.400114.8
361S33.7Very low38Very low94 Ų94146.6 Ų146.666%0.65781%0.805SS**  trans60.295.1-175.51710000115.4D363S361-D363 PolarHBondContact OG-OD2 2.9Å
362R35.3Very low39Very low232 Ų232148.3 Ų148.388%0.87581%0.811SS**  trans-109.873.9154.3-178.9123.170-173.91.3108Y364R362-Y364 PolarHBondContact O-N 3.38Å
363D39.8Very low39.7Very low133 Ų133146.1 Ų146.171%0.71180%0.798SS**  trans-70.2100.6172.8-70.7-63.7000109.4S361S361-D363 PolarHBondContact OG-OD2 2.9Å
364Y42.9Very low40.8Very low187 Ų187144.2 Ų144.273%0.73380%0.796SS**  trans-71.3137.2176.6-146.9-104.4000108.8R362R362-Y364 PolarHBondContact O-N 3.38Å
365Y40.5Very low42Very low194 Ų194143.2 Ų143.276%0.76180%0.797SS**  trans80.171.5-169.6-54.5-74.7000116.9
366N35.1Very low42.8Very low142 Ų142140 Ų14076%0.75979%0.792SS**  trans-137118.5146.4-157.8-68.2000109.7
367F40.1Very low44Very low177 Ų177141.1 Ų141.178%0.77679%0.791SS**  trans-95.3119.6173.3-71.6-81000109.1L369F367-L369 PolarHBondContact O-N 2.97Å; F367-L369 VanDerWaalsContact O-N 3.13Å
368P44.1Very low45.4Very low120 Ų120141.6 Ų141.678%0.77979%0.785SS**  trans-77.9100.3176.130.6-32.6000110.4A370P368-A370 PolarHBondContact O-N 3.45Å
369L42.5Very low46.6Very low169 Ų169142 Ų14289%0.88578%0.779SS**  trans-72.9101.5162-86.4164.4000108.9F367 L371F367-L369 PolarHBondContact O-N 2.97Å; F367-L369 VanDerWaalsContact O-N 3.13Å; L369-L371 PolarHBondContact O-N 3.34Å; L369-L371 VanDerWaalsContact O-N 3.08Å
370A45Very low47.4Very low99 Ų99136.4 Ų136.482%0.81877%0.77SS**  trans-72.197173.200000110.2P368P368-A370 PolarHBondContact O-N 3.45Å
371L39.1Very low47.9Very low168 Ų168133.7 Ų133.788%0.8877%0.768SS**  trans-101.690.7168-146.378.4000109.8L369 G373L369-L371 PolarHBondContact O-N 3.34Å; L369-L371 VanDerWaalsContact O-N 3.08Å; L371-G373 PolarHBondContact O-N 2.91Å
372A48Very low48.1Very low111 Ų111136.9 Ų136.992%0.91777%0.772SS**  trans-69.997.8168.600000109.2
373G48.2Very low48.5Very low54 Ų54131.7 Ų131.756%0.55777%0.769SS**  trans-119.4142.3170.800000110.5L371L371-G373 PolarHBondContact O-N 2.91Å
374P56.8Low48.6Very low125 Ų125134.5 Ų134.581%0.81278%0.777SS**PPolyproline II helixtrans-63.5150.4173.928-34000110.7
375P62Low48.3Very low115 Ų115129.9 Ų129.975%0.74778%0.777SS**PPolyproline II helixtrans-62.9146.3-179.127-34.9000111.3
376P58Low48.6Very low117 Ų117131 Ų13176%0.7678%0.78SS**PPolyproline II helixtrans-64.5145.8179.727.3-34.8000111.3
377P63.5Low49Very low114 Ų114131.8 Ų131.874%0.7478%0.783SS**PPolyproline II helixtrans-65.7151.6177.428.2-34.8000111.5
378P66.1Low49Very low117 Ų117131.1 Ų131.176%0.7678%0.779SS**PPolyproline II helixtrans-64.9148.4178.327.9-34.8000111.7
379P61.6Low49.2Very low110 Ų110133.7 Ų133.771%0.71479%0.786SS**PPolyproline II helixtrans-65.3149.5178.628-35000111.7
380P58Low49.2Very low101 Ų101133.6 Ų133.666%0.65678%0.781SS**PPolyproline II helixtrans-65.7147.4179.828.1-35.1000111.7H382P380-H382 PolarHBondContact O-N 3.3Å
381P45.5Very low48.8Very low128 Ų128134.4 Ų134.483%0.83177%0.772SS**  trans-69.1114.1178.528.1-33.5000110.6
382H38.6Very low49.1Very low162 Ų162132.5 Ų132.575%0.7577%0.769SS**  trans-63133.4172.3-65.4-73.5000110.8P380 H384P380-H382 PolarHBondContact O-N 3.3Å; H382-H384 PolarHBondContact O-N 3.48Å
383P42.2Very low48.8Very low122 Ų122133.7 Ų133.779%0.79276%0.759SS**  trans-65.8135.9173.127.6-33.3000110.4A385P383-A385 PolarHBondContact O-N 2.99Å
384H43.8Very low48.7Very low193 Ų193138.3 Ų138.389%0.89477%0.771SS**  trans-65.9104-170.9-60.9-82000113.7H382H382-H384 PolarHBondContact O-N 3.48Å
385A35.5Very low47.8Very low89 Ų89143.3 Ų143.374%0.73678%0.776SS**  trans-90.697.9158.600000109.5P383 I387P383-A385 PolarHBondContact O-N 2.99Å; A385-I387 PolarHBondContact O-N 3.45Å
386R47.4Very low46.8Very low219 Ų219141 Ų14183%0.82677%0.773SS**  trans-72.389.9178.5-173.5-162.7-60.6-148.14110K388R386-K388 PolarHBondContact O-N 2.7Å
387I43.7Very low46.3Very low158 Ų158141.4 Ų141.481%0.8178%0.778SS**  trans-66.198.7171.5-57.6175.2000108.4A385A385-I387 PolarHBondContact O-N 3.45Å
388K40Very low45.5Very low162 Ų162140.2 Ų140.270%0.70478%0.778SS**  trans-70.5129.4157.4-81.6178.5170.4-1790107.2R386 E390R386-K388 PolarHBondContact O-N 2.7Å; K388-E390 PolarHBondContact O-N 3Å
389L48.1Very low44.4Very low174 Ų174145.2 Ų145.291%0.91178%0.782SS**  trans-71.695169.4-17769.6000108
390E42.6Very low43.6Very low167 Ų167144.8 Ų144.878%0.7879%0.788SS**  trans-91.1144.5173.3-159.8164.5125.100110.7K388K388-E390 PolarHBondContact O-N 3Å
391N35.8Very low42.8Very low117 Ų117144.9 Ų144.963%0.62680%0.797SS**  trans-80.6127.7-168.3-168.123.3000110.3L393N391-L393 PolarHBondContact O-N 3.43Å
392P45.4Very low42.5Very low127 Ų127143.7 Ų143.783%0.82580%0.798SS**THydrogen-bonded Turntrans-80.861.9-173.434.3-37.8000112.6
393L42.5Very low42.5Very low137 Ų137141 Ų14172%0.71780%0.804SS**THydrogen-bonded Turntrans-124.7-11.3178.8-93.8167.1000115.3N391N391-L393 PolarHBondContact O-N 3.43Å
394D45.2Very low42.3Very low150 Ų150139.5 Ų139.580%0.80280%0.801SS**  trans-116.370.6-176.8-73.8-66.2000113.1
395Y39.1Very low42Very low231 Ų231139.5 Ų139.591%0.90680%0.802SS**  trans-146.960.1159.5-129.2-85.1000112.3
396G41.2Very low41.8Very low67 Ų67141.7 Ų141.769%0.69181%0.81SS**SBendtrans-142.624.1-177.100000115
397S47.7Very low41.2Very low125 Ų125142.9 Ų142.987%0.87482%0.815SS**  trans-151.847.9-173.3-70.30000114.4
398A45.1Very low40.3Very low88 Ų88146.5 Ų146.573%0.72782%0.82SS**SBendtrans-136.628.5-177.300000115.6
399W42.6Very low40Very low222 Ų222141.5 Ų141.584%0.84181%0.814SS**SBendtrans-132.72.2171.470.5-89.4000115.5
400A45Very low39.3Very low102 Ų102140.4 Ų140.484%0.84381%0.809SS**SBendtrans-93.49.9-176.600000115.2
401A41.1Very low38.9Very low103 Ų103139.5 Ų139.585%0.85181%0.809SS**SBendtrans-140.148.2-170.300000114.1
402A40.2Very low38.7Very low103 Ų103138.3 Ų138.385%0.85182%0.815SS**  trans-147.443.3174.200000113.3
403A39.1Very low38Very low106 Ų106137.3 Ų137.388%0.87681%0.811SS**SBendtrans-133.639.3177.400000113
404A38.2Very low37.6Very low89 Ų89137.9 Ų137.974%0.73682%0.815SS**SBendtrans-15887.6168.700000111.3
405Q35.7Very low37.1Very low194 Ų194139.7 Ų139.791%0.90782%0.818SS**  trans165.577.7147.4-91.2164.542.400112
406C32.3Very low36.6Very low135 Ų135132 Ų13291%0.91281%0.808SS**  trans-131.7102.6152.7-83.80000107.7
407R33.8Very low36.2Very low243 Ų243134.2 Ų134.292%0.91782%0.82SS**  trans-81.3126.6173.9-84.7-84.6-172.8170.6-0.8109.2
408Y26.5Very low35.4Very low235 Ų235132.2 Ų132.292%0.92282%0.82SS**  trans-132.9146.2157.4-170.8-91.8000107.6
409G33.2Very low35Very low57 Ų57133.1 Ų133.159%0.58883%0.827SS**  trans97.9120.3174.800000114.8
410D32.6Very low34.6Very low151 Ų151127.5 Ų127.581%0.80783%0.828SS**  trans-85.6165.4170.3-177.422.1000111.2
411L35.8Very low34.1Very low147 Ų147126.1 Ų126.177%0.7782%0.824SS**  trans112.5114.2161.8-58.7177.9000119.1
412A31.1Very low33.9Very low92 Ų92127.9 Ų127.976%0.7683%0.826SS**  trans80.2119.5141.900000122.9
413S30.2Very low33.4Very low106 Ų106126.4 Ų126.474%0.74182%0.822SS**  trans79.196.9134.8-67.50000123.4
414L35.1Very low33.3Very low150 Ų150127.8 Ų127.879%0.78582%0.824SS**  67.5133.5114.4-77.3167000123.2
415H33.8Very low32.9Very low188 Ų188127 Ų12787%0.8783%0.825SS**  trans63147.3168.2-76.6-94.1000117
416G28Very low32.9Very low68 Ų68123.7 Ų123.770%0.70182%0.824SS**  cis-168.8170.9-100000111
417A33.4Very low33.3Very low114 Ų114123.2 Ų123.294%0.94282%0.818SS**  trans-74.5159.9-171.300000115.1
418G30.5Very low33.1Very low84 Ų84117.4 Ų117.487%0.86682%0.815SS**  trans172.1127.4165.400000113.7
419A36.3Very low33.5Very low107 Ų107111.4 Ų111.488%0.88481%0.814SS**  trans-111.4149.9179.100000112
420A35Very low33.3Very low104 Ų104113.4 Ų113.486%0.8683%0.825SS**  trans-159.8143.8158.500000110.1
421G33.6Very low33.2Very low73 Ų73111.5 Ų111.575%0.75383%0.831SS**  trans-92.2176.9-17600000114.8
422P38.6Very low32.8Very low139 Ų139110.2 Ų110.290%0.90383%0.834SS**  trans-90.8129.6-179.334.1-31.2000112.4
423G28.9Very low32.8Very low73 Ų73110.8 Ų110.875%0.75383%0.832SS**  trans-99.9139.6165.800000111.8
424S37.2Very low33Very low134 Ų134110.7 Ų110.794%0.93783%0.831SS**  trans31.4116.3146.91760000119.8
425G29.6Very low33.1Very low72 Ų72113.5 Ų113.574%0.74283%0.832SS**  trans171.396.3155.100000114.6P427G425-P427 WeakPolarHBondContact O-CD 3.33Å
426S35.8Very low33.5Very low126 Ų126113.2 Ų113.288%0.88183%0.83SS**PPolyproline II helixtrans-83.9125.5167.2-570000110.7
427P40.5Very low34.2Very low124 Ų124116.3 Ų116.381%0.80584%0.836SS**PPolyproline II helixtrans-94.6133.216432.9-27.7000111G425G425-P427 WeakPolarHBondContact O-CD 3.33Å
428S29.4Very low34.5Very low122 Ų122118.5 Ų118.585%0.85383%0.831SS**PPolyproline II helixtrans-73.2152172.2-68.90000111.6
429A34.4Very low34.8Very low108 Ų108124.5 Ų124.589%0.89383%0.834SS**PPolyproline II helixtrans-73.1126.4-175.400000113.3
430A30.2Very low34.8Very low99 Ų99126.4 Ų126.482%0.81883%0.834SS**  trans-144.987.9158.500000108.4S432A430-S432 PolarHBondContact O-N 3.27Å
431A30.1Very low34.9Very low112 Ų112126.3 Ų126.393%0.92683%0.834SS**  trans-84113-179.600000110.6
432S27.8Very low35.4Very low120 Ų120131.3 Ų131.384%0.83984%0.838SS**  trans-124.1122.2160.9-169.60000108.7A430A430-S432 PolarHBondContact O-N 3.27Å
433S30.1Very low35.5Very low103 Ų103134.5 Ų134.572%0.7284%0.84SS**  trans-78.4128.7-174-176.70000111.1
434S34.2Very low36Very low104 Ų104134.4 Ų134.473%0.72784%0.839SS**  trans-140.5108.1171.3-177.90000109.6
435W38.1Very low36Very low210 Ų210137.1 Ų137.180%0.79584%0.837SS**  trans-123.859.3-178.3-83.3105.8000111.6
436H41.2Very low36.5Very low181 Ų181141.8 Ų141.884%0.83884%0.844SS**  trans-144.274.7172.2-70.9-57.9000112.4
437T43.3Very low36.4Very low133 Ų133146.6 Ų146.682%0.81685%0.845SS**  trans-150.751.8168.6-35.80000113.4
438L39.4Very low36.2Very low161 Ų161144.1 Ų144.184%0.84384%0.841SS**  trans-141.792.6162.7-72.9178.2000108.2
439F37.5Very low37.1Very low210 Ų210143.6 Ų143.692%0.92184%0.835SS**  trans16472155-86.6-56.4000110
440T35.5Very low37Very low146 Ų146144.9 Ų144.990%0.89684%0.836SS**  trans-159.294.7160.2-23.30000110
441A38.1Very low37.2Very low103 Ų103144 Ų14485%0.85184%0.836SS**  trans-154.857.7177.800000111.9
442E43.9Very low37.5Very low178 Ų178142.9 Ų142.983%0.83284%0.836SS**  trans-157105.2167.452.2-162.8-169.700105.3
443E40.8Very low37.9Very low205 Ų205141 Ų14196%0.95884%0.836SS**  69.2126.188.4-168174.8-157.300113.3
444G39.3Very low38.3Very low71 Ų71140.1 Ų140.173%0.73284%0.843SS**  trans14151.1174.700000117.1L446G444-L446 PolarHBondContact O-N 3.13Å
445Q36.4Very low38.6Very low191 Ų191139.3 Ų139.389%0.89385%0.851SS**  trans-77.2112.4168.1-86.9-78.7-23.200110.7
446L41.4Very low38.9Very low170 Ų170133.5 Ų133.589%0.8986%0.856SS**  trans-140.795171.5-13089.1000113.1G444G444-L446 PolarHBondContact O-N 3.13Å
447Y31.8Very low39Very low228 Ų228128.7 Ų128.789%0.89486%0.856SS**  trans43.8116.1139.9-145.4-92.8000121.6
448G36.2Very low39Very low71 Ų71126 Ų12673%0.73286%0.855SS**  trans173.4130.1162.900000113.8
449P49.6Very low39.1Very low111 Ų111122.5 Ų122.572%0.72186%0.857SS**  trans-118.7170.1-158.242.9-34.4000117.7
450C32.1Very low39.2Very low135 Ų135116.2 Ų116.291%0.91285%0.851SS**  trans74.8132.6159.2-63.90000119.7
451G34.5Very low39.6Very low80 Ų80113.3 Ų113.383%0.82585%0.851SS**  trans14982.8164.500000114.1
452G35.3Very low39.7Very low89 Ų89112.6 Ų112.692%0.91885%0.853SS**  trans-69.3-177.5-169.500000118.3
453G36.6Very low39.7Very low81 Ų81108.2 Ų108.284%0.83586%0.856SS**  trans139.189.4163.500000116.6
454G38.9Very low39.9Very low84 Ų84102.6 Ų102.687%0.86685%0.853SS**  71.8124.1122.700000121.3
455G41.4Very low40.1Very low87 Ų87103.1 Ų103.190%0.89786%0.859SS**  trans89.1135.8157.700000114.8
456G44.2Very low40.6Very low88 Ų8898.2 Ų98.291%0.90786%0.859SS**  cis142.2107.9200000109.8
457G43Very low40.6Very low81 Ų8194.2 Ų94.284%0.83586%0.859SS**  trans167.668.3-176.300000115.4
458G42.6Very low41.1Very low77 Ų7787.4 Ų87.479%0.79486%0.858SS**  trans-66.2150151.800000109
459G41.3Very low41.2Very low87 Ų8788.2 Ų88.290%0.89787%0.866SS**  75126.566.600000109.5
460G40.9Very low40.5Very low77 Ų7786.9 Ų86.979%0.79487%0.873SS**  cis166.5-174.65.200000109
461G42.2Very low40.6Very low86 Ų8684.7 Ų84.789%0.88787%0.873SS**  trans86.7145.6177.900000114
462G41.8Very low40.6Very low87 Ų8785.1 Ų85.190%0.89788%0.877SS**  cis119.1123.45.100000111.3
463G43Very low40.6Very low86 Ų8684.5 Ų84.589%0.88787%0.871SS**  trans155.5117.9177.700000111.9
464G46.4Very low40.6Very low88 Ų8890.1 Ų90.191%0.90788%0.876SS**  trans-118.9174.9176.400000112.5
465G43Very low40.4Very low82 Ų8290.5 Ų90.585%0.84587%0.871SS**  trans152.8139.117900000108.5
466G45.3Very low39.9Very low87 Ų8789.9 Ų89.990%0.89786%0.864SS**  cis124.5102.3900000109.6
467G41.9Very low39.2Very low87 Ų8790.1 Ų90.190%0.89786%0.858SS**  trans171.1140.617900000112.5
468G42.4Very low38.9Very low84 Ų8493.1 Ų93.187%0.86686%0.859SS**  trans-156.2-177.4-179.900000112.8
469G38.3Very low38.5Very low88 Ų8893.5 Ų93.591%0.90786%0.855SS**  trans100.9148.2-17400000112.6
470G35.6Very low38.8Very low83 Ų8394.2 Ų94.286%0.85684%0.844SS**  cis151.4129-7.100000112.8
471G34.7Very low38.3Very low90 Ų90101.3 Ų101.393%0.92885%0.848SS**  trans95.2146.6160.400000118
472G32.7Very low37.8Very low88 Ų88100 Ų10091%0.90783%0.834SS**  trans133.4109.3170.300000113.3
473G36.2Very low37.1Very low76 Ų76106.6 Ų106.678%0.78483%0.834SS**  trans-156.6141.2175.900000113.4
474E37.1Very low36.5Very low200 Ų200108.5 Ų108.594%0.93583%0.829SS**  trans-168148.7171.4-102.1178.4110.400105.7
475A33.8Very low35.9Very low92 Ų92115.4 Ų115.476%0.7683%0.827SS**  cis-158.7165.70.700000111.4
476G31.8Very low36.1Very low73 Ų73116.9 Ų116.975%0.75382%0.822SS**  trans70.7102.1157.500000118.9
477A29.9Very low36.8Very low94 Ų94117.3 Ų117.378%0.77781%0.809SS**  70.9107.58400000114.5
478V35Very low36.5Very low144 Ų144122 Ų12287%0.87381%0.808SS**  cis68.6123.949.6-177.50000111.6
479A35.6Very low36Very low84 Ų84121.2 Ų121.269%0.69480%0.799SS**  cis-146.2-148.5900000108.9
480P47.4Very low35.7Very low103 Ų103125.7 Ų125.767%0.66980%0.801SS**  cis-124.1-180-22.6224.4000110.9
481Y30.7Very low35.4Very low225 Ų225126.6 Ų126.688%0.88280%0.8SS**  cis-156.8159.939.4-100-90.6000109.1
482G31.1Very low35.2Very low58 Ų58125.8 Ų125.860%0.59879%0.792SS**  trans-121.9156.1162.900000111.5
483Y27.6Very low35.2Very low226 Ų226129.7 Ų129.789%0.88679%0.787SS**  trans-179.1135.8143.8-108.4-79.2000111.5
484T28.8Very low34.7Very low127 Ų127133.2 Ų133.278%0.77978%0.783SS**  trans26134.6150.550.70000125
485R35.3Very low34.4Very low232 Ų232128 Ų12888%0.87577%0.768SS**  trans-75.2165.1154.7144.5-162.7-81.2-142.20.9110.7
486P46.5Very low34.3Very low113 Ų113130.3 Ų130.373%0.73477%0.768SS**  cis-127.8-134.215.729.1-1.3000115
487P60.1Low34.2Very low96 Ų96136.4 Ų136.462%0.62377%0.774SS**  -125.1-155.2-104.543.5-23.8000115.5
488Q35.9Very low34.4Very low187 Ų187138.1 Ų138.187%0.87478%0.775SS**  trans78.3151.6173.4-60.8142.1-48.600116.2
489G31.3Very low34.8Very low66 Ų66135.5 Ų135.568%0.6877%0.769SS**  cis173-170.8-3.800000113.5
490L31.9Very low35.1Very low182 Ų182137.4 Ų137.495%0.95377%0.774SS**  trans99.4124.5176.3-55.6-176.8000115.3
491A29.9Very low34.7Very low102 Ų102139.8 Ų139.884%0.84378%0.781SS**  cis-160.1160-13.700000107.5
492G30.2Very low35.3Very low73 Ų73134.3 Ų134.375%0.75377%0.771SS**  cis-171.2176.7-2.400000110.2
493Q32.1Very low35.3Very low171 Ų171142.3 Ų142.380%0.79978%0.783SS**  trans21.1145.8160.2-89.8-174.4-87.600122.1
494E27Very low35.7Very low150 Ų150141.9 Ų141.970%0.70178%0.781SS**  cis-164.4153.61347.6-145.1112.900114.4
495S30Very low36.7Very low90 Ų90141.3 Ų141.363%0.62978%0.78SS**  trans45.9109.9151.158.70000123.2
496D33.1Very low36.8Very low141 Ų141134 Ų13475%0.75478%0.776SS**  61150.5119.6-63-61.9000125.3
497F28.5Very low36.3Very low200 Ų200131.7 Ų131.788%0.87777%0.774SS**  trans102.7150.9155.8-64.6-70000121.6
498T33.9Very low35.4Very low131 Ų131136 Ų13680%0.80479%0.788SS**  trans-77.8165.4-163.6-38.60000113.7
499A42.9Very low35.8Very low89 Ų89133.7 Ų133.774%0.73679%0.786SS**  trans-51.8155.2179.400000116.1
500P43.8Very low36.3Very low124 Ų124135.7 Ų135.781%0.80579%0.79SS**  trans-134.5155.2139.337.4-25.7000115.2
501D38Very low36.7Very low152 Ų152138.5 Ų138.581%0.81379%0.787SS**  trans-76-179172.5-82.7-84.7000114.7
502V43.5Very low37.1Very low110 Ų110140 Ų14067%0.66779%0.785SS**  trans80.3119153.8-148.50000117.2
503W30.8Very low37.6Very low226 Ų226142.1 Ų142.186%0.85679%0.786SS**  168.2110.8107.6-92.795.5000111.9
504Y37Very low37.4Very low217 Ų217144 Ų14485%0.85179%0.787SS**  trans-84.2143.5156.7-112.2-83.2000108.9
505P48.4Very low38Very low116 Ų116141.8 Ų141.875%0.75379%0.786SS**  trans-129.1131139.633.3-22.5000111.4
506G37.1Very low38.1Very low77 Ų77142.6 Ų142.679%0.79479%0.792SS**  trans-83.9152.8167.500000111.4
507G37.4Very low38.6Very low66 Ų66141.2 Ų141.268%0.6879%0.791SS**  trans-174.987.7-178.800000117.7
508M40.8Very low39.1Very low187 Ų187138.4 Ų138.492%0.92179%0.79SS**  trans78.9143.5140.5-40.2-174.5-151.500121.7
509V43Very low39.5Very low138 Ų138137.7 Ų137.784%0.83679%0.789SS**  trans83.6105.8158.2-155.50000120
510S42.2Very low39.3Very low108 Ų108140.5 Ų140.576%0.75580%0.797SS**  trans-35.7136166.5-480000118.1
511R40.2Very low39.1Very low241 Ų241142.7 Ų142.791%0.90979%0.794SS**  trans-135.3128.8137.5-73.8-166.8177.2175.40.4110.5
512V39.3Very low39.3Very low132 Ų132140.7 Ų140.780%0.879%0.792SS**PPolyproline II helixtrans-72.5128.6175.7171.60000109.6Y514V512-Y514 PolarHBondContact O-N 3.09Å
513P39.9Very low39.5Very low119 Ų119142.6 Ų142.677%0.77379%0.793SS**PPolyproline II helixtrans-71.1125.3165-15.831.2000110.4
514Y28.8Very low40.1Very low209 Ų209138 Ų13882%0.8278%0.783SS**PPolyproline II helixtrans-64.8142.5179.2-165.1-91.1000111.7V512 S516V512-Y514 PolarHBondContact O-N 3.09Å; Y514-S516 PolarHBondContact O-N 3.03Å
515P40.3Very low40.3Very low105 Ų105129.6 Ų129.668%0.68276%0.762SS**  trans-75.4114175.830.5-32.5000110.5
516S31.9Very low40.5Very low106 Ų106129.5 Ų129.574%0.74176%0.762SS**  trans-82.5134.4171.150.90000110.8Y514Y514-S516 PolarHBondContact O-N 3.03Å
517P41.9Very low41Very low112 Ų112134.1 Ų134.173%0.72776%0.755SS**  trans-81.6140-167.630.9-35.5000113.8C519P517-C519 PolarHBondContact O-N 3.44Å
518T39.1Very low41.3Very low142 Ų142136.6 Ų136.687%0.87175%0.751SS**  trans-71.8100.1167.847.30000110.8
519C43.9Very low41.7Very low115 Ų115134.5 Ų134.578%0.77774%0.743SS**  trans-144.464.7174-87.60000113.3P517P517-C519 PolarHBondContact O-N 3.44Å
520V37.2Very low41.8Very low149 Ų149132.9 Ų132.990%0.90374%0.738SS**  trans-132.9109.7147.3-163.60000108.5S522V520-S522 PolarHBondContact O-N 3.49Å; V520-S522 VanDerWaalsContact O-N 3.15Å
521K39.3Very low41.9Very low169 Ų169138.1 Ų138.174%0.73574%0.742SS**  trans-72.498.3-178.2178.3-171.8171.2-160.20109.9E523K521-E523 WeakPolarHBondContact CE-OE2 3.49Å; K521-E523 IonicContact NZ-OE2 2.62Å; K521-E523 PolarHBondContact NZ-OE2 3.29Å; K521-E523 PolarHBondContact O-N 3.07Å
522S42.4Very low42.3Very low111 Ų111132.3 Ų132.378%0.77674%0.739SS**  trans-83.293.9163.3-167.90000108.7V520 M524V520-S522 PolarHBondContact O-N 3.49Å; V520-S522 VanDerWaalsContact O-N 3.15Å; S522-M524 PolarHBondContact O-N 3.49Å
523E48Very low42.7Very low149 Ų149127.9 Ų127.970%0.69672%0.72SS**  trans-74.873.3177.4-168.1177.712800110.7K521K521-E523 WeakPolarHBondContact CE-OE2 3.49Å; K521-E523 IonicContact NZ-OE2 2.62Å; K521-E523 PolarHBondContact NZ-OE2 3.29Å; K521-E523 PolarHBondContact O-N 3.07Å
524M43.7Very low43.2Very low131 Ų131127.6 Ų127.665%0.64572%0.718SS**  trans-131.778163.4-16465.7-179.700108.4S522 W527S522-M524 PolarHBondContact O-N 3.49Å; M524-W527 HydrophobicContact CE-CZ2 3.79Å
525G42.1Very low43.8Very low40 Ų40125.6 Ų125.641%0.41271%0.71SS.*  trans-71.1171-174.900000114.5W527G525-W527 PolarHBondContact O-N 2.98Å
526P52.3Low44.1Very low114 Ų114122.5 Ų122.574%0.7470%0.698SS**SBendtrans-78.530.2-161.4-15.933.3000116.5M528P526-M528 VanDerWaalsContact C-N 3.3Å; P526-M528 PolarHBondContact O-N 2.93Å
527W48Very low45Very low174 Ų174122.1 Ų122.166%0.65969%0.687SS**THydrogen-bonded Turntrans-77.1-9.7-171.960.8-90.9000114.7M524 G525M524-W527 HydrophobicContact CE-CZ2 3.79Å; G525-W527 PolarHBondContact O-N 2.98Å
528M43.5Very low45.4Very low118 Ų118121.3 Ų121.358%0.58168%0.675SS**THydrogen-bonded Turntrans-89.9-20.8-179.7-90.1-100.35500114.8P526P526-M528 VanDerWaalsContact C-N 3.3Å; P526-M528 PolarHBondContact O-N 2.93Å
529D49.3Very low46.1Very low143 Ų143122.6 Ų122.677%0.76566%0.664SS**SBendtrans-91.4-10.9-172-69.9-61.5000114.5
530S45.2Very low46.3Very low104 Ų104120.7 Ų120.773%0.72765%0.646SS**  trans-88.9-3.7-177-55.70000115.6S532S530-S532 PolarHBondContact O-N 3.39Å; S530-S532 VanDerWaalsContact O-N 3.1Å
531Y42.8Very low47.3Very low217 Ų217115.7 Ų115.785%0.85162%0.616SS**  trans-84.637.6179.1-99.5-78.3000114.6
532S49.9Very low48.1Very low120 Ų120116.7 Ų116.784%0.83962%0.615SS**  trans-99.650.4166.6-68.50000111.8S530S530-S532 PolarHBondContact O-N 3.39Å; S530-S532 VanDerWaalsContact O-N 3.1Å
533G47.7Very low49Very low39 Ų39119.3 Ų119.340%0.40261%0.608SS.*SBendtrans-90.8164.4170.300000112.7Y535 G536G533-Y535 PolarHBondContact O-N 3.34Å; G533-G536 PolarHBondContact O-N 3.02Å
534P49.6Very low49.9Very low112 Ų112118.8 Ų118.873%0.72760%0.603SS**THydrogen-bonded Turntrans-60.7-10.1-172.222.3-33.9000115.9G536 D537P534-G536 VanDerWaalsContact C-N 3.26Å; P534-G536 PolarHBondContact O-N 3.19Å; P534-D537 PolarHBondContact O-N 3.13Å
535Y41.5Very low51.1Low167 Ų167121.1 Ų121.166%0.65561%0.605SS**Hα-helixtrans-63.5-25.2175.7-108.1-96.2000114.6G533 D537G533-Y535 PolarHBondContact O-N 3.34Å; Y535-D537 VanDerWaalsContact C-N 3.35Å
536G46.7Very low52.6Low41 Ų41124.2 Ų124.242%0.42361%0.611SS.*Hα-helixtrans-63.9-39176.500000112.8G533 P534 N540G533-G536 PolarHBondContact O-N 3.02Å; P534-G536 VanDerWaalsContact C-N 3.26Å; P534-G536 PolarHBondContact O-N 3.19Å; G536-N540 PolarHBondContact O-N 3.23Å; G536-N540 PolarHBondContact O-ND2 2.96Å
537D50.5Low53.7Low97 Ų97127.3 Ų127.352%0.51961%0.608SS.*Hα-helixtrans-79.2-31.1-176.8-16224.8000112.5P534 Y535 R539 N540 T541P534-D537 PolarHBondContact O-N 3.13Å; Y535-D537 VanDerWaalsContact C-N 3.35Å; D537-R539 VanDerWaalsContact C-N 3.29Å; D537-R539 PolarHBondContact O-N 2.96Å; D537-N540 PolarHBondContact O-N 2.68Å; D537-T541 WeakPolarHBondContact O-CB 3.28Å; D537-T541 WeakPolarHBondContact O-CG2 3.47Å; D537-T541 PolarHBondContact O-N 3.16Å; D537-T541 PolarHBondContact O-OG1 3.39Å
538M50.4Low54.9Low96 Ų96126.5 Ų126.547%0.47361%0.61SS.*Hα-helixtrans-62.5-32.5172.1-88.3153.460.800113.3T541 R542M538-T541 WeakPolarHBondContact CA-OG1 3.4Å; M538-T541 PolarHBondContact O-OG1 3.03Å; M538-R542 WeakPolarHBondContact O-CB 3.32Å; M538-R542 VanDerWaalsContact O-CG 3.31Å; M538-R542 WeakPolarHBondContact O-CG 3.44Å; M538-R542 PolarHBondContact O-N 3.1Å; M538-R542 VanDerWaalsContact O-N 3.13Å
539R53.3Low56.4Low168 Ų168125.5 Ų125.563%0.63461%0.606SS**Hα-helixtrans-72.2-41.3172.7-67.7-176.7179-172.50.3111.7D537 R543D537-R539 VanDerWaalsContact C-N 3.29Å; D537-R539 PolarHBondContact O-N 2.96Å; R539-R543 WeakPolarHBondContact O-CG 3.41Å; R539-R543 PolarHBondContact O-N 3.05Å
540N49.1Very low57.7Low75 Ų75122.5 Ų122.540%0.40159%0.589SS.*Hα-helixtrans-70.6-39178.6-76-34.2000113.1G536 D537 R543 K544G536-N540 PolarHBondContact O-N 3.23Å; G536-N540 PolarHBondContact O-ND2 2.96Å; D537-N540 PolarHBondContact O-N 2.68Å; N540-R543 PolarHBondContact O-N 2.84Å; N540-K544 WeakPolarHBondContact O-CB 3.3Å; N540-K544 VanDerWaalsContact O-CG 3.23Å; N540-K544 WeakPolarHBondContact O-CG 3.49Å; N540-K544 PolarHBondContact O-N 2.85Å
541T58.2Low59Low44 Ų44121.1 Ų121.127%0.2757%0.573SS.*Hα-helixtrans-68.8-39.5174.952.90000112.2D537 M538 K544 R545D537-T541 WeakPolarHBondContact O-CB 3.28Å; D537-T541 WeakPolarHBondContact O-CG2 3.47Å; D537-T541 PolarHBondContact O-N 3.16Å; D537-T541 PolarHBondContact O-OG1 3.39Å; M538-T541 WeakPolarHBondContact CA-OG1 3.4Å; M538-T541 PolarHBondContact O-OG1 3.03Å; T541-K544 PolarHBondContact O-N 3.29Å; T541-R545 WeakPolarHBondContact O-CG 3.44Å; T541-R545 PolarHBondContact O-N 3.36Å
542R55.8Low60.4Low191 Ų191119.3 Ų119.372%0.72157%0.565SS**Hα-helixtrans-60.6-45.7171.1-77.5-175-175.7-155.63.1111.8M538 R545 L546M538-R542 WeakPolarHBondContact O-CB 3.32Å; M538-R542 VanDerWaalsContact O-CG 3.31Å; M538-R542 WeakPolarHBondContact O-CG 3.44Å; M538-R542 PolarHBondContact O-N 3.1Å; M538-R542 VanDerWaalsContact O-N 3.13Å; R542-R545 PolarHBondContact O-N 3.49Å; R542-L546 WeakPolarHBondContact O-CB 3.47Å; R542-L546 PolarHBondContact O-N 3.29Å
543R62.1Low61.3Low166 Ų166117.1 Ų117.163%0.62655%0.549SS*.Hα-helixtrans-60.6-44.2174.1-71.8176.8-166.2164.2-0.3112.5R539 N540 R545 L546 W547R539-R543 WeakPolarHBondContact O-CG 3.41Å; R539-R543 PolarHBondContact O-N 3.05Å; N540-R543 PolarHBondContact O-N 2.84Å; R543-R545 VanDerWaalsContact C-N 3.35Å; R543-R545 PolarHBondContact O-N 3.17Å; R543-L546 PolarHBondContact O-N 3.34Å; R543-W547 VanDerWaalsContact O-CB 3.28Å; R543-W547 WeakPolarHBondContact O-CB 3.35Å; R543-W547 PolarHBondContact O-N 3.4Å
544K66.8Low62.3Low137 Ų137119.5 Ų119.560%0.59655%0.552SS**Hα-helixtrans-62.1-37.8176.4-73.7167.8-178176.20112.4N540 T541 K548N540-K544 WeakPolarHBondContact O-CB 3.3Å; N540-K544 VanDerWaalsContact O-CG 3.23Å; N540-K544 WeakPolarHBondContact O-CG 3.49Å; N540-K544 PolarHBondContact O-N 2.85Å; T541-K544 PolarHBondContact O-N 3.29Å; K544-K548 WeakPolarHBondContact O-CG 3.46Å; K544-K548 PolarHBondContact O-N 3.1Å; K544-K548 VanDerWaalsContact O-N 3.14Å
545R67.6Low62.8Low181 Ų181118.4 Ų118.468%0.68354%0.54SS*.Hα-helixtrans-69.5-44.5174.6-70.2179.5-161.4-1405.9111.7T541 R542 R543 K548 L549T541-R545 WeakPolarHBondContact O-CG 3.44Å; T541-R545 PolarHBondContact O-N 3.36Å; R542-R545 PolarHBondContact O-N 3.49Å; R543-R545 VanDerWaalsContact C-N 3.35Å; R543-R545 PolarHBondContact O-N 3.17Å; R545-K548 PolarHBondContact O-N 3.47Å; R545-L549 PolarHBondContact O-N 3.16Å
546L74.4Confident63.5Low104 Ų104114.2 Ų114.255%0.54554%0.535SS..Hα-helixtrans-61.8-43.7176.8-17166.7000111.5R542 R543 K548 L549 I550R542-L546 WeakPolarHBondContact O-CB 3.47Å; R542-L546 PolarHBondContact O-N 3.29Å; R543-L546 PolarHBondContact O-N 3.34Å; L546-K548 PolarHBondContact O-N 3.36Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 2.74Å; L546-L549 VanDerWaalsContact O-N 3.16Å; L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.46Å
547W75.4Confident63.7Low179 Ų179117.1 Ų117.168%0.67855%0.547SS*.Hα-helixtrans-60.6-42.9175.2-171.1-94000112.6R543 L549 I550 I551R543-W547 VanDerWaalsContact O-CB 3.28Å; R543-W547 WeakPolarHBondContact O-CB 3.35Å; R543-W547 PolarHBondContact O-N 3.4Å; W547-L549 VanDerWaalsContact C-N 3.35Å; W547-L549 PolarHBondContact O-N 3.17Å; W547-I550 PolarHBondContact O-N 2.88Å; W547-I551 VanDerWaalsContact NE1-CD1 3.26Å; W547-I551 PolarHBondContact O-N 3.29Å
548K72.6Confident63.9Low158 Ų158118.5 Ų118.569%0.68755%0.553SS**Hα-helixtrans-64.3-35.9173.6-77-176.1176.3-169.40112.9K544 R545 L546 R552K544-K548 WeakPolarHBondContact O-CG 3.46Å; K544-K548 PolarHBondContact O-N 3.1Å; K544-K548 VanDerWaalsContact O-N 3.14Å; R545-K548 PolarHBondContact O-N 3.47Å; L546-K548 PolarHBondContact O-N 3.36Å; K548-R552 VanDerWaalsContact O-CB 3.28Å; K548-R552 WeakPolarHBondContact O-CB 3.5Å; K548-R552 PolarHBondContact O-N 3.03Å
549L74.9Confident63.5Low96 Ų96118.6 Ų118.650%0.50356%0.563SS.*Hα-helixtrans-68.4-44.7175.2-78.5160.7000111.7R545 L546 W547 R552 S553R545-L549 PolarHBondContact O-N 3.16Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 2.74Å; L546-L549 VanDerWaalsContact O-N 3.16Å; W547-L549 VanDerWaalsContact C-N 3.35Å; W547-L549 PolarHBondContact O-N 3.17Å; L549-R552 PolarHBondContact O-N 2.94Å; L549-S553 WeakPolarHBondContact O-CB 3.39Å; L549-S553 PolarHBondContact O-N 2.94Å
550I76.8Confident62.7Low81 Ų81115 Ų11542%0.41556%0.563SS.*Hα-helixtrans-60.9-50.3177-69.5165.2000110.6L546 W547 R552 S553 I554L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.46Å; W547-I550 PolarHBondContact O-N 2.88Å; I550-R552 VanDerWaalsContact C-N 3.32Å; I550-R552 PolarHBondContact O-N 3.47Å; I550-S553 PolarHBondContact O-N 3.14Å; I550-I554 HydrophobicContact CG2-CD1 3.67Å; I550-I554 HydrophobicContact CG2-CG1 4.48Å; I550-I554 VanDerWaalsContact O-CG1 3.32Å; I550-I554 WeakPolarHBondContact O-CG1 3.37Å; I550-I554 PolarHBondContact O-N 3.07Å
551I74Confident62.3Low75 Ų75116.5 Ų116.539%0.38558%0.577SS.*Hα-helixtrans-60.8-41177.3-72.4-178.4000111.6W547 I554 N555W547-I551 VanDerWaalsContact NE1-CD1 3.26Å; W547-I551 PolarHBondContact O-N 3.29Å; I551-I554 PolarHBondContact O-N 3.34Å; I551-N555 WeakPolarHBondContact O-CB 3.35Å; I551-N555 PolarHBondContact O-N 3.15Å
552R71.6Confident61.7Low179 Ų179125.6 Ų125.668%0.67561%0.606SS**Hα-helixtrans-67.6-35.8178.3-170.216365.2131.81.4112.7K548 L549 I550 S556K548-R552 VanDerWaalsContact O-CB 3.28Å; K548-R552 WeakPolarHBondContact O-CB 3.5Å; K548-R552 PolarHBondContact O-N 3.03Å; L549-R552 PolarHBondContact O-N 2.94Å; I550-R552 VanDerWaalsContact C-N 3.32Å; I550-R552 PolarHBondContact O-N 3.47Å; R552-S556 WeakPolarHBondContact O-CB 3.23Å; R552-S556 PolarHBondContact O-N 3.29Å
553S68.4Low61Low73 Ų73124.8 Ų124.851%0.5161%0.611SS.*Hα-helixtrans-65.9-45.6173.2-163.90000111.5L549 I550 S556 C557L549-S553 WeakPolarHBondContact O-CB 3.39Å; L549-S553 PolarHBondContact O-N 2.94Å; I550-S553 PolarHBondContact O-N 3.14Å; S553-S556 WeakPolarHBondContact O-CB 3.29Å; S553-S556 PolarHBondContact O-N 3.12Å; S553-C557 PolarHBondContact O-N 3.41Å; S553-C557 PolarHBondContact O-SG 2.87Å; S553-C557 VanDerWaalsContact O-SG 3.34Å
554I69.5Low60Low90 Ų90122.7 Ų122.746%0.46262%0.616SS.*Hα-helixtrans-61.9-46.5179-68.6166.7000110.7I550 I551 S556 C557 I558I550-I554 HydrophobicContact CG2-CD1 3.67Å; I550-I554 HydrophobicContact CG2-CG1 4.48Å; I550-I554 VanDerWaalsContact O-CG1 3.32Å; I550-I554 WeakPolarHBondContact O-CG1 3.37Å; I550-I554 PolarHBondContact O-N 3.07Å; I551-I554 PolarHBondContact O-N 3.34Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.4Å; I554-C557 PolarHBondContact O-N 3.14Å; I554-C557 VanDerWaalsContact O-N 3.16Å; I554-I558 HydrophobicContact CG2-CD1 3.81Å; I554-I558 WeakPolarHBondContact O-CG1 3.14Å; I554-I558 PolarHBondContact O-N 3.12Å; I554-I558 VanDerWaalsContact O-N 3.13Å
555N59.8Low58.6Low88 Ų88124.9 Ų124.947%0.47163%0.629SS.*Hα-helixtrans-64.1-34.3176.1-72.1-11.6000112.3I551 C557 I558 C559I551-N555 WeakPolarHBondContact O-CB 3.35Å; I551-N555 PolarHBondContact O-N 3.15Å; N555-C557 VanDerWaalsContact C-N 3.34Å; N555-C557 PolarHBondContact O-N 3.39Å; N555-I558 PolarHBondContact O-N 3.28Å; N555-C559 WeakPolarHBondContact O-CB 3.43Å; N555-C559 PolarHBondContact O-N 3.33Å; N555-C559 VanDerWaalsContact O-N 3.16Å; N555-C559 PolarHBondContact O-SG 2.96Å
556S55.7Low57.4Low79 Ų79121.9 Ų121.955%0.55263%0.631SS**Hα-helixtrans-65.3-35.7173.9-163.20000112.6R552 S553 I554 I558R552-S556 WeakPolarHBondContact O-CB 3.23Å; R552-S556 PolarHBondContact O-N 3.29Å; S553-S556 WeakPolarHBondContact O-CB 3.29Å; S553-S556 PolarHBondContact O-N 3.12Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.4Å; S556-I558 VanDerWaalsContact C-N 3.34Å
557C51.4Low56.1Low102 Ų102122.5 Ų122.569%0.68964%0.641SS**Hα-helixtrans-73.6-23.6175.9-64.50000113.5S553 I554 N555S553-C557 PolarHBondContact O-N 3.41Å; S553-C557 PolarHBondContact O-SG 2.87Å; S553-C557 VanDerWaalsContact O-SG 3.34Å; I554-C557 PolarHBondContact O-N 3.14Å; I554-C557 VanDerWaalsContact O-N 3.16Å; N555-C557 VanDerWaalsContact C-N 3.34Å; N555-C557 PolarHBondContact O-N 3.39Å
558I53.2Low54.3Low126 Ų126120.3 Ų120.365%0.64665%0.647SS**Hα-helixtrans-83.9-24.8178.1-66.4165.7000111.6I554 N555 S556I554-I558 HydrophobicContact CG2-CD1 3.81Å; I554-I558 WeakPolarHBondContact O-CG1 3.14Å; I554-I558 PolarHBondContact O-N 3.12Å; I554-I558 VanDerWaalsContact O-N 3.13Å; N555-I558 PolarHBondContact O-N 3.28Å; S556-I558 VanDerWaalsContact C-N 3.34Å
559C43.1Very low52.7Low99 Ų99124 Ų12467%0.66966%0.656SS**SBendtrans-101.912.5-174.1-67.30000115.6N555 P561N555-C559 WeakPolarHBondContact O-CB 3.43Å; N555-C559 PolarHBondContact O-N 3.33Å; N555-C559 VanDerWaalsContact O-N 3.16Å; N555-C559 PolarHBondContact O-SG 2.96Å; C559-P561 WeakPolarHBondContact O-CD 3.38Å
560S35.6Very low51Low91 Ų91128.2 Ų128.264%0.63667%0.673SS**  trans-91.5102.5170.1-72.40000111.1R562S560-R562 PolarHBondContact O-N 3.05Å
561P42.3Very low49.3Very low107 Ų107133 Ų13370%0.69569%0.694SS**  trans-64.5130.3165.328.5-33.4000109.3C559 E563C559-P561 WeakPolarHBondContact O-CD 3.38Å; P561-E563 PolarHBondContact O-N 3.25Å; P561-E563 VanDerWaalsContact O-N 3.11Å
562R44.3Very low47.7Very low236 Ų236142.5 Ų142.589%0.89173%0.733SS**  trans-75.891.8165.5-81.8-177.9166.6-174.9-4.8108.5S560 T564S560-R562 PolarHBondContact O-N 3.05Å; R562-T564 VanDerWaalsContact C-N 3.33Å; R562-T564 PolarHBondContact O-N 3.11Å
563E41.3Very low46.5Very low173 Ų173140.7 Ų140.781%0.80874%0.736SS**  trans-73.591.3163.3-70.4-170.5153.200109.1P561 E565P561-E563 PolarHBondContact O-N 3.25Å; P561-E563 VanDerWaalsContact O-N 3.11Å; E563-E565 VanDerWaalsContact C-N 3.35Å; E563-E565 PolarHBondContact O-N 3.33Å
564T42.3Very low45.3Very low122 Ų122144.3 Ų144.375%0.74875%0.747SS**  trans-82.782164.4470000109.2R562 V566R562-T564 VanDerWaalsContact C-N 3.33Å; R562-T564 PolarHBondContact O-N 3.11Å; T564-V566 PolarHBondContact O-N 3.03Å
565E36.5Very low44Very low183 Ų183147.3 Ų147.386%0.85576%0.763SS**  trans-66.4119.2163.5-79.2-160.5126.500109.7E563E563-E565 VanDerWaalsContact C-N 3.35Å; E563-E565 PolarHBondContact O-N 3.33Å
566V43.1Very low43.1Very low119 Ų119150.8 Ų150.872%0.72178%0.781SS**  trans-94.9116.5171.21780000107.9T564 V568T564-V566 PolarHBondContact O-N 3.03Å; V566-V568 PolarHBondContact O-N 3.15Å
567P45.3Very low42.3Very low117 Ų117155.3 Ų155.376%0.7680%0.795SS**  trans-74.2101179.328.8-33.3000110.6R569P567-R569 PolarHBondContact O-N 3.05Å
568V38.6Very low41.7Very low132 Ų132158.8 Ų158.880%0.880%0.802SS**  trans-66.7103.4169.2176.80000108.8V566 Q570V566-V568 PolarHBondContact O-N 3.15Å; V568-Q570 PolarHBondContact O-N 3.29Å; V568-Q570 VanDerWaalsContact O-N 3.15Å
569R38.3Very low40.8Very low235 Ų235161.1 Ų161.189%0.88781%0.813SS**  trans-69.4108.1167.9-79.8-169.3172.2-173.4-0.6109.5P567 Q571P567-R569 PolarHBondContact O-N 3.05Å; R569-Q571 PolarHBondContact O-N 3.26Å
570Q40.7Very low40.7Very low185 Ų185165.9 Ų165.986%0.86482%0.824SS**  trans-55.5119.8158.4-78.9-81.318.200108.9V568V568-Q570 PolarHBondContact O-N 3.29Å; V568-Q570 VanDerWaalsContact O-N 3.15Å
571Q40.1Very low41.1Very low183 Ų183172.2 Ų172.286%0.85584%0.84SS**  trans-98.8134173-165.9168.12.700108.5R569R569-Q571 PolarHBondContact O-N 3.26Å
572K40.4Very low41Very low274 Ų274178.1 Ų178.1100%1.19185%0.853SS**  trans-80.10-176.6-179.7-177.6176.2-176.50112

Retrieved 572 of 572 residues in 238.6 ms (Link to these results)