A0A5F7ZKZ6_MACMU Loading...

Polyhomeotic homolog 1

AlphaFold DB , UniProt , Accession A0A5F7ZKZ6, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PHC1, Length 1,019 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
1M32.7Very low33.7Very low249 Ų249149.5 Ų149.5100%1.22780%0.801SS**  0120.20-57.3-179.7-71.700106.5
2G33.9Very low35.4Very low67 Ų67146.8 Ų146.869%0.69180%0.797SS**  cis152.1146.9-4.800000110.7
3L33.8Very low34.9Very low152 Ų152154.2 Ų154.280%0.79681%0.807SS**  trans72.2137.1179.3-49.9177.2000113.6
4E34Very low34.8Very low168 Ų168151.4 Ų151.479%0.78580%0.8SS**  cis74.9147.744.5-64.8-177.576.600113
5S35.8Very low34.6Very low96 Ų96147.7 Ų147.767%0.67180%0.8SS**  cis-169177.7-13.8-88.70000107.4
6E31.7Very low34.4Very low154 Ų154149.6 Ų149.672%0.7281%0.806SS**  cis-158.3158.66.9-143.7-169.171.600112.7
7H31.8Very low34.2Very low160 Ų160150.7 Ų150.774%0.74181%0.808SS**  trans51.8179.1142.1-80.92.5000126
8Q29.8Very low33.7Very low168 Ų168153.2 Ų153.279%0.78581%0.814SS**  trans-101.4-151.2-172.9-56.2169.8-95.900109
9P50.1Low34Very low103 Ų103151.9 Ų151.967%0.66981%0.813SS**  cis-142.4172.6-8.237.9-15.5000118.7
10W29.4Very low33.7Very low253 Ų253154.1 Ų154.196%0.95882%0.818SS**  trans48134.9142.3-65.127.9000123
11G27.5Very low33.7Very low75 Ų75152 Ų15277%0.77382%0.816SS**  trans168.6131.4156.300000116.4
12P54.8Low33.5Very low116 Ų116148 Ų14875%0.75379%0.794SS**  trans-110.6179.9177.541.8-34.4000113.7
13W28.6Very low33.4Very low243 Ų243152.5 Ų152.592%0.9280%0.797SS**  trans-174.2-175.5139.5-93113.4000110.7
14T32.9Very low33.3Very low115 Ų115152.3 Ų152.371%0.70680%0.797SS**  trans-130.6137.9-149.953.40000117.9
15A32.7Very low33.1Very low97 Ų97149.7 Ų149.780%0.80280%0.797SS**  trans35.8138.5138.900000123.5
16I30.3Very low32.9Very low177 Ų177152.4 Ų152.491%0.90880%0.804SS**  trans-158.6162.5138-106.8160000109.4
17M30.8Very low32.8Very low169 Ų169150.1 Ų150.183%0.83381%0.805SS**  trans-101.9162.3-178-43.2177.8-156.500112
18E26.8Very low32.6Very low195 Ų195148.3 Ų148.391%0.91181%0.805SS**  -162.3-175.2117.1-110.8179.2139.200111.7
19T39.3Very low32.6Very low129 Ų129148.2 Ų148.279%0.79181%0.81SS**  trans-125.6143-152.6550000115.8
20E26.5Very low31.5Very low195 Ų195146.8 Ų146.891%0.91181%0.814SS**  trans-146.6178.8152.263.5-172.4113.900111.5
21S33.9Very low31.6Very low112 Ų112140.9 Ų140.978%0.78381%0.812SS**  trans-126.8166.4-149.4-64.80000116
22E29.6Very low31.6Very low163 Ų163142.9 Ų142.976%0.76281%0.814SS**  trans97.6129.9153.6-63.8-148.262.800121.9
23Q31.6Very low30.7Very low162 Ų162142.9 Ų142.976%0.75782%0.817SS**  trans69.198.5148-65.6179.945.200122.4
24N31.9Very low31Very low149 Ų149136.7 Ų136.780%0.79781%0.81SS**  65.598.9122.2-172.229.2000121
25S29.6Very low30.8Very low113 Ų113135.5 Ų135.579%0.7982%0.821SS**  trans-172.9161.1133.7-87.80000114.5
26N30.5Very low31Very low152 Ų152133.9 Ų133.981%0.81381%0.814SS**  trans-40.4143.8-179.3-60.4-23.6000118
27S29.5Very low31.2Very low107 Ų107131.4 Ų131.475%0.74881%0.812SS**  173.3156.6114.7-80.90000117.1
28T29.4Very low31.6Very low121 Ų121128.6 Ų128.674%0.74281%0.809SS**  trans67.9129.8150.144.60000124.1
29N29.8Very low32.3Very low166 Ų166130 Ų13089%0.88881%0.806SS**  trans52.5133.7141.3-68.7-17.3000122.4
30G26.6Very low32.4Very low73 Ų73127.5 Ų127.575%0.75379%0.792SS**  trans-177.510170.900000119.7S32G30-S32 PolarHBondContact O-N 3.31Å
31S31Very low33.3Very low129 Ų129125.9 Ų125.990%0.90279%0.785SS**  trans-76.7113.4-179.5-590000112.5
32S27.2Very low34.1Very low118 Ų118126.1 Ų126.183%0.82578%0.776SS**  trans-136.375.6174.470.40000113.4G30G30-S32 PolarHBondContact O-N 3.31Å
33S36.9Very low34.8Very low116 Ų116122.3 Ų122.381%0.81177%0.772SS**  trans-102.686.7-178.653.20000113.4
34S34.1Very low35.6Very low112 Ų112123.1 Ų123.178%0.78378%0.776SS**  trans-158.584.7161.5630000113.1G36S34-G36 PolarHBondContact O-N 3.29Å
35G29.5Very low36.5Very low90 Ų90117.7 Ų117.793%0.92875%0.747SS**  trans-71.254.4177.800000115.1S37G35-S37 PolarHBondContact O-N 2.72Å
36G35.9Very low38.5Very low63 Ų63115 Ų11565%0.64973%0.728SS**  trans-64.3128.5165.100000109.8S34 S38S34-G36 PolarHBondContact O-N 3.29Å; G36-S38 PolarHBondContact O-N 2.95Å
37S35Very low40.3Very low126 Ų126114.5 Ų114.588%0.88172%0.724SS**  trans-70.988.9-169-169.60000113.5G35G35-S37 PolarHBondContact O-N 2.72Å
38S38.5Very low42.2Very low110 Ų110118.4 Ų118.477%0.76972%0.724SS**PPolyproline II helixtrans-78130.5155.1-71.40000109.1G36 P40G36-S38 PolarHBondContact O-N 2.95Å; S38-P40 WeakPolarHBondContact O-CD 3.44Å
39R41.9Very low44.4Very low224 Ų224116.8 Ų116.885%0.84571%0.708SS**PPolyproline II helixtrans-76.9117.8-178.3176.5-172.8178.2-158.60.4109.9
40P42.5Very low46.6Very low76 Ų76114.3 Ų114.349%0.49469%0.686SS.*PPolyproline II helixtrans-67.3144.4178.927.3-34.3000111.9S38 I42 M45S38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-I42 PolarHBondContact O-N 3.28Å; P40-M45 HydrophobicContact CB-CE 4.16Å; P40-M45 HydrophobicContact CB-SD 4.29Å; P40-M45 HydrophobicContact CG-CE 4.36Å
41Q44.3Very low48.8Very low162 Ų162116.9 Ų116.976%0.75768%0.679SS**  trans-77.5102.1172.1-78.3174.3-8800110A43 Q44Q41-A43 PolarHBondContact O-N 2.88Å; Q41-Q44 PolarHBondContact O-N 2.94Å
42I50.8Low50.6Low116 Ų116112.7 Ų112.760%0.59565%0.652SS**THydrogen-bonded Turntrans-54.3-15.8-179.4-63.7167.7000113.6P40 R50P40-I42 PolarHBondContact O-N 3.28Å; I42-R50 PolarHBondContact O-NH1 2.85Å
43A45.2Very low52.9Low84 Ų84110.5 Ų110.569%0.69463%0.633SS**THydrogen-bonded Turntrans-64.3-38.8178.400000114.2Q41Q41-A43 PolarHBondContact O-N 2.88Å
44Q48.7Very low54.6Low178 Ų178111.9 Ų111.983%0.83263%0.627SS**THydrogen-bonded Turntrans-107.9-1.2-169.3-75.9-170.4-30.800115.8Q41 S46Q41-Q44 PolarHBondContact O-N 2.94Å; Q44-S46 PolarHBondContact O-N 3.46Å
45M49.6Very low56Low36 Ų36109 Ų10918%0.17761%0.61CS.*  trans-55.5139.2173.4-12183.4164.900111.4P40 E49 R50 V53P40-M45 HydrophobicContact CB-CE 4.16Å; P40-M45 HydrophobicContact CB-SD 4.29Å; P40-M45 HydrophobicContact CG-CE 4.36Å; M45-E49 HydrophobicContact CE-CG 4.26Å; M45-E49 HydrophobicContact CG-CB 4.15Å; M45-E49 HydrophobicContact CG-CG 3.76Å; M45-R50 HydrophobicContact CB-CG 3.91Å; M45-R50 HydrophobicContact CG-CG 4.3Å; M45-R50 PolarHBondContact O-NE 2.91Å; M45-R50 PolarHBondContact O-NH2 3.11Å; M45-V53 HydrophobicContact CE-CG2 4.35Å
46S71.1Confident58Low57 Ų57110 Ų11040%0.39959%0.593SS.*  trans-63.5160.4169.371.70000111.3Q44 Y48 E49 R50Q44-S46 PolarHBondContact O-N 3.46Å; S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact O-N 2.95Å; S46-E49 PolarHBondContact N-OE2 2.87Å; S46-E49 PolarHBondContact O-N 3.35Å; S46-E49 WeakPolarHBondContact OG-CB 3.06Å; S46-E49 PolarHBondContact OG-N 2.67Å; S46-E49 VanDerWaalsContact OG-N 3.13Å; S46-R50 PolarHBondContact O-N 3.27Å
47L68.4Low59.6Low140 Ų140113.4 Ų113.473%0.73359%0.592SS**Hα-helixtrans-63-43179.7-146171.7000110.4R50 Q51L47-R50 PolarHBondContact O-N 3.16Å; L47-Q51 PolarHBondContact O-N 2.69Å
48Y70.6Confident60.6Low190 Ų190110.2 Ų110.275%0.74557%0.574SS**Hα-helixtrans-58.1-46.8173.9-176.7-97.2000112.7S46 Q51 A52S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-Y48 PolarHBondContact O-N 2.95Å; Y48-Q51 CarbonylContact O-C 3.56Å; Y48-Q51 WeakPolarHBondContact O-CB 3.43Å; Y48-Q51 PolarHBondContact O-N 3.1Å; Y48-Q51 VanDerWaalsContact O-N 3.13Å; Y48-A52 PolarHBondContact O-N 3.13Å
49E74.9Confident61.2Low87 Ų87109.7 Ų109.741%0.40756%0.562SS.*Hα-helixtrans-68.6-36.3-179-174.1-176.6-177.200112.5M45 S46 Q51 A52 V53M45-E49 HydrophobicContact CE-CG 4.26Å; M45-E49 HydrophobicContact CG-CB 4.15Å; M45-E49 HydrophobicContact CG-CG 3.76Å; S46-E49 PolarHBondContact N-OE2 2.87Å; S46-E49 PolarHBondContact O-N 3.35Å; S46-E49 WeakPolarHBondContact OG-CB 3.06Å; S46-E49 PolarHBondContact OG-N 2.67Å; S46-E49 VanDerWaalsContact OG-N 3.13Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 3.18Å; E49-A52 PolarHBondContact O-N 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 3.47Å; E49-V53 PolarHBondContact O-N 2.93Å
50R75.3Confident61.9Low113 Ų113107.1 Ų107.143%0.42656%0.559SS.*Hα-helixtrans-60.2-42.6168.4-104.8175.4-78.8-154.7-1111.6I42 M45 S46 L47 Q54I42-R50 PolarHBondContact O-NH1 2.85Å; M45-R50 HydrophobicContact CB-CG 3.91Å; M45-R50 HydrophobicContact CG-CG 4.3Å; M45-R50 PolarHBondContact O-NE 2.91Å; M45-R50 PolarHBondContact O-NH2 3.11Å; S46-R50 PolarHBondContact O-N 3.27Å; L47-R50 PolarHBondContact O-N 3.16Å; R50-Q54 WeakPolarHBondContact O-CB 3.35Å; R50-Q54 PolarHBondContact O-N 2.71Å
51Q73.9Confident62.4Low128 Ų128113.4 Ų113.460%0.59857%0.573SS**Hα-helixtrans-67.8-38.6177.9-164.3169.66.200112L47 Y48 E49 Q54 A55L47-Q51 PolarHBondContact O-N 2.69Å; Y48-Q51 CarbonylContact O-C 3.56Å; Y48-Q51 WeakPolarHBondContact O-CB 3.43Å; Y48-Q51 PolarHBondContact O-N 3.1Å; Y48-Q51 VanDerWaalsContact O-N 3.13Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 3.18Å; Q51-Q54 PolarHBondContact O-N 3.39Å; Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.24Å
52A68.6Low62.7Low41 Ų41111.8 Ų111.834%0.33957%0.566SS.*Hα-helixtrans-63.1-46.7173.800000112.6Y48 E49 Q54 A55 L56Y48-A52 PolarHBondContact O-N 3.13Å; E49-A52 PolarHBondContact O-N 3.3Å; A52-Q54 VanDerWaalsContact C-N 3.3Å; A52-Q54 PolarHBondContact O-N 3.15Å; A52-A55 PolarHBondContact O-N 2.83Å; A52-L56 WeakPolarHBondContact O-CB 3.38Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 2.89Å
53V74.9Confident62.7Low71 Ų71112.5 Ų112.543%0.4358%0.578SS.*Hα-helixtrans-62.2-39.1175.1171.50000111.1M45 E49 L56 Q57M45-V53 HydrophobicContact CE-CG2 4.35Å; E49-V53 WeakPolarHBondContact O-CG2 3.47Å; E49-V53 PolarHBondContact O-N 2.93Å; V53-L56 PolarHBondContact O-N 2.9Å; V53-Q57 WeakPolarHBondContact O-CB 3.44Å; V53-Q57 PolarHBondContact O-N 3.36Å
54Q73.9Confident63Low145 Ų145112.9 Ų112.968%0.67857%0.568SS**Hα-helixtrans-67.6-37.3177.1-166168.48.600112.3R50 Q51 A52 A58R50-Q54 WeakPolarHBondContact O-CB 3.35Å; R50-Q54 PolarHBondContact O-N 2.71Å; Q51-Q54 PolarHBondContact O-N 3.39Å; A52-Q54 VanDerWaalsContact C-N 3.3Å; A52-Q54 PolarHBondContact O-N 3.15Å; Q54-A58 WeakPolarHBondContact O-CB 3.31Å; Q54-A58 PolarHBondContact O-N 3.41Å
55A63.6Low63.3Low53 Ų53105.7 Ų105.744%0.43854%0.539SS..Hα-helixtrans-66.7-45.2173.600000112.4Q51 A52 Q57 A58 L59Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.24Å; A52-A55 PolarHBondContact O-N 2.83Å; A55-Q57 VanDerWaalsContact C-N 3.32Å; A55-Q57 PolarHBondContact O-N 3.17Å; A55-A58 WeakPolarHBondContact O-CB 3.23Å; A55-A58 PolarHBondContact O-N 3.09Å; A55-L59 PolarHBondContact O-N 2.86Å
56L70.3Confident63.6Low109 Ų109107.8 Ų107.857%0.57156%0.562SS**Hα-helixtrans-60.5-41175.1-74.7164.8000112A52 V53 A58 L59 Q60A52-L56 WeakPolarHBondContact O-CB 3.38Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 2.89Å; V53-L56 PolarHBondContact O-N 2.9Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-L59 PolarHBondContact O-N 3.16Å; L56-Q60 PolarHBondContact O-N 3.05Å; L56-Q60 VanDerWaalsContact O-N 3.11Å
57Q69.1Low63.2Low135 Ų135111.7 Ų111.763%0.63157%0.574SS**Hα-helixtrans-73.9-23.3177.3-170.6150.276.900113.2V53 A55V53-Q57 WeakPolarHBondContact O-CB 3.44Å; V53-Q57 PolarHBondContact O-N 3.36Å; A55-Q57 VanDerWaalsContact C-N 3.32Å; A55-Q57 PolarHBondContact O-N 3.17Å
58A56.1Low62.8Low59 Ų59108 Ų10849%0.48855%0.551SS.*Hα-helixtrans-72.4-43.3167.900000111.9Q54 A55 L56 Q60 R61Q54-A58 WeakPolarHBondContact O-CB 3.31Å; Q54-A58 PolarHBondContact O-N 3.41Å; A55-A58 WeakPolarHBondContact O-CB 3.23Å; A55-A58 PolarHBondContact O-N 3.09Å; L56-A58 VanDerWaalsContact C-N 3.34Å; A58-Q60 PolarHBondContact O-N 3.36Å; A58-R61 PolarHBondContact O-N 3.44Å; A58-R61 VanDerWaalsContact O-N 3.11Å
59L51.8Low62.4Low99 Ų99105.1 Ų105.152%0.51854%0.543SS..Hα-helixtrans-59.5-42.6177.1-78.1162.1000112.3A55 L56 R61 Q62A55-L59 PolarHBondContact O-N 2.86Å; L56-L59 PolarHBondContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.25Å; L59-R61 VanDerWaalsContact O-N 3.09Å; L59-Q62 PolarHBondContact O-N 2.88Å
60Q56.3Low62.3Low171 Ų171107.2 Ų107.280%0.79955%0.552SS**THydrogen-bonded Turntrans-65.4-9.2177-74.5-170-6.500114.9L56 A58L56-Q60 PolarHBondContact O-N 3.05Å; L56-Q60 VanDerWaalsContact O-N 3.11Å; A58-Q60 PolarHBondContact O-N 3.36Å
61R53.9Low62.2Low208 Ų208106.9 Ų106.979%0.78556%0.555SS**THydrogen-bonded Turntrans-87.70.7176.1-72.5-170.164.7110.43.1114.6A58 L59A58-R61 PolarHBondContact O-N 3.44Å; A58-R61 VanDerWaalsContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 3.25Å; L59-R61 VanDerWaalsContact O-N 3.09Å
62Q50.2Low62.4Low128 Ų128106.3 Ų106.360%0.59855%0.551SS**  trans-112.898.4-179.8-70.7-65.4-10.300111.6L59 N64 A65L59-Q62 PolarHBondContact O-N 2.88Å; Q62-N64 PolarHBondContact O-N 3.47Å; Q62-A65 HydrophobicContact CB-CB 4.3Å; Q62-A65 VanDerWaalsContact O-CB 3.31Å; Q62-A65 WeakPolarHBondContact O-CB 3.45Å; Q62-A65 PolarHBondContact O-N 3.06Å
63P51.1Low62.6Low131 Ų131110.3 Ų110.385%0.85156%0.564SS**THydrogen-bonded Turntrans-67.5-10.6-173.427.3-35.2000114.6
64N51.4Low62.7Low92 Ų92110.4 Ų110.449%0.49256%0.562SS.*THydrogen-bonded Turntrans-100.67.5173.1-97.9-24000113.8Q62 A66 Q67 Y68Q62-N64 PolarHBondContact O-N 3.47Å; N64-A66 VanDerWaalsContact C-N 3.26Å; N64-A66 PolarHBondContact O-N 3.29Å; N64-Q67 WeakPolarHBondContact O-CB 3.29Å; N64-Q67 PolarHBondContact O-N 3.29Å; N64-Y68 HydrophobicContact CB-CD2 4.08Å; N64-Y68 HydrophobicContact CB-CE2 3.99Å; N64-Y68 WeakPolarHBondContact O-CD2 3.35Å; N64-Y68 PolarHBondContact O-N 3.07Å
65A53.8Low62.8Low26 Ų26108.1 Ų108.122%0.21555%0.551CS.*Hα-helixtrans-54.3-39.7-17600000113.2Q62 Y68 F69Q62-A65 HydrophobicContact CB-CB 4.3Å; Q62-A65 VanDerWaalsContact O-CB 3.31Å; Q62-A65 WeakPolarHBondContact O-CB 3.45Å; Q62-A65 PolarHBondContact O-N 3.06Å; A65-Y68 PolarHBondContact O-N 3.25Å; A65-F69 WeakPolarHBondContact O-CD2 3.4Å; A65-F69 PolarHBondContact O-N 2.91Å
66A57.3Low63.3Low81 Ų81110.3 Ų110.367%0.66955%0.553SS**Hα-helixtrans-64.1-40176.400000113.2N64 F69 H70N64-A66 VanDerWaalsContact C-N 3.26Å; N64-A66 PolarHBondContact O-N 3.29Å; A66-F69 PolarHBondContact O-N 3.09Å; A66-H70 WeakPolarHBondContact O-CB 3.49Å; A66-H70 PolarHBondContact O-N 3.28Å
67Q62Low63.2Low139 Ų139111.6 Ų111.665%0.6556%0.556SS**Hα-helixtrans-62.9-43.3172.7-80-93.3-47.700111.1N64 F69 H70 Q71N64-Q67 WeakPolarHBondContact O-CB 3.29Å; N64-Q67 PolarHBondContact O-N 3.29Å; Q67-F69 PolarHBondContact O-N 2.78Å; Q67-H70 PolarHBondContact O-N 2.99Å; Q67-Q71 VanDerWaalsContact O-CB 3.31Å; Q67-Q71 WeakPolarHBondContact O-CB 3.42Å; Q67-Q71 PolarHBondContact O-N 3.03Å
68Y59.8Low63.2Low62 Ų62109.8 Ų109.824%0.24355%0.55CS..Hα-helixtrans-64.7-37.1175-79.9-75.5000113.1N64 A65 F72 H419 Q422N64-Y68 HydrophobicContact CB-CD2 4.08Å; N64-Y68 HydrophobicContact CB-CE2 3.99Å; N64-Y68 WeakPolarHBondContact O-CD2 3.35Å; N64-Y68 PolarHBondContact O-N 3.07Å; A65-Y68 PolarHBondContact O-N 3.25Å; Y68-F72 WeakPolarHBondContact O-CB 3.49Å; Y68-F72 PolarHBondContact O-N 3.06Å; Y68-H419 AromaticContact CE1-NE2 3.39Å; Y68-H419 WeakPolarHBondContact CE1-NE2 3.28Å; Y68-Q422 PolarHBondContact OH-NE2 3.23Å
69F62.7Low63.6Low130 Ų130109.8 Ų109.857%0.5755%0.546SS*.Hα-helixtrans-67.6-41.5174.1-96-75.8000112.1A65 A66 Q67 F72 M73A65-F69 WeakPolarHBondContact O-CD2 3.4Å; A65-F69 PolarHBondContact O-N 2.91Å; A66-F69 PolarHBondContact O-N 3.09Å; Q67-F69 PolarHBondContact O-N 2.78Å; F69-F72 PolarHBondContact O-N 3.44Å; F69-M73 WeakPolarHBondContact O-CB 3.31Å; F69-M73 VanDerWaalsContact O-CG 3.26Å; F69-M73 WeakPolarHBondContact O-CG 3.45Å; F69-M73 PolarHBondContact O-N 2.97Å
70H71.7Confident64.2Low131 Ų131108.8 Ų108.861%0.60654%0.541SS*.Hα-helixtrans-66.8-40176.6-153.882.4000111.7A66 Q67 M73 L74A66-H70 WeakPolarHBondContact O-CB 3.49Å; A66-H70 PolarHBondContact O-N 3.28Å; Q67-H70 PolarHBondContact O-N 2.99Å; H70-M73 PolarHBondContact O-N 2.86Å; H70-L74 PolarHBondContact O-N 3.45Å
71Q73.3Confident64.5Low105 Ų105103.6 Ų103.649%0.49153%0.528SS..Hα-helixtrans-65.5-37172.9-170.169.888.700112.2Q67 Q75Q67-Q71 VanDerWaalsContact O-CB 3.31Å; Q67-Q71 WeakPolarHBondContact O-CB 3.42Å; Q67-Q71 PolarHBondContact O-N 3.03Å; Q71-Q75 VanDerWaalsContact O-CB 3.27Å; Q71-Q75 WeakPolarHBondContact O-CB 3.45Å; Q71-Q75 PolarHBondContact O-N 3.42Å
72F78Confident64.9Low116 Ų11699.4 Ų99.451%0.50952%0.517SS..Hα-helixtrans-68.9-42175.5-179.7-94.2000112Y68 F69 Q75 Q76Y68-F72 WeakPolarHBondContact O-CB 3.49Å; Y68-F72 PolarHBondContact O-N 3.06Å; F69-F72 PolarHBondContact O-N 3.44Å; F72-Q75 PolarHBondContact O-N 2.96Å; F72-Q76 VanDerWaalsContact O-CB 3.28Å; F72-Q76 WeakPolarHBondContact O-CB 3.35Å; F72-Q76 PolarHBondContact O-N 3.19Å
73M74.3Confident65.5Low126 Ų12698.6 Ų98.662%0.62152%0.516SS*.Hα-helixtrans-56.5-51.3171.9-74.6-79.6-73.100110.8F69 H70 Q75 Q76 Q77F69-M73 WeakPolarHBondContact O-CB 3.31Å; F69-M73 VanDerWaalsContact O-CG 3.26Å; F69-M73 WeakPolarHBondContact O-CG 3.45Å; F69-M73 PolarHBondContact O-N 2.97Å; H70-M73 PolarHBondContact O-N 2.86Å; M73-Q75 PolarHBondContact O-N 2.85Å; M73-Q76 PolarHBondContact O-N 3.4Å; M73-Q77 WeakPolarHBondContact O-CB 3.4Å; M73-Q77 PolarHBondContact O-N 2.8Å
74L76Confident65.9Low73 Ų7398.7 Ų98.738%0.38251%0.505SS..Hα-helixtrans-59-43.5174.8-81.5163000112.3H70 Q76 Q77 L78H70-L74 PolarHBondContact O-N 3.45Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.15Å; L74-Q77 PolarHBondContact O-N 3.29Å; L74-L78 VanDerWaalsContact O-CD1 3.31Å; L74-L78 WeakPolarHBondContact O-CD1 3.38Å; L74-L78 PolarHBondContact O-N 3.13Å
75Q75.1Confident66.4Low96 Ų9697.4 Ų97.445%0.44950%0.503SS..Hα-helixtrans-66.6-34.7178.8-172.860.881.300112.5Q71 F72 M73 S79Q71-Q75 VanDerWaalsContact O-CB 3.27Å; Q71-Q75 WeakPolarHBondContact O-CB 3.45Å; Q71-Q75 PolarHBondContact O-N 3.42Å; F72-Q75 PolarHBondContact O-N 2.96Å; M73-Q75 PolarHBondContact O-N 2.85Å; Q75-S79 VanDerWaalsContact O-CB 3.23Å; Q75-S79 WeakPolarHBondContact O-CB 3.47Å; Q75-S79 PolarHBondContact O-N 2.85Å
76Q75.4Confident66.8Low100 Ų100101 Ų10147%0.46752%0.519SS..Hα-helixtrans-75.1-31.7175.5-175.2136.875.500111.7F72 M73 L74 S79 N80F72-Q76 VanDerWaalsContact O-CB 3.28Å; F72-Q76 WeakPolarHBondContact O-CB 3.35Å; F72-Q76 PolarHBondContact O-N 3.19Å; M73-Q76 PolarHBondContact O-N 3.4Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.15Å; Q76-S79 PolarHBondContact O-N 3.13Å; Q76-N80 WeakPolarHBondContact O-CB 3.26Å; Q76-N80 PolarHBondContact O-N 3Å; Q76-N80 PolarHBondContact O-ND2 2.66Å
77Q67.6Low67.1Low136 Ų13699.3 Ų99.364%0.63650%0.504SS*.Hα-helixtrans-69.8-45.2172.5-161.5171.518.300111.1M73 L74 S79 N80 A81M73-Q77 WeakPolarHBondContact O-CB 3.4Å; M73-Q77 PolarHBondContact O-N 2.8Å; L74-Q77 PolarHBondContact O-N 3.29Å; Q77-S79 VanDerWaalsContact C-N 3.34Å; Q77-S79 PolarHBondContact O-N 3.41Å; Q77-N80 PolarHBondContact O-N 2.94Å; Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 3.13Å
78L70.2Confident66.8Low96 Ų9695.3 Ų95.350%0.50350%0.495SS..Hα-helixtrans-60.9-41.7169.5-94.273.9000111.6L74 N80 A81 Q82L74-L78 VanDerWaalsContact O-CD1 3.31Å; L74-L78 WeakPolarHBondContact O-CD1 3.38Å; L74-L78 PolarHBondContact O-N 3.13Å; L78-N80 VanDerWaalsContact C-N 3.34Å; L78-N80 PolarHBondContact O-N 3.22Å; L78-A81 PolarHBondContact O-N 2.77Å; L78-Q82 WeakPolarHBondContact O-CB 3.5Å; L78-Q82 WeakPolarHBondContact O-CG 3.17Å; L78-Q82 PolarHBondContact O-N 3.46Å
79S64Low67.2Low60 Ų6096.5 Ų96.542%0.4251%0.509SS..Hα-helixtrans-63.6-38177.4-172.30000112.2Q75 Q76 Q77 L83Q75-S79 VanDerWaalsContact O-CB 3.23Å; Q75-S79 WeakPolarHBondContact O-CB 3.47Å; Q75-S79 PolarHBondContact O-N 2.85Å; Q76-S79 PolarHBondContact O-N 3.13Å; Q77-S79 VanDerWaalsContact C-N 3.34Å; Q77-S79 PolarHBondContact O-N 3.41Å; S79-L83 WeakPolarHBondContact O-CB 3.49Å; S79-L83 PolarHBondContact O-N 2.9Å
80N65.1Low66.9Low78 Ų7896.3 Ų96.342%0.41751%0.509SS..Hα-helixtrans-71.2-38.3174.4-85.7-78.4000111.9Q76 Q77 L78 L83 H84Q76-N80 WeakPolarHBondContact O-CB 3.26Å; Q76-N80 PolarHBondContact O-N 3Å; Q76-N80 PolarHBondContact O-ND2 2.66Å; Q77-N80 PolarHBondContact O-N 2.94Å; L78-N80 VanDerWaalsContact C-N 3.34Å; L78-N80 PolarHBondContact O-N 3.22Å; N80-L83 PolarHBondContact O-N 3.17Å; N80-H84 PolarHBondContact O-N 2.98Å; N80-H84 PolarHBondContact O-ND1 2.93Å
81A61.7Low66.2Low62 Ų6296.7 Ų96.751%0.51251%0.512SS..Hα-helixtrans-63.6-40.3173.500000111.8Q77 L78 H84 S85Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 2.77Å; A81-H84 PolarHBondContact O-N 2.99Å; A81-S85 PolarHBondContact O-N 3.48Å; A81-S85 PolarHBondContact O-OG 3.47Å
82Q62.1Low65.2Low119 Ų11994.6 Ų94.656%0.55651%0.512SS*.Hα-helixtrans-67.8-34.2172.6-72.8-172.1-66.200112.6L78 S85 L86L78-Q82 WeakPolarHBondContact O-CB 3.5Å; L78-Q82 WeakPolarHBondContact O-CG 3.17Å; L78-Q82 PolarHBondContact O-N 3.46Å; Q82-S85 WeakPolarHBondContact CA-OG 3.43Å; Q82-S85 PolarHBondContact O-N 2.83Å; Q82-S85 PolarHBondContact O-OG 3.29Å; Q82-S85 VanDerWaalsContact O-OG 3.09Å; Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 PolarHBondContact O-N 3.11Å
83L62.3Low64.5Low111 Ų11193.1 Ų93.158%0.58151%0.513SS*.Hα-helixtrans-67.3-41.4174-152.378.6000111.4S79 N80 L86 A87S79-L83 WeakPolarHBondContact O-CB 3.49Å; S79-L83 PolarHBondContact O-N 2.9Å; N80-L83 PolarHBondContact O-N 3.17Å; L83-L86 PolarHBondContact O-N 2.81Å; L83-A87 WeakPolarHBondContact O-CB 3.38Å; L83-A87 PolarHBondContact O-N 3.44Å
84H60.4Low63.6Low133 Ų13391.9 Ų91.962%0.61651%0.508SS*.Hα-helixtrans-67.2-37.9174.4-77.278.1000112.1N80 A81 A87 A88N80-H84 PolarHBondContact O-N 2.98Å; N80-H84 PolarHBondContact O-ND1 2.93Å; A81-H84 PolarHBondContact O-N 2.99Å; H84-A87 PolarHBondContact O-N 2.83Å; H84-A88 WeakPolarHBondContact O-CB 3.44Å; H84-A88 PolarHBondContact O-N 2.86Å
85S60.7Low62.3Low65 Ų6591 Ų9146%0.45551%0.511SS..Hα-helixtrans-70.4-34.917572.30000112.4A81 Q82 A88 V89A81-S85 PolarHBondContact O-N 3.48Å; A81-S85 PolarHBondContact O-OG 3.47Å; Q82-S85 WeakPolarHBondContact CA-OG 3.43Å; Q82-S85 PolarHBondContact O-N 2.83Å; Q82-S85 PolarHBondContact O-OG 3.29Å; Q82-S85 VanDerWaalsContact O-OG 3.09Å; S85-A88 PolarHBondContact O-N 2.91Å; S85-V89 WeakPolarHBondContact O-CB 3.47Å; S85-V89 VanDerWaalsContact O-CG2 3.26Å; S85-V89 WeakPolarHBondContact O-CG2 3.35Å; S85-V89 PolarHBondContact O-N 3.01Å
86L64.1Low61Low103 Ų10389.3 Ų89.354%0.53951%0.513SS..Hα-helixtrans-65.3-40.6169.6-91.3160.3000112.4Q82 L83 V89 Q90Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 PolarHBondContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 2.81Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-Q90 WeakPolarHBondContact O-CB 3.36Å; L86-Q90 WeakPolarHBondContact O-CG 3.39Å; L86-Q90 PolarHBondContact O-N 3.3Å
87A62.4Low59.7Low45 Ų4588.4 Ų88.437%0.37252%0.518SS..Hα-helixtrans-64.3-41.9173.900000111.8L83 H84 Q90 Q91L83-A87 WeakPolarHBondContact O-CB 3.38Å; L83-A87 PolarHBondContact O-N 3.44Å; H84-A87 PolarHBondContact O-N 2.83Å; A87-Q90 PolarHBondContact O-N 3.18Å; A87-Q91 WeakPolarHBondContact O-CG 3.49Å; A87-Q91 PolarHBondContact O-N 3.28Å
88A56.9Low58.7Low54 Ų5491.2 Ų91.245%0.44652%0.523SS..Hα-helixtrans-65.2-40.6174.700000112.1H84 S85 Q91 A92H84-A88 WeakPolarHBondContact O-CB 3.44Å; H84-A88 PolarHBondContact O-N 2.86Å; S85-A88 PolarHBondContact O-N 2.91Å; A88-Q91 PolarHBondContact O-N 3.13Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.78Å
89V66.3Low57.6Low88 Ų8894.5 Ų94.553%0.53354%0.535SS..Hα-helixtrans-66.7-37.4174168.50000111.2S85 L86 A92 T93S85-V89 WeakPolarHBondContact O-CB 3.47Å; S85-V89 VanDerWaalsContact O-CG2 3.26Å; S85-V89 WeakPolarHBondContact O-CG2 3.35Å; S85-V89 PolarHBondContact O-N 3.01Å; L86-V89 PolarHBondContact O-N 3.12Å; V89-A92 PolarHBondContact O-N 3.47Å; V89-T93 WeakPolarHBondContact O-CB 3.49Å; V89-T93 PolarHBondContact O-N 3.03Å; V89-T93 PolarHBondContact O-OG1 3.01Å
90Q57.8Low56.6Low125 Ų12595.7 Ų95.758%0.58455%0.549SS*.Hα-helixtrans-65.3-43.3171.7-76.3-176.93.200112L86 A87 T93 I94L86-Q90 WeakPolarHBondContact O-CB 3.36Å; L86-Q90 WeakPolarHBondContact O-CG 3.39Å; L86-Q90 PolarHBondContact O-N 3.3Å; A87-Q90 PolarHBondContact O-N 3.18Å; Q90-T93 PolarHBondContact O-N 2.92Å; Q90-I94 WeakPolarHBondContact O-CB 3.32Å; Q90-I94 WeakPolarHBondContact O-CD1 3.45Å; Q90-I94 VanDerWaalsContact O-CG1 3.23Å; Q90-I94 WeakPolarHBondContact O-CG1 3.48Å; Q90-I94 PolarHBondContact O-N 3.02Å
91Q56.7Low55.4Low140 Ų14096.8 Ų96.865%0.65456%0.562SS**Hα-helixtrans-62-43.3174.1-74.4-179-1.100111.9A87 A88 T93 I94 A95A87-Q91 WeakPolarHBondContact O-CG 3.49Å; A87-Q91 PolarHBondContact O-N 3.28Å; A88-Q91 PolarHBondContact O-N 3.13Å; Q91-T93 VanDerWaalsContact C-N 3.34Å; Q91-T93 PolarHBondContact O-N 3.42Å; Q91-I94 PolarHBondContact O-N 2.98Å; Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 3.16Å
92A52.6Low54Low60 Ų6099 Ų9950%0.49657%0.574SS.*Hα-helixtrans-62.7-38.4173.700000112.4A88 V89 A95 A96A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.78Å; V89-A92 PolarHBondContact O-N 3.47Å; A92-A95 PolarHBondContact O-N 2.89Å; A92-A96 WeakPolarHBondContact O-CB 3.5Å; A92-A96 PolarHBondContact O-N 3.38Å
93T62.6Low52.9Low86 Ų8699.3 Ų99.353%0.52859%0.587SS.*Hα-helixtrans-68.2-39.1175.7-55.40000111.4V89 Q90 Q91 A96 S97V89-T93 WeakPolarHBondContact O-CB 3.49Å; V89-T93 PolarHBondContact O-N 3.03Å; V89-T93 PolarHBondContact O-OG1 3.01Å; Q90-T93 PolarHBondContact O-N 2.92Å; Q91-T93 VanDerWaalsContact C-N 3.34Å; Q91-T93 PolarHBondContact O-N 3.42Å; T93-A96 PolarHBondContact O-N 3.22Å; T93-S97 VanDerWaalsContact O-CB 3.28Å; T93-S97 WeakPolarHBondContact O-CB 3.37Å; T93-S97 PolarHBondContact O-N 2.96Å
94I54.8Low51.4Low100 Ų100102.1 Ų102.151%0.51360%0.602SS.*Hα-helixtrans-67.2-38.1174.5-69.3162.6000110.8Q90 Q91 R98Q90-I94 WeakPolarHBondContact O-CB 3.32Å; Q90-I94 WeakPolarHBondContact O-CD1 3.45Å; Q90-I94 VanDerWaalsContact O-CG1 3.23Å; Q90-I94 WeakPolarHBondContact O-CG1 3.48Å; Q90-I94 PolarHBondContact O-N 3.02Å; Q91-I94 PolarHBondContact O-N 2.98Å; I94-R98 WeakPolarHBondContact O-CG 3.42Å; I94-R98 PolarHBondContact O-N 3.31Å; I94-R98 VanDerWaalsContact O-N 3.15Å
95A49Very low50.2Low55 Ų55101.9 Ų101.946%0.45561%0.61SS.*Hα-helixtrans-67.2-44174.200000112.2Q91 A92 R98 Q99Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 3.16Å; A92-A95 PolarHBondContact O-N 2.89Å; A95-R98 WeakPolarHBondContact O-CB 3.48Å; A95-R98 PolarHBondContact O-N 2.89Å; A95-R98 VanDerWaalsContact O-N 3.15Å; A95-Q99 PolarHBondContact O-N 3.2Å
96A48.2Very low48.7Very low60 Ų60104.8 Ų104.850%0.49663%0.63SS.*Hα-helixtrans-63.7-40.9174.400000111.8A92 T93 R98 Q99 A100A92-A96 WeakPolarHBondContact O-CB 3.5Å; A92-A96 PolarHBondContact O-N 3.38Å; T93-A96 PolarHBondContact O-N 3.22Å; A96-R98 PolarHBondContact O-N 3.5Å; A96-Q99 WeakPolarHBondContact O-CB 3.49Å; A96-Q99 PolarHBondContact O-N 2.95Å; A96-A100 PolarHBondContact O-N 3.05Å
97S48.3Very low47.2Very low80 Ų80106 Ų10656%0.55964%0.643SS**Hα-helixtrans-65.1-20.9175-170.10000113.2T93T93-S97 VanDerWaalsContact O-CB 3.28Å; T93-S97 WeakPolarHBondContact O-CB 3.37Å; T93-S97 PolarHBondContact O-N 2.96Å
98R46.3Very low45.7Very low196 Ų196110.1 Ų110.174%0.7466%0.663SS**Hα-helixtrans-83.5-16.4170.9-75.7176.8171.9-82.31.2113.7I94 A95 A96I94-R98 WeakPolarHBondContact O-CG 3.42Å; I94-R98 PolarHBondContact O-N 3.31Å; I94-R98 VanDerWaalsContact O-N 3.15Å; A95-R98 WeakPolarHBondContact O-CB 3.48Å; A95-R98 PolarHBondContact O-N 2.89Å; A95-R98 VanDerWaalsContact O-N 3.15Å; A96-R98 PolarHBondContact O-N 3.5Å
99Q47.1Very low44.4Very low165 Ų165115.2 Ų115.277%0.77168%0.678SS**Hα-helixtrans-84.1-20.8172.7-67.3-90.8-33.900112.1A95 A96 S101A95-Q99 PolarHBondContact O-N 3.2Å; A96-Q99 WeakPolarHBondContact O-CB 3.49Å; A96-Q99 PolarHBondContact O-N 2.95Å; Q99-S101 VanDerWaalsContact C-N 3.27Å; Q99-S101 PolarHBondContact O-N 3.33Å
100A42.9Very low42.6Very low85 Ų85118.1 Ų118.170%0.70269%0.685SS**SBendtrans-793-178.200000115.5A96A96-A100 PolarHBondContact O-N 3.05Å
101S41.3Very low41.2Very low100 Ų100120.1 Ų120.170%0.69970%0.695SS**  trans-139.377.1-177.4-65.90000112.2Q99Q99-S101 VanDerWaalsContact C-N 3.27Å; Q99-S101 PolarHBondContact O-N 3.33Å
102S32.1Very low39.8Very low109 Ų109119 Ų11976%0.76270%0.697SS**  trans-107.7136.5161.2-70.50000109.7
103P38.6Very low38.6Very low126 Ų126121.5 Ų121.582%0.81871%0.707SS**  trans-80.1138.2-171.731.7-34.7000112.1
104N31.2Very low37.1Very low169 Ų169123.1 Ų123.190%0.90472%0.717SS**  trans-105.8138.2163.8-110.2-16.8000110
105T33.7Very low36Very low129 Ų129123.7 Ų123.779%0.79173%0.725SS**  trans-85.1138.7-173.552.20000113.2
106S30.8Very low34.9Very low125 Ų125130 Ų13087%0.87475%0.745SS**  179.2159.8127.9370000112.1
107T32.3Very low34Very low130 Ų130130.8 Ų130.880%0.79875%0.751SS**  trans-100.3135.8-175.849.10000112.3
108T30Very low33.1Very low130 Ų130131.7 Ų131.780%0.79876%0.758SS**  trans-167.1141.1131.618.70000114.1
109Q29.8Very low32.5Very low162 Ų162129.3 Ų129.376%0.75776%0.758SS**  trans59.4117.7146.5-65.6-178.7300122.9
110Q28.7Very low31.6Very low149 Ų149129.1 Ų129.170%0.69676%0.763SS**  trans66.1117.7130.1-66.3179.8-15.500122.1
111Q28.6Very low30.9Very low167 Ų167133 Ų13378%0.7877%0.771SS**  63.9140.6129.1-61.2176.7-22.700118.4
112T26.9Very low30.1Very low115 Ų115132.5 Ų132.571%0.70677%0.773SS**  cis-158.4156.116.8-190000112.8
113T28.4Very low30.2Very low114 Ų114134.1 Ų134.170%0.69978%0.778SS**  trans48.811015032.10000123.6
114T30.3Very low29.8Very low119 Ų119134.8 Ų134.873%0.7378%0.78SS**  71.3146.8124.652.50000125.2
115T31.4Very low29.5Very low113 Ų113132.5 Ų132.569%0.69378%0.777SS**  trans77.4117.7147.7330000121.9
116Q27Very low29.5Very low187 Ų187131.6 Ų131.687%0.87478%0.783SS**  trans55.9142.8130.5-72.3-176.5-19.800120.8
117A28.2Very low29.5Very low76 Ų76129.9 Ų129.963%0.62878%0.776SS**  cis-164.3177.4-1100000111.4
118S29.5Very low29.6Very low100 Ų100132.2 Ų132.270%0.69978%0.778SS**  trans9.5146.6140.3710000120.4
119I33.7Very low29.6Very low145 Ų145133.1 Ų133.174%0.74478%0.777SS**  cis-172.5171.93.2-118.1169.4000109.7
120N28.7Very low29.7Very low162 Ų162132.2 Ų132.287%0.86678%0.776SS**  trans77.6154.4161.2-82.4-18.7000120.6
121L27.1Very low29.8Very low167 Ų167130 Ų13087%0.87478%0.777SS**  trans-139.6125-168.4171.869.8000108.5
122A25.6Very low29.6Very low89 Ų89132.4 Ų132.474%0.73678%0.779SS**  trans-148.5115.5173.600000112.2
123T33.3Very low30Very low143 Ų143132 Ų13288%0.87778%0.781SS**  trans12.6118152.2-48.20000118.9
124T30.2Very low29.9Very low139 Ų139134.4 Ų134.485%0.85378%0.784SS**  trans-113.8148.6162.544.60000112.6
125S25.9Very low29.7Very low122 Ų122133.8 Ų133.885%0.85379%0.785SS**  trans-92.9172.1179.948.40000112.4
126A33.6Very low29.3Very low110 Ų110134.5 Ų134.591%0.90979%0.789SS**  trans-89.2125-172.200000114.8
127A30.9Very low29.2Very low89 Ų89130.8 Ų130.874%0.73678%0.783SS**  trans-158.8120.815600000106.7
128Q34.4Very low29.3Very low179 Ų179132.8 Ų132.884%0.83679%0.793SS**  74.3156.475-78-154.7-1700115.8
129L30.4Very low29.8Very low148 Ų148133.5 Ų133.578%0.77580%0.795SS**  trans83.3143.5174.3-44.3-174.3000115.8
130I30.7Very low29.4Very low144 Ų144132.1 Ų132.174%0.73880%0.798SS**  cis-152161.7-13.1-124.2167.3000112
131S30.2Very low29.3Very low102 Ų102128.9 Ų128.971%0.71379%0.794SS**  trans-71.7163.4-178.3-37.20000115.7
132R26Very low29.5Very low218 Ų218127.2 Ų127.282%0.82379%0.791SS**  trans-147.4137.9130.6-106.1-177.489152.52.2111.8
133S34.3Very low29.5Very low107 Ų107128.2 Ų128.275%0.74879%0.788SS**  trans-112.4160.1170.652.80000110
134Q27.5Very low29.3Very low164 Ų164128.4 Ų128.477%0.76678%0.783SS**  trans-154.5145.7157.1-109.616513200110.3
135S26Very low29.2Very low106 Ų106127 Ų12774%0.74177%0.774SS**  trans-75.2-179.1170.737.70000109.9
136V21.8Very low29.4Very low128 Ų128129.2 Ų129.278%0.77677%0.771SS**  cis-158.6166.743.1-157.80000111.4
137S26.1Very low29.3Very low108 Ų108128.3 Ų128.376%0.75576%0.758SS**  trans117.1108.1146.1-59.10000117.8
138S29.9Very low29.2Very low118 Ų118129.7 Ų129.783%0.82576%0.757SS**  trans-135.9168.2150.3-47.80000105.8
139P39.3Very low29Very low116 Ų116128.1 Ų128.175%0.75375%0.753SS**  -162.1-174.586.443.7-23.1000117.5
140S25.3Very low29Very low115 Ų115129.1 Ų129.180%0.80476%0.759SS**  trans79.6102.8143.1-650000122.2
141A27.5Very low28.8Very low94 Ų94125.6 Ų125.678%0.77776%0.758SS**  -155.289.6124.900000111.7
142T30.3Very low28.6Very low132 Ų132128.5 Ų128.581%0.8177%0.765SS**  trans41.8132.4139.9-3.90000119.9
143T25.6Very low28.7Very low110 Ų110124.5 Ų124.568%0.67577%0.766SS**  cis-164.7130.143.2-520000113.6
144L28.6Very low28.4Very low147 Ų147125.5 Ų125.577%0.7777%0.767SS**  trans42141.7152-55.2169.5000120.8
145T28.6Very low28.5Very low110 Ų110122.4 Ų122.468%0.67576%0.764SS**  cis-155.2129.714-170000112.5
146Q30.4Very low29Very low169 Ų169123 Ų12379%0.7977%0.765SS**  trans36145.7135.8-63.4-162.290.200122.7
147S31.3Very low30Very low90 Ų90122.8 Ų122.863%0.62977%0.766SS**  cis-165.9165.37.1-121.30000115.9
148V29.8Very low30.1Very low118 Ų118125.9 Ų125.972%0.71577%0.773SS**  trans70.8111.6155.7167.80000117.9
149L29.7Very low30.2Very low146 Ų146126 Ų12676%0.76477%0.765SS**  73.4129.869.8-86.1148.5000112.8
150L29.8Very low30Very low170 Ų170130 Ų13089%0.8977%0.773SS**  cis-140.8178.523-66.6126.9000110.5
151G26.5Very low30.5Very low70 Ų70128.3 Ų128.372%0.72276%0.762SS**  cis158.2143.2-5.200000111.6
152N27.1Very low30.7Very low162 Ų162133 Ų13387%0.86677%0.768SS**  trans-85.1151.5175.5-68.5-6.4000111.8
153T27.9Very low30.7Very low135 Ų135131.6 Ų131.683%0.82877%0.769SS**  trans-170.2141.9140.219.20000115.9
154T28Very low31.2Very low127 Ų127135.8 Ų135.878%0.77978%0.781SS**  trans49.1119.3134.3-47.70000122.8
155S29Very low31.5Very low99 Ų99136.4 Ų136.469%0.69278%0.782SS**  trans-79.7153.7160.657.40000113.1
156P36.8Very low31.6Very low120 Ų120140.9 Ų140.978%0.77979%0.788SS**  -140.3168.290.231-12.8000114.7
157P42.8Very low31.7Very low122 Ų122140.8 Ų140.879%0.79279%0.792SS**  trans-92.4155.8-16936.1-36.1000114.8
158L28.8Very low31.9Very low173 Ų173145.8 Ų145.891%0.90680%0.797SS**  trans-133.6118.4165.5-94.4171.3000113
159N30.2Very low32.5Very low121 Ų121145.7 Ų145.765%0.64780%0.799SS**  trans24124150.8-154.8-58.3000120.7S161N159-S161 PolarHBondContact O-N 3.24Å; N159-S161 VanDerWaalsContact O-N 3.1Å; N159-S161 WeakPolarHBondContact OD1-CB 3.47Å; N159-S161 PolarHBondContact OD1-N 3.06Å; N159-S161 PolarHBondContact OD1-OG 2.96Å
160Q36.6Very low32.5Very low199 Ų199145.5 Ų145.593%0.9379%0.794SS**SBendtrans-77.978.9163.1-175.3-170.387.400111.4
161S35.8Very low32.5Very low80 Ų80144.8 Ų144.856%0.55979%0.79SS**  trans-157.5154.4161.655.70000112.6N159N159-S161 PolarHBondContact O-N 3.24Å; N159-S161 VanDerWaalsContact O-N 3.1Å; N159-S161 WeakPolarHBondContact OD1-CB 3.47Å; N159-S161 PolarHBondContact OD1-N 3.06Å; N159-S161 PolarHBondContact OD1-OG 2.96Å
162Q31.5Very low32.7Very low194 Ų194144.2 Ų144.291%0.90778%0.784SS**  trans62.868.8173.2-53.2-170.41600117.9
163A30.8Very low32.9Very low102 Ų102144.1 Ų144.184%0.84378%0.784SS**  trans-147.235159.200000114.3M165A163-M165 PolarHBondContact O-N 3.17Å
164Q36.3Very low33Very low198 Ų198146 Ų14693%0.92579%0.788SS**  trans-85.287.6165.4-75-170.44.500110.1
165M34.8Very low33.4Very low159 Ų159146.6 Ų146.678%0.78379%0.786SS**  trans-157.8119.4165.2-117.1-168.5-70.400112.4A163A163-M165 PolarHBondContact O-N 3.17Å
166Y30.7Very low33.7Very low204 Ų204150.3 Ų150.380%0.879%0.792SS**  trans59.5139.1173-65.4-94.6000115.4
167L31.1Very low33.4Very low167 Ų167151 Ų15187%0.87479%0.794SS**  cis-131.3150.333.5-72.9153.3000114
168R36Very low32.6Very low196 Ų196152.6 Ų152.674%0.7480%0.796SS**  trans-139.1129.1163.2-178.9-159.4-76.5158.4-4.1106.9
169P42.8Very low32.7Very low116 Ų116154.6 Ų154.675%0.75379%0.791SS**  -113152.5109.8-14.233.5000111.1
170Q29.5Very low32.8Very low141 Ų141154.1 Ų154.166%0.65979%0.793SS**  cis61.3126.839.1-91.5175-53.700113.3
171L29.7Very low32.6Very low155 Ų155153 Ų15381%0.81279%0.792SS**  cis-129.2-175.44.3-56.991.2000108.8
172G30Very low32.2Very low58 Ų58152.5 Ų152.560%0.59880%0.799SS**  cis801312100000112.1
173N31.4Very low32.3Very low161 Ų161154.3 Ų154.386%0.86180%0.798SS**  cis-158.6153.9-6.4-89.5-47.7000107.4
174L30.8Very low32.2Very low174 Ų174156.9 Ų156.991%0.91180%0.798SS**  trans-165.1154.9137.2-112171.4000113.1
175L36.3Very low32Very low139 Ų139153.9 Ų153.973%0.72879%0.793SS**  trans-98.8133.9-154.3-69.7157.5000114.7
176Q34.4Very low33Very low178 Ų178151.1 Ų151.183%0.83279%0.787SS**  5.4112.8124.6-179.8-173.531.400117
177V30.3Very low33Very low133 Ų133149.2 Ų149.281%0.80679%0.789SS**  trans-146.8143151.1-144.30000113.6
178N25.9Very low32.8Very low156 Ų156145.1 Ų145.183%0.83478%0.78SS**  trans80.3160.4152.8-128.8-20.2000121.1
179R32.6Very low32.6Very low216 Ų216140.8 Ų140.882%0.81578%0.779SS**  trans-164.2158.6-151.1-173.2-164.9-180-173.40.7110.8
180T32.4Very low31.9Very low111 Ų111144.2 Ų144.268%0.68179%0.785SS**  trans87.5151.5155.9-15.40000118.3
181L31.2Very low32Very low175 Ų175144.9 Ų144.992%0.91679%0.793SS**  trans72.2140.2173.9-56.4169.3000115.8
182G28.6Very low31.9Very low69 Ų69145.1 Ų145.171%0.71179%0.793SS**  cis179.8144.2-7.700000113
183R33.6Very low31.9Very low233 Ų233149.9 Ų149.988%0.87980%0.804SS**  trans-31.1144.7177.6-72.5171.3158.7174.6-10117.2
184N28.9Very low32Very low156 Ų156149.8 Ų149.883%0.83480%0.8SS**  -168.4159.1107.3-91.6-21.4000114.3
185V31.6Very low32.7Very low135 Ų135147.5 Ų147.582%0.81880%0.796SS**  trans-165.6152.7-169.4167.30000105.7
186P55Low32.4Very low101 Ų101148.2 Ų148.266%0.65680%0.8SS**  cis-131.4-160.15.2243.2000114.4
187L29.9Very low32.2Very low164 Ų164143.1 Ų143.186%0.85980%0.795SS**  trans83.2148.8156.1-51.7-179.6000118.1
188A28.1Very low32.3Very low81 Ų81141.1 Ų141.167%0.66979%0.793SS**  cis-164.4154.6-24.500000112.5
189S31Very low32.4Very low105 Ų105140.8 Ų140.873%0.73480%0.796SS**  trans28.6113.3151.5-53.10000122.5
190Q29.6Very low32.3Very low187 Ų187134.7 Ų134.787%0.87479%0.792SS**  trans-171.9131.1130.1-97.3145.7109.800107
191L31.8Very low32.1Very low156 Ų156134 Ų13482%0.81780%0.797SS**  59.999.863.3-81.8174.2000114.2
192I27.6Very low32Very low160 Ų160131.6 Ų131.682%0.82179%0.79SS**  171.7167.4121.9-87.6159.4000111.6
193L28.2Very low31.8Very low158 Ų158135.5 Ų135.583%0.82779%0.79SS**  trans-56.8168.1-165.4-80.347.3000118.3
194M34.2Very low31.7Very low159 Ų159131.7 Ų131.778%0.78378%0.782SS**  trans-63.2167.4161.5-60179.566.100113
195P44.9Very low31.3Very low125 Ų125132.7 Ų132.781%0.81278%0.781SS**  -12117812536.8-33.2000113
196N30.1Very low31.1Very low155 Ų155132.2 Ų132.283%0.82978%0.779SS**  trans-126.6141.4-165.7-163.934.5000112.3
197G31.1Very low30.7Very low70 Ų70132.5 Ų132.572%0.72278%0.78SS**  trans74.6171.5171.500000117
198A32.1Very low30.5Very low92 Ų92130.5 Ų130.576%0.7678%0.78SS**  cis-175-174.5-17.200000109.6
199V29.1Very low30.6Very low149 Ų149131.6 Ų131.690%0.90379%0.789SS**  trans81.9154.1165.5-166.70000116.3
200A29.9Very low30.5Very low88 Ų88135.2 Ų135.273%0.72779%0.794SS**  trans-147.8-179.9-170.100000111.9
201A28.5Very low30.5Very low96 Ų96130.9 Ų130.979%0.79379%0.785SS**  trans70.3123.4-178.300000114.9
202V28.9Very low31Very low125 Ų125129.6 Ų129.676%0.75879%0.786SS**  cis103.4141.140.6163.80000111.6
203Q24.9Very low30.9Very low151 Ų151125.4 Ų125.471%0.70678%0.782SS**  trans66.4133.7-169.7-95.556.98000115.5
204Q29.5Very low30.9Very low153 Ų153124.2 Ų124.272%0.71578%0.781SS**  cis115.91122178.5-172.9-8.300113.6
205E22.5Very low30.8Very low177 Ų177125.3 Ų125.383%0.82778%0.784SS**  trans-172.7-171.9134.1-155.5134.4105.300111.7
206V26Very low30.3Very low125 Ų125123 Ų12376%0.75878%0.775SS**  trans-158.7170.7-156.2179.40000108.6
207P46.3Very low30.4Very low106 Ų106123.1 Ų123.169%0.68878%0.776SS**  cis-122.4176.6-37.536.8-19.9000116.1
208S27Very low30.4Very low123 Ų123123.8 Ų123.886%0.8678%0.775SS**  trans43.3129.6145.3-60.10000124.9
209A30.6Very low30.4Very low104 Ų104126.5 Ų126.586%0.8678%0.776SS**  trans-136.7-178.1168.100000112.3
210Q27.9Very low30.5Very low180 Ų180127.4 Ų127.484%0.84177%0.771SS**  trans-159.1152-167.4-136-170.694.800117.3
211S30.7Very low30.7Very low96 Ų96129.1 Ų129.167%0.67177%0.772SS**  trans67.8160.3151.8-61.40000120.3
212P42.2Very low31Very low130 Ų130131 Ų13184%0.84476%0.764SS**  cis-128.4177.6-2.142-27.2000116
213G25.5Very low31.2Very low71 Ų71131.7 Ų131.773%0.73276%0.763SS**  trans140.576.4150.200000123.2
214V28Very low31.6Very low133 Ų133131.8 Ų131.881%0.80677%0.768SS**  trans35.9122.5142-1330000124
215H30.7Very low31.7Very low182 Ų182128.2 Ų128.284%0.84377%0.765SS**  trans28.1141143.6-70-105.4000122.4
216A35.4Very low32.2Very low76 Ų76125.6 Ų125.663%0.62876%0.761SS**  cis-158.7-148.6-1.200000109.1
217D31.1Very low32.4Very low158 Ų158130.7 Ų130.785%0.84577%0.766SS**  cis-164.2-169.75.5-140120.7000111.7
218A32.6Very low31.5Very low85 Ų85132.2 Ų132.270%0.70277%0.769SS**  trans78.8135.2175.200000118.9
219D31.9Very low31.6Very low149 Ų149132.9 Ų132.980%0.79776%0.758SS**  trans-31137.3-170.9-70.9-123.2000119.2
220Q31Very low31.6Very low168 Ų168135.5 Ų135.579%0.78575%0.753SS**  cis70.5149.741.3-55.9-159.268.200113.9
221V34Very low31.6Very low124 Ų124131.3 Ų131.375%0.75275%0.749SS**  cis-158.8158.79.798.80000108.2
222Q34.7Very low31.4Very low136 Ų136132.3 Ų132.364%0.63676%0.756SS**  cis-169.396.5-30.517764.2-71.500112
223N32.3Very low30.9Very low138 Ų138130.2 Ų130.274%0.73875%0.75SS**  trans62.3-178159-89.1-88000118.3
224L34.8Very low31Very low153 Ų153136.6 Ų136.680%0.80176%0.76SS**  cis-156.5170.314.9-161.260.9000113.5
225A31.8Very low31Very low79 Ų79133.8 Ų133.865%0.65376%0.758SS**  trans72.799.6147.900000124.1
226V32.2Very low32.3Very low122 Ų122131 Ų13174%0.73976%0.756SS**  33.1120109.9-176.20000121.5
227R30.3Very low32.7Very low231 Ų231132.7 Ų132.787%0.87276%0.761SS**  trans60.2142.6158.4-71.3177.4160.3115.3-4.7116.5
228N27.4Very low32.6Very low138 Ų138132.9 Ų132.974%0.73876%0.759SS**  cis-171172.539.9-157.2-2.9000112.4
229Q29.5Very low32.5Very low138 Ų138137.2 Ų137.265%0.64576%0.764SS**  trans60.1132.1157.2-68.2-156.9115.900124.5
230Q30.7Very low32.3Very low159 Ų159133.6 Ų133.674%0.74376%0.763SS**  trans64.2120.3130.6-65.2-179.9-5.800124.7
231A27.2Very low32.3Very low92 Ų92130.4 Ų130.476%0.7676%0.759SS**  81.9141.712300000124.5
232S27.1Very low32.1Very low117 Ų117129.5 Ų129.582%0.81875%0.753SS**  trans66.9111146.2-73.60000124.3
233A29.7Very low31.9Very low86 Ų86130.9 Ų130.971%0.71176%0.76SS**  75.1131.411200000123.6
234Q29.3Very low31.7Very low204 Ų204132.9 Ų132.995%0.95376%0.762SS**  trans58129.4146.2-67.6-176.1-102.600122.1
235G27.2Very low31.3Very low74 Ų74129.5 Ų129.576%0.76376%0.756SS**  trans160112152.600000115.3
236P57.4Low31.5Very low124 Ų124133.2 Ų133.281%0.80576%0.763SS**  trans-104.9171.8168.644.1-35.8000110.5
237P45.2Very low32.8Very low111 Ų111132.9 Ų132.972%0.72176%0.764SS**  -144.9163.766.545.2-25.3000114.4
238M29.1Very low33.6Very low162 Ų162127.9 Ų127.980%0.79876%0.761SS**  54.7145.9101.9-55-60.3179.900117.8
239Q29.2Very low33.6Very low176 Ų176125 Ų12582%0.82276%0.764SS**  cis-175.9142.5-17.1176.2174.614.200111.1
240G28.2Very low33.6Very low74 Ų74123.3 Ų123.376%0.76377%0.774SS**  trans85.6174163.700000117.4
241S30.7Very low33.6Very low100 Ų100121.1 Ų121.170%0.69978%0.776SS**  cis-165.6141.7-14.5-166.70000114.6
242T30.3Very low34.5Very low105 Ų105122.5 Ų122.564%0.64478%0.777SS**  trans58.1128.3144.246.20000126.2
243Q31.3Very low34.4Very low166 Ų166122.8 Ų122.878%0.77677%0.774SS**  trans74.2155.9130.8-71.2-173.593.900120.7
244K27.5Very low34.4Very low180 Ų180123.8 Ų123.878%0.78378%0.775SS**  cis-172.8165.6-8.5161.2179.9175.2-173.30112
245A26Very low34.3Very low81 Ų81118.7 Ų118.767%0.66976%0.762SS**  trans81.1137171.900000117.7
246I36.2Very low34.3Very low157 Ų157122.8 Ų122.881%0.80577%0.766SS**  cis86.3132.123.9-58.2171.7000114.1
247P59.3Low32.8Very low115 Ų115120.9 Ų120.975%0.74776%0.755SS**  cis-121.4-147.8-21.344.2-25.9000111
248P47.3Very low31.9Very low126 Ų126124.2 Ų124.282%0.81876%0.761SS**  cis-102-177.6271.124.4000113.5
249G27.8Very low31.8Very low77 Ų77120.5 Ų120.579%0.79476%0.757SS**  cis108.2133.237.300000109.3
250A29.1Very low31.8Very low103 Ų103117 Ų11785%0.85175%0.752SS**  cis-151.3-177.39.100000113
251S30.2Very low32Very low114 Ų114118.7 Ų118.780%0.79775%0.752SS**  trans-121-174.9177.1-44.60000110.8
252P46.3Very low31.9Very low120 Ų120123.8 Ų123.878%0.77977%0.765SS**  -119.4-155.752.226.7-3.8000111
253V26Very low31.8Very low123 Ų123123.2 Ų123.275%0.74577%0.771SS**  cis-137.3165.410.6-64.10000108.9
254S29.4Very low31.6Very low107 Ų107123.5 Ų123.575%0.74878%0.776SS**  cis78.1130.326.3-62.10000116.4
255S26.5Very low31.7Very low97 Ų97118.9 Ų118.968%0.67877%0.772SS**  cis-168.4146.3-5.148.60000113.3
256L26.4Very low31.8Very low160 Ų160121.6 Ų121.684%0.83878%0.78SS**  trans-167.6146.5140.9-124.868.5000107.5
257S26.5Very low31.5Very low84 Ų84118.3 Ų118.359%0.58778%0.776SS**  cis73.3158.212.3-45.70000113.7
258Q27.5Very low29.9Very low181 Ų181121.7 Ų121.785%0.84678%0.782SS**  cis-166.8170.1-18.9-114.6176.4-29.200106.4
259A27.1Very low28.9Very low85 Ų85120.1 Ų120.170%0.70278%0.779SS**  cis-153.6178.1-5.600000109.4
260S28.5Very low29Very low103 Ų103121.3 Ų121.372%0.7278%0.775SS**  trans-75.2143.2170.1530000114.4
261S31.6Very low29.1Very low108 Ų108122 Ų12276%0.75577%0.774SS**  trans45114.7133.8-48.20000121.1
262Q29.9Very low29Very low208 Ų208120.1 Ų120.197%0.97277%0.773SS**  -162.9171.7114.3-105.6172.738.600110.6
263A28.3Very low28.3Very low93 Ų93118.9 Ų118.977%0.76977%0.773SS**  trans-124.4149.6-16300000113.7
264L27.3Very low28.5Very low171 Ų171119.5 Ų119.590%0.89578%0.777SS**  trans-166.5134.2154.8-108.7158.8000113.3
265A29Very low28.6Very low83 Ų83119.3 Ų119.369%0.68678%0.776SS**  trans51105.4150.900000124.5
266V28.3Very low28.9Very low139 Ų139123.2 Ų123.284%0.84278%0.783SS**  67.6124115.7175.90000123
267A28.6Very low28.9Very low87 Ų87120.4 Ų120.472%0.71978%0.777SS**  trans70.2150.7151.100000120
268Q26.7Very low29.2Very low186 Ų186124 Ų12487%0.86979%0.789SS**  cis-160.5158-8.1-125.3179.5-3.400111.7
269A26.3Very low29.3Very low93 Ų93121.6 Ų121.677%0.76978%0.782SS**  trans62160154.800000120.1
270S30.5Very low29.4Very low102 Ų102125.6 Ų125.671%0.71379%0.791SS**  cis-168.5140.8-29.153.80000112.9
271S30.7Very low29.7Very low117 Ų117125.2 Ų125.282%0.81879%0.788SS**  trans42.9125.3146.462.20000124.5
272G27.3Very low29.6Very low76 Ų76129.6 Ų129.678%0.78480%0.796SS**  103.7110107.600000123.5
273A32Very low29.5Very low94 Ų94124.9 Ų124.978%0.77779%0.793SS**  trans61.3168.7143.800000122.6
274T31.1Very low29.5Very low135 Ų135124.6 Ų124.683%0.82880%0.799SS**  trans76.4159.1172.7750000118
275S30.8Very low29.6Very low103 Ų103120.4 Ų120.472%0.7280%0.797SS**  cis-170.4175.3-26.6-90.90000112
276Q32.3Very low29.9Very low180 Ų180120 Ų12084%0.84180%0.801SS**  trans79.6153.7168.9-54.3-165.7108.200117.9
277S27.3Very low30.6Very low101 Ų101119.9 Ų119.971%0.70681%0.806SS**  cis92.9143.610.8-52.30000116.3
278L32.8Very low31.2Very low160 Ų160119.2 Ų119.284%0.83881%0.808SS**  cis-163.4163.2-6.9-118.1174.1000113.1
279N29.3Very low32.2Very low130 Ų130117.9 Ų117.970%0.69581%0.807SS**  trans52.7122.1154.5-155.8-31.2000122.5
280L29.6Very low33.3Very low169 Ų169118.7 Ų118.789%0.88581%0.807SS**  trans-160.6176.2132.9-139.770.6000112.8
281S33.5Very low34.3Very low95 Ų95121.6 Ų121.666%0.66481%0.813SS**  trans-129.9156.1-173.2-71.10000114.5
282Q31Very low35.5Very low200 Ų200121.9 Ų121.994%0.93581%0.812SS**  trans52.398.7158.6-67.8-1724900120.5
283A27.6Very low35.9Very low109 Ų109121.3 Ų121.390%0.90181%0.805SS**  -155.5159125.900000108.7
284G27.9Very low36.2Very low86 Ų86123 Ų12389%0.88781%0.812SS**  trans-99.9135.8-175.700000114.2
285G28.8Very low36.3Very low84 Ų84125 Ų12587%0.86681%0.814SS**  trans138.293.7159.800000117.5
286G35.1Very low36.3Very low74 Ų74123.4 Ų123.476%0.76381%0.814SS**  trans95.1140.4152.600000119
287S43.8Very low37.7Very low136 Ų136121.5 Ų121.595%0.95182%0.817SS**  trans66.9136.4159.8-59.20000121.1
288G41.3Very low37.9Very low73 Ų73120.3 Ų120.375%0.75382%0.821SS**  trans111.9101.8139.900000121.3
289N47.5Very low37.8Very low159 Ų159116.9 Ų116.985%0.8582%0.824SS**  trans56.3147.1138.8-86.411000126.1
290S48.6Very low38Very low110 Ų110114.9 Ų114.977%0.76983%0.834SS**  trans79.6158.4148.4-640000120.6
291I51.7Low38.1Very low163 Ų163110.6 Ų110.684%0.83683%0.83SS**  trans-150.4148.9-163.253.7170.4000114.3
292P55.1Low38Very low123 Ų123115.3 Ų115.380%0.79984%0.842SS**  trans-126.7-175.1158.238.8-25.6000113.3
293G35.8Very low38.1Very low63 Ų63109.9 Ų109.965%0.64983%0.832SS**  trans-111.6-176.8168.700000113.4
294S38.3Very low38.3Very low131 Ų131113.9 Ų113.992%0.91683%0.831SS**  trans-85.4167.3-169.7-160.50000115.8
295M33.9Very low38.4Very low177 Ų177113.7 Ų113.787%0.87283%0.83SS**  trans-132.5179.7-161.1-49.2175-174.600114.3
296G30.1Very low38.4Very low69 Ų69113.6 Ų113.671%0.71183%0.829SS**  trans177.6178.4155.200000110.3
297P62.7Low38.1Very low139 Ų139119 Ų11990%0.90384%0.839SS**  cis-131-175.6-18.741.5-26.4000113
298G32Very low37.3Very low77 Ų77115.8 Ų115.879%0.79483%0.827SS**  trans145.2125.2151.600000119.4
299G31.1Very low36.6Very low88 Ų88121.8 Ų121.891%0.90784%0.836SS**  trans74.7148.3161.800000117.7
300G31.6Very low35.9Very low87 Ų87121.7 Ų121.790%0.89783%0.834SS**  cis153.2125.5-12.900000113.3
301G32Very low35.7Very low79 Ų79122.1 Ų122.181%0.81483%0.834SS**  trans141.4115.9165.500000118.8
302Q32.8Very low34.8Very low194 Ų194119.3 Ų119.391%0.90783%0.83SS**  trans55.4107.7144-67.5-170.9-22.400124
303A32.3Very low33.7Very low87 Ų87119.1 Ų119.172%0.71983%0.831SS**  96.7143.5107.700000122.9
304H32.7Very low33.3Very low192 Ų192119.3 Ų119.389%0.88983%0.833SS**  trans42.2100.9167.8-76.6-87.2000118.1
305G29.4Very low33Very low83 Ų83120.4 Ų120.486%0.85683%0.834SS**  97.9110.854.800000110.9
306G27.8Very low32.7Very low82 Ų82115.6 Ų115.685%0.84583%0.83SS**  trans175.8106.3-178.800000114.5
307L28.7Very low32.7Very low187 Ų187116.6 Ų116.698%0.97984%0.84SS**  trans-55.1150.9177.8-56.2160.4000114.2
308G27.1Very low31Very low69 Ų69113.8 Ų113.871%0.71184%0.836SS**  trans154.392.9151.200000120.6
309Q28.2Very low31Very low198 Ų198116.2 Ų116.293%0.92584%0.841SS**  trans52.4140.4130.3-60.3178.335.700124
310L32.1Very low31.1Very low157 Ų157117.9 Ų117.982%0.82284%0.837SS**  trans-55.9156.3152.4-69.7160.3000111.2
311P44.8Very low32.1Very low119 Ų119119.7 Ų119.777%0.77383%0.833SS**  -127.5174.551.415.410.8000113.5
312S31.7Very low32.4Very low105 Ų105127.1 Ų127.173%0.73484%0.837SS**  cis84.4143.531-151.90000116.3
313S32.2Very low32.3Very low119 Ų119127.2 Ų127.283%0.83283%0.834SS**  trans77.8147.8168-56.10000121.1
314G28.2Very low32.4Very low66 Ų66126.2 Ų126.268%0.6883%0.833SS**  trans90.6108.1163.900000115.4
315V31.7Very low32.5Very low154 Ų154124.6 Ų124.693%0.93384%0.836SS**  cis67.5129.633.9-33.20000116.6
316G27.1Very low32.4Very low77 Ų77123.8 Ų123.879%0.79483%0.828SS**  trans114.486.4149.400000119.4
317G31.4Very low32.5Very low90 Ų90126.8 Ų126.893%0.92883%0.83SS**  trans25.9137.8143.400000124.1
318G27Very low32.4Very low79 Ų79124.3 Ų124.381%0.81482%0.822SS**  trans-146.5137.416600000112.4
319S30.8Very low32.4Very low129 Ų129128.7 Ų128.790%0.90282%0.824SS**PPolyproline II helixtrans-84157.7-164.7-62.60000116.8
320C33.9Very low33.3Very low123 Ų123124.9 Ų124.983%0.83182%0.816SS**PPolyproline II helixtrans-78.8166.1170.6-37.90000113.4
321P52Low32.9Very low124 Ų124124.4 Ų124.481%0.80581%0.814SS**PPolyproline II helixtrans-98.3117.7165.334.4-28.9000114.3
322R38.5Very low33.1Very low235 Ų235124.5 Ų124.589%0.88781%0.814SS**  trans18.3134.6131.2-166.7166.4-179.1-124.44.2117.8
323K30.8Very low32.9Very low196 Ų196123.5 Ų123.585%0.85281%0.813SS**  -168.910883.7-170.4-179.8-175.4-175.80116.9
324G34.4Very low32.7Very low67 Ų67122.2 Ų122.269%0.69181%0.809SS**  trans76.2153.1148.600000119.4
325T34.8Very low32.9Very low157 Ų157127.6 Ų127.696%0.96382%0.817SS**  cis-165145.7-7.32.30000111
326G27.5Very low32.7Very low67 Ų67126.6 Ų126.669%0.69181%0.811SS**  trans113.2116.7178.200000112.8
327V29.2Very low32.9Very low144 Ų144128.7 Ų128.787%0.87381%0.809SS**  74.2115.157.7178.60000111.1
328V27.2Very low33Very low136 Ų136130.4 Ų130.482%0.82480%0.801SS**  cis-153.7179.74.4102.20000113.2
329Q26.5Very low33.5Very low161 Ų161132.6 Ų132.675%0.75280%0.798SS**  trans-55.3176173.2-105.9-154.893.200116.4
330P46.8Very low33.7Very low117 Ų117132.1 Ų132.176%0.7680%0.795SS**  cis-141.8-175.42542.4-21.6000119.2
331L23.8Very low33.8Very low147 Ų147136 Ų13677%0.7780%0.801SS**  trans-74.2177.1163.5-120.264.7000112.1
332P48.9Very low32.8Very low121 Ų121133.3 Ų133.379%0.78680%0.796SS**  cis-127.9-150.6-0.834-8.6000112.3
333A27.6Very low32.9Very low84 Ų84128 Ų12869%0.69480%0.795SS**  cis-161.61707.600000113.8
334A29.7Very low33.1Very low93 Ų93127.1 Ų127.177%0.76979%0.794SS**  trans38.6139.8140.700000122.4
335Q31.1Very low33.2Very low178 Ų178129.1 Ų129.183%0.83279%0.793SS**  cis-141.4143.913.9-69.9-175.5-3.300114.6
336T27Very low33.1Very low134 Ų134130.5 Ų130.582%0.82279%0.788SS**  trans46.8121.7141.9-44.20000123.4
337V33Very low33.3Very low121 Ų121132.3 Ų132.373%0.73380%0.796SS**  trans-140.8137.3160.6-172.40000107
338T33.3Very low33.6Very low126 Ų126134.5 Ų134.577%0.77380%0.797SS**  173148.7108.540.60000108.2
339V36.3Very low33.7Very low125 Ų125133.9 Ų133.976%0.75880%0.799SS**  cis78.4113.344.1177.80000114.5
340S35.2Very low34.2Very low119 Ų119130.8 Ų130.883%0.83280%0.801SS**  trans-176.3169.2139.4-87.90000115.6
341Q35.3Very low33.5Very low203 Ų203130.5 Ų130.595%0.94981%0.809SS**  trans-93.9175.9-166.3-49.4164.736.900113.6
342G31Very low34Very low69 Ų69127.9 Ų127.971%0.71181%0.808SS**  trans169.4154.3163.500000114
343S42.6Very low33.3Very low122 Ų122132.2 Ų132.285%0.85382%0.815SS**  trans-159.8158.5178-75.60000113.8
344Q33.9Very low33.5Very low179 Ų179136.4 Ų136.484%0.83682%0.817SS**  trans81.1109.3159.3-82.2178.1-2300121.7
345T36.5Very low33.5Very low109 Ų109136.9 Ų136.967%0.66982%0.821SS**  55.7120.1128.451.20000124
346E32.7Very low33.4Very low186 Ų186136.1 Ų136.187%0.86982%0.818SS**  90.4162.1126.9-74.5-176.797.500123
347A31.9Very low33.6Very low104 Ų104134.7 Ų134.786%0.8682%0.82SS**  trans81.8115.6172.300000119.6
348E35.6Very low33.5Very low190 Ų190137.2 Ų137.289%0.88883%0.829SS**  trans-87.7145.7160.1171.4-172.497.600109.7
349S29.3Very low33.4Very low123 Ų123134.1 Ų134.186%0.8682%0.822SS**  trans-166.6155.1155.1-87.20000112.5
350A36.4Very low33.1Very low97 Ų97133.9 Ų133.980%0.80283%0.826SS**  trans-123.9-173.8175.100000111.3
351A32.6Very low32.9Very low111 Ų111131.5 Ų131.592%0.91782%0.82SS**  trans85137.3178.900000116.7
352A35.2Very low33Very low92 Ų92130.3 Ų130.376%0.7682%0.815SS**  trans-107.5163.3-168.200000113.1
353K33.5Very low33.3Very low212 Ų212134 Ų13492%0.92281%0.813SS**  -169159.5127.4-107.8164.7-175.3178.30114.7
354K31.4Very low32.9Very low171 Ų171135.3 Ų135.374%0.74381%0.811SS**  trans-20.8139.9172.7-79.6-169.6157.8-1340118.5E356K354-E356 IonicContact NZ-OE2 2.89Å; K354-E356 PolarHBondContact NZ-OE2 3.01Å
355A30.7Very low33Very low104 Ų104132.5 Ų132.586%0.8681%0.806SS**  -147.2156.9119.800000109.4
356E27.1Very low32.9Very low162 Ų162130.4 Ų130.476%0.75781%0.805SS**  trans-114.6146.7-179.7-69168.57600110.5K354K354-E356 IonicContact NZ-OE2 2.89Å; K354-E356 PolarHBondContact NZ-OE2 3.01Å
357A33Very low33Very low104 Ų104129.8 Ų129.886%0.8681%0.805SS**  trans-154.6136.8158.500000109.9
358D30.4Very low33Very low173 Ų173130.8 Ų130.893%0.92580%0.796SS**  trans-77.1169.1-173.2-149.9-54.8000113.2
359G29.7Very low32.8Very low61 Ų61128.5 Ų128.563%0.62979%0.789SS**  trans153.472.916900000116.9
360S31.7Very low33.2Very low121 Ų121128 Ų12885%0.84678%0.781SS**  trans22.5127.7150610000120
361G31Very low33.1Very low69 Ų69133.1 Ų133.171%0.71178%0.779SS**  cis146.7179.56.100000110.5
362Q36.1Very low33Very low177 Ų177133 Ų13383%0.82777%0.767SS**  trans66.9137.2165.5-77.1-163.111.300117.8
363Q37.8Very low32.8Very low147 Ų147132.9 Ų132.969%0.68777%0.766SS**  cis-144153.5-7.3-46.7-166.23.800109.2
364N33.8Very low33.1Very low149 Ų149129.4 Ų129.480%0.79776%0.763SS**  64.6126.6102.9-162-107.3000114.3
365V35.7Very low33.4Very low121 Ų121127.1 Ų127.173%0.73377%0.765SS**  cis-1421549.8-175.10000107.3
366G34.2Very low33.5Very low64 Ų64126.5 Ų126.566%0.6676%0.76SS**  cis161.9-175.5-3.400000110.4
367M36.4Very low34.8Very low173 Ų173124.2 Ų124.285%0.85276%0.759SS**  trans34.9134.7149-53.3-172.1-170.100120.3
368N31.4Very low34.7Very low126 Ų126124.7 Ų124.767%0.67476%0.757SS**  cis-158173.818.2-146.5-104.2000112
369L32.3Very low34.8Very low142 Ų142124.2 Ų124.274%0.74375%0.749SS**  trans-24.3165162.7-79.453.6000118.3
370T36.3Very low35.3Very low112 Ų112126.5 Ų126.569%0.68775%0.751SS**  cis-160.4138.610.3-126.10000114.4
371R34.5Very low35.4Very low205 Ų205128.8 Ų128.877%0.77475%0.753SS**  34.5139.7129.2-145.6-169.2176.8-110.712.9122.5
372T31.6Very low35.6Very low108 Ų108133.2 Ų133.266%0.66376%0.758SS**  trans90.6145.4143.45.30000122.3
373A30.5Very low35.4Very low90 Ų90130.2 Ų130.274%0.74476%0.757SS**  trans83.9105.4152.300000120.7
374T38.5Very low35.4Very low138 Ų138128.9 Ų128.985%0.84776%0.764SS**  trans-64.6144.3142.9440000110.4
375P37.5Very low35.5Very low123 Ų123126.6 Ų126.680%0.79977%0.765SS**  -140.5175.29639.6-27.4000114.4
376A33.1Very low35.7Very low91 Ų91127 Ų12775%0.75277%0.768SS**  trans-106.6173.9167.400000109.5
377P55.4Low36Very low114 Ų114133.2 Ų133.274%0.7477%0.773SS**  cis-135.5-1694.743.2-26.1000115.5
378S30.8Very low36.4Very low114 Ų114130.6 Ų130.680%0.79777%0.767SS**  trans99.6149.8156.781.90000120.1
379Q31.8Very low37.3Very low164 Ų164132.9 Ų132.977%0.76677%0.774SS**  trans69.583.7170-63-70.264.200120.9
380T40.1Very low38.2Very low109 Ų109132.4 Ų132.467%0.66977%0.771SS**  52.194.4116-47.10000119.5
381L34.7Very low38.8Very low169 Ų169133.7 Ų133.789%0.88577%0.769SS**  trans-136.6129.6141.3-79.4180000109.6
382I35.1Very low39.9Very low161 Ų161128.8 Ų128.883%0.82676%0.763SS**  trans-96.9113.7173.6-61.4174.4000107.8
383S31.3Very low41Very low114 Ų114130 Ų13080%0.79776%0.762SS**PPolyproline II helixtrans-80.1130.7176.8-56.40000111.7A385S383-A385 PolarHBondContact O-N 3.48Å
384S37.7Very low42.4Very low119 Ų119129.3 Ų129.383%0.83275%0.751SS**PPolyproline II helixtrans-65.4123.1179.8-51.20000112.4
385A37.1Very low44Very low101 Ų101127.3 Ų127.384%0.83574%0.735SS**PPolyproline II helixtrans-71.5140.9172.600000111.8S383 Y387S383-A385 PolarHBondContact O-N 3.48Å; A385-Y387 PolarHBondContact O-N 3.17Å
386T38.7Very low45.7Very low130 Ų130126.7 Ų126.780%0.79872%0.724SS**PPolyproline II helixtrans-66.9126.1-171.3-48.50000113.3T388T386-T388 PolarHBondContact O-N 3.37Å
387Y41.3Very low47.8Very low195 Ų195128.3 Ų128.377%0.76572%0.716SS**  trans-70.7113.7171.4179.2-88.7000110.8A385A385-Y387 PolarHBondContact O-N 3.17Å
388T45.3Very low48.8Very low117 Ų117128.9 Ų128.972%0.71871%0.708SS**PPolyproline II helixtrans-89.5123.517342.90000111.1T386 I390T386-T388 PolarHBondContact O-N 3.37Å; T388-I390 PolarHBondContact O-N 2.69Å
389Q49Very low51Low175 Ų175129.1 Ų129.182%0.81870%0.697SS**PPolyproline II helixtrans-74.4118.5-179.6-174.4-17173.700110.6
390I51.7Low53.1Low131 Ų131127.3 Ų127.367%0.67269%0.688SS**PPolyproline II helixtrans-80.5129.7177-60175.2000109.6T388T388-I390 PolarHBondContact O-N 2.69Å
391Q48.2Very low54.7Low139 Ų139128.9 Ų128.965%0.6569%0.688SS**PPolyproline II helixtrans-65.6137.5175.2-70.6-171.7-1.300111.7H393Q391-H393 VanDerWaalsContact C-N 3.29Å; Q391-H393 PolarHBondContact O-N 3.36Å
392P57.8Low56.7Low102 Ų102125.1 Ų125.166%0.66267%0.668SS**Hα-helixtrans-67.4-25.7-174.926.2-34.8000113.9S394 L395 I396P392-S394 PolarHBondContact O-N 3.29Å; P392-L395 PolarHBondContact O-N 2.71Å; P392-I396 WeakPolarHBondContact O-CG1 3.34Å; P392-I396 PolarHBondContact O-N 3.01Å; P392-I396 VanDerWaalsContact O-N 3.16Å
393H56.1Low58.7Low135 Ų135123.3 Ų123.363%0.62566%0.656SS**Hα-helixtrans-62.4-43.3-174.3-162.9-85.3000112.8Q391 L395 I396 Q397Q391-H393 VanDerWaalsContact C-N 3.29Å; Q391-H393 PolarHBondContact O-N 3.36Å; H393-L395 VanDerWaalsContact C-N 3.29Å; H393-L395 PolarHBondContact O-N 3.32Å; H393-I396 PolarHBondContact O-N 3.13Å; H393-Q397 PolarHBondContact O-N 2.95Å
394S60.3Low61.1Low75 Ų75123.4 Ų123.452%0.52465%0.647SS.*Hα-helixtrans-64.7-34.3178.5-51.60000112.5P392 Q397 Q398P392-S394 PolarHBondContact O-N 3.29Å; S394-Q397 PolarHBondContact O-N 3.46Å; S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 PolarHBondContact O-N 3.21Å
395L71.3Confident62.9Low96 Ų96124.5 Ų124.550%0.50364%0.639SS.*Hα-helixtrans-74.5-36.3-178.3-159.3139.2000111.5P392 H393 Q398 Q399P392-L395 PolarHBondContact O-N 2.71Å; H393-L395 VanDerWaalsContact C-N 3.29Å; H393-L395 PolarHBondContact O-N 3.32Å; L395-Q398 PolarHBondContact O-N 3.44Å; L395-Q399 VanDerWaalsContact O-CB 3.27Å; L395-Q399 WeakPolarHBondContact O-CB 3.44Å; L395-Q399 PolarHBondContact O-N 3.45Å
396I73.6Confident64.9Low110 Ų110125.5 Ų125.556%0.56463%0.626SS**Hα-helixtrans-62.7-43.9171.5-66.3165.2000110.8P392 H393 Q399 Q400P392-I396 WeakPolarHBondContact O-CG1 3.34Å; P392-I396 PolarHBondContact O-N 3.01Å; P392-I396 VanDerWaalsContact O-N 3.16Å; H393-I396 PolarHBondContact O-N 3.13Å; I396-Q399 PolarHBondContact O-N 2.76Å; I396-Q400 WeakPolarHBondContact O-CB 3.33Å; I396-Q400 PolarHBondContact O-N 2.57Å
397Q76.1Confident66.7Low125 Ų125125.7 Ų125.758%0.58462%0.616SS**Hα-helixtrans-67.4-40.8179.4-168.3152.554.200112.1H393 S394 Q400 Q401H393-Q397 PolarHBondContact O-N 2.95Å; S394-Q397 PolarHBondContact O-N 3.46Å; Q397-Q400 PolarHBondContact O-N 3.03Å; Q397-Q401 PolarHBondContact O-N 3.31Å
398Q76.9Confident68.4Low125 Ų125121.9 Ų121.958%0.58461%0.605SS**Hα-helixtrans-63.2-44.1172.6-175.6176.273.700112S394 L395 Q400 Q401 I402S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 PolarHBondContact O-N 3.21Å; L395-Q398 PolarHBondContact O-N 3.44Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 2.89Å; Q398-Q401 PolarHBondContact O-N 3.45Å; Q398-I402 HydrophobicContact CG-CD1 4.04Å; Q398-I402 WeakPolarHBondContact O-CG1 3.28Å; Q398-I402 PolarHBondContact O-N 3.02Å
399Q76.6Confident70.1Confident119 Ų119120.3 Ų120.356%0.55660%0.595SS**Hα-helixtrans-58.4-43.5176.6-17378.695.700111.4L395 I396 I402 H403L395-Q399 VanDerWaalsContact O-CB 3.27Å; L395-Q399 WeakPolarHBondContact O-CB 3.44Å; L395-Q399 PolarHBondContact O-N 3.45Å; I396-Q399 PolarHBondContact O-N 2.76Å; Q399-I402 PolarHBondContact O-N 3.15Å; Q399-H403 WeakPolarHBondContact O-CB 3.5Å; Q399-H403 PolarHBondContact O-N 3.44Å
400Q76Confident71.9Confident126 Ų126116 Ų11659%0.58958%0.581SS**Hα-helixtrans-67.4-39.3178.4-168.5168.391.300111.9I396 Q397 Q398 H403 L404I396-Q400 WeakPolarHBondContact O-CB 3.33Å; I396-Q400 PolarHBondContact O-N 2.57Å; Q397-Q400 PolarHBondContact O-N 3.03Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 2.89Å; Q400-H403 PolarHBondContact O-N 3.14Å; Q400-L404 HydrophobicContact CG-CD1 4.22Å; Q400-L404 VanDerWaalsContact O-CD1 3.3Å; Q400-L404 WeakPolarHBondContact O-CD1 3.44Å; Q400-L404 PolarHBondContact O-N 3.28Å
401Q74.1Confident73.5Confident142 Ų142113.4 Ų113.466%0.66457%0.567SS**Hα-helixtrans-66.3-39.4175.7-171.3170-3.100112.5Q397 Q398 H403 L404 Q405Q397-Q401 PolarHBondContact O-N 3.31Å; Q398-Q401 PolarHBondContact O-N 3.45Å; Q401-H403 VanDerWaalsContact C-N 3.35Å; Q401-L404 PolarHBondContact O-N 2.86Å; Q401-Q405 PolarHBondContact O-N 3.49Å
402I77.4Confident75.2Confident91 Ų91112.3 Ų112.347%0.46756%0.562SS.*Hα-helixtrans-61.7-43.6172-68.4165.2000110.4Q398 Q399 L404 Q405 Q406Q398-I402 HydrophobicContact CG-CD1 4.04Å; Q398-I402 WeakPolarHBondContact O-CG1 3.28Å; Q398-I402 PolarHBondContact O-N 3.02Å; Q399-I402 PolarHBondContact O-N 3.15Å; I402-L404 PolarHBondContact O-N 2.75Å; I402-Q405 PolarHBondContact O-N 2.85Å; I402-Q406 WeakPolarHBondContact O-CB 3.19Å; I402-Q406 PolarHBondContact O-N 3.33Å
403H75.7Confident76.5Confident122 Ų122113.3 Ų113.357%0.56556%0.558SS**Hα-helixtrans-66.4-35.8179.5-157.987.4000112.5Q399 Q400 Q401 K407Q399-H403 WeakPolarHBondContact O-CB 3.5Å; Q399-H403 PolarHBondContact O-N 3.44Å; Q400-H403 PolarHBondContact O-N 3.14Å; Q401-H403 VanDerWaalsContact C-N 3.35Å; H403-K407 VanDerWaalsContact O-CB 3.31Å; H403-K407 WeakPolarHBondContact O-CB 3.3Å; H403-K407 PolarHBondContact O-N 3.33Å
404L83Confident77.8Confident116 Ų116112.8 Ų112.861%0.60756%0.556SS**Hα-helixtrans-63.4-44.4170.4-98.271.1000111.8Q400 Q401 I402 K407 Q408Q400-L404 HydrophobicContact CG-CD1 4.22Å; Q400-L404 VanDerWaalsContact O-CD1 3.3Å; Q400-L404 WeakPolarHBondContact O-CD1 3.44Å; Q400-L404 PolarHBondContact O-N 3.28Å; Q401-L404 PolarHBondContact O-N 2.86Å; I402-L404 PolarHBondContact O-N 2.75Å; L404-K407 PolarHBondContact O-N 3.29Å; L404-Q408 PolarHBondContact O-N 3.26Å
405Q74.2Confident78.9Confident143 Ų143113.8 Ų113.867%0.66855%0.554SS**Hα-helixtrans-64.8-44.4178.2-163.3-161.79600111.5Q401 I402 K407 Q408 V409Q401-Q405 PolarHBondContact O-N 3.49Å; I402-Q405 PolarHBondContact O-N 2.85Å; Q405-K407 VanDerWaalsContact C-N 3.33Å; Q405-K407 PolarHBondContact O-N 2.94Å; Q405-Q408 WeakPolarHBondContact O-CB 3.25Å; Q405-Q408 PolarHBondContact O-N 3.27Å; Q405-Q408 VanDerWaalsContact O-N 3.11Å; Q405-V409 WeakPolarHBondContact O-CG2 3.35Å; Q405-V409 PolarHBondContact O-N 2.93Å
406Q79Confident79.4Confident122 Ų122111.9 Ų111.957%0.5755%0.552SS**Hα-helixtrans-61.9-40.8176.7-171174.657.200111.6I402 Q408 V409 V410I402-Q406 WeakPolarHBondContact O-CB 3.19Å; I402-Q406 PolarHBondContact O-N 3.33Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.98Å; Q406-V409 PolarHBondContact O-N 3.38Å; Q406-V410 WeakPolarHBondContact O-CG2 3.5Å; Q406-V410 PolarHBondContact O-N 3.02Å
407K76.6Confident79.8Confident134 Ų134110 Ų11058%0.58354%0.543SS*.Hα-helixtrans-61.6-38.9173.1-173.6173.3-178175.80112.2H403 L404 Q405 V410 I411H403-K407 VanDerWaalsContact O-CB 3.31Å; H403-K407 WeakPolarHBondContact O-CB 3.3Å; H403-K407 PolarHBondContact O-N 3.33Å; L404-K407 PolarHBondContact O-N 3.29Å; Q405-K407 VanDerWaalsContact C-N 3.33Å; Q405-K407 PolarHBondContact O-N 2.94Å; K407-V410 PolarHBondContact O-N 3.27Å; K407-I411 HydrophobicContact CG-CD1 4.04Å; K407-I411 WeakPolarHBondContact O-CB 3.37Å; K407-I411 WeakPolarHBondContact O-CD1 3.47Å; K407-I411 VanDerWaalsContact O-CG1 3.26Å; K407-I411 WeakPolarHBondContact O-CG1 3.44Å; K407-I411 PolarHBondContact O-N 3.46Å
408Q77Confident79.9Confident115 Ų115110 Ų11054%0.53754%0.542SS..Hα-helixtrans-63.4-43.5174.8-168.766.221.200111.7L404 Q405 Q406 I411 Q412L404-Q408 PolarHBondContact O-N 3.26Å; Q405-Q408 WeakPolarHBondContact O-CB 3.25Å; Q405-Q408 PolarHBondContact O-N 3.27Å; Q405-Q408 VanDerWaalsContact O-N 3.11Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.98Å; Q408-I411 PolarHBondContact O-N 3.4Å; Q408-Q412 WeakPolarHBondContact O-CB 3.39Å; Q408-Q412 PolarHBondContact O-N 3.4Å
409V82.6Confident80Confident83 Ų83107.5 Ų107.550%0.50353%0.53SS..Hα-helixtrans-63-44.7176.2173.80000111.5Q405 Q406 I411 Q412 Q413Q405-V409 WeakPolarHBondContact O-CG2 3.35Å; Q405-V409 PolarHBondContact O-N 2.93Å; Q406-V409 PolarHBondContact O-N 3.38Å; V409-I411 PolarHBondContact O-N 3.4Å; V409-Q412 WeakPolarHBondContact O-CB 3.36Å; V409-Q412 PolarHBondContact O-N 3.5Å; V409-Q413 WeakPolarHBondContact O-CB 3.44Å; V409-Q413 PolarHBondContact O-N 2.86Å
410V85.4Confident80.4Confident86 Ų86108.4 Ų108.452%0.52154%0.535SS..Hα-helixtrans-63-41.3177.1172.20000111.5Q406 K407 Q412 Q413 Q414Q406-V410 WeakPolarHBondContact O-CG2 3.5Å; Q406-V410 PolarHBondContact O-N 3.02Å; K407-V410 PolarHBondContact O-N 3.27Å; V410-Q412 VanDerWaalsContact C-N 3.34Å; V410-Q412 PolarHBondContact O-N 3.41Å; V410-Q413 PolarHBondContact O-N 2.85Å; V410-Q414 WeakPolarHBondContact O-CB 3.16Å; V410-Q414 PolarHBondContact O-N 3.3Å
411I85.6Confident80.6Confident76 Ų76108.5 Ų108.539%0.3954%0.535SS..Hα-helixtrans-61.3-43.7173.7-71.3165.8000110.7K407 Q408 V409 Q413 Q414 I415K407-I411 HydrophobicContact CG-CD1 4.04Å; K407-I411 WeakPolarHBondContact O-CB 3.37Å; K407-I411 WeakPolarHBondContact O-CD1 3.47Å; K407-I411 VanDerWaalsContact O-CG1 3.26Å; K407-I411 WeakPolarHBondContact O-CG1 3.44Å; K407-I411 PolarHBondContact O-N 3.46Å; Q408-I411 PolarHBondContact O-N 3.4Å; V409-I411 PolarHBondContact O-N 3.4Å; I411-Q413 VanDerWaalsContact C-N 3.35Å; I411-Q413 PolarHBondContact O-N 2.61Å; I411-Q414 PolarHBondContact O-N 3.02Å; I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 VanDerWaalsContact O-CG1 3.29Å; I411-I415 WeakPolarHBondContact O-CG1 3.45Å; I411-I415 PolarHBondContact O-N 3.03Å
412Q83.3Confident80.6Confident116 Ų116105 Ų10554%0.54252%0.519SS..Hα-helixtrans-62.5-41.4178-158.569.675.700111.9Q408 V409 V410 I415 A416Q408-Q412 WeakPolarHBondContact O-CB 3.39Å; Q408-Q412 PolarHBondContact O-N 3.4Å; V409-Q412 WeakPolarHBondContact O-CB 3.36Å; V409-Q412 PolarHBondContact O-N 3.5Å; V410-Q412 VanDerWaalsContact C-N 3.34Å; V410-Q412 PolarHBondContact O-N 3.41Å; Q412-I415 PolarHBondContact O-N 3.38Å; Q412-A416 PolarHBondContact O-N 3.23Å
413Q86.3Confident80.5Confident122 Ų122105.9 Ų105.957%0.5752%0.52SS*.Hα-helixtrans-64.5-44.5175.4-168.310783.500111.8V409 V410 I411 I415 A416 I417V409-Q413 WeakPolarHBondContact O-CB 3.44Å; V409-Q413 PolarHBondContact O-N 2.86Å; V410-Q413 PolarHBondContact O-N 2.85Å; I411-Q413 VanDerWaalsContact C-N 3.35Å; I411-Q413 PolarHBondContact O-N 2.61Å; Q413-I415 VanDerWaalsContact C-N 3.32Å; Q413-I415 PolarHBondContact O-N 3.46Å; Q413-A416 PolarHBondContact O-N 3.15Å; Q413-I417 HydrophobicContact CG-CD1 4.01Å; Q413-I417 WeakPolarHBondContact O-CG1 3.48Å; Q413-I417 PolarHBondContact O-N 2.97Å
414Q83.4Confident80.3Confident125 Ų125105.5 Ų105.558%0.58452%0.518SS*.Hα-helixtrans-61.1-41.1178.2-162.97552.200111.6V410 I411 H418V410-Q414 WeakPolarHBondContact O-CB 3.16Å; V410-Q414 PolarHBondContact O-N 3.3Å; I411-Q414 PolarHBondContact O-N 3.02Å; Q414-H418 WeakPolarHBondContact O-CB 3.48Å; Q414-H418 PolarHBondContact O-N 3.47Å
415I83.1Confident79.9Confident96 Ų96106.2 Ų106.249%0.49252%0.518SS..Hα-helixtrans-63.9-44174.9-68.6165000110.7I411 Q412 Q413 H418 H419I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 VanDerWaalsContact O-CG1 3.29Å; I411-I415 WeakPolarHBondContact O-CG1 3.45Å; I411-I415 PolarHBondContact O-N 3.03Å; Q412-I415 PolarHBondContact O-N 3.38Å; Q413-I415 VanDerWaalsContact C-N 3.32Å; Q413-I415 PolarHBondContact O-N 3.46Å; I415-H418 PolarHBondContact O-N 3.47Å; I415-H419 WeakPolarHBondContact O-CB 3.33Å; I415-H419 PolarHBondContact O-N 3.15Å
416A81.9Confident79.9Confident55 Ų55104.8 Ų104.846%0.45551%0.506SS..Hα-helixtrans-62.3-44.8178.300000112.4Q412 Q413 H419 Q420Q412-A416 PolarHBondContact O-N 3.23Å; Q413-A416 PolarHBondContact O-N 3.15Å; A416-H419 PolarHBondContact O-N 2.84Å; A416-Q420 WeakPolarHBondContact O-CB 3.38Å; A416-Q420 PolarHBondContact O-N 3.29Å
417I82.2Confident79.9Confident71 Ų71104 Ų10436%0.36450%0.503SS..Hα-helixtrans-63.2-45.6177.8-66.5164.2000110.8Q413 H419 Q420 Q421Q413-I417 HydrophobicContact CG-CD1 4.01Å; Q413-I417 WeakPolarHBondContact O-CG1 3.48Å; Q413-I417 PolarHBondContact O-N 2.97Å; I417-H419 VanDerWaalsContact C-N 3.34Å; I417-H419 PolarHBondContact O-N 3.27Å; I417-Q420 PolarHBondContact O-N 3.14Å; I417-Q421 PolarHBondContact O-N 2.69Å
418H78.4Confident79.9Confident125 Ų125100.3 Ų100.358%0.57949%0.494SS*.Hα-helixtrans-62.2-41.2176.8-174.6-77.5000111.8Q414 I415 Q422Q414-H418 WeakPolarHBondContact O-CB 3.48Å; Q414-H418 PolarHBondContact O-N 3.47Å; I415-H418 PolarHBondContact O-N 3.47Å; H418-Q422 WeakPolarHBondContact O-CB 3.25Å; H418-Q422 PolarHBondContact O-N 3.09Å
419H77.5Confident80.1Confident72 Ų72100.3 Ų100.333%0.33349%0.494SS..Hα-helixtrans-65.1-41.9177.7-166.7-173.8000111.8Y68 I415 A416 I417 Q422 F423Y68-H419 AromaticContact CE1-NE2 3.39Å; Y68-H419 WeakPolarHBondContact CE1-NE2 3.28Å; I415-H419 WeakPolarHBondContact O-CB 3.33Å; I415-H419 PolarHBondContact O-N 3.15Å; A416-H419 PolarHBondContact O-N 2.84Å; I417-H419 VanDerWaalsContact C-N 3.34Å; I417-H419 PolarHBondContact O-N 3.27Å; H419-Q422 PolarHBondContact O-N 3.44Å; H419-F423 WeakPolarHBondContact O-CB 3.46Å; H419-F423 PolarHBondContact O-N 3.45Å
420Q84.9Confident80.1Confident138 Ų138101.9 Ų101.965%0.64550%0.499SS*.Hα-helixtrans-61.4-46.8176.5-172.9-176.684.300112.1A416 I417 Q422 F423 Q424A416-Q420 WeakPolarHBondContact O-CB 3.38Å; A416-Q420 PolarHBondContact O-N 3.29Å; I417-Q420 PolarHBondContact O-N 3.14Å; Q420-Q422 PolarHBondContact O-N 3.13Å; Q420-F423 PolarHBondContact O-N 3Å; Q420-Q424 PolarHBondContact O-N 2.75Å
421Q79.9Confident79.9Confident129 Ų129103.4 Ų103.460%0.60350%0.503SS*.Hα-helixtrans-63.6-41176.7-69-175.525.600112.1I417 F423 Q424 H425I417-Q421 PolarHBondContact O-N 2.69Å; Q421-F423 VanDerWaalsContact C-N 3.3Å; Q421-F423 PolarHBondContact O-N 3.01Å; Q421-Q424 PolarHBondContact O-N 2.68Å; Q421-H425 WeakPolarHBondContact O-CB 3.19Å; Q421-H425 PolarHBondContact O-N 3.47Å
422Q74.8Confident79.5Confident69 Ų69105.9 Ų105.932%0.32251%0.513SS..Hα-helixtrans-65.3-33.7176.9-163.4-160.6-96.200112.2Y68 H418 H419 Q420 R426Y68-Q422 PolarHBondContact OH-NE2 3.23Å; H418-Q422 WeakPolarHBondContact O-CB 3.25Å; H418-Q422 PolarHBondContact O-N 3.09Å; H419-Q422 PolarHBondContact O-N 3.44Å; Q420-Q422 PolarHBondContact O-N 3.13Å; Q422-R426 WeakPolarHBondContact O-CB 3.43Å; Q422-R426 PolarHBondContact O-N 3.35Å
423F76.4Confident79.4Confident109 Ų109104.4 Ų104.448%0.47851%0.512SS..Hα-helixtrans-67.3-49174.1-169.5-84.3000111.3H419 Q420 Q421 H425 R426 Q427H419-F423 WeakPolarHBondContact O-CB 3.46Å; H419-F423 PolarHBondContact O-N 3.45Å; Q420-F423 PolarHBondContact O-N 3Å; Q421-F423 VanDerWaalsContact C-N 3.3Å; Q421-F423 PolarHBondContact O-N 3.01Å; F423-H425 VanDerWaalsContact C-N 3.34Å; F423-H425 PolarHBondContact O-N 3.42Å; F423-R426 PolarHBondContact O-N 2.8Å; F423-Q427 WeakPolarHBondContact O-CB 3.44Å; F423-Q427 PolarHBondContact O-N 3.26Å
424Q70.9Confident79.3Confident114 Ų114101.2 Ų101.253%0.53351%0.506SS..Hα-helixtrans-57.8-43.7176-74.5-65.1-50.700112.1Q420 Q421 Q427 S428Q420-Q424 PolarHBondContact O-N 2.75Å; Q421-Q424 PolarHBondContact O-N 2.68Å; Q424-Q427 PolarHBondContact O-N 3.26Å; Q424-S428 WeakPolarHBondContact O-CB 3.34Å; Q424-S428 PolarHBondContact O-N 3.42Å
425H74.8Confident79.3Confident130 Ų13099 Ų9960%0.60250%0.501SS*.Hα-helixtrans-64.4-42.2176.7-167.578.3000112.2Q421 F423 S428 Q429Q421-H425 WeakPolarHBondContact O-CB 3.19Å; Q421-H425 PolarHBondContact O-N 3.47Å; F423-H425 VanDerWaalsContact C-N 3.34Å; F423-H425 PolarHBondContact O-N 3.42Å; H425-S428 PolarHBondContact O-N 2.74Å; H425-Q429 WeakPolarHBondContact O-CB 3.49Å; H425-Q429 PolarHBondContact O-N 3.38Å
426R73.4Confident79.2Confident113 Ų113101.3 Ų101.343%0.42651%0.51SS..Hα-helixtrans-64.5-41175.6-169.2-171-65.2177.82.6111.9Q422 F423 Q429 L430Q422-R426 WeakPolarHBondContact O-CB 3.43Å; Q422-R426 PolarHBondContact O-N 3.35Å; F423-R426 PolarHBondContact O-N 2.8Å; R426-Q429 PolarHBondContact O-N 3.13Å; R426-L430 HydrophobicContact CG-CD1 4.21Å; R426-L430 WeakPolarHBondContact O-CB 3.4Å; R426-L430 WeakPolarHBondContact O-CG 3.35Å; R426-L430 PolarHBondContact O-N 3.34Å
427Q79.8Confident79.2Confident106 Ų106104.4 Ų104.450%0.49552%0.518SS..Hα-helixtrans-63.3-44.9177.6-172.3176.58.400111.1F423 Q424 L430 L431F423-Q427 WeakPolarHBondContact O-CB 3.44Å; F423-Q427 PolarHBondContact O-N 3.26Å; Q424-Q427 PolarHBondContact O-N 3.26Å; Q427-L430 PolarHBondContact O-N 2.86Å; Q427-L431 PolarHBondContact O-N 3.06Å
428S77Confident79.2Confident56 Ų56107 Ų10739%0.39253%0.529SS..Hα-helixtrans-61.9-44.1173.8-176.80000112.2Q424 H425 L430 L431 H432Q424-S428 WeakPolarHBondContact O-CB 3.34Å; Q424-S428 PolarHBondContact O-N 3.42Å; H425-S428 PolarHBondContact O-N 2.74Å; S428-L430 PolarHBondContact O-N 2.9Å; S428-L431 PolarHBondContact O-N 2.95Å; S428-H432 PolarHBondContact O-N 3.34Å; S428-H432 PolarHBondContact O-ND1 2.9Å; S428-H432 PolarHBondContact OG-CE1 3.21Å; S428-H432 PolarHBondContact OG-ND1 3.46Å
429Q81.3Confident79.3Confident116 Ų116106.1 Ų106.154%0.54253%0.528SS..Hα-helixtrans-64.6-38.7178.5-172.3170.551.400112.5H425 R426 T433H425-Q429 WeakPolarHBondContact O-CB 3.49Å; H425-Q429 PolarHBondContact O-N 3.38Å; R426-Q429 PolarHBondContact O-N 3.13Å; Q429-T433 WeakPolarHBondContact O-CB 3.48Å; Q429-T433 PolarHBondContact O-N 3.19Å; Q429-T433 PolarHBondContact O-OG1 3.24Å
430L81.8Confident79.3Confident115 Ų115104.9 Ų104.960%0.60253%0.53SS*.Hα-helixtrans-63.6-43172.8-78.1166.2000111.8R426 Q427 S428 T433 A434R426-L430 HydrophobicContact CG-CD1 4.21Å; R426-L430 WeakPolarHBondContact O-CB 3.4Å; R426-L430 WeakPolarHBondContact O-CG 3.35Å; R426-L430 PolarHBondContact O-N 3.34Å; Q427-L430 PolarHBondContact O-N 2.86Å; S428-L430 PolarHBondContact O-N 2.9Å; L430-T433 PolarHBondContact O-N 2.91Å; L430-A434 WeakPolarHBondContact O-CB 3.43Å; L430-A434 PolarHBondContact O-N 3.3Å
431L80.2Confident79.1Confident119 Ų119104 Ų10462%0.62353%0.526SS*.Hα-helixtrans-62.5-46.4177.8-168.567.6000111.8Q427 S428 T433 A434 T435Q427-L431 PolarHBondContact O-N 3.06Å; S428-L431 PolarHBondContact O-N 2.95Å; L431-T433 VanDerWaalsContact C-N 3.3Å; L431-T433 PolarHBondContact O-N 3.29Å; L431-A434 PolarHBondContact O-N 3.11Å; L431-T435 PolarHBondContact O-N 3.34Å; L431-T435 PolarHBondContact O-OG1 2.89Å; L431-T435 VanDerWaalsContact O-OG1 3.09Å
432H78.4Confident79.1Confident128 Ų128104.3 Ų104.359%0.59353%0.527SS*.Hα-helixtrans-61.3-38.2174.8-72.987.6000112.5S428 H436S428-H432 PolarHBondContact O-N 3.34Å; S428-H432 PolarHBondContact O-ND1 2.9Å; S428-H432 PolarHBondContact OG-CE1 3.21Å; S428-H432 PolarHBondContact OG-ND1 3.46Å; H432-H436 WeakPolarHBondContact O-CB 3.42Å; H432-H436 PolarHBondContact O-N 3.33Å
433T80.3Confident79.1Confident84 Ų84108 Ų10852%0.51555%0.545SS..Hα-helixtrans-66.7-42.9177.2-54.40000111.3Q429 L430 L431 H436 L437Q429-T433 WeakPolarHBondContact O-CB 3.48Å; Q429-T433 PolarHBondContact O-N 3.19Å; Q429-T433 PolarHBondContact O-OG1 3.24Å; L430-T433 PolarHBondContact O-N 2.91Å; L431-T433 VanDerWaalsContact C-N 3.3Å; L431-T433 PolarHBondContact O-N 3.29Å; T433-H436 PolarHBondContact O-N 3.01Å; T433-L437 WeakPolarHBondContact O-CB 3.3Å; T433-L437 PolarHBondContact O-N 3.37Å
434A84.8Confident79Confident55 Ų55109.2 Ų109.246%0.45555%0.552SS.*Hα-helixtrans-62.3-47.2176.100000111.6L430 L431 H436 L437 Q438L430-A434 WeakPolarHBondContact O-CB 3.43Å; L430-A434 PolarHBondContact O-N 3.3Å; L431-A434 PolarHBondContact O-N 3.11Å; A434-H436 VanDerWaalsContact C-N 3.34Å; A434-H436 PolarHBondContact O-N 2.76Å; A434-L437 PolarHBondContact O-N 2.84Å; A434-Q438 WeakPolarHBondContact O-CB 3.47Å; A434-Q438 PolarHBondContact O-N 3.35Å
435T84.4Confident79.2Confident78 Ų78110 Ų11048%0.47956%0.555SS.*Hα-helixtrans-59.3-43176.4-57.10000112L431 L437 Q438 L439L431-T435 PolarHBondContact O-N 3.34Å; L431-T435 PolarHBondContact O-OG1 2.89Å; L431-T435 VanDerWaalsContact O-OG1 3.09Å; T435-L437 PolarHBondContact O-N 3.48Å; T435-Q438 PolarHBondContact O-N 2.83Å; T435-L439 HydrophobicContact CG2-CD1 4.15Å; T435-L439 VanDerWaalsContact O-CD1 3.31Å; T435-L439 WeakPolarHBondContact O-CD1 3.37Å; T435-L439 PolarHBondContact O-N 3.43Å; T435-L439 VanDerWaalsContact O-N 3.08Å
436H79.8Confident78.9Confident145 Ų145110.2 Ų110.267%0.67156%0.556SS**Hα-helixtrans-66.5-36.4177.3-167.4-63.8000112.4H432 T433 A434 A440H432-H436 WeakPolarHBondContact O-CB 3.42Å; H432-H436 PolarHBondContact O-N 3.33Å; T433-H436 PolarHBondContact O-N 3.01Å; A434-H436 VanDerWaalsContact C-N 3.34Å; A434-H436 PolarHBondContact O-N 2.76Å; H436-A440 WeakPolarHBondContact O-CB 3.38Å; H436-A440 PolarHBondContact O-N 3.34Å
437L82.6Confident78.6Confident121 Ų121111.4 Ų111.463%0.63457%0.567SS**Hα-helixtrans-69.1-37.4175.9-167.464.4000111.6T433 A434 T435 A440 Q441T433-L437 WeakPolarHBondContact O-CB 3.3Å; T433-L437 PolarHBondContact O-N 3.37Å; A434-L437 PolarHBondContact O-N 2.84Å; T435-L437 PolarHBondContact O-N 3.48Å; L437-A440 PolarHBondContact O-N 2.88Å; L437-Q441 WeakPolarHBondContact O-CB 3.46Å; L437-Q441 PolarHBondContact O-N 2.84Å
438Q82.6Confident77.9Confident124 Ų124113 Ų11358%0.57957%0.574SS**Hα-helixtrans-62.3-44.5175.1-161.77143.200111.9A434 T435 Q441 Q442A434-Q438 WeakPolarHBondContact O-CB 3.47Å; A434-Q438 PolarHBondContact O-N 3.35Å; T435-Q438 PolarHBondContact O-N 2.83Å; Q438-Q441 PolarHBondContact O-N 3.4Å; Q438-Q442 WeakPolarHBondContact O-CB 3.5Å; Q438-Q442 PolarHBondContact O-N 2.83Å
439L80.5Confident77.2Confident108 Ų108117.1 Ų117.157%0.56559%0.588SS**Hα-helixtrans-64.4-42.4174.8-94.277000112T435 Q441 Q442 Q443T435-L439 HydrophobicContact CG2-CD1 4.15Å; T435-L439 VanDerWaalsContact O-CD1 3.31Å; T435-L439 WeakPolarHBondContact O-CD1 3.37Å; T435-L439 PolarHBondContact O-N 3.43Å; T435-L439 VanDerWaalsContact O-N 3.08Å; L439-Q441 PolarHBondContact O-N 2.84Å; L439-Q442 PolarHBondContact O-N 2.69Å; L439-Q443 WeakPolarHBondContact O-CB 3.44Å; L439-Q443 PolarHBondContact O-N 3.21Å
440A76.8Confident76.1Confident45 Ų45119.2 Ų119.237%0.37260%0.597SS.*Hα-helixtrans-61.8-42.817800000112H436 L437 Q443 Q444H436-A440 WeakPolarHBondContact O-CB 3.38Å; H436-A440 PolarHBondContact O-N 3.34Å; L437-A440 PolarHBondContact O-N 2.88Å; A440-Q443 PolarHBondContact O-N 2.86Å; A440-Q444 PolarHBondContact O-N 3.32Å
441Q80.3Confident75Confident119 Ų119121.6 Ų121.656%0.55661%0.605SS**Hα-helixtrans-66.8-40177.7-173.1170.475.300112.3L437 Q438 L439 Q444 Q445L437-Q441 WeakPolarHBondContact O-CB 3.46Å; L437-Q441 PolarHBondContact O-N 2.84Å; Q438-Q441 PolarHBondContact O-N 3.4Å; L439-Q441 PolarHBondContact O-N 2.84Å; Q441-Q444 PolarHBondContact O-N 3.23Å; Q441-Q445 WeakPolarHBondContact O-CB 3.32Å; Q441-Q445 PolarHBondContact O-N 3.37Å
442Q79.6Confident73.8Confident136 Ų136124.3 Ų124.364%0.63662%0.615SS**Hα-helixtrans-61.9-42.6173.8-176.8177.590.700111.9Q438 L439 Q445 Q446Q438-Q442 WeakPolarHBondContact O-CB 3.5Å; Q438-Q442 PolarHBondContact O-N 2.83Å; L439-Q442 PolarHBondContact O-N 2.69Å; Q442-Q445 PolarHBondContact O-N 3.49Å; Q442-Q446 PolarHBondContact O-N 3.2Å
443Q76.4Confident72.5Confident148 Ų148126.4 Ų126.469%0.69263%0.625SS**Hα-helixtrans-65.5-39.2178.3-166.6170.8104.200112L439 A440 Q446 Q447L439-Q443 WeakPolarHBondContact O-CB 3.44Å; L439-Q443 PolarHBondContact O-N 3.21Å; A440-Q443 PolarHBondContact O-N 2.86Å; Q443-Q446 PolarHBondContact O-N 3.34Å; Q443-Q447 PolarHBondContact O-N 3.3Å; Q443-Q447 VanDerWaalsContact O-N 3.13Å
444Q74.3Confident70.8Confident133 Ų133131 Ų13162%0.62164%0.641SS**Hα-helixtrans-65-40.6174.9-168.5175.815.900112.3A440 Q441 Q447 Q448A440-Q444 PolarHBondContact O-N 3.32Å; Q441-Q444 PolarHBondContact O-N 3.23Å; Q444-Q447 PolarHBondContact O-N 2.84Å; Q444-Q448 PolarHBondContact O-N 3.32Å; Q444-Q448 VanDerWaalsContact O-N 3.14Å
445Q73.9Confident69.1Low131 Ų131134.3 Ų134.361%0.61266%0.658SS**Hα-helixtrans-67.9-36.7178.7-168.9167.975.500112.3Q441 Q442 Q448 Q449Q441-Q445 WeakPolarHBondContact O-CB 3.32Å; Q441-Q445 PolarHBondContact O-N 3.37Å; Q442-Q445 PolarHBondContact O-N 3.49Å; Q445-Q448 PolarHBondContact O-N 3.38Å; Q445-Q449 PolarHBondContact O-N 2.83Å
446Q69.5Low67.1Low134 Ų134139.5 Ų139.563%0.62668%0.676SS**Hα-helixtrans-66.4-38.1173.9-172.8170.589.600112.4Q442 Q443 Q448Q442-Q446 PolarHBondContact O-N 3.2Å; Q443-Q446 PolarHBondContact O-N 3.34Å; Q446-Q448 VanDerWaalsContact C-N 3.3Å; Q446-Q448 PolarHBondContact O-N 2.93Å
447Q66.5Low65.1Low139 Ų139137.6 Ų137.665%0.6569%0.685SS**Hα-helixtrans-66.5-31.2175.2-172.9165.682.400112.6Q443 Q444 Q450Q443-Q447 PolarHBondContact O-N 3.3Å; Q443-Q447 VanDerWaalsContact O-N 3.13Å; Q444-Q447 PolarHBondContact O-N 2.84Å; Q447-Q450 PolarHBondContact O-N 2.86Å
448Q65.2Low63.2Low139 Ų139137.4 Ų137.465%0.6569%0.689SS**Hα-helixtrans-73.5-35.5-179.8-163.9164.971.900113.1Q444 Q445 Q446 Q450 Q451Q444-Q448 PolarHBondContact O-N 3.32Å; Q444-Q448 VanDerWaalsContact O-N 3.14Å; Q445-Q448 PolarHBondContact O-N 3.38Å; Q446-Q448 VanDerWaalsContact C-N 3.3Å; Q446-Q448 PolarHBondContact O-N 2.93Å; Q448-Q450 VanDerWaalsContact C-N 3.28Å; Q448-Q450 PolarHBondContact O-N 2.86Å; Q448-Q451 PolarHBondContact O-N 3.08Å
449Q61.7Low61Low143 Ų143137 Ų13767%0.66870%0.696SS**Hα-helixtrans-64.5-32.4172.8-72.4-173.7-1.700112.7Q445 Q451Q445-Q449 PolarHBondContact O-N 2.83Å; Q449-Q451 PolarHBondContact O-N 3.26Å
450Q59.4Low58.9Low160 Ų160139.3 Ų139.375%0.74871%0.708SS**THydrogen-bonded Turntrans-70.1-11.4-179-136.9165.277.500113.3Q447 Q448Q447-Q450 PolarHBondContact O-N 2.86Å; Q448-Q450 VanDerWaalsContact C-N 3.28Å; Q448-Q450 PolarHBondContact O-N 2.86Å
451Q57.8Low56.8Low164 Ų164143.8 Ų143.877%0.76673%0.731SS**THydrogen-bonded Turntrans-100.5-4-174.7-157159.28900114Q448 Q449Q448-Q451 PolarHBondContact O-N 3.08Å; Q449-Q451 PolarHBondContact O-N 3.26Å
452Q54.8Low54.6Low176 Ų176142.5 Ų142.582%0.82274%0.74SS**SBendtrans-93.53.3179.4-81.1-172.1-12.900115.2
453Q50.8Low53.3Low173 Ų173141.7 Ų141.781%0.80875%0.747SS**  trans-109.229-171.1-62.1-174.310.300114.5
454Q44.8Very low51.2Low180 Ų180143.8 Ų143.884%0.84176%0.757SS**  trans-105.4117.3176.6-137.2172.517.300111
455P50.5Low49.8Very low125 Ų125142.6 Ų142.681%0.81276%0.761SS**  trans-69.4145.6-178.2-20.733.3000113.6
456Q42Very low48.6Very low187 Ų187141.2 Ų141.287%0.87476%0.763SS**  trans-79.6145.1168.9-72.8179.6-33.600111.7
457A38Very low46.7Very low104 Ų104143.8 Ų143.886%0.8678%0.775SS**  trans-133.8141.9160.300000108.5
458T41.6Very low45.2Very low117 Ų117143.6 Ų143.672%0.71878%0.783SS**  trans-132.7138.7-161.2-470000110.6
459T36.8Very low44.3Very low117 Ų117142.3 Ų142.372%0.71879%0.787SS**  165.7133.6129.341.50000113.5
460L36.1Very low43.6Very low155 Ų155141 Ų14181%0.81279%0.791SS**  trans47136.9134-48.1171.3000119.2
461T33.9Very low42.2Very low140 Ų140138.8 Ų138.886%0.85979%0.788SS**  -167.3-175.454.3-45.50000111.5
462A33.5Very low41Very low91 Ų91138.6 Ų138.675%0.75279%0.787SS**  trans-81172.4-168.700000117.4
463P52Low39.9Very low119 Ų119138.3 Ų138.377%0.77379%0.786SS**  trans-114.8162.4-163.641.4-33.1000117.2
464Q31.9Very low39Very low193 Ų193136.2 Ų136.290%0.90279%0.785SS**  trans-171.8169.7139.2-99.1-148-10.400113
465P44.5Very low39.3Very low108 Ų108133 Ų13370%0.70178%0.78SS**  trans-120.6-152.5-162.946.7-35000113.3
466P49.3Very low39.2Very low102 Ų102132.1 Ų132.166%0.66277%0.774SS**  cis-126.5159.9-35.232.1-15000114.6
467Q30.2Very low38.5Very low188 Ų188128.3 Ų128.388%0.87977%0.768SS**  trans-150.5164.6158.9-83.7-53.7-73.600112
468V34.8Very low38.3Very low134 Ų134132 Ų13281%0.81277%0.767SS**  trans-133.3-168.7-175.2-137.70000111.8
469P45.8Very low37.7Very low113 Ų113131.7 Ų131.773%0.73477%0.77SS**  trans-97.5-179-134.948.7-35.9000112.9
470P47.7Very low37.6Very low116 Ų116135.7 Ų135.775%0.75378%0.78SS**  cis-133.4-16646.233.7-8.3000113.2
471T30.6Very low37.7Very low113 Ų113135.7 Ų135.769%0.69378%0.776SS**  cis-161.4159.221.9-26.90000112.2
472Q31.6Very low37.4Very low160 Ų160135.5 Ų135.575%0.74877%0.765SS**  trans19.9121.4149-91.3-163.882.200121.6
473Q31.5Very low37.4Very low169 Ų169135.7 Ų135.779%0.7977%0.767SS**  168168.6102.9-104.416626.300113.8
474V33.1Very low36.3Very low130 Ų130137.2 Ų137.279%0.78876%0.764SS**  trans-158.7154.4-168.1-172.70000108.5
475P50.2Low36.5Very low113 Ų113133.8 Ų133.873%0.73476%0.756SS**  cis-111.1-145.1-43.739.3-20.3000108.1
476P47.5Very low36Very low106 Ų106136.1 Ų136.169%0.68876%0.762SS**  cis-138.7173.7-10.241.9-23.5000118.4
477S28.9Very low35.4Very low107 Ų107137.3 Ų137.375%0.74877%0.767SS**  trans79137.5144.7-72.70000122
478Q33.8Very low35.5Very low182 Ų182134.1 Ų134.185%0.8576%0.76SS**  trans58.2102.4158.6-62.8-176.621.500118.9
479S28.8Very low35.8Very low110 Ų110135.9 Ų135.977%0.76976%0.76SS**  178.4139.198.243.30000112
480Q33.8Very low35.2Very low200 Ų200135.6 Ų135.694%0.93576%0.757SS**  trans-146.396.6156-135.6179.920.200111.1
481Q37.3Very low34.6Very low155 Ų155137.7 Ų137.772%0.72476%0.759SS**  trans-71.3167.5152.7-68.9168.6-66.300109.1
482Q29.7Very low34.7Very low136 Ų136139.7 Ų139.764%0.63677%0.765SS**  cis-165.6132-21.9-107.7169.2-5700107
483A32.2Very low35Very low95 Ų95140.6 Ų140.679%0.78577%0.769SS**  trans-165.389156.500000106.5
484Q29.6Very low34.9Very low151 Ų151138.1 Ų138.171%0.70677%0.77SS**  4888.973.6-56.2-150.48100110.9
485T36.2Very low35.2Very low122 Ų122136.7 Ų136.775%0.74877%0.766SS**  78.910974-65.40000112.3
486L33.9Very low34.5Very low156 Ų156137.9 Ų137.982%0.81777%0.774SS**  -153.6143.4123.4-131.7123.3000110.8V488L486-V488 HydrophobicContact CD2-CG2 4.15Å
487V36.5Very low33.8Very low127 Ų127139.4 Ų139.477%0.7778%0.776SS**  trans-110.6124.7176.3176.30000108.1
488V31.9Very low33.6Very low121 Ų121140.3 Ų140.373%0.73378%0.782SS**  trans-131.9104160.8-176.60000108.3L486 P490L486-V488 HydrophobicContact CD2-CG2 4.15Å; V488-P490 HydrophobicContact CG1-CG 4.37Å
489Q40.8Very low33.4Very low172 Ų172138.8 Ų138.880%0.80478%0.779SS**  trans-94.2134.4160-171.9116.591.200107.6
490P34.3Very low34.3Very low106 Ų106139.2 Ų139.269%0.68878%0.779SS**  trans-126.8133.9142.99.412000111V488V488-P490 HydrophobicContact CG1-CG 4.37Å
491M33.5Very low35.4Very low160 Ų160135 Ų13579%0.78877%0.769SS**  trans-78.2139.5149.3-80.4-102.5-70.300107.8
492L32.7Very low35Very low156 Ų156134.7 Ų134.782%0.81777%0.772SS**  -172.7164.1102.1-100.7172.5000113.7
493Q38Very low35.2Very low179 Ų179132.7 Ų132.784%0.83678%0.779SS**  trans-89.3141.7176.4178.3178.611.100109.7
494S31.1Very low35.5Very low116 Ų116132.7 Ų132.781%0.81178%0.779SS**  trans-144123.3169.654.60000113.1
495S37.8Very low36.7Very low100 Ų100130.9 Ų130.970%0.69978%0.78SS**  trans-82.7163.9151.2-67.70000108.5
496P36.2Very low36.4Very low139 Ų139134.6 Ų134.690%0.90379%0.786SS**  trans-60.7152.8179.225-35.5000112.9
497L32Very low37.3Very low138 Ų138132.7 Ų132.772%0.72378%0.783SS**  trans-128.5131.1-161.3-156171.9000111.5L499L497-L499 HydrophobicContact CD2-CD2 3.66Å; L497-L499 HydrophobicContact CD2-CG 3.98Å
498S25.9Very low38.1Very low125 Ų125131.5 Ų131.587%0.87478%0.778SS**  trans-120.6134.3162.5-65.10000109.4
499L28.5Very low38.3Very low151 Ų151133.1 Ų133.179%0.79178%0.78SS**  trans-86.3177.2-169-66.4167.4000112.9L497L497-L499 HydrophobicContact CD2-CD2 3.66Å; L497-L499 HydrophobicContact CD2-CG 3.98Å
500P47.7Very low38.9Very low118 Ų118130.2 Ų130.277%0.76678%0.777SS**  cis-132.3-146.89.341.7-18.6000115.1
501P56.8Low38.9Very low111 Ų111132.4 Ų132.472%0.72178%0.781SS**  -123.7-153.1-117.839.6-14.8000114.3
502D28.9Very low38.9Very low150 Ų150133.2 Ų133.280%0.80278%0.783SS**  cis-165.2-177.75-142.9-52.6000112.4
503A34.8Very low39Very low93 Ų93130.5 Ų130.577%0.76978%0.777SS**  trans66.5151.5159.300000120.1
504A37.9Very low38.6Very low95 Ų95131.4 Ų131.479%0.78578%0.778SS**  cis-166.6176.1-1200000110.7
505P55.7Low40.1Very low114 Ų114131.6 Ų131.674%0.7478%0.777SS**  trans-136.9166.8-143.144.7-31.3000122.7
506K29.5Very low41.2Very low200 Ų200132.5 Ų132.587%0.8778%0.78SS**  trans144149130.5-84.9-178.9172.4176.50120.6
507P52.8Low41Very low116 Ų116132.8 Ų132.875%0.75378%0.779SS**  trans-126.2-144.2-17643.8-23.8000114
508P54.1Low41Very low101 Ų101130.4 Ų130.466%0.65678%0.779SS**  cis-146.9-173.3-13.542.9-21.6000119.8
509I36Very low42.1Very low155 Ų155130.2 Ų130.280%0.79578%0.775SS**  trans73.20147.6-81.9164.2000119
510P52.2Low42.2Very low111 Ų111130.9 Ų130.972%0.72178%0.777SS**  0-168.5026.32.1000120.1
511I34.7Very low41.1Very low153 Ų153134.2 Ų134.279%0.78578%0.78SS**  trans111.7118.5145.4-54.2-163.9000125.1
512Q32.9Very low40.8Very low176 Ų176134.1 Ų134.182%0.82278%0.779SS**  trans66.5172.8156.6-84.2-147.85400123.8
513S35.6Very low42Very low99 Ų99132 Ų13269%0.69277%0.774SS**  cis-151.6-156.79.8-157.10000116.4
514K28.7Very low41.6Very low199 Ų199135.6 Ų135.687%0.86577%0.774SS**  trans-146155.9-174-80.6-177.8175.7175.70119.9
515P63.1Low41.2Very low120 Ų120138.5 Ų138.578%0.77978%0.776SS**  trans-114.3-156.1172.445.4-36.1000114
516P61.4Low39.9Very low119 Ų119136.1 Ų136.177%0.77377%0.772SS**  cis-139.1-161.5-7.445.7-25.4000116.5
517V32.5Very low40Very low145 Ų145133.6 Ų133.688%0.87977%0.774SS**  trans164.5165152.4152.60000115.1
518A31.1Very low38.9Very low87 Ų87132.5 Ų132.572%0.71977%0.774SS**  trans-160.8-169.5174.100000111.2
519P49.2Very low37.7Very low122 Ų122136.7 Ų136.779%0.79278%0.783SS**  cis-142.6-133.4-0.943.3-18.6000116
520I30.1Very low37.4Very low164 Ų164136.5 Ų136.584%0.84178%0.78SS**  trans94.7-177.4173.6-54.3177.9000116.7
521K24.5Very low36.4Very low189 Ų189136.8 Ų136.882%0.82279%0.785SS**  trans-160.8166.8-146.1-161.5-160.9177-172.70110
522P50.8Low36.5Very low109 Ų109133.2 Ų133.271%0.70878%0.778SS**  cis-124.7-126.25.829.1-0.5000111.6
523P53.4Low36.3Very low105 Ų105131 Ų13168%0.68278%0.777SS**  cis-140.4-170.3-23.741.4-20.1000118
524Q27.2Very low36Very low168 Ų168135 Ų13579%0.78578%0.784SS**  trans65.5177.8161.3-55.8-65.449.600121.2
525L29.4Very low35.9Very low156 Ų156133.5 Ų133.582%0.81778%0.78SS**  -166.3140.2-71.5-163.599.3000113.2
526G28Very low35.1Very low64 Ų64132.8 Ų132.866%0.6678%0.776SS**  trans84.6173.1159.200000118.9
527T32.1Very low34.8Very low147 Ų147132.3 Ų132.390%0.90277%0.773SS**  cis-169.2173-26.41.70000112.2
528A29.4Very low36.1Very low93 Ų93130.9 Ų130.977%0.76977%0.766SS**  trans83.4138.1173.700000117.9
529K29.6Very low36.1Very low190 Ų190135 Ų13583%0.82677%0.771SS**  82140.552.3-114-165.1176.5-176.30112.6
530M30.6Very low35.1Very low151 Ų151136 Ų13674%0.74477%0.768SS**  cis-164.61721365.4-159.995.900114.5
531S29.9Very low35.9Very low117 Ų117133.3 Ų133.382%0.81876%0.761SS**  trans12.1161.3148.9-59.90000124.6
532A36Very low36Very low78 Ų78130.3 Ų130.365%0.64576%0.758SS**  cis-179.7174.7-17.600000112.7
533T29.6Very low35Very low129 Ų129132.4 Ų132.479%0.79176%0.758SS**  trans66.9159.5161.349.60000119.3
534Q28.5Very low33.8Very low183 Ų183133.4 Ų133.486%0.85576%0.762SS**  cis-150-178.55.6-133.7170.6115.300111.8
535Q27.1Very low33.8Very low167 Ų167131.9 Ų131.978%0.7876%0.764SS**  trans-146.9166.4-176.1-142.9-163.2-53.800111
536P47.5Very low33.8Very low105 Ų105127.2 Ų127.268%0.68275%0.754SS**  -142.4-91.583.523.93.4000121.9
537P54.6Low34.1Very low110 Ų110130.5 Ų130.571%0.71476%0.761SS**  trans-126.8-150.4-147.942.9-20000113.3
538P59.4Low33.9Very low114 Ų114134.4 Ų134.474%0.7476%0.759SS**  cis-141.6-172.4-6.543.8-23.8000118.3
539H30.9Very low33.8Very low175 Ų175138.3 Ų138.381%0.8176%0.762SS**  trans73.4150.2158.4-117.2-84.8000122.9
540I29.6Very low34.6Very low143 Ų143135.1 Ų135.173%0.73376%0.76SS**  trans-153.4-174.3-168.158.4173.2000109.4
541P46.3Very low34.6Very low107 Ų107131.3 Ų131.370%0.69576%0.76SS**  cis-140.3-139.85.937.9-11.9000115.1
542V27.2Very low34.7Very low126 Ų126132.7 Ų132.776%0.76476%0.763SS**  trans79.2156.3169.7176.50000116.6
543Q29.5Very low34.4Very low152 Ų152134 Ų13471%0.7177%0.774SS**  -154.4162.1-51.6-89.7-156.7109.100107.3
544V28.2Very low34.4Very low126 Ų126136.7 Ų136.776%0.76478%0.778SS**  cis104141.111.2-178.80000115.8
545V27.1Very low34.4Very low137 Ų137131.8 Ų131.883%0.8377%0.768SS**  trans78.6142.1-175.4-166.50000115.9
546G29.7Very low34.5Very low58 Ų58130.2 Ų130.260%0.59876%0.761SS**  cis160134-15.200000116.9
547T34.2Very low33.7Very low133 Ų133129.1 Ų129.182%0.81676%0.761SS**  trans36.8141.5150.960.20000124.5
548R27.2Very low32.6Very low228 Ų228132.4 Ų132.486%0.8677%0.771SS**  -175.3168.1117.7-102.7168177.7-81.8-5.6117.6
549Q27.7Very low31.1Very low176 Ų176130 Ų13082%0.82277%0.768SS**  trans-96.8-169.6-178.1-80.3-112.33000112.2
550P46.4Very low31Very low122 Ų122130.5 Ų130.579%0.79278%0.775SS**  cis-134.3-165.3-7.636-14.2000114.7
551G29.6Very low31.1Very low71 Ų71127.6 Ų127.673%0.73277%0.773SS**  trans164.2147.4156.500000117.6
552T32.9Very low30.4Very low146 Ų146130.8 Ų130.890%0.89678%0.778SS**  trans-148.9150.8-179.453.80000113.1
553A30.2Very low30.5Very low105 Ų105132.6 Ų132.687%0.86878%0.783SS**  trans176162.7144.600000116
554Q28.5Very low30.7Very low187 Ų187129.6 Ų129.687%0.87478%0.784SS**  trans-80.5-174.4168.7-73170.4-34.100112.2
555A29.5Very low30.9Very low79 Ų79128.6 Ų128.665%0.65379%0.789SS**  cis-178.9-174.2-35.400000108.1
556Q29.4Very low30.9Very low134 Ų134126.6 Ų126.663%0.62679%0.787SS**  trans68.2173.1167.8-61.5175.5-91.800116.5A742Q556-A742 HydrophobicContact CG-CB 4.19Å
557A29.7Very low31.1Very low82 Ų82130.2 Ų130.268%0.67880%0.797SS**  cis179.2162.4-40.900000108.1
558L32Very low31.7Very low179 Ų179129.9 Ų129.994%0.93780%0.797SS**  cis-165.1162-15.1-116.2173000109.4
559G27Very low31.9Very low64 Ų64125 Ų12566%0.6679%0.793SS**  trans154.8152.6169.500000113.4
560L28.6Very low32.1Very low186 Ų186121.6 Ų121.697%0.97479%0.788SS**  cis-138-177.58.5-80.8167.7000112.2
561A32.2Very low31.3Very low82 Ų82127.6 Ų127.668%0.67880%0.795SS**  trans-97.5-162-173.800000112.8
562Q31Very low31.1Very low173 Ų173127.9 Ų127.981%0.80880%0.799SS**  cis-171163.818.3-157.7134.73.500114.3
563L31Very low31.1Very low164 Ų164129.7 Ų129.786%0.85980%0.799SS**  trans74.7173.6151.6-92165.6000122.2
564A33.6Very low31.5Very low90 Ų90130.4 Ų130.474%0.74480%0.795SS**  trans-154.3-169.2-157.100000114.6
565A31Very low31.5Very low104 Ų104124.4 Ų124.486%0.8678%0.783SS**  trans100.4155-174.800000114.1
566A27.3Very low32.3Very low96 Ų96126.3 Ų126.379%0.79379%0.789SS**  cis-147.7-175.410.900000113.2
567V34.4Very low32.2Very low133 Ų133125.8 Ų125.881%0.80680%0.795SS**  trans-137.4142.4175.81760000110.2
568P45.9Very low32Very low126 Ų126130 Ų13082%0.81880%0.8SS**  trans-139.8-173.9136.337.2-22.1000114.1
569T31.3Very low31.7Very low126 Ų126126.9 Ų126.977%0.77379%0.794SS**  trans-118.9162.8-152.2-32.80000114.7
570S32.6Very low31.7Very low104 Ų104127.1 Ų127.173%0.72780%0.795SS**  110.4131.1129.178.70000122.7
571R29.5Very low31.8Very low248 Ų248127.4 Ų127.494%0.93679%0.792SS**  trans65.4119.6131-175.3-173.2-95.7-179.4-7.5120.4
572G24.8Very low31.6Very low78 Ų78126.6 Ų126.680%0.80479%0.785SS**  trans179.6113.1159.300000115.9
573M33Very low31.6Very low183 Ų183126.1 Ų126.190%0.90178%0.783SS**  trans-102.4151.4157.6-93-75-176.500106.9
574P39.9Very low31.5Very low121 Ų121125.8 Ų125.879%0.78678%0.781SS**  -152.5-17468.539.6-17.9000116.7
575G27.8Very low31.2Very low60 Ų60125 Ų12562%0.61978%0.775SS**  trans-82.2-150.8154.800000111.7
576P46.9Very low31.1Very low120 Ų120125.4 Ų125.478%0.77977%0.771SS**  cis-141.2-155.514.534.2-8.7000114.4
577V25.8Very low31.2Very low123 Ų123126.1 Ų126.175%0.74577%0.77SS**  trans71.6120.6166.3-156.50000115.3
578Q26.1Very low32.2Very low169 Ų169125.5 Ų125.579%0.7977%0.769SS**  cis104.6140.423.1-167.8-166.754.800113.4
579S26.3Very low32.5Very low115 Ų115124.4 Ų124.480%0.80476%0.762SS**  trans77.1133172.9-560000117.1
580G27.7Very low32.4Very low68 Ų68124.1 Ų124.170%0.70177%0.765SS**  cis164.1154-11.400000113.6
581Q29.8Very low32.7Very low193 Ų193124.7 Ų124.790%0.90277%0.769SS**  trans61.1149.4159.8-84.6179.5-45.400118.8
582A28.5Very low32.7Very low65 Ų65122.5 Ų122.554%0.53777%0.77SS.*  cis-162162-8.200000112.3
583H31.2Very low32.9Very low163 Ų163123.2 Ų123.276%0.75577%0.768SS**  trans55.1142.2146.1-61.7-36.7000120.2
584L28.9Very low33.5Very low156 Ų156120.7 Ų120.782%0.81777%0.765SS**  cis-154173.1-3.6-103.3161.5000105.8
585A26.5Very low32.9Very low75 Ų75118.5 Ų118.562%0.6276%0.764SS**  cis-155.9164.332.600000114.5
586S28.1Very low33.1Very low111 Ų111120 Ų12078%0.77677%0.771SS**  trans54.5121.7153.849.90000119.2
587S29.4Very low32.3Very low112 Ų112122.5 Ų122.578%0.78378%0.777SS**  trans-132.6-151.6179.4-49.50000110.1
588P56.3Low32.3Very low120 Ų120125.1 Ų125.178%0.77978%0.781SS**  trans-114.4-114.9-133.6227000110.5
589P52.3Low32.3Very low102 Ų102124.7 Ų124.766%0.66278%0.779SS**  cis-142.8-179.6-2842.3-23.7000117.3
590S30.2Very low32.2Very low121 Ų121125 Ų12585%0.84678%0.78SS**  trans69.4172.7138.3-730000122.8
591S38.5Very low33.7Very low116 Ų116127 Ų12781%0.81178%0.78SS**  trans-123.7-179.8-160.1-42.70000113.5
592Q28.4Very low35.1Very low202 Ų202123.4 Ų123.494%0.94477%0.774SS**  trans105.4158.9169.2-61.1-168.5-14.200116.8
593A28.7Very low35Very low92 Ų92126 Ų12676%0.7678%0.784SS**  trans-117.5-159.1-174.300000108.8
594P47.3Very low34.9Very low130 Ų130126.5 Ų126.584%0.84479%0.79SS**  cis-132.6-174.6-1541.7-24.9000114
595G25.5Very low35.1Very low75 Ų75123.3 Ų123.377%0.77379%0.787SS**  trans112.8117143.600000121.3
596A32Very low36.4Very low93 Ų93125.4 Ų125.477%0.76979%0.794SS**  trans48.5121.5139.100000125
597L30Very low36.3Very low172 Ų172123.3 Ų123.390%0.90179%0.79SS**  trans61114.5136.1-59.6173.9000122.6
598Q26.9Very low36.4Very low177 Ų177125.4 Ų125.483%0.82779%0.79SS**  trans-156.4-170.4138.9-143.4166.9-10.900113.6
599E25.1Very low35.1Very low161 Ų161125.7 Ų125.775%0.75279%0.789SS**  trans-84.5-176.3-149.2-68.7155.569.800119
600C24.5Very low33.9Very low120 Ų120128.8 Ų128.881%0.81180%0.799SS**  trans-109.3-165.4175.3-40.60000110.6
601P60.7Low33.9Very low111 Ų111127.3 Ų127.372%0.72180%0.795SS**  cis-118.9-155.1-17.145.4-29.2000110.4
602P58.5Low34.1Very low118 Ų118127.3 Ų127.377%0.76679%0.792SS**  cis-126.1145.346.49.617.6000115
603T26.1Very low33.9Very low120 Ų120123.3 Ų123.374%0.73678%0.781SS**  87.1102.480.3-53.10000116.9
604L29.8Very low33.8Very low172 Ų172128 Ų12890%0.90179%0.787SS**  -178.3160.3128.6-97.5172.9000111.2
605A31.9Very low33.1Very low90 Ų90124.7 Ų124.774%0.74478%0.776SS**  trans-155.7-167-171.600000109.9
606P54.3Low33.4Very low118 Ų118127.8 Ų127.877%0.76678%0.78SS**  cis-135.8-174.5-8.342.5-25.1000114.9
607G26.8Very low33.4Very low68 Ų68126.8 Ų126.870%0.70177%0.772SS**  trans174.589.6167.200000119.6
608M31.5Very low33.6Very low156 Ų156127 Ų12777%0.76877%0.768SS**  trans16.7120.9153.6-31.4-48.3164.100120.1
609T28.4Very low33.9Very low125 Ų125124 Ų12477%0.76776%0.762SS**  76.8118.164-510000115.9
610L26.4Very low34.2Very low168 Ų168122.4 Ų122.488%0.8876%0.763SS**  trans147.3146.7139.8-81.3179.2000114.4
611A29.6Very low34.5Very low90 Ų90125.9 Ų125.974%0.74476%0.764SS**  trans-118.2149.8156.700000108.7
612P42.9Very low32.9Very low116 Ų116124.4 Ų124.475%0.75377%0.769SS**  -146.6143.2119.230.1-10.4000113.6
613V25.7Very low31.5Very low118 Ų118122.6 Ų122.672%0.71577%0.772SS**  77.912280.5179.20000116.1
614Q26.4Very low31.7Very low190 Ų190121 Ų12189%0.88877%0.771SS**  trans61.9152.6159.9-70.2157.8600119.7
615G31.2Very low31.7Very low60 Ų60118.8 Ų118.862%0.61977%0.765SS**  cis152.6164.3-11.200000114.7
616T33.5Very low31.5Very low140 Ų140120.6 Ų120.686%0.85977%0.767SS**  trans66.2159163.821.10000117.6
617A31.5Very low30.4Very low73 Ų73119.6 Ų119.660%0.60376%0.762SS**  cis-160145.31.700000114
618H34Very low30.6Very low176 Ų176121.8 Ų121.882%0.81577%0.767SS**  trans71160.2138.1-71.1-139.1000118.6
619V32.8Very low31.7Very low114 Ų114119.7 Ų119.769%0.69177%0.765SS**  cis-158.1141.212.287.90000114.7
620V32.5Very low31.8Very low127 Ų127120.3 Ų120.377%0.7777%0.769SS**  trans61.3148.8136.8144.20000121.4
621K30.1Very low32Very low194 Ų194118.9 Ų118.984%0.84377%0.766SS**  cis-178.6150.6-5.5169.9179.2176.5-177.10114.2
622G26.2Very low32Very low80 Ų80118.8 Ų118.883%0.82577%0.766SS**  trans93.4153159.400000116.4
623G29.8Very low31.3Very low80 Ų80121.6 Ų121.683%0.82577%0.769SS**  cis131.3138-1.200000112.1
624A29.8Very low31.4Very low87 Ų87122 Ų12272%0.71977%0.771SS**  cis-166.11770.800000113.7
625T29.8Very low32.6Very low125 Ų125118.6 Ų118.677%0.76777%0.766SS**  trans70.6128150.9450000125.4
626T28.9Very low32.4Very low128 Ų128120.4 Ų120.479%0.78578%0.775SS**  trans65.9150.6141.452.90000122.4
627S30.9Very low32.3Very low96 Ų96118 Ų11867%0.67177%0.769SS**  cis-177.4145-2054.70000114.9
628S30.4Very low32.2Very low114 Ų114124.3 Ų124.380%0.79778%0.783SS**  trans71.2170.6148.8-59.70000121.1
629P54.8Low32.1Very low113 Ų113126.5 Ų126.573%0.73479%0.786SS**  -144.9173-53.142.9-26.8000117.5
630V29.8Very low31.9Very low138 Ų138128.4 Ų128.484%0.83679%0.789SS**  trans69.8145.9149.4155.20000117.6
631V32Very low31.7Very low137 Ų137130.8 Ų130.883%0.8379%0.792SS**  cis-136.9175.335.5-167.60000113.2
632A29.8Very low31.7Very low89 Ų89126.8 Ų126.874%0.73679%0.788SS**  trans-73.2176.4178.400000115.2
633Q26.8Very low31.8Very low175 Ų175129.9 Ų129.982%0.81879%0.791SS**  -174.512750.4177.1172.3-6.400115.2
634V28.2Very low31.7Very low126 Ų126134.7 Ų134.776%0.76479%0.792SS**  trans32.1143.2132.7-169.60000121.1
635P52.3Low31.7Very low119 Ų119137.6 Ų137.677%0.77379%0.794SS**  cis-135.1174.6-21.639.4-23000115.7
636A26.8Very low32.1Very low98 Ų98138 Ų13881%0.8180%0.798SS**  trans172.3155.7130.900000115.7
637A31.6Very low32Very low89 Ų89135.4 Ų135.474%0.73680%0.798SS**  trans74.1128.6150.100000123.6
638F30Very low31.8Very low205 Ų205140.7 Ų140.790%0.89981%0.809SS**  trans16.7127.2141.4-69.4-98.3000121.3
639Y31.4Very low32.2Very low222 Ų222140.4 Ų140.487%0.87180%0.804SS**  -164.4178.394.8-153.5-111.3000111.4
640M27.8Very low30.9Very low155 Ų155143.3 Ų143.376%0.76481%0.808SS**  trans-99.3145.3174.8-60.3-161.578.900112.3
641Q28.6Very low30.8Very low177 Ų177143.1 Ų143.183%0.82781%0.807SS**  trans-155.4133.8155-156.869.550.700110.8
642S29.9Very low30.6Very low110 Ų110144.4 Ų144.477%0.76981%0.808SS**  trans-90.5134.9178.9-51.90000111.8
643V28.3Very low31Very low145 Ų145145.3 Ų145.388%0.87981%0.807SS**  trans-143.1160.1161.9-140.80000112.1
644H28.7Very low30.9Very low181 Ų181143 Ų14384%0.83881%0.805SS**  trans-80160.6-161.5-145.6-99.5000115.4
645L27.9Very low30.9Very low148 Ų148144.4 Ų144.478%0.77580%0.8SS**  trans-63.5154.6158.8-113.273.5000110.6
646P40Very low29.9Very low132 Ų132148 Ų14886%0.85780%0.799SS**  -150.1174.761.540.7-21.3000117.4
647G26.9Very low29.9Very low75 Ų75152.4 Ų152.477%0.77380%0.799SS**  trans154.287.7164.400000117.3
648K26.1Very low29.6Very low207 Ų207152.9 Ų152.990%0.980%0.803SS**  trans-90.7161.1158.3-78.9178.4179.9176.30108
649P39.2Very low29.4Very low107 Ų107150.8 Ų150.870%0.69580%0.802SS**  cis-153.3160.13942.7-21.3000120.9
650Q27.3Very low29.3Very low174 Ų174145 Ų14581%0.81379%0.793SS**  trans63153.8135.5-71.1-171.950.300125.2
651T26.9Very low29.3Very low134 Ų134146.8 Ų146.882%0.82280%0.8SS**  trans87.8134.7152.630.90000122
652L27.1Very low29.3Very low164 Ų164147.8 Ų147.886%0.85981%0.805SS**  trans-90.7-171179.5-52163000109.5
653P38.6Very low29.4Very low109 Ų109149.4 Ų149.471%0.70880%0.8SS**  cis-142.2-174.1-0.740.1-19.7000116.7
654V25.2Very low29.6Very low127 Ų127153.4 Ų153.477%0.7780%0.799SS**  trans74.1142.6143146.80000119.3
655K27.3Very low29.7Very low154 Ų154150.5 Ų150.567%0.6779%0.79SS**  cis-176.3157.6-15.4-171-174.5171.7169.40111.4
656R32.3Very low29.6Very low195 Ų195150 Ų15074%0.73679%0.788SS**  trans80.8150.7167.9-43.1177.6-173.681.2-8.8113.7
657K25.9Very low29.2Very low190 Ų190149.1 Ų149.183%0.82678%0.78SS**  cis-129.9131.510.4-63.5159.9-177.2-85.60107.7
658A27Very low29.2Very low99 Ų99150.6 Ų150.682%0.81878%0.778SS**  7899.367.300000114
659D25.5Very low29.6Very low162 Ų162145.7 Ų145.787%0.86677%0.766SS**  trans-157.9153.8145.2-150.3-130.2000107.6
660S29.5Very low29.1Very low99 Ų99149.1 Ų149.169%0.69278%0.778SS**  trans-165.7175.8-171.9-71.40000112.6
661E27.5Very low29.2Very low193 Ų193143.9 Ų143.990%0.90277%0.77SS**  trans80.7138.7175.8-55.4163.7167.600113.3
662E28.6Very low29.3Very low199 Ų199142.9 Ų142.993%0.9377%0.769SS**  cis-135.8-1787-159.416969.800112.5
663E32Very low29.4Very low143 Ų143143.2 Ų143.267%0.66877%0.768SS**  trans-94.8151.8-159.3176.3-123.986.800115.7
664R31.4Very low28.9Very low229 Ų229145.5 Ų145.586%0.86477%0.773SS**  -164.2150.3125.6-116.7-170.7164.6-177.5-7.8117.6
665D30.9Very low29.8Very low121 Ų121144.7 Ų144.765%0.64777%0.771SS**  trans-47.7169.6176.3-81.4-81.8000119
666D25.5Very low29.8Very low137 Ų137141.7 Ų141.773%0.73378%0.775SS**  cis-152.2148.837.9-173.9-77.6000116.2S668D666-S668 PolarHBondContact OD1-N 3.07Å
667V31.4Very low29.5Very low113 Ų113141.8 Ų141.869%0.68578%0.78SS**  trans-149.2127144.361.90000112.5T669V667-T669 PolarHBondContact O-OG1 3.21Å
668S29Very low29.5Very low106 Ų106137 Ų13774%0.74178%0.776SS**  trans-129.4119.1164.1-74.70000111.2D666D666-S668 PolarHBondContact OD1-N 3.07Å
669T33.3Very low29.6Very low104 Ų104137.6 Ų137.664%0.63878%0.775SS**  cis97.6109.318.6-54.60000115.3V667V667-T669 PolarHBondContact O-OG1 3.21Å
670L29.3Very low30.5Very low180 Ų180134.9 Ų134.994%0.94277%0.766SS**  trans-161.5146.7139.8-77-169.7000107.4
671G28.8Very low30.4Very low64 Ų64136.8 Ų136.866%0.6677%0.773SS**  cis153.8134.9-9.500000112.3
672S29.5Very low30.3Very low113 Ų113131.4 Ų131.479%0.7976%0.761SS**  trans69146.3171.2-69.30000118
673M29.2Very low30.1Very low170 Ų170130.7 Ų130.784%0.83776%0.758SS**  cis-153.6171.5-5.7-108.3-56.8156.600111.9
674L28.3Very low30.1Very low158 Ų158129.1 Ų129.183%0.82776%0.763SS**  trans-77.6-179.9171.7-74173.8000112.2
675P44.4Very low30.6Very low110 Ų110123.1 Ų123.171%0.71475%0.754SS**  cis-146.4178.915.944.9-25.6000119.7
676A26.2Very low30.3Very low91 Ų91126.7 Ų126.775%0.75276%0.763SS**  trans69.8153.5147.800000119.3
677K26.1Very low30.4Very low196 Ų196126.2 Ų126.285%0.85277%0.765SS**  cis-159.2160.1-7.7-117.8-104.7-172.6170.50110.5
678A26.3Very low30.2Very low90 Ų90127.9 Ų127.974%0.74477%0.767SS**  trans64.2111.3149.800000121.4
679S28.1Very low30.2Very low112 Ų112129.7 Ų129.778%0.78377%0.769SS**  trans-71.2174.3138.8-139.40000109.3
680P46.2Very low29.9Very low105 Ų105131.2 Ų131.268%0.68277%0.769SS**  cis-153.5177.825.945-23.5000120.4
681V25.9Very low30.1Very low138 Ų138129.8 Ų129.884%0.83676%0.755SS**  trans73.6153.6135.8148.20000122.3
682A26.8Very low29.9Very low80 Ų80132 Ų13266%0.66176%0.76SS**  trans107.8107.3155.300000119.6
683E24.8Very low29.6Very low185 Ų185132.2 Ų132.286%0.86476%0.761SS**  trans47.4119.4132.4-73.9163.154.200123.2
684S31.2Very low29.6Very low109 Ų109132 Ų13276%0.76276%0.763SS**  trans-87.4152.8136.5-1670000108.5
685P42.7Very low29.5Very low104 Ų104127.9 Ų127.968%0.67576%0.759SS**  -151.4147.895.237.3-19.7000117.6
686K24.5Very low28.6Very low195 Ų195131.3 Ų131.385%0.84877%0.765SS**  trans47.8143.1139.7-63.4-179.4175.6-178.30122.2
687V26.7Very low28.7Very low128 Ų128135.6 Ų135.678%0.77677%0.767SS**  -171.7165.7112.9140.30000111.3
688M27.9Very low28.8Very low148 Ų148130 Ų13073%0.72976%0.757SS**  trans-79-176.6-173.961.2-89.8172.700114.4
689D27.6Very low28.8Very low143 Ų143134.1 Ų134.177%0.76576%0.761SS**  cis-159.7-158.624.7-150.9-94.4000114.9
690E27.2Very low28.8Very low137 Ų137133.7 Ų133.764%0.6476%0.758SS**  trans-55.8137.3-173.9-75.7-162.53.900116
691K33.7Very low28Very low150 Ų150135.5 Ų135.565%0.65277%0.767SS**  75.4110.167.1150.4-104.8-171.8169.80116.4
692S24.9Very low28.1Very low111 Ų111132.6 Ų132.678%0.77676%0.757SS**  trans-179.4149.5133.5-83.40000115.9
693S24.1Very low27.9Very low116 Ų116135.9 Ų135.981%0.81176%0.764SS**  trans72.5142.9156.2-151.70000122.6
694L28.2Very low28.2Very low166 Ų166134.5 Ų134.587%0.86976%0.759SS**  trans-77.9165.4158.9-6579.3000109.6
695G26.6Very low28.1Very low72 Ų72137.4 Ų137.474%0.74277%0.766SS**  cis171.9-168.9-2.900000113.2
696E24.6Very low27.4Very low182 Ų182136.1 Ų136.185%0.8576%0.764SS**  trans68.1103176.3-80.7-161.572.100121.3
697K28.3Very low27.5Very low180 Ų180134.7 Ų134.778%0.78377%0.766SS**  81.4111.5113.7-165.4-177.1179.2-173.30121.5
698A27.9Very low27.9Very low79 Ų79134.8 Ų134.865%0.65377%0.767SS**  trans68.8150.7152.900000117.5
699E27.4Very low28.9Very low176 Ų176133.8 Ų133.882%0.82277%0.772SS**  cis-152.3167.8-1-138.3168103.400111.9
700S28Very low28.8Very low103 Ų103130.5 Ų130.572%0.7277%0.772SS**  trans41.4117.5162.365.40000121.6
701V28.2Very low29.1Very low143 Ų143129.6 Ų129.687%0.86778%0.78SS**  trans-82.6111.1153.2-178.10000106.6
702A28.5Very low28.7Very low77 Ų77130.7 Ų130.764%0.63679%0.788SS**  72.6120.664.500000114.4
703N24.1Very low29Very low150 Ų150132.1 Ų132.180%0.80279%0.786SS**  trans-145.694.4162.5-165.633.3000112.7
704M31.1Very low29.5Very low155 Ų155132.8 Ų132.876%0.76479%0.785SS**  trans47.1114.1145.5-50.1-48.1155.500122.5
705N28.5Very low29.3Very low170 Ų170129 Ų12991%0.90978%0.778SS**  trans83.8157.9132.7-150.314.9000118.9
706A28.1Very low29.5Very low77 Ų77132.7 Ų132.764%0.63678%0.779SS**  trans-125.4161.5-156.700000114.1
707N27.1Very low29.7Very low166 Ų166129.9 Ų129.989%0.88878%0.775SS**  trans-157.6154.8139.2-111.9-27.1000111.7
708T33.5Very low30.5Very low129 Ų129127.3 Ų127.379%0.79178%0.776SS**  trans-129.5174.8176.916.40000108.6
709P49.7Very low30.7Very low128 Ų128127.8 Ų127.883%0.83178%0.781SS**  cis-125.2-176.7-19.935.5-18.4000112.4
710G24.9Very low31.6Very low74 Ų74125 Ų12576%0.76378%0.778SS**  trans-172.7148.3169.100000112.6
711S33Very low31.5Very low117 Ų117124.8 Ų124.882%0.81878%0.777SS**  trans-122.9158.7-168.4-63.20000114.6
712E27.1Very low31.8Very low174 Ų174124.2 Ų124.281%0.81377%0.773SS**  trans85.5132.7143.7-95.7-170.7120.200124.5
713L30.8Very low32.7Very low141 Ų141126.2 Ų126.274%0.73878%0.78SS**  trans78.698.9136.8-127.674.2000124.8
714V32.9Very low34Very low129 Ų129124.1 Ų124.178%0.78277%0.774SS**  50.4123.8127.6-178.10000122.4
715A26Very low34.9Very low87 Ų87122.9 Ų122.972%0.71978%0.777SS**  177.4114.6120.700000117.2
716L29.6Very low35Very low149 Ų149120.6 Ų120.678%0.7877%0.77SS**  44.6107.7128.5-60.1178.3000121.7
717T29.6Very low35.5Very low123 Ų123124.9 Ų124.976%0.75578%0.781SS**  85.3153.77753.40000116.1
718P45.4Very low35.8Very low126 Ų126121.9 Ų121.982%0.81878%0.78SS**  cis-138.7-17930.242.5-22.8000119.5
719A31.5Very low35.9Very low90 Ų90124.6 Ų124.674%0.74479%0.785SS**  trans-114.7-145.8175.400000111
720P45Very low35Very low116 Ų116125.9 Ų125.975%0.75379%0.791SS**  cis-101-150.916.944.6-40.2000113.5
721S26.4Very low35.3Very low100 Ų100126.8 Ų126.870%0.69979%0.785SS**  cis-151.2164.510-96.60000109.7
722V34.7Very low35.3Very low131 Ų131132 Ų13279%0.79479%0.787SS**  cis107.3129.516.41740000114.4
723P48.1Very low35.5Very low119 Ų119132 Ų13277%0.77379%0.787SS**  trans-121.8-102.1-144.4224.7000122.2
724P51.7Low35.5Very low105 Ų105134.5 Ų134.568%0.68280%0.797SS**  -110.8-170.6-127.342.8-31.5000115.8
725P48.3Very low35.5Very low129 Ų129132 Ų13284%0.83880%0.798SS**  -151.2-150115.242-23.9000116.1
726T31.4Very low35.9Very low123 Ų123135.7 Ų135.776%0.75581%0.805SS**  trans-139.2154.1-147.8-49.70000114.5
727L38.3Very low36.2Very low167 Ų167133.6 Ų133.687%0.87480%0.803SS**  trans20.4134.3161.8-65.9171.3000122.3
728A32.8Very low36.5Very low103 Ų103137.2 Ų137.285%0.85181%0.808SS**  trans-149.2161.8150.900000111.6
729M35.7Very low36.5Very low185 Ų185136.2 Ų136.291%0.91180%0.802SS**  trans-123.5149.3174.8-57.2-179-175.500110.5
730V32.5Very low36.9Very low156 Ų156137.3 Ų137.395%0.94580%0.802SS**  trans-172.2159.8141134.20000113.1
731S31.3Very low36.6Very low92 Ų92140.1 Ų140.164%0.64381%0.805SS**  trans-90.8153.8-155.1-1520000117.7
732R31.4Very low37.4Very low228 Ų228137.9 Ų137.986%0.8679%0.792SS**  trans72.9162157.8-32-148104.6-173.32.6116.4
733Q32.2Very low37.8Very low173 Ų173139.2 Ų139.281%0.80879%0.793SS**  cis-15515717.4-169.3174.27.500112
734M31.3Very low37.4Very low194 Ų194139.5 Ų139.596%0.95679%0.792SS**  trans57.2152.5172.578.9174.3-171.200119.1
735G31.7Very low37.1Very low77 Ų77141.4 Ų141.479%0.79479%0.79SS**  cis153.893-15.700000116.1
736D35.8Very low37Very low163 Ų163140.3 Ų140.387%0.87278%0.783SS**  trans-156.3162.9141.6-170.8-129.5000110.3
737S35.4Very low37.7Very low106 Ų106141.1 Ų141.174%0.74178%0.778SS**  trans-123.7120.7-159.2-590000115.5
738K36Very low38.2Very low198 Ų198139.1 Ų139.186%0.86177%0.767SS**  trans-142113.1159-159.2171.6-172.1176.10110.3
739P45.6Very low39.1Very low106 Ų106138 Ų13869%0.68875%0.746SS**  trans-70.5140-17728.1-33.9000111Q741P739-Q741 PolarHBondContact O-N 3.01Å
740P40.1Very low40.5Very low113 Ų113132.2 Ų132.273%0.73472%0.721SS**  trans-69.2113.3173.228.2-32.7000109.5A742P740-A742 PolarHBondContact O-N 3.16Å
741Q36.8Very low41.8Very low175 Ų175130.8 Ų130.882%0.81870%0.704SS**  trans-64.5123.2172.3-69.3-175.8-6.100109.2P739 I743P739-Q741 PolarHBondContact O-N 3.01Å; Q741-I743 PolarHBondContact O-N 3.17Å
742A43.9Very low43.7Very low52 Ų52131.6 Ų131.643%0.4370%0.7SS.*  trans-70102176.300000110.1Q556 P740 V744Q556-A742 HydrophobicContact CG-CB 4.19Å; P740-A742 PolarHBondContact O-N 3.16Å; A742-V744 HydrophobicContact CB-CG2 4.46Å; A742-V744 PolarHBondContact O-N 3.12Å
743I44.1Very low45.3Very low159 Ų159125.2 Ų125.282%0.81568%0.682SS**  trans-72.382.7171.5-57.7178.2000108.4Q741 K745Q741-I743 PolarHBondContact O-N 3.17Å; I743-K745 VanDerWaalsContact C-N 3.29Å; I743-K745 PolarHBondContact O-N 3.38Å
744V39.9Very low46.8Very low125 Ų125125.8 Ų125.876%0.75869%0.685SS**  trans-73.788.5168.3-178.10000107.5A742 P746A742-V744 HydrophobicContact CB-CG2 4.46Å; A742-V744 PolarHBondContact O-N 3.12Å; V744-P746 WeakPolarHBondContact O-CD 3.45Å
745K45.1Very low48.3Very low145 Ų145119.8 Ų119.863%0.6367%0.672SS**  trans-60.4119.5175.3-173.1173.8-178.3177.40108.4I743 Q747I743-K745 VanDerWaalsContact C-N 3.29Å; I743-K745 PolarHBondContact O-N 3.38Å; K745-Q747 PolarHBondContact O-N 3.41Å
746P45.5Very low49.3Very low107 Ų107124 Ų12470%0.69567%0.669SS**  trans-69.4103.1-178.627.2-33.2000109.3V744 I748V744-P746 WeakPolarHBondContact O-CD 3.45Å; P746-I748 PolarHBondContact O-N 3.4Å
747Q46.3Very low50.9Low140 Ų140120.4 Ų120.465%0.65465%0.653SS**  trans-8287.4-177.2-145.9154.45.300107.9K745 L749 Q759K745-Q747 PolarHBondContact O-N 3.41Å; Q747-L749 PolarHBondContact O-N 2.94Å; Q747-Q759 VanDerWaalsContact NE2-CD 3.29Å
748I48.3Very low52Low125 Ų125119.5 Ų119.564%0.64164%0.639SS**  trans-68.198.8-177.5-55.5179.8000108.3P746 T750P746-I748 PolarHBondContact O-N 3.4Å; I748-T750 HydrophobicContact CG2-CG2 3.97Å; I748-T750 PolarHBondContact O-N 3.21Å
749L52.2Low52.9Low79 Ų79115.5 Ų115.541%0.41462%0.623SS.*  trans-81.497174.7-166.776.4000108.9Q747 I752 V757Q747-L749 PolarHBondContact O-N 2.94Å; L749-I752 HydrophobicContact CD2-CD1 3.88Å; L749-I752 HydrophobicContact CD2-CG1 3.86Å; L749-V757 HydrophobicContact CD1-CG1 3.35Å; L749-V757 HydrophobicContact CD2-CG1 4.14Å; L749-V757 HydrophobicContact CG-CG1 4.35Å
750T66.1Low53.6Low64 Ų64116.8 Ų116.839%0.39362%0.62SS.*  trans-71.8-52-173.842.20000112I748 E760I748-T750 HydrophobicContact CG2-CG2 3.97Å; I748-T750 PolarHBondContact O-N 3.21Å; T750-E760 WeakPolarHBondContact CG2-OE2 3.47Å
751H59.6Low54.2Low126 Ų126114.3 Ų114.358%0.58362%0.615SS**EExtended strand (participates in β ladder)trans-139142.6-177.6-60.8-32.1000114.1I758H751-I758 WeakPolarHBondContact O-CB 3.36Å; H751-I758 PolarHBondContact O-N 2.83Å
752I71.3Confident54.9Low109 Ų109109.9 Ų109.956%0.55961%0.608SS**EExtended strand (participates in β ladder)trans-112.9129161.9-59.2176000106.7L749 F756L749-I752 HydrophobicContact CD2-CD1 3.88Å; L749-I752 HydrophobicContact CD2-CG1 3.86Å; I752-F756 WeakPolarHBondContact CA-O 3.45Å
753I63.6Low55Low94 Ų94115.5 Ų115.548%0.48263%0.626SS.*EExtended strand (participates in β ladder)trans-130.2126.4176.8-59.2178.8000107.6G755 F756 I758I753-G755 PolarHBondContact O-N 2.98Å; I753-F756 PolarHBondContact N-O 3.44Å; I753-F756 VanDerWaalsContact N-O 3.16Å; I753-F756 PolarHBondContact O-N 3.4Å; I753-I758 HydrophobicContact CD1-CD1 4.21Å
754E65.3Low55.4Low185 Ų185113.7 Ų113.786%0.86462%0.624SS**THydrogen-bonded Turntrans5036.5169.8-62.7178.9157.900115.1
755G62.7Low55.2Low67 Ų67117 Ų11769%0.69163%0.629SS**THydrogen-bonded Turntrans91.4-10.3178.600000115I753I753-G755 PolarHBondContact O-N 2.98Å
756F51.1Low55.3Low165 Ų165116 Ų11672%0.72464%0.637SS**EExtended strand (participates in β ladder)trans-95.4134.1177.7-65.5-84.6000111.9I752 I753I752-F756 WeakPolarHBondContact CA-O 3.45Å; I753-F756 PolarHBondContact N-O 3.44Å; I753-F756 VanDerWaalsContact N-O 3.16Å; I753-F756 PolarHBondContact O-N 3.4Å
757V69.2Low55.3Low89 Ų89117.5 Ų117.554%0.53964%0.644SS.*EExtended strand (participates in β ladder)trans-96.498.8-173.9176.40000108.2L749 Q759L749-V757 HydrophobicContact CD1-CG1 3.35Å; L749-V757 HydrophobicContact CD2-CG1 4.14Å; L749-V757 HydrophobicContact CG-CG1 4.35Å; V757-Q759 PolarHBondContact O-N 2.89Å
758I59.8Low55Low86 Ų86114.5 Ų114.544%0.44165%0.651SS.*EExtended strand (participates in β ladder)trans-79112-179.5-55.5178.5000108.2H751 I753H751-I758 WeakPolarHBondContact O-CB 3.36Å; H751-I758 PolarHBondContact O-N 2.83Å; I753-I758 HydrophobicContact CD1-CD1 4.21Å
759Q53.6Low54.3Low115 Ų115114 Ų11454%0.53766%0.657SS.*PPolyproline II helixtrans-103.4119.9177.5-167.8163.9112.600109.6Q747 V757 G761Q747-Q759 VanDerWaalsContact NE2-CD 3.29Å; V757-Q759 PolarHBondContact O-N 2.89Å; Q759-G761 PolarHBondContact O-N 3.24Å
760E60.3Low54Low132 Ų132115.8 Ų115.862%0.61768%0.676SS**PPolyproline II helixtrans-67.9127.8-176.7-167169.3169.500110.9T750T750-E760 WeakPolarHBondContact CG2-OE2 3.47Å
761G54.6Low52.6Low61 Ų61121 Ų12163%0.62970%0.696SS**PPolyproline II helixtrans-65.1134.4178.300000110.9Q759 E763Q759-G761 PolarHBondContact O-N 3.24Å; G761-E763 PolarHBondContact O-N 3.27Å; G761-E763 VanDerWaalsContact O-N 3.13Å
762A50.5Low51.6Low82 Ų82123.2 Ų123.268%0.67871%0.711SS**SBendtrans-76.97.7-177.100000114.4
763E46.8Very low50.2Low171 Ų171126 Ų12680%0.79973%0.726SS**SBendtrans-124.7136.2175.9-63-167.1137.900109.7G761G761-E763 PolarHBondContact O-N 3.27Å; G761-E763 VanDerWaalsContact O-N 3.13Å
764P52Low48.9Very low120 Ų120130.7 Ų130.778%0.77974%0.743SS**  trans-68.7139.9176.929.6-34.3000110.6
765F36.1Very low47.3Very low196 Ų196130.9 Ų130.986%0.8674%0.744SS**  trans-51.5124.2179.3-75.7-88.2000111.8V767F765-V767 PolarHBondContact O-N 2.91Å; F765-V767 VanDerWaalsContact O-N 3.1Å
766P47.5Very low45.7Very low124 Ų124133.7 Ų133.781%0.80575%0.754SS**  trans-67.9112.3-179.826.1-33.2000110.4G768P766-G768 PolarHBondContact O-N 3.45Å
767V43.9Very low44.9Very low137 Ų137132.7 Ų132.783%0.8375%0.751SS**  trans-75.170.6177.5-750000111.4F765 C769F765-V767 PolarHBondContact O-N 2.91Å; F765-V767 VanDerWaalsContact O-N 3.1Å; V767-C769 PolarHBondContact O-N 2.82Å
768G41.3Very low43Very low78 Ų78136.9 Ų136.980%0.80476%0.762SS**  trans-64.393.6-179.200000113.2P766P766-G768 PolarHBondContact O-N 3.45Å
769C33.9Very low41.9Very low114 Ų114138.2 Ų138.277%0.7778%0.776SS**  trans-97.1117.3165.4-68.20000110.2V767V767-C769 PolarHBondContact O-N 2.82Å
770S45.5Very low40.6Very low117 Ų117140.8 Ų140.882%0.81879%0.793SS**SBendtrans57.581.7156.9-53.10000118.6
771Q37Very low39.1Very low172 Ų172142.5 Ų142.580%0.80480%0.801SS**  trans-136.44156.8-83.6-65.419.300115.6L773Q771-L773 PolarHBondContact O-N 3.31Å
772L38.7Very low37.8Very low173 Ų173146.5 Ų146.591%0.90681%0.813SS**THydrogen-bonded Turntrans-78.383.7175.4-17178.7000110.8
773L40.4Very low36.7Very low167 Ų167146.1 Ų146.187%0.87482%0.817SS**THydrogen-bonded Turntrans178.831.8144.4-100.2178000115.6Q771Q771-L773 PolarHBondContact O-N 3.31Å
774K37.2Very low35.7Very low194 Ų194146 Ų14684%0.84382%0.821SS**  trans-153.167.3172.4-153.472.7178.8-178.50117.8
775E30.9Very low35.2Very low188 Ų188145.1 Ų145.188%0.87982%0.815SS**  trans-152.9124.7152.8-155.9170.795.500113.6
776S30Very low34.7Very low127 Ų127142.2 Ų142.289%0.88881%0.814SS**  trans-168.1127.3150.5-159.80000108
777E34.4Very low33.7Very low144 Ų144139.2 Ų139.267%0.67381%0.805SS**  trans-115.4142.9-175.7-52.5-176.6123.800112.2
778K28.9Very low33.2Very low177 Ų177140.3 Ų140.377%0.7781%0.806SS**  -174.7156.2117.4-116.463.9-169.2168.90110.1
779P36.8Very low32.6Very low114 Ų114142.1 Ų142.174%0.7480%0.801SS**  trans-105.8159.4-173.538.8-31.9000113.8
780L25.8Very low32.4Very low168 Ų168145.6 Ų145.688%0.8881%0.806SS**  trans-146.4162.2144.1-142.869.9000111.6
781Q29.5Very low31.6Very low168 Ų168145.8 Ų145.879%0.78580%0.798SS**  trans-77.5156.3-160.6-55156.139.400113.8
782T26.9Very low31.6Very low145 Ų145145.7 Ų145.789%0.8980%0.798SS**  166.7139109.2-65.40000111
783G27Very low31.4Very low74 Ų74143.2 Ų143.276%0.76380%0.795SS**  trans115.386.2158.800000118.4
784L25.9Very low30.9Very low169 Ų169139.2 Ų139.289%0.88579%0.794SS**  trans-94.4173.9150.2-131.165.1000107.2
785P41Very low30.7Very low101 Ų101133.5 Ų133.566%0.65679%0.79SS**  cis-141.7-177.81.838.9-18.4000117.9
786T27.4Very low31.8Very low135 Ų135130.1 Ų130.183%0.82879%0.785SS**  trans88.3134.1156.6-29.70000116.5
787G25.4Very low32.2Very low61 Ų61131.9 Ų131.963%0.62978%0.783SS**  cis161.7165.6-900000113
788L34.2Very low32.3Very low161 Ų161128.7 Ų128.784%0.84379%0.789SS**  trans77.4117.2173.6-50.7179.3000119
789T28Very low32.9Very low115 Ų115127.8 Ų127.871%0.70680%0.798SS**  44119.4121.1-43.30000120.7
790E28.7Very low32.7Very low187 Ų187129 Ų12987%0.87480%0.798SS**  -168.5-168.391.3-161.1135.5104.100111.6
791N30.5Very low33.5Very low122 Ų122125.3 Ų125.365%0.65279%0.786SS**  trans-151136.9-157.5-179.2-99.4000112.9
792Q35.3Very low34.3Very low170 Ų170123 Ų12379%0.79479%0.786SS**  trans66.8137163.9-77.1-178.6107.900121.8
793S35.3Very low34.6Very low121 Ų121122.2 Ų122.285%0.84679%0.786SS**  trans58.4104.9135.2-173.80000120.7
794G30.3Very low35.5Very low83 Ų83122.7 Ų122.786%0.85678%0.783SS**  trans-169.1121.6159.900000114.6
795G31.9Very low36.6Very low73 Ų73123.2 Ų123.275%0.75378%0.781SS**  trans-144.6-178.4158.400000108.3
796P55Low37Very low118 Ų118126 Ų12677%0.76679%0.789SS**  cis-132.8-154.29.734.2-11.1000113.2
797L38.2Very low38Very low164 Ų164126.4 Ų126.486%0.85979%0.787SS**  trans90.481.1164-50.3-178.1000119.5
798G36.2Very low39.3Very low77 Ų77132 Ų13279%0.79479%0.793SS**  76.510810200000121.6
799V41.5Very low40.2Very low157 Ų157132.7 Ų132.795%0.95279%0.79SS**  trans-140.7158.5134.1166.40000107
800D32.8Very low41.7Very low139 Ų139131.1 Ų131.174%0.74379%0.788SS**  trans-104146.6-163.4-170.3-111.2000115.5
801S42.4Very low44Very low91 Ų91126.5 Ų126.564%0.63677%0.77SS**  trans64.8163.1157.3-75.60000120.7
802P45.6Very low46.7Very low121 Ų121124.7 Ų124.779%0.78676%0.759SS**  cis-139.7118.4-45.536.3-19.1000113.4
803S34.8Very low49.4Very low128 Ų128119 Ų11990%0.89573%0.734SS**SBendtrans-154.353.7171.7-1730000114.6
804A45.7Very low52.2Low83 Ų83118.8 Ų118.869%0.68672%0.718SS**  trans-148.124.2178.300000114.8
805E47.5Very low55.2Low181 Ų181114.8 Ų114.885%0.84668%0.677SS**  trans-133.368.6-172.8-159178.4140.400114.2
806L50.6Low58.1Low159 Ų159115.8 Ų115.883%0.83266%0.662SS**SBendtrans-131.5-32.5161.5-151.371.6000113.3
807D48.3Very low59.8Low144 Ų144114 Ų11477%0.7764%0.641SS**G310 helixtrans-74.6-31.9-171.5-140.2-98.4000114.7K809 A810D807-K809 PolarHBondContact O-N 3.49Å; D807-A810 PolarHBondContact O-N 3.42Å
808K53Low62.4Low177 Ų177108.7 Ų108.777%0.7762%0.617SS**G310 helixtrans-65.3-2.1-175.4-67.8172.9-177.7162.50114.8
809K52.3Low64.9Low177 Ų177106.8 Ų106.877%0.7760%0.597SS**G310 helixtrans-94.6-13.3-177.1-143.1164.2-174.4169.50113.6D807D807-K809 PolarHBondContact O-N 3.49Å
810A59.6Low67.4Low81 Ų81106.5 Ų106.567%0.66958%0.583SS**THydrogen-bonded Turntrans-76.3-21-172.300000115.4D807D807-A810 PolarHBondContact O-N 3.42Å
811N77.3Confident70.3Confident91 Ų91106.6 Ų106.649%0.48757%0.573SS.*THydrogen-bonded Turntrans-109.928.8-170-83.1-72000115L813 P823 A824N811-L813 PolarHBondContact O-N 2.88Å; N811-P823 CarbonylContact O-C 3.55Å; N811-P823 WeakPolarHBondContact O-CA 3.35Å; N811-A824 HydrophobicContact CB-CB 4.39Å; N811-A824 PolarHBondContact O-N 3.42Å
812L88Confident72.5Confident84 Ų84102.6 Ų102.644%0.4455%0.546SS..EExtended strand (participates in β ladder)trans-89.2101.6176.8-84.174.5000111.9A822L812-A822 CarbonylContact C-O 3.51Å; L812-A822 WeakPolarHBondContact CA-O 3.45Å
813L90.1Very high74.6Confident50 Ų5099.7 Ų99.726%0.26253%0.527SS..EExtended strand (participates in β ladder)trans-83.2145.9174.6-8559.9000111N811 Y821 A822 A824 F827 K831N811-L813 PolarHBondContact O-N 2.88Å; L813-Y821 CarbonylContact O-C 3.4Å; L813-Y821 VanDerWaalsContact O-CA 3.31Å; L813-Y821 WeakPolarHBondContact O-CA 3.09Å; L813-A822 PolarHBondContact N-O 3.09Å; L813-A822 PolarHBondContact O-N 2.91Å; L813-A824 HydrophobicContact CD1-CB 3.91Å; L813-F827 HydrophobicContact CB-CD1 4.42Å; L813-F827 HydrophobicContact CB-CD2 3.89Å; L813-F827 HydrophobicContact CB-CE1 4.01Å; L813-F827 HydrophobicContact CB-CE2 3.43Å; L813-F827 VanDerWaalsContact CB-CE2 3.43Å; L813-F827 HydrophobicContact CB-CG 4.37Å; L813-F827 HydrophobicContact CB-CZ 3.52Å; L813-F827 HydrophobicContact CD2-CD1 4.45Å; L813-F827 HydrophobicContact CD2-CD2 4.42Å; L813-F827 HydrophobicContact CD2-CG 4.3Å; L813-F827 WeakPolarHBondContact O-CE2 3.41Å; L813-F827 VanDerWaalsContact O-CZ 3.23Å; L813-F827 WeakPolarHBondContact O-CZ 3.41Å; L813-K831 HydrophobicContact CD2-CB 4.32Å
814K95Very high77Confident116 Ų11695.1 Ų95.150%0.50450%0.497SS..EExtended strand (participates in β ladder)trans-91.8127.1176.3-164.7179.3-165.6156.90111.1E816 G819 Y821K814-E816 PolarHBondContact O-N 2.91Å; K814-G819 VanDerWaalsContact CE-O 3.31Å; K814-G819 WeakPolarHBondContact CE-O 3.36Å; K814-Y821 HydrophobicContact CB-CD1 3.94Å; K814-Y821 HydrophobicContact CB-CE1 3.76Å; K814-Y821 HydrophobicContact CD-CE1 4.04Å; K814-Y821 HydrophobicContact CD-CE2 4.1Å; K814-Y821 WeakPolarHBondContact CD-OH 2.96Å; K814-Y821 HydrophobicContact CG-CD1 4.28Å; K814-Y821 HydrophobicContact CG-CD2 4.46Å; K814-Y821 HydrophobicContact CG-CE1 3.98Å; K814-Y821 HydrophobicContact CG-CE2 4.14Å; K814-Y821 PolarHBondContact NZ-OH 3.01Å
815C94.3Very high79Confident0 Ų097.9 Ų97.90%050%0.496CS..PPolyproline II helixtrans-75.9119.3174.8-179.70000110.9Y817 C818 G819 K820 F827 C834C815-Y817 PolarHBondContact O-N 3.45Å; C815-C818 VanDerWaalsContact CB-SG 3.54Å; C815-C818 PolarHBondContact O-N 2.77Å; C815-C818 PolarHBondContact SG-SG 3.33Å; C815-G819 WeakPolarHBondContact O-CA 3.49Å; C815-G819 PolarHBondContact O-N 2.84Å; C815-K820 WeakPolarHBondContact CB-O 3.37Å; C815-K820 PolarHBondContact N-O 3.24Å; C815-F827 HydrophobicContact CB-CE1 4.34Å; C815-F827 HydrophobicContact CB-CZ 4.2Å; C815-C834 HydrophobicContact CB-CB 3.89Å; C815-C834 PolarHBondContact SG-N 2.85Å; C815-C834 VanDerWaalsContact SG-N 3.4Å; C815-C834 VanDerWaalsContact SG-SG 3.62Å
816E90.9Very high80.5Confident94 Ų9494.7 Ų94.744%0.43948%0.481SS..THydrogen-bonded Turntrans-65.5-22.9-175.3-160.9-177.3145.400113.4K814 R832 F833 Y842K814-E816 PolarHBondContact O-N 2.91Å; E816-R832 PolarHBondContact N-O 2.84Å; E816-R832 IonicContact OE1-NH2 2.67Å; E816-R832 PolarHBondContact OE1-NH2 3.46Å; E816-R832 IonicContact OE2-CZ 2.76Å; E816-R832 IonicContact OE2-NE 2.83Å; E816-R832 PolarHBondContact OE2-NE 2.79Å; E816-R832 IonicContact OE2-NH2 3.7Å; E816-R832 PolarHBondContact OE2-NH2 3.43Å; E816-F833 HydrophobicContact CB-CE1 4.07Å; E816-Y842 HydrophobicContact CB-CE2 4.46Å; E816-Y842 HydrophobicContact CG-CE2 3.91Å; E816-Y842 WeakPolarHBondContact OE1-CE2 3.29Å; E816-Y842 PolarHBondContact OE1-OH 2.7Å
817Y92.1Very high82.4Confident81 Ų8187.1 Ų87.132%0.31844%0.441SS..THydrogen-bonded Turntrans-85.5-47.2178.1179.7-103.6000114.1C815 C838 R841C815-Y817 PolarHBondContact O-N 3.45Å; Y817-C838 HydrophobicContact CD1-CB 3.98Å; Y817-C838 HydrophobicContact CG-CB 4.25Å; Y817-R841 HydrophobicContact CD1-CB 4.27Å; Y817-R841 HydrophobicContact CD2-CB 4.1Å; Y817-R841 HydrophobicContact CE1-CB 3.74Å; Y817-R841 HydrophobicContact CE1-CG 4.33Å; Y817-R841 HydrophobicContact CE2-CB 3.55Å; Y817-R841 HydrophobicContact CG-CB 4.44Å; Y817-R841 WeakPolarHBondContact OH-CD 3.44Å
818C92.1Very high84Confident52 Ų5290.8 Ų90.835%0.35144%0.444SS..THydrogen-bonded Turntrans-1080.5-171.569.30000114C815 K820C815-C818 VanDerWaalsContact CB-SG 3.54Å; C815-C818 PolarHBondContact O-N 2.77Å; C815-C818 PolarHBondContact SG-SG 3.33Å; C818-K820 PolarHBondContact O-N 3.4Å
819G89.9Confident85Confident36 Ų3686 Ų8637%0.37145%0.445SS..  trans70.1-11.7178.700000115.6K814 C815K814-G819 VanDerWaalsContact CE-O 3.31Å; K814-G819 WeakPolarHBondContact CE-O 3.36Å; C815-G819 WeakPolarHBondContact O-CA 3.49Å; C815-G819 PolarHBondContact O-N 2.84Å
820K92.1Very high86.3Confident152 Ų15280 Ų8066%0.66143%0.426SS*.  trans-71.7141.7-177.6-60.3-161.8175.4-162.70111.8C815 C818C815-K820 WeakPolarHBondContact CB-O 3.37Å; C815-K820 PolarHBondContact N-O 3.24Å; C818-K820 PolarHBondContact O-N 3.4Å
821Y94.3Very high87.5Confident140 Ų14084.2 Ų84.255%0.54943%0.429SS..EExtended strand (participates in β ladder)trans-84.7142.4169-63.2-98.5000109.5L813 K814L813-Y821 CarbonylContact O-C 3.4Å; L813-Y821 VanDerWaalsContact O-CA 3.31Å; L813-Y821 WeakPolarHBondContact O-CA 3.09Å; K814-Y821 HydrophobicContact CB-CD1 3.94Å; K814-Y821 HydrophobicContact CB-CE1 3.76Å; K814-Y821 HydrophobicContact CD-CE1 4.04Å; K814-Y821 HydrophobicContact CD-CE2 4.1Å; K814-Y821 WeakPolarHBondContact CD-OH 2.96Å; K814-Y821 HydrophobicContact CG-CD1 4.28Å; K814-Y821 HydrophobicContact CG-CD2 4.46Å; K814-Y821 HydrophobicContact CG-CE1 3.98Å; K814-Y821 HydrophobicContact CG-CE2 4.14Å; K814-Y821 PolarHBondContact NZ-OH 3.01Å
822A88.4Confident88.2Confident8 Ų885.4 Ų85.47%0.06643%0.426CS..EExtended strand (participates in β ladder)trans-152.1156.1177.300000110.2L812 L813 Q826 F827 C834L812-A822 CarbonylContact C-O 3.51Å; L812-A822 WeakPolarHBondContact CA-O 3.45Å; L813-A822 PolarHBondContact N-O 3.09Å; L813-A822 PolarHBondContact O-N 2.91Å; A822-Q826 HydrophobicContact CB-CB 4.36Å; A822-F827 HydrophobicContact CB-CE2 3.86Å; A822-F827 WeakPolarHBondContact O-CE2 3.38Å; A822-C834 HydrophobicContact CB-CB 4.14Å
823P89.6Confident88.5Confident60 Ų6082.5 Ų82.539%0.3941%0.41SS..EExtended strand (participates in β ladder)trans-58146.7175.8-23.534.7000112.4N811 E825 Q826 F827N811-P823 CarbonylContact O-C 3.55Å; N811-P823 WeakPolarHBondContact O-CA 3.35Å; P823-E825 WeakPolarHBondContact CB-OE2 3.49Å; P823-E825 PolarHBondContact O-N 3.46Å; P823-E825 VanDerWaalsContact O-N 3.11Å; P823-Q826 WeakPolarHBondContact O-CB 3.16Å; P823-Q826 PolarHBondContact O-N 2.98Å; P823-F827 WeakPolarHBondContact O-CD2 3.35Å
824A86.5Confident88.6Confident31 Ų3181.3 Ų81.326%0.25641%0.406SS..G310 helixtrans-53.1-34.1-176.400000113.3N811 L813 Q826 F827N811-A824 HydrophobicContact CB-CB 4.39Å; N811-A824 PolarHBondContact O-N 3.42Å; L813-A824 HydrophobicContact CD1-CB 3.91Å; A824-Q826 VanDerWaalsContact C-N 3.26Å; A824-Q826 PolarHBondContact O-N 3.27Å; A824-F827 WeakPolarHBondContact O-CB 3.43Å; A824-F827 PolarHBondContact O-N 3.44Å; A824-F827 VanDerWaalsContact O-N 3.16Å
825E86.3Confident88.5Confident141 Ų14177.7 Ų77.766%0.65940%0.395SS*.G310 helixtrans-62.7-34.7179.6-55.865.9-136.800111P823 F827P823-E825 WeakPolarHBondContact CB-OE2 3.49Å; P823-E825 PolarHBondContact O-N 3.46Å; P823-E825 VanDerWaalsContact O-N 3.11Å; E825-F827 PolarHBondContact O-N 2.87Å
826Q80.5Confident88.1Confident114 Ų11483.8 Ų83.853%0.53343%0.425SS..G310 helixtrans-71.9-14-179.4-160.4169.315.400112.7A822 P823 A824 R828A822-Q826 HydrophobicContact CB-CB 4.36Å; P823-Q826 WeakPolarHBondContact O-CB 3.16Å; P823-Q826 PolarHBondContact O-N 2.98Å; A824-Q826 VanDerWaalsContact C-N 3.26Å; A824-Q826 PolarHBondContact O-N 3.27Å; Q826-R828 PolarHBondContact O-N 3.02Å
827F89.8Confident88.2Confident1 Ų183.1 Ų83.10%0.00443%0.428CS..G310 helixtrans-77.10.9-179.3-80.6-108.6000114.7L813 C815 A822 P823 A824 E825 G829 S830 F833 C834L813-F827 HydrophobicContact CB-CD1 4.42Å; L813-F827 HydrophobicContact CB-CD2 3.89Å; L813-F827 HydrophobicContact CB-CE1 4.01Å; L813-F827 HydrophobicContact CB-CE2 3.43Å; L813-F827 VanDerWaalsContact CB-CE2 3.43Å; L813-F827 HydrophobicContact CB-CG 4.37Å; L813-F827 HydrophobicContact CB-CZ 3.52Å; L813-F827 HydrophobicContact CD2-CD1 4.45Å; L813-F827 HydrophobicContact CD2-CD2 4.42Å; L813-F827 HydrophobicContact CD2-CG 4.3Å; L813-F827 WeakPolarHBondContact O-CE2 3.41Å; L813-F827 VanDerWaalsContact O-CZ 3.23Å; L813-F827 WeakPolarHBondContact O-CZ 3.41Å; C815-F827 HydrophobicContact CB-CE1 4.34Å; C815-F827 HydrophobicContact CB-CZ 4.2Å; A822-F827 HydrophobicContact CB-CE2 3.86Å; A822-F827 WeakPolarHBondContact O-CE2 3.38Å; P823-F827 WeakPolarHBondContact O-CD2 3.35Å; A824-F827 WeakPolarHBondContact O-CB 3.43Å; A824-F827 PolarHBondContact O-N 3.44Å; A824-F827 VanDerWaalsContact O-N 3.16Å; E825-F827 PolarHBondContact O-N 2.87Å; F827-G829 PolarHBondContact O-N 2.9Å; F827-G829 VanDerWaalsContact O-N 3.15Å; F827-S830 WeakPolarHBondContact O-CB 3.33Å; F827-S830 PolarHBondContact O-N 2.83Å; F827-S830 PolarHBondContact O-OG 3.29Å; F827-F833 VanDerWaalsContact CD1-N 3.33Å; F827-F833 WeakPolarHBondContact CD1-O 3.26Å; F827-C834 HydrophobicContact CD2-CB 4.5Å; F827-C834 HydrophobicContact CE1-CB 4.41Å; F827-C834 HydrophobicContact CE2-CB 4.06Å; F827-C834 HydrophobicContact CZ-CB 3.99Å
828R82Confident88.3Confident221 Ų22179.9 Ų79.983%0.83442%0.417SS*.THydrogen-bonded Turntrans47.845.6173.2-68.4-81.9-149.7-1775.2112.3Q826 S830Q826-R828 PolarHBondContact O-N 3.02Å; R828-S830 PolarHBondContact O-N 3.45Å; R828-S830 VanDerWaalsContact O-N 3.17Å
829G73.1Confident88.2Confident76 Ų7678.6 Ų78.678%0.78441%0.41SS*.THydrogen-bonded Turntrans76.2-14.7-178.300000116.4F827 K831F827-G829 PolarHBondContact O-N 2.9Å; F827-G829 VanDerWaalsContact O-N 3.15Å; G829-K831 PolarHBondContact O-N 2.85Å
830S80.8Confident88.2Confident52 Ų5283.7 Ų83.736%0.36442%0.422SS..  trans-74.9-19.9-17375.90000115.4F827 R828 R832 F833F827-S830 WeakPolarHBondContact O-CB 3.33Å; F827-S830 PolarHBondContact O-N 2.83Å; F827-S830 PolarHBondContact O-OG 3.29Å; R828-S830 PolarHBondContact O-N 3.45Å; R828-S830 VanDerWaalsContact O-N 3.17Å; S830-R832 PolarHBondContact O-N 3.24Å; S830-F833 PolarHBondContact OG-N 3.23Å; S830-F833 VanDerWaalsContact OG-N 3.13Å; S830-F833 PolarHBondContact OG-O 2.93Å
831K84.6Confident88Confident168 Ų16883.3 Ų83.373%0.7342%0.416SS*.SBendtrans49.9-1.5-172.5-61.8-171.3178.7-174.60117.3L813 G829L813-K831 HydrophobicContact CD2-CB 4.32Å; G829-K831 PolarHBondContact O-N 2.85Å
832R92Very high87.6Confident117 Ų11779.4 Ų79.444%0.44240%0.401SS..SBendtrans-122.3-22.9-179.3-68175.762.4-168.11.3114.4E816 S830 Y842E816-R832 PolarHBondContact N-O 2.84Å; E816-R832 IonicContact OE1-NH2 2.67Å; E816-R832 PolarHBondContact OE1-NH2 3.46Å; E816-R832 IonicContact OE2-CZ 2.76Å; E816-R832 IonicContact OE2-NE 2.83Å; E816-R832 PolarHBondContact OE2-NE 2.79Å; E816-R832 IonicContact OE2-NH2 3.7Å; E816-R832 PolarHBondContact OE2-NH2 3.43Å; S830-R832 PolarHBondContact O-N 3.24Å; R832-Y842 PolarHBondContact NH2-OH 2.88Å; R832-Y842 VanDerWaalsContact NH2-OH 3.13Å
833F94.1Very high87.4Confident22 Ų2284.1 Ų84.110%0.09643%0.425CS..  trans-129123.9-177.8-50.5-69.7000112E816 F827 S830 S835 C838 A839 Y842E816-F833 HydrophobicContact CB-CE1 4.07Å; F827-F833 VanDerWaalsContact CD1-N 3.33Å; F827-F833 WeakPolarHBondContact CD1-O 3.26Å; S830-F833 PolarHBondContact OG-N 3.23Å; S830-F833 VanDerWaalsContact OG-N 3.13Å; S830-F833 PolarHBondContact OG-O 2.93Å; F833-S835 PolarHBondContact O-N 3.44Å; F833-C838 HydrophobicContact CB-CB 4.04Å; F833-C838 HydrophobicContact CD1-CB 4.41Å; F833-A839 HydrophobicContact CB-CB 4.01Å; F833-A839 HydrophobicContact CD2-CB 3.53Å; F833-A839 HydrophobicContact CE2-CB 4.16Å; F833-A839 HydrophobicContact CG-CB 3.77Å; F833-Y842 AromaticContact CE1-CD1 3.93Å; F833-Y842 HydrophobicContact CE1-CD1 3.93Å; F833-Y842 AromaticContact CE1-CD2 3.66Å; F833-Y842 HydrophobicContact CE1-CD2 3.66Å; F833-Y842 HydrophobicContact CE1-CE2 4.23Å; F833-Y842 AromaticContact CE1-CG 3.47Å; F833-Y842 HydrophobicContact CE1-CG 3.47Å; F833-Y842 VanDerWaalsContact CE1-CG 3.47Å; F833-Y842 AromaticContact CZ-CD1 3.61Å; F833-Y842 HydrophobicContact CZ-CD1 3.61Å; F833-Y842 HydrophobicContact CZ-CD2 4.13Å; F833-Y842 HydrophobicContact CZ-CE1 4.01Å; F833-Y842 HydrophobicContact CZ-CE2 4.46Å; F833-Y842 AromaticContact CZ-CG 3.68Å; F833-Y842 HydrophobicContact CZ-CG 3.68Å
834C93.1Very high86.9Confident26 Ų2685.9 Ų85.918%0.17643%0.434CS..SBendtrans-70.44.5177.272.30000114.1C815 A822 F827C815-C834 HydrophobicContact CB-CB 3.89Å; C815-C834 PolarHBondContact SG-N 2.85Å; C815-C834 VanDerWaalsContact SG-N 3.4Å; C815-C834 VanDerWaalsContact SG-SG 3.62Å; A822-C834 HydrophobicContact CB-CB 4.14Å; F827-C834 HydrophobicContact CD2-CB 4.5Å; F827-C834 HydrophobicContact CE1-CB 4.41Å; F827-C834 HydrophobicContact CE2-CB 4.06Å; F827-C834 HydrophobicContact CZ-CB 3.99Å
835S91.5Very high86.3Confident39 Ų3987.1 Ų87.127%0.27344%0.441SS..SBendtrans-166.7155.6172.459.40000111.8F833 T837 C838 A839F833-S835 PolarHBondContact O-N 3.44Å; S835-T837 PolarHBondContact O-N 2.84Å; S835-C838 WeakPolarHBondContact O-CB 3.49Å; S835-C838 PolarHBondContact O-N 3.01Å; S835-C838 WeakPolarHBondContact OG-CB 3.46Å; S835-C838 PolarHBondContact OG-N 2.77Å; S835-C838 VanDerWaalsContact OG-N 3.13Å; S835-C838 PolarHBondContact OG-SG 3.32Å; S835-A839 PolarHBondContact O-N 2.95Å; S835-A839 VanDerWaalsContact O-N 3.11Å
836M87.5Confident85.2Confident128 Ų12882.3 Ų82.363%0.63142%0.423SS*.Hα-helixtrans-57.7-31.2170.4-166.163.469.300112.3A839 K840M836-A839 PolarHBondContact O-N 2.92Å; M836-K840 WeakPolarHBondContact O-CB 3.23Å; M836-K840 WeakPolarHBondContact O-CG 3.44Å; M836-K840 PolarHBondContact O-N 3.35Å
837T92.6Very high84.6Confident81 Ų8179 Ų7950%0.49741%0.412SS..Hα-helixtrans-66.4-40.9174.7-52.20000111.9S835 R841S835-T837 PolarHBondContact O-N 2.84Å; T837-R841 WeakPolarHBondContact O-CB 3.33Å; T837-R841 WeakPolarHBondContact O-CG 3.28Å; T837-R841 PolarHBondContact O-N 2.82Å
838C93.3Very high83.4Confident12 Ų1284.1 Ų84.18%0.08144%0.436CS..Hα-helixtrans-64-44.7174.2-72.90000111.4Y817 F833 S835 R841 Y842Y817-C838 HydrophobicContact CD1-CB 3.98Å; Y817-C838 HydrophobicContact CG-CB 4.25Å; F833-C838 HydrophobicContact CB-CB 4.04Å; F833-C838 HydrophobicContact CD1-CB 4.41Å; S835-C838 WeakPolarHBondContact O-CB 3.49Å; S835-C838 PolarHBondContact O-N 3.01Å; S835-C838 WeakPolarHBondContact OG-CB 3.46Å; S835-C838 PolarHBondContact OG-N 2.77Å; S835-C838 VanDerWaalsContact OG-N 3.13Å; S835-C838 PolarHBondContact OG-SG 3.32Å; C838-R841 PolarHBondContact O-N 3.4Å; C838-Y842 VanDerWaalsContact O-CB 3.28Å; C838-Y842 WeakPolarHBondContact O-CB 3.48Å; C838-Y842 PolarHBondContact O-N 3.35Å
839A91.3Very high82.6Confident25 Ų2578.7 Ų78.721%0.20742%0.42CS..Hα-helixtrans-60.1-47.2175.500000112.5F833 S835 M836 Y842 N843F833-A839 HydrophobicContact CB-CB 4.01Å; F833-A839 HydrophobicContact CD2-CB 3.53Å; F833-A839 HydrophobicContact CE2-CB 4.16Å; F833-A839 HydrophobicContact CG-CB 3.77Å; S835-A839 PolarHBondContact O-N 2.95Å; S835-A839 VanDerWaalsContact O-N 3.11Å; M836-A839 PolarHBondContact O-N 2.92Å; A839-Y842 PolarHBondContact O-N 3.36Å; A839-N843 PolarHBondContact O-N 3.02Å
840K89.6Confident81.8Confident144 Ų14482.6 Ų82.663%0.62642%0.416SS*.Hα-helixtrans-61.9-46.5177.6-75.6179177.7-1760112.1M836 N843 V844M836-K840 WeakPolarHBondContact O-CB 3.23Å; M836-K840 WeakPolarHBondContact O-CG 3.44Å; M836-K840 PolarHBondContact O-N 3.35Å; K840-N843 PolarHBondContact O-N 3.18Å; K840-V844 WeakPolarHBondContact O-CG2 3.5Å; K840-V844 PolarHBondContact O-N 3.42Å
841R86.9Confident81.2Confident144 Ų14488.8 Ų88.854%0.54343%0.431SS..Hα-helixtrans-66.2-40.8178.3-69.9-177.3-176.9-165.32.8112Y817 T837 C838 N843 V844 S845Y817-R841 HydrophobicContact CD1-CB 4.27Å; Y817-R841 HydrophobicContact CD2-CB 4.1Å; Y817-R841 HydrophobicContact CE1-CB 3.74Å; Y817-R841 HydrophobicContact CE1-CG 4.33Å; Y817-R841 HydrophobicContact CE2-CB 3.55Å; Y817-R841 HydrophobicContact CG-CB 4.44Å; Y817-R841 WeakPolarHBondContact OH-CD 3.44Å; T837-R841 WeakPolarHBondContact O-CB 3.33Å; T837-R841 WeakPolarHBondContact O-CG 3.28Å; T837-R841 PolarHBondContact O-N 2.82Å; C838-R841 PolarHBondContact O-N 3.4Å; R841-N843 PolarHBondContact O-N 3.37Å; R841-V844 PolarHBondContact O-N 3.16Å; R841-S845 WeakPolarHBondContact O-CB 3.3Å; R841-S845 PolarHBondContact O-N 3.01Å; R841-S845 PolarHBondContact O-OG 3.24Å
842Y87.1Confident80.2Confident58 Ų5884.9 Ų84.923%0.22742%0.418CS..Hα-helixtrans-58.4-46.1174.5179.9-84.9000112.1E816 R832 F833 C838 A839 V844 S845 C846E816-Y842 HydrophobicContact CB-CE2 4.46Å; E816-Y842 HydrophobicContact CG-CE2 3.91Å; E816-Y842 WeakPolarHBondContact OE1-CE2 3.29Å; E816-Y842 PolarHBondContact OE1-OH 2.7Å; R832-Y842 PolarHBondContact NH2-OH 2.88Å; R832-Y842 VanDerWaalsContact NH2-OH 3.13Å; F833-Y842 AromaticContact CE1-CD1 3.93Å; F833-Y842 HydrophobicContact CE1-CD1 3.93Å; F833-Y842 AromaticContact CE1-CD2 3.66Å; F833-Y842 HydrophobicContact CE1-CD2 3.66Å; F833-Y842 HydrophobicContact CE1-CE2 4.23Å; F833-Y842 AromaticContact CE1-CG 3.47Å; F833-Y842 HydrophobicContact CE1-CG 3.47Å; F833-Y842 VanDerWaalsContact CE1-CG 3.47Å; F833-Y842 AromaticContact CZ-CD1 3.61Å; F833-Y842 HydrophobicContact CZ-CD1 3.61Å; F833-Y842 HydrophobicContact CZ-CD2 4.13Å; F833-Y842 HydrophobicContact CZ-CE1 4.01Å; F833-Y842 HydrophobicContact CZ-CE2 4.46Å; F833-Y842 AromaticContact CZ-CG 3.68Å; F833-Y842 HydrophobicContact CZ-CG 3.68Å; C838-Y842 VanDerWaalsContact O-CB 3.28Å; C838-Y842 WeakPolarHBondContact O-CB 3.48Å; C838-Y842 PolarHBondContact O-N 3.35Å; A839-Y842 PolarHBondContact O-N 3.36Å; Y842-V844 VanDerWaalsContact C-N 3.3Å; Y842-V844 PolarHBondContact O-N 3.24Å; Y842-S845 PolarHBondContact O-N 3.4Å; Y842-S845 VanDerWaalsContact O-N 3.13Å; Y842-C846 HydrophobicContact CE1-CB 4.49Å; Y842-C846 WeakPolarHBondContact CE1-SG 3.28Å; Y842-C846 VanDerWaalsContact CZ-SG 3.5Å; Y842-C846 WeakPolarHBondContact O-CB 3.47Å; Y842-C846 PolarHBondContact O-N 3.49Å
843N84.4Confident78.8Confident106 Ų10685.4 Ų85.457%0.56742%0.423SS*.Hα-helixtrans-58.4-41.9178.1-171.4-63.5000112A839 K840 R841 S847A839-N843 PolarHBondContact O-N 3.02Å; K840-N843 PolarHBondContact O-N 3.18Å; R841-N843 PolarHBondContact O-N 3.37Å; N843-S847 VanDerWaalsContact O-CB 3.3Å; N843-S847 WeakPolarHBondContact O-CB 3.49Å; N843-S847 PolarHBondContact O-N 2.86Å; N843-S847 PolarHBondContact O-OG 2.98Å
844V78.7Confident77.5Confident98 Ų9894.1 Ų94.159%0.59446%0.455SS*.Hα-helixtrans-67-42.8174176.70000111.8K840 R841 Y842 S847 H848K840-V844 WeakPolarHBondContact O-CG2 3.5Å; K840-V844 PolarHBondContact O-N 3.42Å; R841-V844 PolarHBondContact O-N 3.16Å; Y842-V844 VanDerWaalsContact C-N 3.3Å; Y842-V844 PolarHBondContact O-N 3.24Å; V844-S847 WeakPolarHBondContact O-CB 3.45Å; V844-S847 PolarHBondContact O-N 2.88Å; V844-H848 WeakPolarHBondContact O-CB 3.46Å; V844-H848 PolarHBondContact O-N 3.5Å
845S72.8Confident76.5Confident57 Ų5799.4 Ų99.440%0.39948%0.476SS..Hα-helixtrans-65-40.8177.6-68.50000113R841 Y842 H848 Q849R841-S845 WeakPolarHBondContact O-CB 3.3Å; R841-S845 PolarHBondContact O-N 3.01Å; R841-S845 PolarHBondContact O-OG 3.24Å; Y842-S845 PolarHBondContact O-N 3.4Å; Y842-S845 VanDerWaalsContact O-N 3.13Å; S845-H848 WeakPolarHBondContact O-CB 3.45Å; S845-H848 PolarHBondContact O-N 2.98Å; S845-Q849 PolarHBondContact O-N 3.4Å
846C62.8Low75.4Confident40 Ų40104.2 Ų104.227%0.2749%0.491SS..Hα-helixtrans-66.3-42.7172.3-760000111.3Y842 H848 Q849 F850Y842-C846 HydrophobicContact CE1-CB 4.49Å; Y842-C846 WeakPolarHBondContact CE1-SG 3.28Å; Y842-C846 VanDerWaalsContact CZ-SG 3.5Å; Y842-C846 WeakPolarHBondContact O-CB 3.47Å; Y842-C846 PolarHBondContact O-N 3.49Å; C846-H848 VanDerWaalsContact C-N 3.25Å; C846-H848 PolarHBondContact O-N 3.44Å; C846-Q849 PolarHBondContact O-N 2.85Å; C846-F850 WeakPolarHBondContact O-CD2 3.39Å; C846-F850 PolarHBondContact O-N 3.28Å
847S68.3Low74.4Confident45 Ų45104.7 Ų104.732%0.31549%0.494SS..Hα-helixtrans-58.2-38.7172.3-66.30000112N843 V844 R851N843-S847 VanDerWaalsContact O-CB 3.3Å; N843-S847 WeakPolarHBondContact O-CB 3.49Å; N843-S847 PolarHBondContact O-N 2.86Å; N843-S847 PolarHBondContact O-OG 2.98Å; V844-S847 WeakPolarHBondContact O-CB 3.45Å; V844-S847 PolarHBondContact O-N 2.88Å; S847-R851 VanDerWaalsContact O-CG 3.31Å; S847-R851 WeakPolarHBondContact O-CG 3.36Å; S847-R851 PolarHBondContact O-N 3.21Å
848H65.2Low73.4Confident107 Ų107107.4 Ų107.450%0.49550%0.499SS..Hα-helixtrans-67.6-46.7174.3-167.5-111.3000111.7V844 S845 C846 F850 R851 L852V844-H848 WeakPolarHBondContact O-CB 3.46Å; V844-H848 PolarHBondContact O-N 3.5Å; S845-H848 WeakPolarHBondContact O-CB 3.45Å; S845-H848 PolarHBondContact O-N 2.98Å; C846-H848 VanDerWaalsContact C-N 3.25Å; C846-H848 PolarHBondContact O-N 3.44Å; H848-F850 VanDerWaalsContact C-N 3.35Å; H848-F850 PolarHBondContact O-N 3.43Å; H848-R851 PolarHBondContact O-N 3.11Å; H848-L852 WeakPolarHBondContact NE2-CD1 3.26Å; H848-L852 WeakPolarHBondContact O-CB 3.31Å; H848-L852 WeakPolarHBondContact O-CD1 3.49Å; H848-L852 PolarHBondContact O-N 3.02Å
849Q64.4Low72.2Confident108 Ų108112.3 Ų112.351%0.50552%0.52SS..Hα-helixtrans-57-44.1173.3-89.4-148.425.900112.4S845 C846 L852 K853S845-Q849 PolarHBondContact O-N 3.4Å; C846-Q849 PolarHBondContact O-N 2.85Å; Q849-L852 PolarHBondContact O-N 3.47Å; Q849-K853 VanDerWaalsContact O-CB 3.31Å; Q849-K853 WeakPolarHBondContact O-CB 3.46Å; Q849-K853 WeakPolarHBondContact O-CG 3.46Å; Q849-K853 PolarHBondContact O-N 3.46Å
850F56.1Low70.5Confident157 Ų157117.6 Ų117.669%0.68954%0.539SS*.Hα-helixtrans-66.1-39.7178.1-92.7-83.8000112C846 H848 R854C846-F850 WeakPolarHBondContact O-CD2 3.39Å; C846-F850 PolarHBondContact O-N 3.28Å; H848-F850 VanDerWaalsContact C-N 3.35Å; H848-F850 PolarHBondContact O-N 3.43Å; F850-R854 VanDerWaalsContact O-CB 3.28Å; F850-R854 WeakPolarHBondContact O-CB 3.21Å; F850-R854 PolarHBondContact O-N 2.87Å
851R69.4Low69.3Low182 Ų182117.6 Ų117.669%0.68754%0.541SS*.Hα-helixtrans-63.5-42.8171.9-71.7177.9-160.9173.86.4112S847 H848 R854 K855S847-R851 VanDerWaalsContact O-CG 3.31Å; S847-R851 WeakPolarHBondContact O-CG 3.36Å; S847-R851 PolarHBondContact O-N 3.21Å; H848-R851 PolarHBondContact O-N 3.11Å; R851-R854 PolarHBondContact O-N 2.95Å; R851-K855 WeakPolarHBondContact O-CB 3.4Å; R851-K855 PolarHBondContact O-N 3.01Å
852L63.1Low68.3Low87 Ų87116.5 Ų116.546%0.45554%0.542SS..Hα-helixtrans-69.1-40.5178.3-96.361.7000112.1H848 Q849 K855 K856H848-L852 WeakPolarHBondContact NE2-CD1 3.26Å; H848-L852 WeakPolarHBondContact O-CB 3.31Å; H848-L852 WeakPolarHBondContact O-CD1 3.49Å; H848-L852 PolarHBondContact O-N 3.02Å; Q849-L852 PolarHBondContact O-N 3.47Å; L852-K855 PolarHBondContact O-N 3.4Å; L852-K856 WeakPolarHBondContact O-CB 3.45Å; L852-K856 PolarHBondContact O-N 2.79Å
853K62.5Low67.2Low128 Ų128116 Ų11656%0.55755%0.55SS**Hα-helixtrans-62.9-41.4172.5-78.1171.1170.4164.30110.9Q849 M857Q849-K853 VanDerWaalsContact O-CB 3.31Å; Q849-K853 WeakPolarHBondContact O-CB 3.46Å; Q849-K853 WeakPolarHBondContact O-CG 3.46Å; Q849-K853 PolarHBondContact O-N 3.46Å; K853-M857 WeakPolarHBondContact O-CB 3.36Å; K853-M857 PolarHBondContact O-N 3.14Å
854R67.6Low66Low204 Ų204114.9 Ų114.977%0.7754%0.544SS*.Hα-helixtrans-66.8-38.1174.2-161.6174.3-164.6159.94.8112.8F850 R851 K858F850-R854 VanDerWaalsContact O-CB 3.28Å; F850-R854 WeakPolarHBondContact O-CB 3.21Å; F850-R854 PolarHBondContact O-N 2.87Å; R851-R854 PolarHBondContact O-N 2.95Å; R854-K858 WeakPolarHBondContact O-CB 3.4Å; R854-K858 PolarHBondContact O-N 3.4Å
855K70.8Confident64.9Low138 Ų138118.4 Ų118.460%0.655%0.548SS*.Hα-helixtrans-66.2-51.9173.3-173-177.3172.7-172.10110.9R851 L852 M857 K858 E859R851-K855 WeakPolarHBondContact O-CB 3.4Å; R851-K855 PolarHBondContact O-N 3.01Å; L852-K855 PolarHBondContact O-N 3.4Å; K855-M857 VanDerWaalsContact C-N 3.29Å; K855-M857 PolarHBondContact O-N 2.88Å; K855-K858 PolarHBondContact O-N 2.83Å; K855-K858 VanDerWaalsContact O-N 3.14Å; K855-E859 WeakPolarHBondContact O-CB 3.47Å; K855-E859 PolarHBondContact O-N 3.44Å
856K68.1Low64.4Low139 Ų139118 Ų11860%0.60455%0.547SS*.Hα-helixtrans-57.8-38.9176.9-171.7178-179.8-176.30111.6L852 F860L852-K856 WeakPolarHBondContact O-CB 3.45Å; L852-K856 PolarHBondContact O-N 2.79Å; K856-F860 WeakPolarHBondContact O-CB 3.42Å; K856-F860 PolarHBondContact O-N 3.23Å
857M67.8Low64.1Low139 Ų139123.2 Ų123.269%0.68556%0.562SS**Hα-helixtrans-66.1-47.1174.1-179.1179.2-79.100112.1K853 K855 F860 Q861K853-M857 WeakPolarHBondContact O-CB 3.36Å; K853-M857 PolarHBondContact O-N 3.14Å; K855-M857 VanDerWaalsContact C-N 3.29Å; K855-M857 PolarHBondContact O-N 2.88Å; M857-F860 PolarHBondContact O-N 2.93Å; M857-Q861 WeakPolarHBondContact O-CB 3.4Å; M857-Q861 PolarHBondContact O-N 2.81Å
858K71.3Confident63.5Low137 Ų137125.8 Ų125.860%0.59658%0.575SS**Hα-helixtrans-60.2-46.9174.5-176-176.8174.7-173.50111.2R854 K855 Q861 E862R854-K858 WeakPolarHBondContact O-CB 3.4Å; R854-K858 PolarHBondContact O-N 3.4Å; K855-K858 PolarHBondContact O-N 2.83Å; K855-K858 VanDerWaalsContact O-N 3.14Å; K858-Q861 PolarHBondContact O-N 2.82Å; K858-E862 VanDerWaalsContact O-CB 3.26Å; K858-E862 WeakPolarHBondContact O-CB 3.4Å; K858-E862 PolarHBondContact O-N 3.34Å
859E67.3Low62.9Low115 Ų115130.5 Ų130.554%0.53759%0.589SS.*Hα-helixtrans-65.2-38.5-179.1-168171155.800111.8K855 A863K855-E859 WeakPolarHBondContact O-CB 3.47Å; K855-E859 PolarHBondContact O-N 3.44Å; E859-A863 WeakPolarHBondContact O-CB 3.47Å; E859-A863 PolarHBondContact O-N 3.02Å
860F55.9Low62.2Low137 Ų137135.8 Ų135.860%0.60160%0.604SS**Hα-helixtrans-69-37.7172.9-164-93.9000112K856 M857 N864K856-F860 WeakPolarHBondContact O-CB 3.42Å; K856-F860 PolarHBondContact O-N 3.23Å; M857-F860 PolarHBondContact O-N 2.93Å; F860-N864 VanDerWaalsContact O-CB 3.26Å; F860-N864 WeakPolarHBondContact O-CB 3.43Å; F860-N864 PolarHBondContact O-N 2.83Å
861Q65.9Low61.7Low143 Ų143139 Ų13967%0.66861%0.612SS**Hα-helixtrans-69.9-38.7175.7-170.7159.853.500112.1M857 K858 N864 Y865M857-Q861 WeakPolarHBondContact O-CB 3.4Å; M857-Q861 PolarHBondContact O-N 2.81Å; K858-Q861 PolarHBondContact O-N 2.82Å; Q861-N864 PolarHBondContact O-N 2.94Å; Q861-Y865 WeakPolarHBondContact O-CB 3.31Å; Q861-Y865 PolarHBondContact O-N 3.47Å
862E64.8Low60.6Low122 Ų122132.8 Ų132.857%0.5760%0.604SS**Hα-helixtrans-69.3-40.9175.1-166.7162.6173.400111.2K858 N864 Y865 A866K858-E862 VanDerWaalsContact O-CB 3.26Å; K858-E862 WeakPolarHBondContact O-CB 3.4Å; K858-E862 PolarHBondContact O-N 3.34Å; E862-N864 VanDerWaalsContact C-N 3.34Å; E862-N864 PolarHBondContact O-N 3.27Å; E862-Y865 PolarHBondContact O-N 2.95Å; E862-A866 WeakPolarHBondContact O-CB 3.31Å; E862-A866 PolarHBondContact O-N 3.26Å
863A63.5Low59.7Low47 Ų47135 Ų13539%0.38862%0.623SS.*Hα-helixtrans-64.4-35.2170.100000112.6E859 A866 R867E859-A863 WeakPolarHBondContact O-CB 3.47Å; E859-A863 PolarHBondContact O-N 3.02Å; A863-A866 PolarHBondContact O-N 3.18Å; A863-R867 WeakPolarHBondContact O-CB 3.47Å; A863-R867 PolarHBondContact O-N 2.87Å
864N59.7Low58.8Low82 Ų82140.6 Ų140.644%0.43964%0.641SS.*Hα-helixtrans-68.3-43.6174.2-164.45.9000110.7F860 Q861 E862 A866 R867 V868F860-N864 VanDerWaalsContact O-CB 3.26Å; F860-N864 WeakPolarHBondContact O-CB 3.43Å; F860-N864 PolarHBondContact O-N 2.83Å; Q861-N864 PolarHBondContact O-N 2.94Å; E862-N864 VanDerWaalsContact C-N 3.34Å; E862-N864 PolarHBondContact O-N 3.27Å; N864-A866 VanDerWaalsContact C-N 3.28Å; N864-A866 PolarHBondContact O-N 3.04Å; N864-R867 CarbonylContact O-C 3.54Å; N864-R867 WeakPolarHBondContact O-CA 3.44Å; N864-R867 WeakPolarHBondContact O-CB 3.26Å; N864-R867 PolarHBondContact O-N 3.19Å; N864-V868 WeakPolarHBondContact O-CG2 3.28Å; N864-V868 PolarHBondContact O-N 3.33Å
865Y56.5Low57.8Low173 Ų173140 Ų14068%0.67864%0.639SS**Hα-helixtrans-59.4-39173.4-155.5-112.3000112Q861 E862 R869Q861-Y865 WeakPolarHBondContact O-CB 3.31Å; Q861-Y865 PolarHBondContact O-N 3.47Å; E862-Y865 PolarHBondContact O-N 2.95Å; Y865-R869 PolarHBondContact O-N 2.98Å
866A61.8Low56.6Low47 Ų47136.1 Ų136.139%0.38863%0.629SS.*Hα-helixtrans-68.5-32.8171.500000113.3E862 A863 N864 R870E862-A866 WeakPolarHBondContact O-CB 3.31Å; E862-A866 PolarHBondContact O-N 3.26Å; A863-A866 PolarHBondContact O-N 3.18Å; N864-A866 VanDerWaalsContact C-N 3.28Å; N864-A866 PolarHBondContact O-N 3.04Å; A866-R870 PolarHBondContact O-N 3.49Å
867R55.8Low55.8Low150 Ų150134.5 Ų134.557%0.56664%0.635SS**Hα-helixtrans-72.4-40.7177.3-155.2-177.6-62.3-168.41.6111.5A863 N864 R869 R870 R871A863-R867 WeakPolarHBondContact O-CB 3.47Å; A863-R867 PolarHBondContact O-N 2.87Å; N864-R867 CarbonylContact O-C 3.54Å; N864-R867 WeakPolarHBondContact O-CA 3.44Å; N864-R867 WeakPolarHBondContact O-CB 3.26Å; N864-R867 PolarHBondContact O-N 3.19Å; R867-R869 VanDerWaalsContact C-N 3.32Å; R867-R869 PolarHBondContact O-N 3.39Å; R867-R870 PolarHBondContact O-N 3.47Å; R867-R871 PolarHBondContact O-N 2.99Å
868V56.1Low55.1Low99 Ų99131 Ų13160%0.663%0.625SS**Hα-helixtrans-58.6-43.6171.1171.10000110.6N864 R870 R871N864-V868 WeakPolarHBondContact O-CG2 3.28Å; N864-V868 PolarHBondContact O-N 3.33Å; V868-R870 PolarHBondContact O-N 3.25Å; V868-R870 VanDerWaalsContact O-N 3.11Å; V868-R871 PolarHBondContact O-N 3.45Å; V868-R871 VanDerWaalsContact O-N 3.15Å
869R52.3Low54.1Low206 Ų206128.2 Ų128.278%0.77762%0.616SS**THydrogen-bonded Turntrans-61.9-14.2173-79.3-73.7-171.51611.3114.9Y865 R867Y865-R869 PolarHBondContact O-N 2.98Å; R867-R869 VanDerWaalsContact C-N 3.32Å; R867-R869 PolarHBondContact O-N 3.39Å
870R50.5Low53.6Low219 Ų219128.3 Ų128.383%0.82662%0.619SS**THydrogen-bonded Turntrans-102.7-0175.9-63.8-169.6-155.9-153.59.3114.5A866 R867 V868A866-R870 PolarHBondContact O-N 3.49Å; R867-R870 PolarHBondContact O-N 3.47Å; V868-R870 PolarHBondContact O-N 3.25Å; V868-R870 VanDerWaalsContact O-N 3.11Å
871R44.9Very low53.3Low226 Ų226124.9 Ų124.985%0.85362%0.616SS**  trans-104.645.8173.1-75.3-167.2171.1-167.6-1.6113R867 V868R867-R871 PolarHBondContact O-N 2.99Å; V868-R871 PolarHBondContact O-N 3.45Å; V868-R871 VanDerWaalsContact O-N 3.15Å
872G47.3Very low52.7Low50 Ų50127.4 Ų127.452%0.51562%0.619SS.*SBendtrans-92.8149.6160.400000110.6R874G872-R874 PolarHBondContact O-N 3.46Å
873P43.3Very low52.2Low134 Ų134125.8 Ų125.887%0.8763%0.627SS**  trans-57.4119.8179-26.635.4000112.7R875P873-R875 PolarHBondContact O-N 3.38Å
874R43.8Very low51.5Low245 Ų245132.7 Ų132.793%0.92565%0.648SS**  trans-73.288.5171.5-77.8-91.4-81.1-109.9-1.7109.2G872G872-R874 PolarHBondContact O-N 3.46Å
875R46.2Very low51.2Low193 Ų193135.3 Ų135.373%0.72866%0.661SS**  trans-60.6139.3158-77.3-170.2171-125.6-3.3108.6P873P873-R875 PolarHBondContact O-N 3.38Å
876S46.7Very low50.8Low55 Ų55136.6 Ų136.639%0.38567%0.673SS.*  trans-66.8152.6171.4-169.80000109.7S878 D879S876-S878 PolarHBondContact O-N 2.93Å; S876-S878 PolarHBondContact OG-N 2.98Å; S876-S878 PolarHBondContact OG-OG 2.94Å; S876-D879 WeakPolarHBondContact CB-OD2 3.48Å; S876-D879 PolarHBondContact O-N 2.96Å
877S50.9Low49.7Very low106 Ų106137.8 Ų137.874%0.74169%0.69SS**Hα-helixtrans-60.6-24168.444.10000111.9D879S877-D879 PolarHBondContact O-N 3.32Å
878S53.5Low49Very low66 Ų66139.7 Ų139.746%0.46270%0.702SS.*Hα-helixtrans-59.2-42.2178.1-41.20000114S876 A881 R882S876-S878 PolarHBondContact O-N 2.93Å; S876-S878 PolarHBondContact OG-N 2.98Å; S876-S878 PolarHBondContact OG-OG 2.94Å; S878-A881 PolarHBondContact O-N 3.43Å; S878-R882 PolarHBondContact O-N 3.05Å
879D48.9Very low47.8Very low78 Ų78140.3 Ų140.342%0.41771%0.71SS.*Hα-helixtrans-77.6-30.4-168.4-59.7-65.5000113S876 S877 A881 R882 A883S876-D879 WeakPolarHBondContact CB-OD2 3.48Å; S876-D879 PolarHBondContact O-N 2.96Å; S877-D879 PolarHBondContact O-N 3.32Å; D879-A881 VanDerWaalsContact C-N 3.3Å; D879-R882 PolarHBondContact O-N 2.91Å; D879-A883 WeakPolarHBondContact O-CB 3.46Å; D879-A883 PolarHBondContact O-N 3.34Å; D879-A883 VanDerWaalsContact O-N 3.12Å
880I56.6Low46.9Very low117 Ų117138.6 Ų138.660%0.671%0.71SS**Hα-helixtrans-70.7-30.4178.3-61.3176.5000110.5
881A50.7Low46Very low65 Ų65138.7 Ų138.754%0.53771%0.711SS.*Hα-helixtrans-70.7-45.3172.700000111.9S878 D879 A883 K884S878-A881 PolarHBondContact O-N 3.43Å; D879-A881 VanDerWaalsContact C-N 3.3Å; A881-A883 PolarHBondContact O-N 2.89Å; A881-K884 PolarHBondContact O-N 3.18Å
882R52.3Low45.2Very low195 Ų195131.1 Ų131.174%0.73670%0.702SS**Hα-helixtrans-66.1-34.3-178.5-73-176.3167.6-164.9-5.5113.3S878 D879 K884 I885S878-R882 PolarHBondContact O-N 3.05Å; D879-R882 PolarHBondContact O-N 2.91Å; R882-K884 PolarHBondContact O-N 3.42Å; R882-I885 PolarHBondContact O-N 3.48Å; R882-I885 VanDerWaalsContact O-N 3.16Å
883A53.7Low44.2Very low89 Ų89136.2 Ų136.274%0.73671%0.713SS**THydrogen-bonded Turntrans-66.2-3.6179.800000115.5D879 A881D879-A883 WeakPolarHBondContact O-CB 3.46Å; D879-A883 PolarHBondContact O-N 3.34Å; D879-A883 VanDerWaalsContact O-N 3.12Å; A881-A883 PolarHBondContact O-N 2.89Å
884K50.8Low43.6Very low191 Ų191137.2 Ų137.283%0.8371%0.706SS**THydrogen-bonded Turntrans-100.1-3.7173.5-85.6-167.8170.4-1700115A881 R882A881-K884 PolarHBondContact O-N 3.18Å; R882-K884 PolarHBondContact O-N 3.42Å
885I53.5Low42.9Very low137 Ų137132.2 Ų132.270%0.70370%0.697SS**SBendtrans-100.4-15.3-165.8-60.3176.9000113.2R882R882-I885 PolarHBondContact O-N 3.48Å; R882-I885 VanDerWaalsContact O-N 3.16Å
886Q47.9Very low42.4Very low200 Ų200127.6 Ų127.694%0.93570%0.695SS**  trans-102.875.2175.8-70.6-173.2-14.400111.9
887G38.1Very low41.8Very low72 Ų72129.2 Ų129.274%0.74271%0.706SS**  trans-134.371.7178.100000112
888K41.8Very low41Very low191 Ų191136 Ų13683%0.8372%0.715SS**  trans-17.4126.4-177.6-163154.1-178.6171.60118.2
889C30.4Very low40Very low112 Ų112136.3 Ų136.376%0.75773%0.73SS**  trans-85.2136.3-180175.30000114.4
890H32.5Very low39.6Very low169 Ų169137.7 Ų137.778%0.78275%0.745SS**  trans-160.5144.7151.5-69-58.7000107.6
891R32.4Very low38.3Very low222 Ų222138.9 Ų138.984%0.83875%0.753SS**  cis-163.1140.7-18.6-179.7-171.1-169.1-83.41.5108.3
892G28Very low37.6Very low66 Ų66142.8 Ų142.868%0.6877%0.765SS**  trans89.4159.4169.600000114.9
893Q27Very low36.8Very low157 Ų157138.3 Ų138.373%0.73476%0.763SS**  cis-154.4173.8-6.6-171.4154.5-1100109.7
894E29.6Very low35.8Very low156 Ų156138.8 Ų138.873%0.72976%0.761SS**  trans-45.8160.5-17360.7-12154.800117.3
895D28.5Very low35Very low139 Ų139137.9 Ų137.974%0.74375%0.754SS**  cis-166.5161.840.8179.621.8000113.2
896S36Very low34.2Very low97 Ų97137.9 Ų137.968%0.67876%0.755SS**  trans62.5157.9151.9-81.70000121.9
897S35.4Very low33.6Very low89 Ų89135.6 Ų135.662%0.62275%0.745SS**  cis-171.3140.9-23-175.10000111.1
898R34.2Very low33.5Very low247 Ų247135.9 Ų135.993%0.93274%0.74SS**  trans62.6162.5166.7-62.7151.681.1169.76.1116.1
899G31.2Very low32.9Very low74 Ų74135.1 Ų135.176%0.76374%0.744SS**  cis-173.7160.6-5.200000112.6
900S41.7Very low33.1Very low106 Ų106134.9 Ų134.974%0.74174%0.744SS**  trans-71-178.6-172.4-310000115.5
901D28.4Very low33.8Very low143 Ų143132.6 Ų132.677%0.76574%0.744SS**  cis-123-136.35-66.5-75.1000110.5
902N36Very low33.6Very low146 Ų146128 Ų12878%0.78174%0.741SS**  cis-163-179.6-1.9-134.7-41000106.8
903S35.4Very low33.5Very low101 Ų101130 Ų13071%0.70674%0.744SS**  cis-159.8-176.7457.90000112.2
904S33.6Very low34.2Very low99 Ų99128.6 Ų128.669%0.69275%0.748SS**  trans-60.8161.9177.2-44.80000116.3
905Y33.3Very low34.2Very low172 Ų172124.2 Ų124.268%0.67575%0.745SS**  cis-151.4-1696.2-126.4158.1000108.8
906D37.7Very low34.8Very low138 Ų138123 Ų12374%0.73875%0.745SS**  cis-136.6173.63.8-52.688000107.6
907E33.9Very low34.4Very low152 Ų152125.9 Ų125.971%0.7175%0.752SS**  cis85.9123.414-144.1153.7120.400116.8
908A35.9Very low34.2Very low78 Ų78126.7 Ų126.765%0.64576%0.758SS**  cis-154.8146.6-11.400000115.9
909L30.3Very low34.2Very low175 Ų175120.6 Ų120.692%0.91675%0.748SS**  trans67.9160.6144.7-61.8174.3000123
910S33.3Very low34.2Very low107 Ų107128.4 Ų128.475%0.74875%0.754SS**  trans-133170.9-175.4-49.10000111.7
911P48.6Very low33.5Very low120 Ų120127.8 Ų127.878%0.77976%0.755SS**  -133.5-156.4102.325-2.7000110.9
912T27.6Very low33.6Very low126 Ų126125.3 Ų125.377%0.77376%0.755SS**  cis-153.8-143.115.9-32.40000111.4
913S26.5Very low33.4Very low109 Ų109128.1 Ų128.176%0.76276%0.763SS**  trans-164.7174.9-177.5-760000108.4
914P41.7Very low33.1Very low126 Ų126126.4 Ų126.482%0.81876%0.761SS**  cis-133.1-1648.441.2-21.5000115.2
915G28.3Very low32.9Very low64 Ų64129 Ų12966%0.6676%0.762SS**  trans-78.8-156.5166.700000113.6
916P41.9Very low33Very low115 Ų115129.8 Ų129.875%0.74776%0.764SS**  cis-155.2-16440.944.8-22.4000117.4
917L27.2Very low32.6Very low157 Ų157129.7 Ų129.782%0.82276%0.763SS**  trans55.5141.6161.1-53.1-178.4000119.9
918S32.3Very low32.6Very low105 Ų105130.3 Ų130.373%0.73477%0.771SS**  cis91.1152.617.5-160.30000116.9
919V32.6Very low32.3Very low120 Ų120130.1 Ų130.173%0.72778%0.776SS**  trans75.4132.3-179-176.80000113.3
920R31.3Very low32.4Very low238 Ų238128.4 Ų128.490%0.89877%0.768SS**  cis-145.3-1764.3-135.4161.7-174.2151.30.5107.3
921A27Very low32.7Very low93 Ų93129.5 Ų129.577%0.76977%0.773SS**  cis-149.5-151.8400000110
922A31.8Very low32.3Very low91 Ų91130.5 Ų130.575%0.75277%0.771SS**  trans-147.1144174.800000113.1
923H30.8Very low33Very low205 Ų205131.1 Ų131.195%0.94978%0.775SS**  trans-167.8172.5145.6-123-102.7000109.3
924G30.2Very low33.2Very low65 Ų65130.1 Ų130.167%0.6777%0.774SS**  trans-134-154.1-174.100000115.6
925E28.5Very low33.1Very low152 Ų152129.1 Ų129.171%0.7177%0.767SS**  trans84.3136.5-174.7-93.3-121.195.600119
926R34.9Very low33.5Very low190 Ų190132.3 Ų132.372%0.71778%0.776SS**  trans45.8115.2170.2-60.1-161.9-82.3-82.7-0.3119
927D29.4Very low33.1Very low135 Ų135132.8 Ų132.872%0.72278%0.777SS**  82.3113.257.7-176.447.6000114
928L34.4Very low33.9Very low166 Ų166130 Ų13087%0.86977%0.769SS**  174.9134.4126.1-94.3174000109.9
929G29.5Very low34Very low73 Ų73134 Ų13475%0.75378%0.775SS**  trans122.5104.8154.100000119
930N33.2Very low34.5Very low140 Ų140133.9 Ų133.975%0.74977%0.77SS**  trans100.879.7145-160.849.8000120.2N932N930-N932 PolarHBondContact O-N 2.95Å
931P39.3Very low35.7Very low130 Ų130126.2 Ų126.284%0.84474%0.744SS**  trans-89.690.4168.535.2-31.2000112.2
932N39.9Very low37.3Very low141 Ų141125 Ų12575%0.75474%0.741SS**  trans-155.787.4166.9-133.8-30.7000115N930N930-N932 PolarHBondContact O-N 2.95Å
933T42.2Very low38.9Very low139 Ų139121.1 Ų121.185%0.85371%0.707SS**  trans-17791.5143.5-72.50000108.2
934A31.8Very low40.9Very low88 Ų88115 Ų11573%0.72768%0.682SS**  trans-91.4142.1162.500000109.1
935P38.4Very low42.7Very low105 Ų105116.6 Ų116.668%0.68268%0.68SS**  trans-67.6147.1176.929.5-34.7000110.6T937P935-T937 PolarHBondContact O-N 2.86Å
936P37.2Very low44.7Very low131 Ų131113.6 Ų113.685%0.85167%0.672SS**  trans-67104.618027.1-34000110.6
937T34.1Very low46.7Very low124 Ų124105.1 Ų105.176%0.76164%0.64SS**  trans-58.1147.7163.842.60000109.6P935P935-T937 PolarHBondContact O-N 2.86Å
938P42.4Very low48.8Very low100 Ų100102.2 Ų102.265%0.64962%0.624SS**  trans-61.8147.6176.827.6-34.7000110.4L940P938-L940 HydrophobicContact CG-CD1 4.46Å; P938-L940 PolarHBondContact O-N 3.44Å
939E36.1Very low50.5Low188 Ų18898.8 Ų98.888%0.87961%0.614SS**  trans-64.269.3173.5-63.1170.590.300111.6
940L42.8Very low53Low118 Ų11897.7 Ų97.762%0.61860%0.595SS**  trans-91.8135.6168.9-86.9173.8000109.1P938P938-L940 HydrophobicContact CG-CD1 4.46Å; P938-L940 PolarHBondContact O-N 3.44Å
941H56.1Low55.7Low77 Ų7795.6 Ų95.636%0.35658%0.584SS.*  trans64.489.9172.4-32.9132.7000114I943 V1015H941-I943 HydrophobicContact CB-CD1 3.94Å; H941-I943 HydrophobicContact CB-CG1 4.07Å; H941-I943 PolarHBondContact O-N 3.33Å; H941-V1015 HydrophobicContact CB-CG1 4.34Å; H941-V1015 VanDerWaalsContact CD2-CG2 3.5Å; H941-V1015 WeakPolarHBondContact CD2-CG2 3.28Å; H941-V1015 WeakPolarHBondContact ND1-CG1 3.41Å; H941-V1015 WeakPolarHBondContact NE2-CG2 3.44Å
942G59.6Low58.1Low67 Ų6790 Ų9069%0.69155%0.547SS*.  trans-67.965.2158.200000111.4K1012G942-K1012 PolarHBondContact O-NZ 2.82Å
943I67.1Low60.6Low10 Ų1086.1 Ų86.15%0.05153%0.531CS..SBendtrans-105.9144.4164.7-59170.6000104H941 F947 L948 F963 K1012 V1015H941-I943 HydrophobicContact CB-CD1 3.94Å; H941-I943 HydrophobicContact CB-CG1 4.07Å; H941-I943 PolarHBondContact O-N 3.33Å; I943-F947 HydrophobicContact CG2-CB 4.02Å; I943-F947 HydrophobicContact CG2-CD2 4.18Å; I943-L948 HydrophobicContact CB-CG 4.5Å; I943-L948 HydrophobicContact CD1-CD2 4.02Å; I943-L948 HydrophobicContact CG2-CD2 4.24Å; I943-L948 HydrophobicContact CG2-CG 4.24Å; I943-F963 HydrophobicContact CD1-CE2 4.44Å; I943-F963 HydrophobicContact CG1-CE2 4.35Å; I943-F963 HydrophobicContact CG2-CD2 4.11Å; I943-F963 HydrophobicContact CG2-CE2 3.82Å; I943-K1012 HydrophobicContact CD1-CD 4Å; I943-K1012 HydrophobicContact CG1-CD 3.77Å; I943-V1015 HydrophobicContact CD1-CB 4.37Å; I943-V1015 HydrophobicContact CD1-CG1 3.91Å
944N72.1Confident63.1Low76 Ų7688.9 Ų88.941%0.40653%0.526SS..  trans-63.5125.3172.8-174.7-17.8000108.9V946 F947N944-V946 PolarHBondContact O-N 3.34Å; N944-V946 WeakPolarHBondContact OD1-CG2 3.23Å; N944-V946 PolarHBondContact OD1-N 2.89Å; N944-F947 HydrophobicContact CB-CD2 3.72Å; N944-F947 HydrophobicContact CB-CE2 3.77Å; N944-F947 PolarHBondContact O-N 2.84Å
945P68.4Low66.1Low98 Ų9884.9 Ų84.964%0.63649%0.492SS*.THydrogen-bonded Turntrans-58.3-19-175.921.8-34.9000114.4F947 L948 S949P945-F947 VanDerWaalsContact C-N 3.33Å; P945-F947 PolarHBondContact O-N 3.49Å; P945-L948 PolarHBondContact O-N 3.31Å; P945-S949 PolarHBondContact O-N 3.48Å
946V70.6Confident68.9Low89 Ų8982.4 Ų82.454%0.53948%0.478SS..THydrogen-bonded Turntrans-53.6-48.4169.9176.30000111.2N944 L948 S949N944-V946 PolarHBondContact O-N 3.34Å; N944-V946 WeakPolarHBondContact OD1-CG2 3.23Å; N944-V946 PolarHBondContact OD1-N 2.89Å; V946-L948 VanDerWaalsContact C-N 3.31Å; V946-L948 PolarHBondContact O-N 2.91Å; V946-S949 PolarHBondContact O-N 2.82Å; V946-S949 VanDerWaalsContact O-N 3.09Å; V946-S949 PolarHBondContact O-OG 3.11Å
947F76.5Confident71.7Confident13 Ų1378.1 Ų78.16%0.05745%0.449CS..G310 helixtrans-63.2-36.6179.6-62.2-61.2000112.3I943 N944 P945 S949 S950 W955 E962 F963I943-F947 HydrophobicContact CG2-CB 4.02Å; I943-F947 HydrophobicContact CG2-CD2 4.18Å; N944-F947 HydrophobicContact CB-CD2 3.72Å; N944-F947 HydrophobicContact CB-CE2 3.77Å; N944-F947 PolarHBondContact O-N 2.84Å; P945-F947 VanDerWaalsContact C-N 3.33Å; P945-F947 PolarHBondContact O-N 3.49Å; F947-S949 PolarHBondContact O-N 3.36Å; F947-S949 VanDerWaalsContact O-N 3.13Å; F947-S950 PolarHBondContact O-N 3.44Å; F947-S950 VanDerWaalsContact O-N 3.14Å; F947-W955 HydrophobicContact CB-CH2 3.78Å; F947-W955 HydrophobicContact CB-CZ2 3.71Å; F947-W955 HydrophobicContact CD1-CH2 4.24Å; F947-W955 HydrophobicContact CD1-CZ2 4.16Å; F947-W955 HydrophobicContact CG-CH2 4.25Å; F947-W955 HydrophobicContact CG-CZ2 4.34Å; F947-W955 WeakPolarHBondContact O-CZ2 3.19Å; F947-E962 HydrophobicContact CE1-CB 4.21Å; F947-E962 HydrophobicContact CZ-CB 3.78Å; F947-F963 HydrophobicContact CB-CD2 4.4Å; F947-F963 HydrophobicContact CD1-CB 4.15Å; F947-F963 HydrophobicContact CD2-CB 4.38Å; F947-F963 HydrophobicContact CD2-CD2 4.07Å; F947-F963 HydrophobicContact CE1-CB 4.03Å; F947-F963 HydrophobicContact CE2-CB 4.27Å; F947-F963 HydrophobicContact CG-CB 4.35Å; F947-F963 HydrophobicContact CG-CD2 4.14Å; F947-F963 HydrophobicContact CZ-CB 4.12Å
948L72.2Confident74.7Confident73 Ų7376.1 Ų76.138%0.38243%0.431SS..G310 helixtrans-69.7-6.3178.4-59.1179.6000113.7I943 P945 V946 L1016I943-L948 HydrophobicContact CB-CG 4.5Å; I943-L948 HydrophobicContact CD1-CD2 4.02Å; I943-L948 HydrophobicContact CG2-CD2 4.24Å; I943-L948 HydrophobicContact CG2-CG 4.24Å; P945-L948 PolarHBondContact O-N 3.31Å; V946-L948 VanDerWaalsContact C-N 3.31Å; V946-L948 PolarHBondContact O-N 2.91Å; L948-L1016 HydrophobicContact CD2-CD2 4.03Å
949S71.4Confident77.2Confident94 Ų9474.7 Ų74.766%0.65742%0.415SS*.G310 helixtrans-97.1-12.3173.3720000114.1P945 V946 F947P945-S949 PolarHBondContact O-N 3.48Å; V946-S949 PolarHBondContact O-N 2.82Å; V946-S949 VanDerWaalsContact O-N 3.09Å; V946-S949 PolarHBondContact O-OG 3.11Å; F947-S949 PolarHBondContact O-N 3.36Å; F947-S949 VanDerWaalsContact O-N 3.13Å
950S81.8Confident80.1Confident50 Ų5065.7 Ų65.735%0.3537%0.373SS..SBendtrans-110139.1-177.1-710000111.1F947 P952 W955F947-S950 PolarHBondContact O-N 3.44Å; F947-S950 VanDerWaalsContact O-N 3.14Å; S950-P952 VanDerWaalsContact O-CD 3.3Å; S950-P952 WeakPolarHBondContact O-CD 3.4Å; S950-W955 PolarHBondContact O-NE1 3.06Å
951N88.7Confident82.6Confident97 Ų9761.9 Ų61.952%0.51935%0.351SS..  trans-65.9114.8-178.6-74.7-112.3000109.8S953 R954N951-S953 PolarHBondContact O-N 3.09Å; N951-R954 HydrophobicContact CB-CG 4.35Å; N951-R954 PolarHBondContact O-N 3.25Å
952P90.9Very high84.5Confident11 Ų1163.4 Ų63.47%0.07136%0.358CS..G310 helixtrans-66.2-23.5-172.124.8-32.8000113.5S950 R954 W955 G984 L988 L1016S950-P952 VanDerWaalsContact O-CD 3.3Å; S950-P952 WeakPolarHBondContact O-CD 3.4Å; P952-R954 PolarHBondContact O-N 2.98Å; P952-R954 VanDerWaalsContact O-N 3.17Å; P952-W955 HydrophobicContact CB-CD2 4.19Å; P952-W955 HydrophobicContact CB-CE3 4.44Å; P952-W955 HydrophobicContact CB-CH2 4.19Å; P952-W955 HydrophobicContact CB-CZ2 3.9Å; P952-W955 HydrophobicContact CB-CZ3 4.45Å; P952-W955 PolarHBondContact O-N 3.05Å; P952-G984 CarbonylContact O-C 3.59Å; P952-G984 WeakPolarHBondContact O-CA 3.48Å; P952-L988 HydrophobicContact CB-CD1 4.18Å; P952-L988 HydrophobicContact CB-CD2 4.18Å; P952-L988 HydrophobicContact CG-CD1 4.24Å; P952-L988 HydrophobicContact CG-CD2 4.24Å; P952-L1016 HydrophobicContact CB-CB 4.34Å; P952-L1016 HydrophobicContact CB-CD1 4.47Å; P952-L1016 HydrophobicContact CG-CB 4.26Å; P952-L1016 WeakPolarHBondContact CG-O 3.21Å
953S93.1Very high86.1Confident60 Ų6060.2 Ų60.242%0.4233%0.325SS..G310 helixtrans-69.9-1.6173.155.50000115N951 Q985N951-S953 PolarHBondContact O-N 3.09Å; S953-Q985 VanDerWaalsContact O-CG 3.3Å; S953-Q985 WeakPolarHBondContact O-CG 3.13Å
954R93.2Very high87.5Confident197 Ų19759.7 Ų59.774%0.74332%0.323SS*.G310 helixtrans-119.11.6175.6-55.4-167.8-162.2171.46.3114.2N951 P952 S956N951-R954 HydrophobicContact CB-CG 4.35Å; N951-R954 PolarHBondContact O-N 3.25Å; P952-R954 PolarHBondContact O-N 2.98Å; P952-R954 VanDerWaalsContact O-N 3.17Å; R954-S956 PolarHBondContact O-N 2.93Å
955W95.5Very high88.6Confident4 Ų456.8 Ų56.82%0.01531%0.309CS..  trans-64.6132.1-179.1-66.9-6.8000110.7F947 S950 P952 E959 V960 F963 G984 L987 L1016F947-W955 HydrophobicContact CB-CH2 3.78Å; F947-W955 HydrophobicContact CB-CZ2 3.71Å; F947-W955 HydrophobicContact CD1-CH2 4.24Å; F947-W955 HydrophobicContact CD1-CZ2 4.16Å; F947-W955 HydrophobicContact CG-CH2 4.25Å; F947-W955 HydrophobicContact CG-CZ2 4.34Å; F947-W955 WeakPolarHBondContact O-CZ2 3.19Å; S950-W955 PolarHBondContact O-NE1 3.06Å; P952-W955 HydrophobicContact CB-CD2 4.19Å; P952-W955 HydrophobicContact CB-CE3 4.44Å; P952-W955 HydrophobicContact CB-CH2 4.19Å; P952-W955 HydrophobicContact CB-CZ2 3.9Å; P952-W955 HydrophobicContact CB-CZ3 4.45Å; P952-W955 PolarHBondContact O-N 3.05Å; W955-E959 HydrophobicContact CB-CB 3.78Å; W955-E959 HydrophobicContact CG-CB 4.02Å; W955-V960 HydrophobicContact CB-CG2 4.08Å; W955-V960 HydrophobicContact CE3-CG2 4.21Å; W955-F963 HydrophobicContact CE3-CB 4.36Å; W955-F963 HydrophobicContact CH2-CB 4.39Å; W955-F963 AromaticContact CH2-CD2 3.83Å; W955-F963 HydrophobicContact CH2-CD2 3.83Å; W955-F963 HydrophobicContact CH2-CE2 4.26Å; W955-F963 HydrophobicContact CH2-CG 4.06Å; W955-F963 HydrophobicContact CZ3-CB 3.77Å; W955-F963 AromaticContact CZ3-CD1 3.91Å; W955-F963 HydrophobicContact CZ3-CD1 3.91Å; W955-F963 AromaticContact CZ3-CD2 3.81Å; W955-F963 HydrophobicContact CZ3-CD2 3.81Å; W955-F963 HydrophobicContact CZ3-CE1 4.45Å; W955-F963 HydrophobicContact CZ3-CE2 4.36Å; W955-F963 AromaticContact CZ3-CG 3.55Å; W955-F963 HydrophobicContact CZ3-CG 3.55Å; W955-G984 PolarHBondContact O-N 2.9Å; W955-L987 HydrophobicContact CE3-CD2 3.94Å; W955-L987 HydrophobicContact CZ3-CD2 3.83Å; W955-L1016 HydrophobicContact CH2-CD1 3.41Å; W955-L1016 VanDerWaalsContact CH2-CD1 3.41Å; W955-L1016 HydrophobicContact CH2-CD2 3.67Å; W955-L1016 HydrophobicContact CH2-CG 4.19Å; W955-L1016 HydrophobicContact CZ2-CD1 4.48Å; W955-L1016 HydrophobicContact CZ2-CD2 4.17Å; W955-L1016 HydrophobicContact CZ3-CD1 3.56Å
956S96.2Very high89.7Confident54 Ų5454.4 Ų54.438%0.37830%0.295SS..  trans-64.3163.8164.460.40000111.5R954 E958 E959 V960R954-S956 PolarHBondContact O-N 2.93Å; S956-E958 PolarHBondContact O-N 3.34Å; S956-E958 VanDerWaalsContact O-N 3.16Å; S956-E959 WeakPolarHBondContact CB-OE2 3.44Å; S956-E959 PolarHBondContact N-OE2 3.24Å; S956-E959 PolarHBondContact O-N 3.25Å; S956-E959 VanDerWaalsContact O-N 3.13Å; S956-E959 PolarHBondContact OG-N 3.26Å; S956-E959 PolarHBondContact OG-OE2 3.42Å; S956-V960 WeakPolarHBondContact O-CG2 3.46Å; S956-V960 PolarHBondContact O-N 3.43Å
957V97.1Very high90.8Very high40 Ų4050.4 Ų50.424%0.24227%0.271CS..Hα-helixtrans-54.3-32.6173.2-176.90000111.7V960 Y961 R978 D983V957-V960 PolarHBondContact O-N 2.92Å; V957-Y961 WeakPolarHBondContact O-CB 3.36Å; V957-Y961 PolarHBondContact O-N 2.96Å; V957-R978 HydrophobicContact CG1-CB 4.38Å; V957-R978 HydrophobicContact CG1-CG 4.16Å; V957-D983 HydrophobicContact CG2-CB 4.4Å
958E96.8Very high91.4Very high82 Ų8258.5 Ų58.538%0.38331%0.309SS..Hα-helixtrans-75.4-38.6178.7-166.760.1-160.100112.6S956 V960 Y961 E962 R978S956-E958 PolarHBondContact O-N 3.34Å; S956-E958 VanDerWaalsContact O-N 3.16Å; E958-V960 VanDerWaalsContact C-N 3.3Å; E958-V960 PolarHBondContact O-N 3.49Å; E958-Y961 WeakPolarHBondContact O-CB 3.48Å; E958-Y961 PolarHBondContact O-N 3.01Å; E958-E962 WeakPolarHBondContact O-CG 3.46Å; E958-E962 PolarHBondContact O-N 3.34Å; E958-R978 IonicContact OE1-CZ 2.76Å; E958-R978 IonicContact OE1-NH2 3.15Å; E958-R978 PolarHBondContact OE1-NH2 3.45Å; E958-R978 IonicContact OE2-CZ 2.71Å; E958-R978 VanDerWaalsContact OE2-CZ 3.28Å; E958-R978 IonicContact OE2-NE 3.05Å; E958-R978 PolarHBondContact OE2-NE 3.05Å; E958-R978 IonicContact OE2-NH2 3.01Å; E958-R978 PolarHBondContact OE2-NH2 2.88Å
959E95.1Very high92.1Very high70 Ų7057.3 Ų57.333%0.32731%0.314SS..Hα-helixtrans-65.1-34.6171.1-74.116110300111.7W955 S956 F963W955-E959 HydrophobicContact CB-CB 3.78Å; W955-E959 HydrophobicContact CG-CB 4.02Å; S956-E959 WeakPolarHBondContact CB-OE2 3.44Å; S956-E959 PolarHBondContact N-OE2 3.24Å; S956-E959 PolarHBondContact O-N 3.25Å; S956-E959 VanDerWaalsContact O-N 3.13Å; S956-E959 PolarHBondContact OG-N 3.26Å; S956-E959 PolarHBondContact OG-OE2 3.42Å; E959-F963 VanDerWaalsContact O-CB 3.26Å; E959-F963 WeakPolarHBondContact O-CB 3.42Å; E959-F963 PolarHBondContact O-N 3Å
960V96.1Very high93Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-66.1-43.4170.7173.40000111.1W955 S956 V957 E958 F963 I964 F977 I982 L987W955-V960 HydrophobicContact CB-CG2 4.08Å; W955-V960 HydrophobicContact CE3-CG2 4.21Å; S956-V960 WeakPolarHBondContact O-CG2 3.46Å; S956-V960 PolarHBondContact O-N 3.43Å; V957-V960 PolarHBondContact O-N 2.92Å; E958-V960 VanDerWaalsContact C-N 3.3Å; E958-V960 PolarHBondContact O-N 3.49Å; V960-F963 PolarHBondContact O-N 2.87Å; V960-I964 HydrophobicContact CG1-CG1 4.38Å; V960-I964 WeakPolarHBondContact O-CG1 3.2Å; V960-I964 PolarHBondContact O-N 3.35Å; V960-F977 HydrophobicContact CG1-CB 4.4Å; V960-F977 HydrophobicContact CG1-CD1 3.86Å; V960-I982 WeakPolarHBondContact CB-O 3.46Å; V960-I982 HydrophobicContact CG1-CG2 4.22Å; V960-I982 WeakPolarHBondContact CG1-O 3.31Å; V960-I982 WeakPolarHBondContact CG2-O 3.45Å; V960-L987 HydrophobicContact CG1-CB 4.48Å; V960-L987 HydrophobicContact CG1-CD1 4.26Å; V960-L987 HydrophobicContact CG1-CD2 4.19Å; V960-L987 HydrophobicContact CG2-CB 4.31Å; V960-L987 HydrophobicContact CG2-CD2 4.04Å
961Y96.2Very high93.5Very high38 Ų3855.3 Ų55.315%0.14929%0.289CS..Hα-helixtrans-57.6-52.6173.9173.1-89000111.2V957 E958 F963 I964 A965 A974 E975 R978V957-Y961 WeakPolarHBondContact O-CB 3.36Å; V957-Y961 PolarHBondContact O-N 2.96Å; E958-Y961 WeakPolarHBondContact O-CB 3.48Å; E958-Y961 PolarHBondContact O-N 3.01Å; Y961-F963 VanDerWaalsContact C-N 3.3Å; Y961-F963 PolarHBondContact O-N 3.2Å; Y961-I964 PolarHBondContact O-N 3.44Å; Y961-A965 WeakPolarHBondContact O-CB 3.34Å; Y961-A965 PolarHBondContact O-N 2.93Å; Y961-A974 VanDerWaalsContact CD2-C 3.43Å; Y961-A974 HydrophobicContact CD2-CB 3.61Å; Y961-A974 VanDerWaalsContact CD2-O 3.29Å; Y961-A974 WeakPolarHBondContact CD2-O 3.49Å; Y961-A974 HydrophobicContact CE2-CB 3.61Å; Y961-A974 HydrophobicContact CG-CB 4.24Å; Y961-E975 HydrophobicContact CE2-CB 4.41Å; Y961-E975 WeakPolarHBondContact CE2-OE2 3.33Å; Y961-E975 PolarHBondContact OH-OE2 2.92Å; Y961-R978 HydrophobicContact CD2-CB 3.94Å; Y961-R978 VanDerWaalsContact CE2-NH1 3.27Å
962E95.3Very high93.6Very high108 Ų10858.5 Ų58.551%0.50530%0.301SS..Hα-helixtrans-60.8-38.7178.1-69.8-163.7161.600112.1F947 E958 S966F947-E962 HydrophobicContact CE1-CB 4.21Å; F947-E962 HydrophobicContact CZ-CB 3.78Å; E958-E962 WeakPolarHBondContact O-CG 3.46Å; E958-E962 PolarHBondContact O-N 3.34Å; E962-S966 WeakPolarHBondContact O-CB 3.48Å; E962-S966 PolarHBondContact O-N 3.37Å
963F94.8Very high93.7Very high0 Ų058.9 Ų58.90%030%0.302CS..Hα-helixtrans-60.9-52.9175166.1-102.7000111.6I943 F947 W955 E959 V960 Y961 A965 S966 L967 L987 K1012 L1016I943-F963 HydrophobicContact CD1-CE2 4.44Å; I943-F963 HydrophobicContact CG1-CE2 4.35Å; I943-F963 HydrophobicContact CG2-CD2 4.11Å; I943-F963 HydrophobicContact CG2-CE2 3.82Å; F947-F963 HydrophobicContact CB-CD2 4.4Å; F947-F963 HydrophobicContact CD1-CB 4.15Å; F947-F963 HydrophobicContact CD2-CB 4.38Å; F947-F963 HydrophobicContact CD2-CD2 4.07Å; F947-F963 HydrophobicContact CE1-CB 4.03Å; F947-F963 HydrophobicContact CE2-CB 4.27Å; F947-F963 HydrophobicContact CG-CB 4.35Å; F947-F963 HydrophobicContact CG-CD2 4.14Å; F947-F963 HydrophobicContact CZ-CB 4.12Å; W955-F963 HydrophobicContact CE3-CB 4.36Å; W955-F963 HydrophobicContact CH2-CB 4.39Å; W955-F963 AromaticContact CH2-CD2 3.83Å; W955-F963 HydrophobicContact CH2-CD2 3.83Å; W955-F963 HydrophobicContact CH2-CE2 4.26Å; W955-F963 HydrophobicContact CH2-CG 4.06Å; W955-F963 HydrophobicContact CZ3-CB 3.77Å; W955-F963 AromaticContact CZ3-CD1 3.91Å; W955-F963 HydrophobicContact CZ3-CD1 3.91Å; W955-F963 AromaticContact CZ3-CD2 3.81Å; W955-F963 HydrophobicContact CZ3-CD2 3.81Å; W955-F963 HydrophobicContact CZ3-CE1 4.45Å; W955-F963 HydrophobicContact CZ3-CE2 4.36Å; W955-F963 AromaticContact CZ3-CG 3.55Å; W955-F963 HydrophobicContact CZ3-CG 3.55Å; E959-F963 VanDerWaalsContact O-CB 3.26Å; E959-F963 WeakPolarHBondContact O-CB 3.42Å; E959-F963 PolarHBondContact O-N 3Å; V960-F963 PolarHBondContact O-N 2.87Å; Y961-F963 VanDerWaalsContact C-N 3.3Å; Y961-F963 PolarHBondContact O-N 3.2Å; F963-A965 VanDerWaalsContact C-N 3.33Å; F963-A965 PolarHBondContact O-N 3.37Å; F963-S966 WeakPolarHBondContact O-CB 3.49Å; F963-S966 PolarHBondContact O-N 3.06Å; F963-S966 PolarHBondContact O-OG 3.47Å; F963-L967 HydrophobicContact CE1-CD1 4.35Å; F963-L967 HydrophobicContact CE2-CD2 4.48Å; F963-L967 HydrophobicContact CZ-CD1 4.38Å; F963-L967 WeakPolarHBondContact O-CG 3.27Å; F963-L967 PolarHBondContact O-N 3.4Å; F963-L987 HydrophobicContact CD1-CD2 3.97Å; F963-L987 HydrophobicContact CE1-CD2 4.03Å; F963-K1012 HydrophobicContact CZ-CB 3.78Å; F963-L1016 HydrophobicContact CD2-CD1 4.35Å; F963-L1016 HydrophobicContact CE1-CD1 3.9Å; F963-L1016 HydrophobicContact CE2-CD1 3.67Å; F963-L1016 HydrophobicContact CE2-CG 4.32Å; F963-L1016 HydrophobicContact CZ-CD1 3.4Å; F963-L1016 HydrophobicContact CZ-CG 4.24Å
964I95.3Very high93.9Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-64.6-38.5179.4-62.4-65000111V960 Y961 S966 L967 C970 A974 F977 L987 I1009V960-I964 HydrophobicContact CG1-CG1 4.38Å; V960-I964 WeakPolarHBondContact O-CG1 3.2Å; V960-I964 PolarHBondContact O-N 3.35Å; Y961-I964 PolarHBondContact O-N 3.44Å; I964-S966 VanDerWaalsContact C-N 3.34Å; I964-S966 PolarHBondContact O-N 3.39Å; I964-L967 HydrophobicContact CD1-CD1 4.25Å; I964-L967 WeakPolarHBondContact O-CB 3.27Å; I964-L967 PolarHBondContact O-N 2.98Å; I964-L967 VanDerWaalsContact O-N 3.15Å; I964-C970 HydrophobicContact CG2-CB 4.22Å; I964-C970 WeakPolarHBondContact O-CB 3.17Å; I964-A974 HydrophobicContact CB-CB 4.12Å; I964-A974 HydrophobicContact CG2-CB 3.96Å; I964-F977 HydrophobicContact CD1-CD1 4.27Å; I964-F977 HydrophobicContact CD1-CE1 3.87Å; I964-F977 HydrophobicContact CD1-CE2 4.36Å; I964-F977 HydrophobicContact CD1-CZ 3.93Å; I964-F977 HydrophobicContact CG1-CD1 3.88Å; I964-F977 HydrophobicContact CG1-CD2 4.28Å; I964-F977 HydrophobicContact CG1-CE1 4.01Å; I964-F977 HydrophobicContact CG1-CE2 4.4Å; I964-F977 HydrophobicContact CG1-CG 4.02Å; I964-F977 HydrophobicContact CG1-CZ 4.27Å; I964-F977 HydrophobicContact CG2-CD2 4.28Å; I964-F977 HydrophobicContact CG2-CE2 4.39Å; I964-L987 HydrophobicContact CD1-CD1 4.37Å; I964-I1009 HydrophobicContact CD1-CD1 4.4Å; I964-I1009 HydrophobicContact CD1-CG1 4.18Å; I964-I1009 HydrophobicContact CD1-CG2 3.7Å; I964-I1009 HydrophobicContact CG2-CD1 4.4Å
965A94.5Very high93.9Very high15 Ų1550.7 Ų50.712%0.12427%0.265CS..Hα-helixtrans-58.9-42.5173.500000112.3Y961 F963 L967 Q971 A974Y961-A965 WeakPolarHBondContact O-CB 3.34Å; Y961-A965 PolarHBondContact O-N 2.93Å; F963-A965 VanDerWaalsContact C-N 3.33Å; F963-A965 PolarHBondContact O-N 3.37Å; A965-L967 PolarHBondContact O-N 3.02Å; A965-Q971 VanDerWaalsContact CB-NE2 3.32Å; A965-A974 HydrophobicContact CB-CB 3.99Å
966S93.2Very high93.9Very high47 Ų4754.2 Ų54.233%0.32928%0.282SS..Hα-helixtrans-64-18.9177.883.10000113.7E962 F963 I964 Q968E962-S966 WeakPolarHBondContact O-CB 3.48Å; E962-S966 PolarHBondContact O-N 3.37Å; F963-S966 WeakPolarHBondContact O-CB 3.49Å; F963-S966 PolarHBondContact O-N 3.06Å; F963-S966 PolarHBondContact O-OG 3.47Å; I964-S966 VanDerWaalsContact C-N 3.34Å; I964-S966 PolarHBondContact O-N 3.39Å; S966-Q968 PolarHBondContact O-N 2.99Å
967L92.4Very high93.9Very high6 Ų651.7 Ų51.73%0.03126%0.264CS..SBendtrans-75.8113.4177.3-56-177000110.2F963 I964 A965 G969 C970 I1009 K1012F963-L967 HydrophobicContact CE1-CD1 4.35Å; F963-L967 HydrophobicContact CE2-CD2 4.48Å; F963-L967 HydrophobicContact CZ-CD1 4.38Å; F963-L967 WeakPolarHBondContact O-CG 3.27Å; F963-L967 PolarHBondContact O-N 3.4Å; I964-L967 HydrophobicContact CD1-CD1 4.25Å; I964-L967 WeakPolarHBondContact O-CB 3.27Å; I964-L967 PolarHBondContact O-N 2.98Å; I964-L967 VanDerWaalsContact O-N 3.15Å; A965-L967 PolarHBondContact O-N 3.02Å; L967-G969 PolarHBondContact O-N 3.42Å; L967-C970 HydrophobicContact CB-CB 3.95Å; L967-C970 WeakPolarHBondContact O-CB 3.21Å; L967-C970 PolarHBondContact O-N 3.11Å; L967-I1009 HydrophobicContact CD1-CG1 4.14Å; L967-K1012 HydrophobicContact CD1-CB 4.22Å; L967-K1012 HydrophobicContact CD1-CG 3.89Å; L967-K1012 HydrophobicContact CD2-CD 4.2Å; L967-K1012 HydrophobicContact CD2-CG 3.82Å
968Q89.3Confident93.8Very high183 Ų18353.3 Ų53.386%0.85527%0.266SS*.THydrogen-bonded Turntrans-46.8112.3-177.4-176.6-178.846.700112.8S966 K1008S966-Q968 PolarHBondContact O-N 2.99Å; Q968-K1008 PolarHBondContact O-NZ 3.18Å
969G86.8Confident93.8Very high48 Ų4853.5 Ų53.550%0.49528%0.276SS..THydrogen-bonded Turntrans73.238.3-177.500000113.9L967 K1008L967-G969 PolarHBondContact O-N 3.42Å; G969-K1008 PolarHBondContact O-NZ 3.46Å
970C91.4Very high93.8Very high0 Ų053.6 Ų53.60%028%0.276CS..  trans-131.54.7166.4-65.50000112.5I964 L967 E972 I973 A974 K1008I964-C970 HydrophobicContact CG2-CB 4.22Å; I964-C970 WeakPolarHBondContact O-CB 3.17Å; L967-C970 HydrophobicContact CB-CB 3.95Å; L967-C970 WeakPolarHBondContact O-CB 3.21Å; L967-C970 PolarHBondContact O-N 3.11Å; C970-E972 VanDerWaalsContact C-N 3.28Å; C970-E972 PolarHBondContact O-N 3.42Å; C970-I973 WeakPolarHBondContact O-CA 3.36Å; C970-I973 WeakPolarHBondContact O-CB 3.26Å; C970-I973 PolarHBondContact O-N 3.23Å; C970-A974 PolarHBondContact O-N 3.13Å; C970-A974 VanDerWaalsContact O-N 3.13Å; C970-K1008 PolarHBondContact SG-NZ 3.5Å
971Q91.8Very high93.8Very high102 Ų10261.2 Ų61.248%0.47731%0.312SS..Hα-helixtrans-53.9-43.2177.3-175.170.964.100112.6A965 I973 A974A965-Q971 VanDerWaalsContact CB-NE2 3.32Å; Q971-I973 PolarHBondContact O-N 3.38Å; Q971-A974 PolarHBondContact O-N 2.96Å
972E91Very high93.8Very high164 Ų16460.1 Ų60.177%0.76631%0.309SS*.Hα-helixtrans-66.5-8.1175.966.3-150.3-132.300114.5C970C970-E972 VanDerWaalsContact C-N 3.28Å; C970-E972 PolarHBondContact O-N 3.42Å
973I93.5Very high93.9Very high19 Ų1957.1 Ų57.110%0.09730%0.296CS..Hα-helixtrans-108.6-20.8179.6-64.5158.9000111C970 Q971 E975 E976 F977 I1001 P1005 I1009C970-I973 WeakPolarHBondContact O-CA 3.36Å; C970-I973 WeakPolarHBondContact O-CB 3.26Å; C970-I973 PolarHBondContact O-N 3.23Å; Q971-I973 PolarHBondContact O-N 3.38Å; I973-E975 PolarHBondContact O-N 3.35Å; I973-E976 WeakPolarHBondContact O-CB 3.26Å; I973-E976 PolarHBondContact O-N 2.96Å; I973-E976 VanDerWaalsContact O-N 3.09Å; I973-F977 HydrophobicContact CG2-CD2 4.06Å; I973-F977 HydrophobicContact CG2-CE2 3.8Å; I973-F977 WeakPolarHBondContact O-CD2 3.29Å; I973-F977 PolarHBondContact O-N 3.17Å; I973-I1001 HydrophobicContact CD1-CG2 3.89Å; I973-I1001 HydrophobicContact CG2-CD1 3.53Å; I973-I1001 HydrophobicContact CG2-CG1 3.83Å; I973-I1001 HydrophobicContact CG2-CG2 4.4Å; I973-P1005 HydrophobicContact CD1-CB 3.35Å; I973-P1005 HydrophobicContact CD1-CG 3.94Å; I973-I1009 HydrophobicContact CG2-CD1 4.02Å
974A95.5Very high93.9Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-58.2-38.8179.100000112Y961 I964 A965 C970 Q971 E976 F977 R978Y961-A974 VanDerWaalsContact CD2-C 3.43Å; Y961-A974 HydrophobicContact CD2-CB 3.61Å; Y961-A974 VanDerWaalsContact CD2-O 3.29Å; Y961-A974 WeakPolarHBondContact CD2-O 3.49Å; Y961-A974 HydrophobicContact CE2-CB 3.61Å; Y961-A974 HydrophobicContact CG-CB 4.24Å; I964-A974 HydrophobicContact CB-CB 4.12Å; I964-A974 HydrophobicContact CG2-CB 3.96Å; A965-A974 HydrophobicContact CB-CB 3.99Å; C970-A974 PolarHBondContact O-N 3.13Å; C970-A974 VanDerWaalsContact O-N 3.13Å; Q971-A974 PolarHBondContact O-N 2.96Å; A974-E976 PolarHBondContact O-N 3.43Å; A974-F977 WeakPolarHBondContact O-CB 3.44Å; A974-F977 PolarHBondContact O-N 3.02Å; A974-F977 VanDerWaalsContact O-N 3.07Å; A974-R978 PolarHBondContact O-N 2.99Å
975E94.8Very high93.9Very high85 Ų8562.7 Ų62.740%0.39732%0.322SS..Hα-helixtrans-62.8-28.9178.5-152.162.3-11600112.9Y961 I973 R978 S979Y961-E975 HydrophobicContact CE2-CB 4.41Å; Y961-E975 WeakPolarHBondContact CE2-OE2 3.33Å; Y961-E975 PolarHBondContact OH-OE2 2.92Å; I973-E975 PolarHBondContact O-N 3.35Å; E975-R978 PolarHBondContact O-N 3.11Å; E975-R978 IonicContact OE1-CZ 3.8Å; E975-R978 IonicContact OE1-NH1 2.71Å; E975-R978 PolarHBondContact OE1-NH1 3.26Å; E975-R978 IonicContact OE2-NH1 2.72Å; E975-R978 PolarHBondContact OE2-NH1 2.9Å; E975-S979 VanDerWaalsContact O-CB 3.28Å; E975-S979 WeakPolarHBondContact O-CB 3.49Å; E975-S979 PolarHBondContact O-N 2.94Å; E975-S979 PolarHBondContact O-OG 3.48Å
976E94.5Very high94Very high78 Ų7863.5 Ų63.536%0.36433%0.329SS..Hα-helixtrans-69.3-41.3173.4-166.366.1-133.700110.8I973 A974 R978 S979 Q980 M999I973-E976 WeakPolarHBondContact O-CB 3.26Å; I973-E976 PolarHBondContact O-N 2.96Å; I973-E976 VanDerWaalsContact O-N 3.09Å; A974-E976 PolarHBondContact O-N 3.43Å; E976-R978 VanDerWaalsContact C-N 3.33Å; E976-R978 PolarHBondContact O-N 3.13Å; E976-S979 PolarHBondContact O-N 2.96Å; E976-Q980 WeakPolarHBondContact O-CB 3.3Å; E976-Q980 WeakPolarHBondContact O-CG 3.39Å; E976-Q980 PolarHBondContact O-N 3.48Å; E976-Q980 PolarHBondContact OE1-NE2 3.48Å; E976-M999 HydrophobicContact CG-CB 3.97Å; E976-M999 HydrophobicContact CG-CG 4.39Å; E976-M999 HydrophobicContact CG-SD 4.1Å
977F96Very high94.1Very high0 Ų061.3 Ų61.30%031%0.313CS..Hα-helixtrans-63.8-37.4174.7-80.3-113.7000112.1V960 I964 I973 A974 E981 I982 L987 L990 L995 M999 I1001 I1009V960-F977 HydrophobicContact CG1-CB 4.4Å; V960-F977 HydrophobicContact CG1-CD1 3.86Å; I964-F977 HydrophobicContact CD1-CD1 4.27Å; I964-F977 HydrophobicContact CD1-CE1 3.87Å; I964-F977 HydrophobicContact CD1-CE2 4.36Å; I964-F977 HydrophobicContact CD1-CZ 3.93Å; I964-F977 HydrophobicContact CG1-CD1 3.88Å; I964-F977 HydrophobicContact CG1-CD2 4.28Å; I964-F977 HydrophobicContact CG1-CE1 4.01Å; I964-F977 HydrophobicContact CG1-CE2 4.4Å; I964-F977 HydrophobicContact CG1-CG 4.02Å; I964-F977 HydrophobicContact CG1-CZ 4.27Å; I964-F977 HydrophobicContact CG2-CD2 4.28Å; I964-F977 HydrophobicContact CG2-CE2 4.39Å; I973-F977 HydrophobicContact CG2-CD2 4.06Å; I973-F977 HydrophobicContact CG2-CE2 3.8Å; I973-F977 WeakPolarHBondContact O-CD2 3.29Å; I973-F977 PolarHBondContact O-N 3.17Å; A974-F977 WeakPolarHBondContact O-CB 3.44Å; A974-F977 PolarHBondContact O-N 3.02Å; A974-F977 VanDerWaalsContact O-N 3.07Å; F977-E981 PolarHBondContact O-N 2.98Å; F977-I982 HydrophobicContact CB-CB 4.35Å; F977-I982 HydrophobicContact CB-CG1 4.38Å; F977-I982 HydrophobicContact CD1-CB 3.99Å; F977-I982 HydrophobicContact CD1-CG1 4.12Å; F977-I982 HydrophobicContact CD1-CG2 3.84Å; F977-I982 HydrophobicContact CE1-CG2 4.34Å; F977-I982 HydrophobicContact CG-CG1 4.43Å; F977-I982 WeakPolarHBondContact O-CB 3.49Å; F977-I982 WeakPolarHBondContact O-CG1 3.26Å; F977-I982 PolarHBondContact O-N 3.19Å; F977-L987 HydrophobicContact CD1-CD1 4.3Å; F977-L987 HydrophobicContact CE1-CD1 3.74Å; F977-L990 HydrophobicContact CD1-CD1 4.3Å; F977-L990 HydrophobicContact CE1-CD1 3.54Å; F977-L990 HydrophobicContact CZ-CD1 4.13Å; F977-L995 HydrophobicContact CE1-CD2 4.5Å; F977-L995 HydrophobicContact CE2-CD2 4.42Å; F977-L995 HydrophobicContact CZ-CD2 3.7Å; F977-M999 HydrophobicContact CD1-CE 4.16Å; F977-M999 HydrophobicContact CD2-CE 4Å; F977-M999 HydrophobicContact CD2-SD 4.07Å; F977-M999 HydrophobicContact CE1-CE 3.76Å; F977-M999 HydrophobicContact CE2-CE 3.58Å; F977-M999 HydrophobicContact CE2-SD 4.12Å; F977-M999 HydrophobicContact CG-CE 4.27Å; F977-M999 HydrophobicContact CG-SD 4.46Å; F977-M999 HydrophobicContact CZ-CE 3.45Å; F977-M999 VanDerWaalsContact CZ-CE 3.45Å; F977-I1001 HydrophobicContact CE2-CD1 3.73Å; F977-I1001 HydrophobicContact CZ-CD1 4.44Å; F977-I1009 HydrophobicContact CE2-CD1 4.11Å; F977-I1009 HydrophobicContact CZ-CD1 4.25Å; F977-I1009 HydrophobicContact CZ-CG2 3.96Å
978R96.1Very high94.3Very high75 Ų7562.2 Ų62.228%0.28332%0.318SS..Hα-helixtrans-67.9-44.5172.8-170.3-167.6-78.5136.1-9.9111.2V957 E958 Y961 A974 E975 E976 Q980 E981V957-R978 HydrophobicContact CG1-CB 4.38Å; V957-R978 HydrophobicContact CG1-CG 4.16Å; E958-R978 IonicContact OE1-CZ 2.76Å; E958-R978 IonicContact OE1-NH2 3.15Å; E958-R978 PolarHBondContact OE1-NH2 3.45Å; E958-R978 IonicContact OE2-CZ 2.71Å; E958-R978 VanDerWaalsContact OE2-CZ 3.28Å; E958-R978 IonicContact OE2-NE 3.05Å; E958-R978 PolarHBondContact OE2-NE 3.05Å; E958-R978 IonicContact OE2-NH2 3.01Å; E958-R978 PolarHBondContact OE2-NH2 2.88Å; Y961-R978 HydrophobicContact CD2-CB 3.94Å; Y961-R978 VanDerWaalsContact CE2-NH1 3.27Å; A974-R978 PolarHBondContact O-N 2.99Å; E975-R978 PolarHBondContact O-N 3.11Å; E975-R978 IonicContact OE1-CZ 3.8Å; E975-R978 IonicContact OE1-NH1 2.71Å; E975-R978 PolarHBondContact OE1-NH1 3.26Å; E975-R978 IonicContact OE2-NH1 2.72Å; E975-R978 PolarHBondContact OE2-NH1 2.9Å; E976-R978 VanDerWaalsContact C-N 3.33Å; E976-R978 PolarHBondContact O-N 3.13Å; R978-Q980 VanDerWaalsContact C-N 3.28Å; R978-Q980 PolarHBondContact O-N 2.83Å; R978-E981 PolarHBondContact O-N 3.49Å; R978-E981 VanDerWaalsContact O-N 3.09Å
979S95.4Very high94.5Very high86 Ų8659.6 Ų59.660%0.60131%0.31SS*.Hα-helixtrans-65.8-27.4-179.2-59.10000113.7E975 E976E975-S979 VanDerWaalsContact O-CB 3.28Å; E975-S979 WeakPolarHBondContact O-CB 3.49Å; E975-S979 PolarHBondContact O-N 2.94Å; E975-S979 PolarHBondContact O-OG 3.48Å; E976-S979 PolarHBondContact O-N 2.96Å
980Q95.4Very high94.9Very high71 Ų7158.3 Ų58.333%0.33229%0.291SS..THydrogen-bonded Turntrans-96.414.7174.5-59.5-164.320.400113.3E976 R978 I982 A998E976-Q980 WeakPolarHBondContact O-CB 3.3Å; E976-Q980 WeakPolarHBondContact O-CG 3.39Å; E976-Q980 PolarHBondContact O-N 3.48Å; E976-Q980 PolarHBondContact OE1-NE2 3.48Å; R978-Q980 VanDerWaalsContact C-N 3.28Å; R978-Q980 PolarHBondContact O-N 2.83Å; Q980-I982 HydrophobicContact CB-CD1 4.08Å; Q980-I982 HydrophobicContact CB-CG1 4.06Å; Q980-I982 PolarHBondContact O-N 3.4Å; Q980-I982 VanDerWaalsContact O-N 3.12Å; Q980-A998 PolarHBondContact NE2-O 3.34Å
981E96.4Very high95.1Very high160 Ų16063.4 Ų63.475%0.74831%0.313SS*.THydrogen-bonded Turntrans51.135.6176.6-56.7-170118.900114.1F977 R978 D983F977-E981 PolarHBondContact O-N 2.98Å; R978-E981 PolarHBondContact O-N 3.49Å; R978-E981 VanDerWaalsContact O-N 3.09Å; E981-D983 PolarHBondContact O-N 3.29Å
982I96.6Very high95.2Very high16 Ų1662.2 Ų62.28%0.08231%0.308CS..  trans-71.2101.3-176.3-54.3-62.5000110.1V960 F977 Q980 A986 L987 L990 M999V960-I982 WeakPolarHBondContact CB-O 3.46Å; V960-I982 HydrophobicContact CG1-CG2 4.22Å; V960-I982 WeakPolarHBondContact CG1-O 3.31Å; V960-I982 WeakPolarHBondContact CG2-O 3.45Å; F977-I982 HydrophobicContact CB-CB 4.35Å; F977-I982 HydrophobicContact CB-CG1 4.38Å; F977-I982 HydrophobicContact CD1-CB 3.99Å; F977-I982 HydrophobicContact CD1-CG1 4.12Å; F977-I982 HydrophobicContact CD1-CG2 3.84Å; F977-I982 HydrophobicContact CE1-CG2 4.34Å; F977-I982 HydrophobicContact CG-CG1 4.43Å; F977-I982 WeakPolarHBondContact O-CB 3.49Å; F977-I982 WeakPolarHBondContact O-CG1 3.26Å; F977-I982 PolarHBondContact O-N 3.19Å; Q980-I982 HydrophobicContact CB-CD1 4.08Å; Q980-I982 HydrophobicContact CB-CG1 4.06Å; Q980-I982 PolarHBondContact O-N 3.4Å; Q980-I982 VanDerWaalsContact O-N 3.12Å; I982-A986 HydrophobicContact CG2-CB 4.02Å; I982-L987 HydrophobicContact CG2-CB 4.17Å; I982-L990 HydrophobicContact CD1-CD1 4.47Å; I982-L990 HydrophobicContact CG2-CD1 3.84Å; I982-M999 HydrophobicContact CG1-CE 4.42Å
983D96.6Very high95.4Very high44 Ų4459 Ų5924%0.23529%0.293CS..  trans-76.7174170.293-38.9000112.2V957 E981 Q985 A986 L987V957-D983 HydrophobicContact CG2-CB 4.4Å; E981-D983 PolarHBondContact O-N 3.29Å; D983-Q985 PolarHBondContact O-N 3.47Å; D983-Q985 WeakPolarHBondContact OD1-CB 3.31Å; D983-Q985 PolarHBondContact OD1-N 2.92Å; D983-Q985 VanDerWaalsContact OD1-N 3.14Å; D983-Q985 WeakPolarHBondContact OD2-CB 3.46Å; D983-Q985 WeakPolarHBondContact OD2-CG 3.36Å; D983-Q985 PolarHBondContact OD2-N 3.39Å; D983-Q985 PolarHBondContact OD2-NE2 3.02Å; D983-A986 PolarHBondContact O-N 3.33Å; D983-A986 WeakPolarHBondContact OD1-CB 3.35Å; D983-A986 PolarHBondContact OD1-N 2.72Å; D983-L987 WeakPolarHBondContact O-CB 3.4Å; D983-L987 PolarHBondContact O-N 3.37Å
984G95.9Very high95.4Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-61.1-29179.100000114.3P952 W955 L988P952-G984 CarbonylContact O-C 3.59Å; P952-G984 WeakPolarHBondContact O-CA 3.48Å; W955-G984 PolarHBondContact O-N 2.9Å; G984-L988 WeakPolarHBondContact O-CD1 3.4Å; G984-L988 VanDerWaalsContact O-CG 3.25Å; G984-L988 WeakPolarHBondContact O-CG 3.43Å; G984-L988 PolarHBondContact O-N 3.04Å
985Q95.2Very high95.4Very high118 Ų11861.7 Ų61.755%0.55131%0.305SS*.Hα-helixtrans-73.8-47.3177-59.3171.696.500110.8S953 D983 L987 L988 L989S953-Q985 VanDerWaalsContact O-CG 3.3Å; S953-Q985 WeakPolarHBondContact O-CG 3.13Å; D983-Q985 PolarHBondContact O-N 3.47Å; D983-Q985 WeakPolarHBondContact OD1-CB 3.31Å; D983-Q985 PolarHBondContact OD1-N 2.92Å; D983-Q985 VanDerWaalsContact OD1-N 3.14Å; D983-Q985 WeakPolarHBondContact OD2-CB 3.46Å; D983-Q985 WeakPolarHBondContact OD2-CG 3.36Å; D983-Q985 PolarHBondContact OD2-N 3.39Å; D983-Q985 PolarHBondContact OD2-NE2 3.02Å; Q985-L987 VanDerWaalsContact C-N 3.34Å; Q985-L987 PolarHBondContact O-N 3.05Å; Q985-L988 PolarHBondContact O-N 2.79Å; Q985-L989 WeakPolarHBondContact O-CG 3.33Å; Q985-L989 PolarHBondContact O-N 2.99Å
986A96.4Very high95.5Very high32 Ų3261.2 Ų61.226%0.26430%0.303SS..Hα-helixtrans-59.2-4417300000111.3I982 D983 L988 L989 L990I982-A986 HydrophobicContact CG2-CB 4.02Å; D983-A986 PolarHBondContact O-N 3.33Å; D983-A986 WeakPolarHBondContact OD1-CB 3.35Å; D983-A986 PolarHBondContact OD1-N 2.72Å; A986-L988 VanDerWaalsContact C-N 3.28Å; A986-L988 PolarHBondContact O-N 3.35Å; A986-L989 CarbonylContact O-C 3.58Å; A986-L989 WeakPolarHBondContact O-CA 3.42Å; A986-L989 PolarHBondContact O-N 3.34Å; A986-L990 WeakPolarHBondContact O-CG 3.5Å; A986-L990 PolarHBondContact O-N 3.03Å
987L96.1Very high95.3Very high0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-53.7-42.9176.7179.467.6000112.4W955 V960 F963 I964 F977 I982 D983 Q985 L989 L990 I1013 L1016W955-L987 HydrophobicContact CE3-CD2 3.94Å; W955-L987 HydrophobicContact CZ3-CD2 3.83Å; V960-L987 HydrophobicContact CG1-CB 4.48Å; V960-L987 HydrophobicContact CG1-CD1 4.26Å; V960-L987 HydrophobicContact CG1-CD2 4.19Å; V960-L987 HydrophobicContact CG2-CB 4.31Å; V960-L987 HydrophobicContact CG2-CD2 4.04Å; F963-L987 HydrophobicContact CD1-CD2 3.97Å; F963-L987 HydrophobicContact CE1-CD2 4.03Å; I964-L987 HydrophobicContact CD1-CD1 4.37Å; F977-L987 HydrophobicContact CD1-CD1 4.3Å; F977-L987 HydrophobicContact CE1-CD1 3.74Å; I982-L987 HydrophobicContact CG2-CB 4.17Å; D983-L987 WeakPolarHBondContact O-CB 3.4Å; D983-L987 PolarHBondContact O-N 3.37Å; Q985-L987 VanDerWaalsContact C-N 3.34Å; Q985-L987 PolarHBondContact O-N 3.05Å; L987-L989 VanDerWaalsContact C-N 3.26Å; L987-L989 PolarHBondContact O-N 3.34Å; L987-L990 HydrophobicContact CD1-CD1 4.45Å; L987-L990 PolarHBondContact O-N 3.39Å; L987-I1013 HydrophobicContact CD1-CD1 3.73Å; L987-I1013 HydrophobicContact CD1-CG1 3.78Å; L987-I1013 HydrophobicContact CG-CD1 4.43Å; L987-I1013 HydrophobicContact CG-CG1 4.11Å; L987-I1013 WeakPolarHBondContact O-CG2 3.31Å; L987-L1016 HydrophobicContact CD2-CD1 4.31Å
988L94.7Very high95Very high26 Ų2665.3 Ų65.314%0.13634%0.344CS..Hα-helixtrans-73.8-16.7179.3-63.7166.9000113.2P952 G984 Q985 A986 L1016 K1017P952-L988 HydrophobicContact CB-CD1 4.18Å; P952-L988 HydrophobicContact CB-CD2 4.18Å; P952-L988 HydrophobicContact CG-CD1 4.24Å; P952-L988 HydrophobicContact CG-CD2 4.24Å; G984-L988 WeakPolarHBondContact O-CD1 3.4Å; G984-L988 VanDerWaalsContact O-CG 3.25Å; G984-L988 WeakPolarHBondContact O-CG 3.43Å; G984-L988 PolarHBondContact O-N 3.04Å; Q985-L988 PolarHBondContact O-N 2.79Å; A986-L988 VanDerWaalsContact C-N 3.28Å; A986-L988 PolarHBondContact O-N 3.35Å; L988-L1016 HydrophobicContact CD2-CB 4.09Å; L988-K1017 HydrophobicContact CB-CD 4.49Å; L988-K1017 HydrophobicContact CB-CG 4.44Å; L988-K1017 HydrophobicContact CD2-CD 4.2Å; L988-K1017 HydrophobicContact CD2-CG 3.49Å; L988-K1017 VanDerWaalsContact CD2-CG 3.49Å; L988-K1017 WeakPolarHBondContact O-CD 3.5Å; L988-K1017 WeakPolarHBondContact O-CE 3.31Å; L988-K1017 PolarHBondContact O-NZ 3.08Å
989L95Very high94.8Very high128 Ų12862.1 Ų62.167%0.6733%0.333SS*.Hα-helixtrans-94.8-15.8174.4-64174.1000113.4Q985 A986 L987Q985-L989 WeakPolarHBondContact O-CG 3.33Å; Q985-L989 PolarHBondContact O-N 2.99Å; A986-L989 CarbonylContact O-C 3.58Å; A986-L989 WeakPolarHBondContact O-CA 3.42Å; A986-L989 PolarHBondContact O-N 3.34Å; L987-L989 VanDerWaalsContact C-N 3.26Å; L987-L989 PolarHBondContact O-N 3.34Å
990L95Very high94.6Very high21 Ų2164.9 Ų64.911%0.1134%0.341CS..  trans-62.9145.5175.5-74.6176.6000112.2F977 I982 A986 L987 H994 L995 M999 I1013F977-L990 HydrophobicContact CD1-CD1 4.3Å; F977-L990 HydrophobicContact CE1-CD1 3.54Å; F977-L990 HydrophobicContact CZ-CD1 4.13Å; I982-L990 HydrophobicContact CD1-CD1 4.47Å; I982-L990 HydrophobicContact CG2-CD1 3.84Å; A986-L990 WeakPolarHBondContact O-CG 3.5Å; A986-L990 PolarHBondContact O-N 3.03Å; L987-L990 HydrophobicContact CD1-CD1 4.45Å; L987-L990 PolarHBondContact O-N 3.39Å; L990-H994 HydrophobicContact CD2-CB 3.66Å; L990-L995 HydrophobicContact CB-CD2 4.34Å; L990-L995 HydrophobicContact CD1-CD2 3.97Å; L990-M999 HydrophobicContact CD1-CE 3.58Å; L990-M999 HydrophobicContact CD2-CE 4.21Å; L990-I1013 HydrophobicContact CB-CD1 4.17Å
991K94.6Very high94.6Very high106 Ų10662 Ų6246%0.46133%0.328SS..  trans-137.9170.8178.4-54.2168.5177.6169.80110E993 H994 L995K991-E993 VanDerWaalsContact C-N 3.27Å; K991-E993 WeakPolarHBondContact CB-OE2 3.46Å; K991-E993 HydrophobicContact CD-CG 4.46Å; K991-E993 WeakPolarHBondContact CD-OE1 3.5Å; K991-E993 WeakPolarHBondContact CD-OE2 3.46Å; K991-E993 WeakPolarHBondContact CE-OE1 3.42Å; K991-E993 IonicContact NZ-OE1 3.28Å; K991-E993 PolarHBondContact NZ-OE1 3.09Å; K991-E993 PolarHBondContact O-N 2.9Å; K991-H994 PolarHBondContact O-N 3.4Å; K991-L995 WeakPolarHBondContact O-CG 3.39Å; K991-L995 PolarHBondContact O-N 2.98Å; K991-L995 VanDerWaalsContact O-N 3.11Å
992E95.1Very high94.6Very high78 Ų7862.5 Ų62.536%0.36433%0.328SS..Hα-helixtrans-53-42.2-179.6-170.4175.9155.300112.4H994 L995 M996 L1003 L1007 C1010E992-H994 VanDerWaalsContact C-N 3.34Å; E992-H994 PolarHBondContact O-N 3.18Å; E992-L995 PolarHBondContact O-N 3.22Å; E992-M996 HydrophobicContact CG-SD 4.08Å; E992-M996 WeakPolarHBondContact O-CB 3.48Å; E992-M996 WeakPolarHBondContact O-CG 3.48Å; E992-M996 PolarHBondContact O-N 3.5Å; E992-L1003 WeakPolarHBondContact OE1-CD1 3.41Å; E992-L1007 HydrophobicContact CG-CD2 4.43Å; E992-L1007 WeakPolarHBondContact OE2-CD2 3.47Å; E992-C1010 PolarHBondContact N-SG 2.98Å
993E94.2Very high94.4Very high96 Ų9665.6 Ų65.645%0.44934%0.344SS..Hα-helixtrans-62.9-37178.164.7-93.8-140.100112.9K991 S997K991-E993 VanDerWaalsContact C-N 3.27Å; K991-E993 WeakPolarHBondContact CB-OE2 3.46Å; K991-E993 HydrophobicContact CD-CG 4.46Å; K991-E993 WeakPolarHBondContact CD-OE1 3.5Å; K991-E993 WeakPolarHBondContact CD-OE2 3.46Å; K991-E993 WeakPolarHBondContact CE-OE1 3.42Å; K991-E993 IonicContact NZ-OE1 3.28Å; K991-E993 PolarHBondContact NZ-OE1 3.09Å; K991-E993 PolarHBondContact O-N 2.9Å; E993-S997 WeakPolarHBondContact O-CB 3.36Å; E993-S997 PolarHBondContact O-N 3.43Å; E993-S997 PolarHBondContact O-OG 3.46Å
994H95.1Very high94.3Very high75 Ų7565.6 Ų65.635%0.34735%0.354SS..Hα-helixtrans-72.3-43.9179.1-55.7168.1000110.9L990 K991 E992 M996 A998 M999L990-H994 HydrophobicContact CD2-CB 3.66Å; K991-H994 PolarHBondContact O-N 3.4Å; E992-H994 VanDerWaalsContact C-N 3.34Å; E992-H994 PolarHBondContact O-N 3.18Å; H994-M996 VanDerWaalsContact C-N 3.32Å; H994-M996 PolarHBondContact O-N 3.15Å; H994-A998 WeakPolarHBondContact O-CB 3.46Å; H994-A998 PolarHBondContact O-N 2.87Å; H994-M999 PolarHBondContact O-N 3.25Å
995L95.5Very high94.2Very high0 Ų067 Ų670%036%0.363CS..Hα-helixtrans-59.2-43.7177.4-58.7-169.9000111.4F977 L990 K991 E992 M999 N1000 I1001 A1006 I1009 C1010F977-L995 HydrophobicContact CE1-CD2 4.5Å; F977-L995 HydrophobicContact CE2-CD2 4.42Å; F977-L995 HydrophobicContact CZ-CD2 3.7Å; L990-L995 HydrophobicContact CB-CD2 4.34Å; L990-L995 HydrophobicContact CD1-CD2 3.97Å; K991-L995 WeakPolarHBondContact O-CG 3.39Å; K991-L995 PolarHBondContact O-N 2.98Å; K991-L995 VanDerWaalsContact O-N 3.11Å; E992-L995 PolarHBondContact O-N 3.22Å; L995-M999 HydrophobicContact CD2-CE 3.49Å; L995-M999 VanDerWaalsContact CD2-CE 3.49Å; L995-M999 CarbonylContact O-C 3.58Å; L995-M999 WeakPolarHBondContact O-CB 3.46Å; L995-N1000 PolarHBondContact O-N 3.42Å; L995-I1001 HydrophobicContact CB-CB 4.43Å; L995-I1001 HydrophobicContact CB-CD1 4.11Å; L995-I1001 HydrophobicContact CD2-CD1 4.18Å; L995-I1001 VanDerWaalsContact O-CB 3.25Å; L995-I1001 WeakPolarHBondContact O-CB 3.08Å; L995-I1001 PolarHBondContact O-N 3Å; L995-A1006 HydrophobicContact CB-CB 3.79Å; L995-A1006 HydrophobicContact CD1-CB 3.95Å; L995-A1006 WeakPolarHBondContact CD1-O 3.45Å; L995-I1009 HydrophobicContact CD1-CB 3.87Å; L995-I1009 HydrophobicContact CD1-CG2 3.9Å; L995-C1010 WeakPolarHBondContact CD1-SG 3.45Å
996M95.2Very high94.3Very high76 Ų7661.4 Ų61.437%0.37434%0.337SS..Hα-helixtrans-79.6-35.4-175.8-69.5-173.76000114E992 H994 N1000 I1001 L1003 A1006E992-M996 HydrophobicContact CG-SD 4.08Å; E992-M996 WeakPolarHBondContact O-CB 3.48Å; E992-M996 WeakPolarHBondContact O-CG 3.48Å; E992-M996 PolarHBondContact O-N 3.5Å; H994-M996 VanDerWaalsContact C-N 3.32Å; H994-M996 PolarHBondContact O-N 3.15Å; M996-N1000 WeakPolarHBondContact O-CA 3.44Å; M996-I1001 WeakPolarHBondContact CG-O 3.43Å; M996-L1003 HydrophobicContact CE-CB 3.94Å; M996-L1003 HydrophobicContact CE-CD1 4.21Å; M996-L1003 HydrophobicContact SD-CB 4.01Å; M996-L1003 HydrophobicContact SD-CD1 3.49Å; M996-L1003 WeakPolarHBondContact SD-CD1 3.43Å; M996-L1003 HydrophobicContact SD-CG 4.35Å; M996-A1006 HydrophobicContact CG-CB 3.91Å
997S91.8Very high94.2Very high96 Ų9663.6 Ų63.667%0.67134%0.344SS*.Hα-helixtrans-95.3-45.4-174.364.50000114.2E993E993-S997 WeakPolarHBondContact O-CB 3.36Å; E993-S997 PolarHBondContact O-N 3.43Å; E993-S997 PolarHBondContact O-OG 3.46Å
998A88.3Confident94.2Very high67 Ų6767.9 Ų67.955%0.55436%0.362SS*.THydrogen-bonded Turntrans-86.2-33.9-177.100000112.5Q980 H994Q980-A998 PolarHBondContact NE2-O 3.34Å; H994-A998 WeakPolarHBondContact O-CB 3.46Å; H994-A998 PolarHBondContact O-N 2.87Å
999M91.9Very high94.2Very high9 Ų966.6 Ų66.64%0.04436%0.356CS..SBendtrans-102.51.6179.6-53.5-145.4-105.700113.6E976 F977 I982 L990 H994 L995 I1001E976-M999 HydrophobicContact CG-CB 3.97Å; E976-M999 HydrophobicContact CG-CG 4.39Å; E976-M999 HydrophobicContact CG-SD 4.1Å; F977-M999 HydrophobicContact CD1-CE 4.16Å; F977-M999 HydrophobicContact CD2-CE 4Å; F977-M999 HydrophobicContact CD2-SD 4.07Å; F977-M999 HydrophobicContact CE1-CE 3.76Å; F977-M999 HydrophobicContact CE2-CE 3.58Å; F977-M999 HydrophobicContact CE2-SD 4.12Å; F977-M999 HydrophobicContact CG-CE 4.27Å; F977-M999 HydrophobicContact CG-SD 4.46Å; F977-M999 HydrophobicContact CZ-CE 3.45Å; F977-M999 VanDerWaalsContact CZ-CE 3.45Å; I982-M999 HydrophobicContact CG1-CE 4.42Å; L990-M999 HydrophobicContact CD1-CE 3.58Å; L990-M999 HydrophobicContact CD2-CE 4.21Å; H994-M999 PolarHBondContact O-N 3.25Å; L995-M999 HydrophobicContact CD2-CE 3.49Å; L995-M999 VanDerWaalsContact CD2-CE 3.49Å; L995-M999 CarbonylContact O-C 3.58Å; L995-M999 WeakPolarHBondContact O-CB 3.46Å; M999-I1001 HydrophobicContact CB-CD1 3.56Å; M999-I1001 HydrophobicContact CB-CG1 3.69Å; M999-I1001 HydrophobicContact CE-CD1 4.26Å; M999-I1001 HydrophobicContact CG-CD1 4.36Å; M999-I1001 PolarHBondContact O-N 2.7Å; M999-I1001 HydrophobicContact SD-CD1 4.33Å
1000N92.5Very high94.1Very high143 Ų14361.2 Ų61.277%0.76533%0.329SS*.  trans52.224.2-178.5-161.720.4000114.1L995 M996 K1002L995-N1000 PolarHBondContact O-N 3.42Å; M996-N1000 WeakPolarHBondContact O-CA 3.44Å; N1000-K1002 PolarHBondContact O-N 3.4Å
1001I94.3Very high94.1Very high10 Ų1062.9 Ų62.95%0.05135%0.346CS..  trans-75.8127.6-175-59.9164000109I973 F977 L995 M996 M999 L1003 P1005 A1006I973-I1001 HydrophobicContact CD1-CG2 3.89Å; I973-I1001 HydrophobicContact CG2-CD1 3.53Å; I973-I1001 HydrophobicContact CG2-CG1 3.83Å; I973-I1001 HydrophobicContact CG2-CG2 4.4Å; F977-I1001 HydrophobicContact CE2-CD1 3.73Å; F977-I1001 HydrophobicContact CZ-CD1 4.44Å; L995-I1001 HydrophobicContact CB-CB 4.43Å; L995-I1001 HydrophobicContact CB-CD1 4.11Å; L995-I1001 HydrophobicContact CD2-CD1 4.18Å; L995-I1001 VanDerWaalsContact O-CB 3.25Å; L995-I1001 WeakPolarHBondContact O-CB 3.08Å; L995-I1001 PolarHBondContact O-N 3Å; M996-I1001 WeakPolarHBondContact CG-O 3.43Å; M999-I1001 HydrophobicContact CB-CD1 3.56Å; M999-I1001 HydrophobicContact CB-CG1 3.69Å; M999-I1001 HydrophobicContact CE-CD1 4.26Å; M999-I1001 HydrophobicContact CG-CD1 4.36Å; M999-I1001 PolarHBondContact O-N 2.7Å; M999-I1001 HydrophobicContact SD-CD1 4.33Å; I1001-L1003 PolarHBondContact O-N 3.35Å; I1001-P1005 HydrophobicContact CG2-CB 3.85Å; I1001-A1006 HydrophobicContact CG2-CB 4.1Å
1002K95.8Very high94Very high172 Ų17259.7 Ų59.775%0.74833%0.331SS*.  trans-56.5140.7176.5-68.1163.6-174.7159.50111N1000 G1004 P1005 A1006N1000-K1002 PolarHBondContact O-N 3.4Å; K1002-G1004 PolarHBondContact O-N 3.48Å; K1002-P1005 WeakPolarHBondContact O-CD 3.39Å; K1002-A1006 PolarHBondContact O-N 3.04Å
1003L94.1Very high93.9Very high81 Ų8156 Ų5642%0.42431%0.314SS..Hα-helixtrans-44.2-42.1-177.917864.8000114.4E992 M996 I1001 A1006 L1007E992-L1003 WeakPolarHBondContact OE1-CD1 3.41Å; M996-L1003 HydrophobicContact CE-CB 3.94Å; M996-L1003 HydrophobicContact CE-CD1 4.21Å; M996-L1003 HydrophobicContact SD-CB 4.01Å; M996-L1003 HydrophobicContact SD-CD1 3.49Å; M996-L1003 WeakPolarHBondContact SD-CD1 3.43Å; M996-L1003 HydrophobicContact SD-CG 4.35Å; I1001-L1003 PolarHBondContact O-N 3.35Å; L1003-A1006 PolarHBondContact O-N 3.01Å; L1003-L1007 HydrophobicContact CD1-CD1 3.73Å; L1003-L1007 HydrophobicContact CD1-CD2 4.45Å; L1003-L1007 HydrophobicContact CD1-CG 3.82Å; L1003-L1007 HydrophobicContact CG-CD1 3.84Å; L1003-L1007 HydrophobicContact CG-CG 4.32Å; L1003-L1007 WeakPolarHBondContact O-CB 3.47Å; L1003-L1007 VanDerWaalsContact O-CG 3.29Å; L1003-L1007 WeakPolarHBondContact O-CG 3.36Å; L1003-L1007 PolarHBondContact O-N 3.36Å
1004G93.9Very high93.8Very high43 Ų4355.6 Ų55.644%0.44332%0.315SS..Hα-helixtrans-60.6-59.7-179.600000113.6K1002 K1008K1002-G1004 PolarHBondContact O-N 3.48Å; G1004-K1008 WeakPolarHBondContact O-CG 3.45Å; G1004-K1008 PolarHBondContact O-N 3.07Å
1005P94.5Very high93.6Very high31 Ų3152.7 Ų52.720%0.20130%0.303CS..Hα-helixtrans-57.4-39.3169.1-28.834.9000114.8I973 I1001 K1002 K1008 I1009I973-P1005 HydrophobicContact CD1-CB 3.35Å; I973-P1005 HydrophobicContact CD1-CG 3.94Å; I1001-P1005 HydrophobicContact CG2-CB 3.85Å; K1002-P1005 WeakPolarHBondContact O-CD 3.39Å; P1005-K1008 WeakPolarHBondContact O-CB 3.45Å; P1005-K1008 PolarHBondContact O-N 3.33Å; P1005-I1009 WeakPolarHBondContact O-CG1 3.42Å; P1005-I1009 PolarHBondContact O-N 3.14Å
1006A96.1Very high93.3Very high0 Ų052.8 Ų52.80%030%0.303CS..Hα-helixtrans-59.1-52.4178.100000111.9L995 M996 I1001 K1002 L1003 K1008 I1009 C1010L995-A1006 HydrophobicContact CB-CB 3.79Å; L995-A1006 HydrophobicContact CD1-CB 3.95Å; L995-A1006 WeakPolarHBondContact CD1-O 3.45Å; M996-A1006 HydrophobicContact CG-CB 3.91Å; I1001-A1006 HydrophobicContact CG2-CB 4.1Å; K1002-A1006 PolarHBondContact O-N 3.04Å; L1003-A1006 PolarHBondContact O-N 3.01Å; A1006-K1008 VanDerWaalsContact C-N 3.27Å; A1006-K1008 PolarHBondContact O-N 3.2Å; A1006-I1009 PolarHBondContact O-N 3.35Å; A1006-C1010 PolarHBondContact O-N 3.05Å
1007L95.3Very high93Very high78 Ų7854.6 Ų54.641%0.40831%0.309SS..Hα-helixtrans-57.5-38175-74.6170.9000112.7E992 L1003 A1011E992-L1007 HydrophobicContact CG-CD2 4.43Å; E992-L1007 WeakPolarHBondContact OE2-CD2 3.47Å; L1003-L1007 HydrophobicContact CD1-CD1 3.73Å; L1003-L1007 HydrophobicContact CD1-CD2 4.45Å; L1003-L1007 HydrophobicContact CD1-CG 3.82Å; L1003-L1007 HydrophobicContact CG-CD1 3.84Å; L1003-L1007 HydrophobicContact CG-CG 4.32Å; L1003-L1007 WeakPolarHBondContact O-CB 3.47Å; L1003-L1007 VanDerWaalsContact O-CG 3.29Å; L1003-L1007 WeakPolarHBondContact O-CG 3.36Å; L1003-L1007 PolarHBondContact O-N 3.36Å; L1007-A1011 VanDerWaalsContact O-CB 3.26Å; L1007-A1011 WeakPolarHBondContact O-CB 3.47Å; L1007-A1011 PolarHBondContact O-N 2.72Å
1008K94.3Very high92.5Very high89 Ų8957.7 Ų57.739%0.38731%0.313SS..Hα-helixtrans-62.8-44.7174.6-74.6165.962.2-143.50111.3Q968 G969 C970 G1004 P1005 A1006 A1011 K1012Q968-K1008 PolarHBondContact O-NZ 3.18Å; G969-K1008 PolarHBondContact O-NZ 3.46Å; C970-K1008 PolarHBondContact SG-NZ 3.5Å; G1004-K1008 WeakPolarHBondContact O-CG 3.45Å; G1004-K1008 PolarHBondContact O-N 3.07Å; P1005-K1008 WeakPolarHBondContact O-CB 3.45Å; P1005-K1008 PolarHBondContact O-N 3.33Å; A1006-K1008 VanDerWaalsContact C-N 3.27Å; A1006-K1008 PolarHBondContact O-N 3.2Å; K1008-A1011 PolarHBondContact O-N 3.42Å; K1008-K1012 VanDerWaalsContact O-CG 3.32Å; K1008-K1012 WeakPolarHBondContact O-CG 3.5Å; K1008-K1012 PolarHBondContact O-N 3.44Å
1009I94.9Very high91.5Very high0 Ų060.2 Ų60.20%032%0.322CS..Hα-helixtrans-67.9-47.6-179.5-67.3163.8000110.2I964 L967 I973 F977 L995 P1005 A1006 A1011 K1012 I1013I964-I1009 HydrophobicContact CD1-CD1 4.4Å; I964-I1009 HydrophobicContact CD1-CG1 4.18Å; I964-I1009 HydrophobicContact CD1-CG2 3.7Å; I964-I1009 HydrophobicContact CG2-CD1 4.4Å; L967-I1009 HydrophobicContact CD1-CG1 4.14Å; I973-I1009 HydrophobicContact CG2-CD1 4.02Å; F977-I1009 HydrophobicContact CE2-CD1 4.11Å; F977-I1009 HydrophobicContact CZ-CD1 4.25Å; F977-I1009 HydrophobicContact CZ-CG2 3.96Å; L995-I1009 HydrophobicContact CD1-CB 3.87Å; L995-I1009 HydrophobicContact CD1-CG2 3.9Å; P1005-I1009 WeakPolarHBondContact O-CG1 3.42Å; P1005-I1009 PolarHBondContact O-N 3.14Å; A1006-I1009 PolarHBondContact O-N 3.35Å; I1009-A1011 VanDerWaalsContact C-N 3.3Å; I1009-A1011 PolarHBondContact O-N 3.13Å; I1009-K1012 WeakPolarHBondContact O-CA 3.38Å; I1009-K1012 WeakPolarHBondContact O-CB 3.48Å; I1009-K1012 PolarHBondContact O-N 3.48Å; I1009-I1013 HydrophobicContact CG2-CD1 3.66Å; I1009-I1013 HydrophobicContact CG2-CG1 4.24Å; I1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; I1009-I1013 PolarHBondContact O-N 3.04Å
1010C94.6Very high91.5Very high15 Ų1562.8 Ų62.810%0.10134%0.335CS..Hα-helixtrans-55.8-41.5173.9-69.70000112.8E992 L995 A1006 K1012 I1013 N1014E992-C1010 PolarHBondContact N-SG 2.98Å; L995-C1010 WeakPolarHBondContact CD1-SG 3.45Å; A1006-C1010 PolarHBondContact O-N 3.05Å; C1010-K1012 PolarHBondContact O-N 3.17Å; C1010-I1013 PolarHBondContact O-N 3.33Å; C1010-N1014 WeakPolarHBondContact O-CB 3.38Å; C1010-N1014 VanDerWaalsContact O-CG 3.31Å; C1010-N1014 PolarHBondContact O-N 3.39Å; C1010-N1014 PolarHBondContact O-ND2 2.89Å
1011A94.1Very high91.4Very high56 Ų5658.5 Ų58.546%0.46331%0.313SS..Hα-helixtrans-65.2-18.1175.800000113.8L1007 K1008 I1009 V1015L1007-A1011 VanDerWaalsContact O-CB 3.26Å; L1007-A1011 WeakPolarHBondContact O-CB 3.47Å; L1007-A1011 PolarHBondContact O-N 2.72Å; K1008-A1011 PolarHBondContact O-N 3.42Å; I1009-A1011 VanDerWaalsContact C-N 3.3Å; I1009-A1011 PolarHBondContact O-N 3.13Å; A1011-V1015 WeakPolarHBondContact O-CG2 3.48Å
1012K92.4Very high91.3Very high38 Ų3861.2 Ų61.217%0.16533%0.327CS..Hα-helixtrans-92.9-39.2173.4-60.7-62.5-168.9128.70112.4G942 I943 F963 L967 K1008 I1009 C1010 N1014 V1015 L1016G942-K1012 PolarHBondContact O-NZ 2.82Å; I943-K1012 HydrophobicContact CD1-CD 4Å; I943-K1012 HydrophobicContact CG1-CD 3.77Å; F963-K1012 HydrophobicContact CZ-CB 3.78Å; L967-K1012 HydrophobicContact CD1-CB 4.22Å; L967-K1012 HydrophobicContact CD1-CG 3.89Å; L967-K1012 HydrophobicContact CD2-CD 4.2Å; L967-K1012 HydrophobicContact CD2-CG 3.82Å; K1008-K1012 VanDerWaalsContact O-CG 3.32Å; K1008-K1012 WeakPolarHBondContact O-CG 3.5Å; K1008-K1012 PolarHBondContact O-N 3.44Å; I1009-K1012 WeakPolarHBondContact O-CA 3.38Å; I1009-K1012 WeakPolarHBondContact O-CB 3.48Å; I1009-K1012 PolarHBondContact O-N 3.48Å; C1010-K1012 PolarHBondContact O-N 3.17Å; K1012-N1014 VanDerWaalsContact C-N 3.27Å; K1012-N1014 PolarHBondContact O-N 3.1Å; K1012-V1015 WeakPolarHBondContact O-CB 3.46Å; K1012-V1015 PolarHBondContact O-N 3.02Å; K1012-V1015 VanDerWaalsContact O-N 3.12Å; K1012-L1016 PolarHBondContact O-N 3.49Å
1013I93.8Very high91Very high1 Ų154.7 Ų54.71%0.00530%0.303CS..Hα-helixtrans-57-43.3171.5-67.3165.9000110.1L987 L990 I1009 C1010 V1015 L1016 K1017L987-I1013 HydrophobicContact CD1-CD1 3.73Å; L987-I1013 HydrophobicContact CD1-CG1 3.78Å; L987-I1013 HydrophobicContact CG-CD1 4.43Å; L987-I1013 HydrophobicContact CG-CG1 4.11Å; L987-I1013 WeakPolarHBondContact O-CG2 3.31Å; L990-I1013 HydrophobicContact CB-CD1 4.17Å; I1009-I1013 HydrophobicContact CG2-CD1 3.66Å; I1009-I1013 HydrophobicContact CG2-CG1 4.24Å; I1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; I1009-I1013 PolarHBondContact O-N 3.04Å; C1010-I1013 PolarHBondContact O-N 3.33Å; I1013-V1015 VanDerWaalsContact C-N 3.32Å; I1013-V1015 PolarHBondContact O-N 3.25Å; I1013-L1016 CarbonylContact O-C 3.57Å; I1013-L1016 PolarHBondContact O-N 3.45Å; I1013-L1016 VanDerWaalsContact O-N 3.17Å; I1013-K1017 HydrophobicContact CG2-CD 3.75Å; I1013-K1017 VanDerWaalsContact O-CG 3.28Å; I1013-K1017 WeakPolarHBondContact O-CG 3.45Å; I1013-K1017 PolarHBondContact O-N 3.12Å; I1013-K1017 VanDerWaalsContact O-N 3.07Å
1014N92.1Very high90.8Very high88 Ų8853.1 Ų53.147%0.47130%0.295SS..Hα-helixtrans-62-37.2176.5-71.5-21000112.8C1010 K1012 K1017 E1018C1010-N1014 WeakPolarHBondContact O-CB 3.38Å; C1010-N1014 VanDerWaalsContact O-CG 3.31Å; C1010-N1014 PolarHBondContact O-N 3.39Å; C1010-N1014 PolarHBondContact O-ND2 2.89Å; K1012-N1014 VanDerWaalsContact C-N 3.27Å; K1012-N1014 PolarHBondContact O-N 3.1Å; N1014-K1017 PolarHBondContact O-N 3.43Å; N1014-K1017 VanDerWaalsContact O-N 3.16Å; N1014-E1018 PolarHBondContact O-N 3.04Å
1015V90.4Very high90.6Very high14 Ų1453.7 Ų53.79%0.08529%0.285CS..Hα-helixtrans-65.3-42.1174170.60000111.1H941 I943 A1011 K1012 I1013 K1017 E1018 T1019H941-V1015 HydrophobicContact CB-CG1 4.34Å; H941-V1015 VanDerWaalsContact CD2-CG2 3.5Å; H941-V1015 WeakPolarHBondContact CD2-CG2 3.28Å; H941-V1015 WeakPolarHBondContact ND1-CG1 3.41Å; H941-V1015 WeakPolarHBondContact NE2-CG2 3.44Å; I943-V1015 HydrophobicContact CD1-CB 4.37Å; I943-V1015 HydrophobicContact CD1-CG1 3.91Å; A1011-V1015 WeakPolarHBondContact O-CG2 3.48Å; K1012-V1015 WeakPolarHBondContact O-CB 3.46Å; K1012-V1015 PolarHBondContact O-N 3.02Å; K1012-V1015 VanDerWaalsContact O-N 3.12Å; I1013-V1015 VanDerWaalsContact C-N 3.32Å; I1013-V1015 PolarHBondContact O-N 3.25Å; V1015-K1017 PolarHBondContact O-N 3.16Å; V1015-E1018 PolarHBondContact O-N 3.42Å; V1015-E1018 VanDerWaalsContact O-N 3.08Å; V1015-T1019 PolarHBondContact O-N 3.33Å; V1015-T1019 PolarHBondContact O-OG1 3.46Å
1016L89.6Confident90.3Very high2 Ų255.4 Ų55.41%0.0129%0.291CS..Hα-helixtrans-67.1-10.8174.3-65.9176.2000114L948 P952 W955 F963 L987 L988 K1012 I1013 T1019L948-L1016 HydrophobicContact CD2-CD2 4.03Å; P952-L1016 HydrophobicContact CB-CB 4.34Å; P952-L1016 HydrophobicContact CB-CD1 4.47Å; P952-L1016 HydrophobicContact CG-CB 4.26Å; P952-L1016 WeakPolarHBondContact CG-O 3.21Å; W955-L1016 HydrophobicContact CH2-CD1 3.41Å; W955-L1016 VanDerWaalsContact CH2-CD1 3.41Å; W955-L1016 HydrophobicContact CH2-CD2 3.67Å; W955-L1016 HydrophobicContact CH2-CG 4.19Å; W955-L1016 HydrophobicContact CZ2-CD1 4.48Å; W955-L1016 HydrophobicContact CZ2-CD2 4.17Å; W955-L1016 HydrophobicContact CZ3-CD1 3.56Å; F963-L1016 HydrophobicContact CD2-CD1 4.35Å; F963-L1016 HydrophobicContact CE1-CD1 3.9Å; F963-L1016 HydrophobicContact CE2-CD1 3.67Å; F963-L1016 HydrophobicContact CE2-CG 4.32Å; F963-L1016 HydrophobicContact CZ-CD1 3.4Å; F963-L1016 HydrophobicContact CZ-CG 4.24Å; L987-L1016 HydrophobicContact CD2-CD1 4.31Å; L988-L1016 HydrophobicContact CD2-CB 4.09Å; K1012-L1016 PolarHBondContact O-N 3.49Å; I1013-L1016 CarbonylContact O-C 3.57Å; I1013-L1016 PolarHBondContact O-N 3.45Å; I1013-L1016 VanDerWaalsContact O-N 3.17Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.47Å; L1016-T1019 PolarHBondContact O-OG1 3.4Å
1017K88Confident89.9Confident114 Ų11459.6 Ų59.650%0.49631%0.313SS..THydrogen-bonded Turntrans-98.8-6.8174.5-67.7165.871.7162.50112.6L988 I1013 N1014 V1015L988-K1017 HydrophobicContact CB-CD 4.49Å; L988-K1017 HydrophobicContact CB-CG 4.44Å; L988-K1017 HydrophobicContact CD2-CD 4.2Å; L988-K1017 HydrophobicContact CD2-CG 3.49Å; L988-K1017 VanDerWaalsContact CD2-CG 3.49Å; L988-K1017 WeakPolarHBondContact O-CD 3.5Å; L988-K1017 WeakPolarHBondContact O-CE 3.31Å; L988-K1017 PolarHBondContact O-NZ 3.08Å; I1013-K1017 HydrophobicContact CG2-CD 3.75Å; I1013-K1017 VanDerWaalsContact O-CG 3.28Å; I1013-K1017 WeakPolarHBondContact O-CG 3.45Å; I1013-K1017 PolarHBondContact O-N 3.12Å; I1013-K1017 VanDerWaalsContact O-N 3.07Å; N1014-K1017 PolarHBondContact O-N 3.43Å; N1014-K1017 VanDerWaalsContact O-N 3.16Å; V1015-K1017 PolarHBondContact O-N 3.16Å
1018E81.3Confident89.4Confident160 Ų16058.1 Ų58.175%0.74831%0.306SS*.  trans-102.5-1.2173.1-69.8178178.500112.2N1014 V1015N1014-E1018 PolarHBondContact O-N 3.04Å; V1015-E1018 PolarHBondContact O-N 3.42Å; V1015-E1018 VanDerWaalsContact O-N 3.08Å
1019T67.9Low89Confident120 Ų12055.3 Ų55.374%0.73630%0.298SS*.  trans-112.80176.155.70000111.9V1015 L1016V1015-T1019 PolarHBondContact O-N 3.33Å; V1015-T1019 PolarHBondContact O-OG1 3.46Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.47Å; L1016-T1019 PolarHBondContact O-OG1 3.4Å

Retrieved 1,019 of 1,019 residues in 1610.3 ms (Link to these results)