A0A087YS39_POEFO Loading...

Family with sequence similarity 181 member B

AlphaFold DB , UniProt , Accession A0A087YS39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 318 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
1M46.9Very low54.2Low245 Ų245138.3 Ų138.3100%1.20778%0.781SS**  0116.30-73.3-176.8171.300107.1
2A46.6Very low54.3Low106 Ų106139.7 Ų139.788%0.87677%0.773SS**  trans-87.1126-179.200000109.1Q4A2-Q4 PolarHBondContact O-N 3.39Å
3V49.1Very low54.5Low140 Ų140136.7 Ų136.785%0.84875%0.751SS**  trans-81.9115.1178.4-160.50000107.4T5V3-T5 PolarHBondContact O-N 3.41Å
4Q47.6Very low54.6Low192 Ų192134.5 Ų134.590%0.89775%0.751SS**  trans-74.5108.8-178.7-159.2160.959.400108.2A2A2-Q4 PolarHBondContact O-N 3.39Å
5T57.9Low54.6Low119 Ų119138.5 Ų138.573%0.7376%0.758SS**  trans-74.4123.6172.3460000108.8V3 I7V3-T5 PolarHBondContact O-N 3.41Å; T5-I7 PolarHBondContact O-N 3.49Å; T5-I7 VanDerWaalsContact O-N 3.16Å
6A55.9Low54.6Low93 Ų93135.4 Ų135.477%0.76975%0.747SS**  trans-69.6109.4174.800000109M8A6-M8 PolarHBondContact O-N 3.29Å; A6-M8 VanDerWaalsContact O-N 3.1Å
7I59.6Low54.1Low162 Ų162136.9 Ų136.983%0.83175%0.745SS**  trans-74.397.2171.4-60.7171.7000106.6T5T5-I7 PolarHBondContact O-N 3.49Å; T5-I7 VanDerWaalsContact O-N 3.16Å
8M62.6Low53.7Low136 Ų136136.3 Ų136.367%0.6775%0.749SS**  trans-76137.6169.4-81.5-17763.800110.3A6 M13A6-M8 PolarHBondContact O-N 3.29Å; A6-M8 VanDerWaalsContact O-N 3.1Å; M8-M13 HydrophobicContact CE-CE 3.8Å
9N53.4Low53Low76 Ų76136.8 Ų136.841%0.40675%0.751SS.*  trans-65.5123.3-177.6-176.3-11.6000110.7Q11 F12N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 VanDerWaalsContact OD1-CG 3.29Å; N9-Q11 WeakPolarHBondContact OD1-CG 3.19Å; N9-Q11 PolarHBondContact OD1-N 2.8Å; N9-F12 HydrophobicContact CB-CD2 4.35Å; N9-F12 PolarHBondContact O-N 3.15Å
10P60.6Low53.1Low98 Ų98135.4 Ų135.464%0.63675%0.751SS**G310 helixtrans-64.5-13.6-175.924.8-33.8000113.9F12 M13P10-F12 PolarHBondContact O-N 3.27Å; P10-M13 PolarHBondContact O-N 3.04Å
11Q56.6Low52.6Low154 Ų154134 Ų13472%0.7275%0.746SS**G310 helixtrans-69.1-15-178.7-62.5179.3-8.100114N9N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 VanDerWaalsContact OD1-CG 3.29Å; N9-Q11 WeakPolarHBondContact OD1-CG 3.19Å; N9-Q11 PolarHBondContact OD1-N 2.8Å
12F55.4Low52.6Low155 Ų155130.7 Ų130.768%0.6873%0.73SS**G310 helixtrans-100.9-7.8178.1-67.8-80.5000114N9 P10N9-F12 HydrophobicContact CB-CD2 4.35Å; N9-F12 PolarHBondContact O-N 3.15Å; P10-F12 PolarHBondContact O-N 3.27Å
13M56.6Low52.4Low101 Ų101134 Ų13450%0.49873%0.727SS.*G310 helixtrans-82.6-15.3-177.9-74.6-67170.400113.7M8 P10 F15M8-M13 HydrophobicContact CE-CE 3.8Å; P10-M13 PolarHBondContact O-N 3.04Å; M13-F15 PolarHBondContact O-N 3.24Å
14S55.5Low52Low106 Ų106137.3 Ų137.374%0.74173%0.726SS**G310 helixtrans-73.4-1.6-179.9-57.10000114.9
15F54.9Low51.5Low195 Ų195135 Ų13586%0.85572%0.72SS**G310 helixtrans-104.5-6.2-179.3-144-93.5000114M13M13-F15 PolarHBondContact O-N 3.24Å
16C53.6Low51.3Low88 Ų88134.1 Ų134.160%0.59571%0.714SS**SBendtrans-114.4-3.8-173.4-69.80000115.4
17F46.8Very low51.1Low161 Ų161137.3 Ų137.371%0.70671%0.713SS**  trans-144.1102.8170.3-59.9-79.5000108.7D19F17-D19 PolarHBondContact O-N 2.85Å
18P47.9Very low50.7Low126 Ų126139.5 Ų139.582%0.81872%0.716SS**  trans-58.7112.7159.1-13.327.6000106.3S20P18-S20 PolarHBondContact O-N 3.3Å
19D40.2Very low49.8Very low147 Ų147138.7 Ų138.779%0.78672%0.724SS**  trans-56.898.4176.2-152.4-0.8000108F17 V21F17-D19 PolarHBondContact O-N 2.85Å; D19-V21 PolarHBondContact O-N 3.14Å
20S53.6Low49.6Very low108 Ų108143 Ų14376%0.75575%0.747SS**  trans-80.871.917569.40000108.4P18P18-S20 PolarHBondContact O-N 3.3Å
21V43.2Very low49Very low107 Ų107146.8 Ų146.865%0.64876%0.761SS**  trans-103.684.1155.9-177.50000105.6D19 E23D19-V21 PolarHBondContact O-N 3.14Å; V21-E23 PolarHBondContact O-N 3.2Å
22M46.9Very low48.7Very low175 Ų175143 Ų14386%0.86276%0.764SS**  trans-70.584.8163.1-67.8-66.3-171.900106.9Y24M22-Y24 PolarHBondContact O-N 2.77Å
23E42.5Very low48.1Very low175 Ų175141.2 Ų141.282%0.81877%0.77SS**  trans-65122.2161.5-171.3170.7177.600107.5V21 D25V21-E23 PolarHBondContact O-N 3.2Å; E23-D25 PolarHBondContact O-N 2.85Å
24Y40.8Very low47.7Very low209 Ų209143.9 Ų143.982%0.8279%0.786SS**  trans-79.383.9-174-147.3-100000108.8M22 V26M22-Y24 PolarHBondContact O-N 2.77Å; Y24-V26 VanDerWaalsContact C-N 3.31Å; Y24-V26 HydrophobicContact CD1-CB 4.33Å; Y24-V26 HydrophobicContact CD1-CG2 3.59Å; Y24-V26 HydrophobicContact CE1-CB 4.47Å; Y24-V26 HydrophobicContact CE1-CG2 3.35Å; Y24-V26 PolarHBondContact O-N 3.15Å
25D37.8Very low47.4Very low145 Ų145147 Ų14778%0.77579%0.793SS**  trans-8580.3166.4-158.912.5000108.9E23 E27E23-D25 PolarHBondContact O-N 2.85Å; D25-E27 PolarHBondContact O-N 3.29Å; D25-E27 VanDerWaalsContact O-N 3.1Å
26V52.4Low46.9Very low99 Ų99142.2 Ų142.260%0.678%0.783SS**  trans-70.692.8156.81580000105.9Y24Y24-V26 VanDerWaalsContact C-N 3.31Å; Y24-V26 HydrophobicContact CD1-CB 4.33Å; Y24-V26 HydrophobicContact CD1-CG2 3.59Å; Y24-V26 HydrophobicContact CE1-CB 4.47Å; Y24-V26 HydrophobicContact CE1-CG2 3.35Å; Y24-V26 PolarHBondContact O-N 3.15Å
27E52.8Low46.5Very low160 Ų160143.7 Ų143.775%0.74878%0.781SS**SBendtrans167.3139.9134.9-92.1177.4-177.500109D25D25-E27 PolarHBondContact O-N 3.29Å; D25-E27 VanDerWaalsContact O-N 3.1Å
28K50.8Low46.7Very low208 Ų208140.1 Ų140.190%0.90478%0.781SS**SBendtrans90.368.9154.5-142.8177.3-171-167.40117.9
29S44.2Very low47Very low120 Ų120141.9 Ų141.984%0.83978%0.779SS**  trans-170.266.8137.9-179.10000111.1
30L48.5Very low47.9Very low167 Ų167138.4 Ų138.487%0.87476%0.76SS**  trans-127.538.2174.8-147104.3000112.8
31D48.1Very low48.5Very low176 Ų176137.4 Ų137.494%0.94175%0.746SS**SBendtrans-121.517.4-179-76.3-40.5000114
32G49.6Very low49.9Very low76 Ų76139 Ų13978%0.78475%0.747SS**SBendtrans-133.64.6-167.600000118.5
33S43.1Very low51.6Low116 Ų116135 Ų13581%0.81173%0.729SS**  trans-145.548-175.4-166.90000112.9
34L49.6Very low53.8Low158 Ų158133.3 Ų133.383%0.82772%0.719SS**  trans-120.753.8176.5-144.4176.2000109.9
35L47.8Very low56.2Low170 Ų170129.5 Ų129.589%0.8971%0.707SS**SBendtrans-147.337.1173.7-140.7166.1000112.2
36C44.1Very low58.8Low95 Ų95126.4 Ų126.464%0.64269%0.687SS**SBendtrans-152.328.7168.2-158.70000111.7N40C36-N40 PolarHBondContact O-ND2 3.05Å
37E46.3Very low60.8Low120 Ų120126 Ų12656%0.56169%0.685SS**  trans-125.770-177.1-71.1-73.78800108.2N40E37-N40 WeakPolarHBondContact OE1-CB 3.48Å; E37-N40 PolarHBondContact OE1-ND2 2.96Å
38A51.1Low62.8Low85 Ų85121.1 Ų121.170%0.70267%0.666SS**SBendtrans-143-29.7168.200000110.9
39E53.3Low65Low164 Ų164117.6 Ų117.677%0.76665%0.647SS**SBendtrans-86.2-33.9171.4-68.8177.6133.400112D41 E42 D43E39-D41 VanDerWaalsContact C-N 3.33Å; E39-D41 PolarHBondContact O-N 3.22Å; E39-E42 PolarHBondContact O-N 3.27Å; E39-D43 PolarHBondContact O-N 2.72Å
40N59.2Low67.6Low73 Ų73116.4 Ų116.439%0.3963%0.632SS.*Hα-helixtrans-68.4-22.6-179-74.3-68.1000115C36 E37 E42 F44C36-N40 PolarHBondContact O-ND2 3.05Å; E37-N40 WeakPolarHBondContact OE1-CB 3.48Å; E37-N40 PolarHBondContact OE1-ND2 2.96Å; N40-E42 VanDerWaalsContact C-N 3.34Å; N40-F44 WeakPolarHBondContact O-CB 3Å; N40-F44 PolarHBondContact O-N 3.48Å
41D66.6Low69.9Low87 Ų87113.1 Ų113.147%0.46562%0.615SS.*Hα-helixtrans-69-34.4-179.9-104.2-44.7000112.1E39 K45E39-D41 VanDerWaalsContact C-N 3.33Å; E39-D41 PolarHBondContact O-N 3.22Å; D41-K45 WeakPolarHBondContact O-CB 3.43Å; D41-K45 WeakPolarHBondContact O-CD 3.28Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 2.98Å; D41-K45 PolarHBondContact O-N 2.95Å
42E73.4Confident72.3Confident141 Ų141109.4 Ų109.466%0.65959%0.594SS**Hα-helixtrans-77.2-41.3177.6-157.6161.8141.500110.3E39 N40 F44 K45 E46E39-E42 PolarHBondContact O-N 3.27Å; N40-E42 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.16Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 2.75Å; E42-E46 WeakPolarHBondContact O-CB 3.34Å; E42-E46 PolarHBondContact O-N 2.97Å
43D81.9Confident74.6Confident90 Ų90108.9 Ų108.948%0.48158%0.579SS.*Hα-helixtrans-64.5-37.4173.4-70.1-33.7000112.8E39 E46 T47E39-D43 PolarHBondContact O-N 2.72Å; D43-E46 PolarHBondContact O-N 3.41Å; D43-T47 VanDerWaalsContact O-CB 3.26Å; D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 3.45Å; D43-T47 PolarHBondContact O-OG1 2.93Å
44F88.1Confident77.2Confident141 Ų141110.1 Ų110.162%0.61857%0.569SS**Hα-helixtrans-66.5-40.3174.2-179.6-98000111.1N40 E42 T48N40-F44 WeakPolarHBondContact O-CB 3Å; N40-F44 PolarHBondContact O-N 3.48Å; E42-F44 PolarHBondContact O-N 3.16Å; F44-T48 VanDerWaalsContact O-CB 3.3Å; F44-T48 WeakPolarHBondContact O-CB 3.24Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.15Å
45K90.7Very high79.5Confident129 Ų129106.2 Ų106.256%0.56155%0.549SS*.Hα-helixtrans-66.8-39.6173.3-76.1170.9-174.1166.60111.9D41 E42 T48 R49D41-K45 WeakPolarHBondContact O-CB 3.43Å; D41-K45 WeakPolarHBondContact O-CD 3.28Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 2.98Å; D41-K45 PolarHBondContact O-N 2.95Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 2.75Å; K45-T48 PolarHBondContact O-N 3.49Å; K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 VanDerWaalsContact O-CG 3.28Å; K45-R49 WeakPolarHBondContact O-CG 3.37Å; K45-R49 PolarHBondContact O-N 3.15Å
46E93.1Very high81.9Confident79 Ų79103.4 Ų103.437%0.36954%0.535SS..Hα-helixtrans-63.7-49.4174.4-166.2108.9-121.900110.5E42 D43 T48 R49 D50E42-E46 WeakPolarHBondContact O-CB 3.34Å; E42-E46 PolarHBondContact O-N 2.97Å; D43-E46 PolarHBondContact O-N 3.41Å; E46-T48 VanDerWaalsContact C-N 3.28Å; E46-T48 PolarHBondContact O-N 3.07Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.16Å; E46-R49 WeakPolarHBondContact O-CB 3.21Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NH1 3.32Å; E46-R49 PolarHBondContact OE1-NH1 2.8Å; E46-R49 IonicContact OE1-NH2 2.7Å; E46-R49 PolarHBondContact OE1-NH2 3.07Å; E46-R49 IonicContact OE2-NH2 3.33Å; E46-R49 PolarHBondContact OE2-NH2 3.09Å; E46-D50 WeakPolarHBondContact O-CB 3.41Å; E46-D50 PolarHBondContact O-N 3.27Å
47T94.9Very high84.5Confident91 Ų91102.4 Ų102.456%0.55853%0.529SS*.Hα-helixtrans-59-40176.4-57.20000111.7D43 D50 L51D43-T47 VanDerWaalsContact O-CB 3.26Å; D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 3.45Å; D43-T47 PolarHBondContact O-OG1 2.93Å; T47-D50 PolarHBondContact O-N 2.93Å; T47-L51 WeakPolarHBondContact O-CB 3.35Å; T47-L51 PolarHBondContact O-N 3.31Å
48T95.6Very high86.9Confident57 Ų5798.2 Ų98.235%0.3551%0.514SS..Hα-helixtrans-67.8-40.7175.6-580000111.4F44 K45 E46 L51 L52F44-T48 VanDerWaalsContact O-CB 3.3Å; F44-T48 WeakPolarHBondContact O-CB 3.24Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.15Å; K45-T48 PolarHBondContact O-N 3.49Å; E46-T48 VanDerWaalsContact C-N 3.28Å; E46-T48 PolarHBondContact O-N 3.07Å; T48-L51 PolarHBondContact O-N 3.49Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.28Å; T48-L52 WeakPolarHBondContact O-CG 3.28Å; T48-L52 PolarHBondContact O-N 3.15Å
49R96.6Very high89.1Confident134 Ų13496.9 Ų96.951%0.50650%0.5SS..Hα-helixtrans-63.4-43.8174-77.8-172.7-65.5126.1-7.4111.6K45 E46 L52 S53K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 VanDerWaalsContact O-CG 3.28Å; K45-R49 WeakPolarHBondContact O-CG 3.37Å; K45-R49 PolarHBondContact O-N 3.15Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.16Å; E46-R49 WeakPolarHBondContact O-CB 3.21Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NH1 3.32Å; E46-R49 PolarHBondContact OE1-NH1 2.8Å; E46-R49 IonicContact OE1-NH2 2.7Å; E46-R49 PolarHBondContact OE1-NH2 3.07Å; E46-R49 IonicContact OE2-NH2 3.33Å; E46-R49 PolarHBondContact OE2-NH2 3.09Å; R49-L52 PolarHBondContact O-N 3.05Å; R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.03Å
50D97.3Very high91.2Very high95 Ų9592 Ų9251%0.50848%0.484SS..Hα-helixtrans-64.2-41.4178.3-75.5-11000111.3E46 T47 S53 F54E46-D50 WeakPolarHBondContact O-CB 3.41Å; E46-D50 PolarHBondContact O-N 3.27Å; T47-D50 PolarHBondContact O-N 2.93Å; D50-S53 PolarHBondContact O-N 2.95Å; D50-F54 VanDerWaalsContact O-CB 3.28Å; D50-F54 WeakPolarHBondContact O-CB 3.39Å; D50-F54 PolarHBondContact O-N 3.33Å
51L97.8Very high93Very high99 Ų9993.9 Ų93.952%0.51849%0.494SS..Hα-helixtrans-62.3-46.8174.5178.360000111.6T47 T48 S53 F54 I55T47-L51 WeakPolarHBondContact O-CB 3.35Å; T47-L51 PolarHBondContact O-N 3.31Å; T48-L51 PolarHBondContact O-N 3.49Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-F54 PolarHBondContact O-N 3.17Å; L51-I55 HydrophobicContact CD1-CD1 4.07Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 WeakPolarHBondContact O-CB 3.43Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.12Å
52L97.8Very high94.4Very high98 Ų9894.4 Ų94.451%0.51350%0.496SS..Hα-helixtrans-63.4-42.2177.3-71.1168.5000111.4T48 R49 F54 I55 D56T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.28Å; T48-L52 WeakPolarHBondContact O-CG 3.28Å; T48-L52 PolarHBondContact O-N 3.15Å; R49-L52 PolarHBondContact O-N 3.05Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.14Å; L52-I55 PolarHBondContact O-N 3.17Å; L52-D56 WeakPolarHBondContact O-CB 3.36Å; L52-D56 PolarHBondContact O-N 3.31Å
53S97.9Very high95.4Very high65 Ų6594.1 Ų94.146%0.45549%0.492SS..Hα-helixtrans-62.6-40.7175.4-173.20000112.3R49 D50 L51 D56 S57R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.03Å; D50-S53 PolarHBondContact O-N 2.95Å; L51-S53 VanDerWaalsContact C-N 3.35Å; S53-D56 PolarHBondContact O-N 3.14Å; S53-S57 VanDerWaalsContact O-CB 3.27Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 2.88Å; S53-S57 PolarHBondContact O-OG 2.97Å
54F98.2Very high95.9Very high141 Ų14195.6 Ų95.662%0.61850%0.5SS*.Hα-helixtrans-63.4-45.4173.9173.7-101000111.1D50 L51 L52 D56 S57 A58D50-F54 VanDerWaalsContact O-CB 3.28Å; D50-F54 WeakPolarHBondContact O-CB 3.39Å; D50-F54 PolarHBondContact O-N 3.33Å; L51-F54 PolarHBondContact O-N 3.17Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.14Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.28Å; F54-S57 PolarHBondContact O-N 3.08Å; F54-A58 HydrophobicContact CZ-CB 4.47Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.26Å
55I98.1Very high96.1Very high76 Ų7692.7 Ų92.739%0.3950%0.502SS..Hα-helixtrans-60-45.6176.5-70.4164.8000110.3L51 L52 S57 S59L51-I55 HydrophobicContact CD1-CD1 4.07Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 WeakPolarHBondContact O-CB 3.43Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.12Å; L52-I55 PolarHBondContact O-N 3.17Å; I55-S57 PolarHBondContact O-N 3.45Å; I55-S59 WeakPolarHBondContact O-CB 3.08Å; I55-S59 PolarHBondContact O-N 3.21Å; I55-S59 PolarHBondContact O-OG 3.01Å
56D98Very high96.2Very high112 Ų11293.1 Ų93.160%0.59951%0.51SS*.Hα-helixtrans-62.9-43.7178.4-75.3-25.2000111.6L52 S53 F54 S59 S60L52-D56 WeakPolarHBondContact O-CB 3.36Å; L52-D56 PolarHBondContact O-N 3.31Å; S53-D56 PolarHBondContact O-N 3.14Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.28Å; D56-S59 PolarHBondContact O-N 3.48Å; D56-S60 VanDerWaalsContact O-CB 3.31Å; D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.18Å
57S97.9Very high96.1Very high73 Ų7393.9 Ų93.951%0.5152%0.516SS..Hα-helixtrans-66.7-46.3178.8-62.20000112S53 F54 I55 S60 N61S53-S57 VanDerWaalsContact O-CB 3.27Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 2.88Å; S53-S57 PolarHBondContact O-OG 2.97Å; F54-S57 PolarHBondContact O-N 3.08Å; I55-S57 PolarHBondContact O-N 3.45Å; S57-S60 PolarHBondContact O-N 2.74Å; S57-N61 PolarHBondContact O-N 3.08Å
58A97.8Very high95.4Very high32 Ų3298.5 Ų98.526%0.26453%0.529SS..Hα-helixtrans-63.4-43.9176.600000110.9F54 S60 N61 I62F54-A58 HydrophobicContact CZ-CB 4.47Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.26Å; A58-S60 PolarHBondContact O-N 2.82Å; A58-N61 PolarHBondContact O-N 2.9Å; A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 3.3Å
59S97.6Very high94.6Very high58 Ų58101.4 Ų101.441%0.40655%0.548SS..Hα-helixtrans-63.6-40.7177.5-62.90000112I55 D56 K63I55-S59 WeakPolarHBondContact O-CB 3.08Å; I55-S59 PolarHBondContact O-N 3.21Å; I55-S59 PolarHBondContact O-OG 3.01Å; D56-S59 PolarHBondContact O-N 3.48Å; S59-K63 WeakPolarHBondContact O-CB 3.32Å; S59-K63 PolarHBondContact O-N 2.87Å
60S97.3Very high93.7Very high62 Ų62101.5 Ų101.543%0.43456%0.564SS.*Hα-helixtrans-61.5-43.2173.7-174.50000111.6D56 S57 A58 K63 L64D56-S60 VanDerWaalsContact O-CB 3.31Å; D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.18Å; S57-S60 PolarHBondContact O-N 2.74Å; A58-S60 PolarHBondContact O-N 2.82Å; S60-K63 WeakPolarHBondContact O-CB 3.49Å; S60-K63 PolarHBondContact O-N 2.85Å; S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 3.43Å
61N96.4Very high92.6Very high111 Ų111105.9 Ų105.959%0.59458%0.578SS**Hα-helixtrans-66.2-47179-160.7-48.1000112.2S57 A58 K63 L64 A65S57-N61 PolarHBondContact O-N 3.08Å; A58-N61 PolarHBondContact O-N 2.9Å; N61-K63 VanDerWaalsContact C-N 3.29Å; N61-K63 PolarHBondContact O-N 3.19Å; N61-L64 PolarHBondContact O-N 3.3Å; N61-L64 VanDerWaalsContact O-N 3.15Å; N61-A65 PolarHBondContact O-N 2.84Å
62I95.7Very high91.3Very high98 Ų98106.2 Ų106.250%0.50359%0.589SS.*Hα-helixtrans-58.8-44174.3-67.2166.2000110.1A58 L64 A65 L66A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 3.3Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.77Å; I62-A65 PolarHBondContact O-N 3.36Å; I62-A65 VanDerWaalsContact O-N 3.16Å; I62-L66 HydrophobicContact CG2-CD1 3.62Å; I62-L66 HydrophobicContact CG2-CG 4.08Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.1Å
63K94.7Very high90.1Very high135 Ų135111.3 Ų111.359%0.58761%0.607SS**Hα-helixtrans-58.9-43176.2-174.1-177.6-60.3173.70111.8S59 S60 N61 L66 D67S59-K63 WeakPolarHBondContact O-CB 3.32Å; S59-K63 PolarHBondContact O-N 2.87Å; S60-K63 WeakPolarHBondContact O-CB 3.49Å; S60-K63 PolarHBondContact O-N 2.85Å; N61-K63 VanDerWaalsContact C-N 3.29Å; N61-K63 PolarHBondContact O-N 3.19Å; K63-L66 PolarHBondContact O-N 3.21Å; K63-D67 WeakPolarHBondContact O-CA 3.47Å; K63-D67 WeakPolarHBondContact O-CB 3.46Å; K63-D67 PolarHBondContact O-N 3.05Å
64L92.6Very high89.4Confident122 Ų122119.3 Ų119.364%0.63963%0.627SS**Hα-helixtrans-67.2-34176.1-71.2173.2000113.3S60 N61 I62S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 3.43Å; N61-L64 PolarHBondContact O-N 3.3Å; N61-L64 VanDerWaalsContact O-N 3.15Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.77Å
65A91.9Very high88.8Confident80 Ų80121.2 Ų121.266%0.66164%0.635SS**Hα-helixtrans-74.5-35.5178.300000112.4N61 I62N61-A65 PolarHBondContact O-N 2.84Å; I62-A65 PolarHBondContact O-N 3.36Å; I62-A65 VanDerWaalsContact O-N 3.16Å
66L92.4Very high88.3Confident138 Ų138121.9 Ų121.972%0.72364%0.643SS**Hα-helixtrans-85.4-25.8177.5-64.5-178.8000112.7I62 K63 K68I62-L66 HydrophobicContact CG2-CD1 3.62Å; I62-L66 HydrophobicContact CG2-CG 4.08Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.1Å; K63-L66 PolarHBondContact O-N 3.21Å; L66-K68 PolarHBondContact O-N 2.96Å
67D90.6Very high88Confident95 Ų95121 Ų12151%0.50864%0.638SS.*SBendtrans-59.3123.8172.3-99.4-12.7000108.2K63 P69K63-D67 WeakPolarHBondContact O-CA 3.47Å; K63-D67 WeakPolarHBondContact O-CB 3.46Å; K63-D67 PolarHBondContact O-N 3.05Å; D67-P69 WeakPolarHBondContact O-CD 3.19Å
68K80.6Confident87.9Confident188 Ų188123.2 Ų123.282%0.81764%0.64SS**PPolyproline II helixtrans-52120174.9-69.9175.2179.3174.50106.3L66 V70L66-K68 PolarHBondContact O-N 2.96Å; K68-V70 PolarHBondContact O-N 2.98Å
69P78.7Confident87.7Confident118 Ų118130.6 Ų130.677%0.76666%0.661SS**PPolyproline II helixtrans-52126.6-176.219.3-31.8000107D67 K71D67-P69 WeakPolarHBondContact O-CD 3.19Å; P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.09Å
70V79.1Confident87.6Confident136 Ų136135 Ų13582%0.82467%0.672SS**SBendtrans-53.1101.9-178.7177.80000106.4K68 S72K68-V70 PolarHBondContact O-N 2.98Å; V70-S72 PolarHBondContact O-N 3.26Å
71K73.5Confident87.5Confident186 Ų186137.8 Ų137.881%0.80967%0.674SS**  trans-0.2110.1-179.827.8179.5168.7-177.10112.2P69 K73P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.09Å; K71-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact O-N 3.15Å
72S71.1Confident87.4Confident107 Ų107137.3 Ų137.375%0.74867%0.671SS**  trans-35.3121.2-17474.70000111V70 R74V70-S72 PolarHBondContact O-N 3.26Å; S72-R74 PolarHBondContact O-N 3.18Å
73K72.3Confident87.4Confident205 Ų205138 Ų13889%0.89167%0.672SS**SBendtrans-46.2135.2179.1-74.7-128.3-178.1179.90109.5K71 K75K71-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact O-N 3.15Å; K73-K75 PolarHBondContact O-N 2.88Å
74R83.4Confident87.3Confident233 Ų233137 Ų13788%0.87967%0.668SS**SBendtrans-16.2116.7-175-176.8-174.8-70.8158.7-3.2112.9S72 V76S72-R74 PolarHBondContact O-N 3.18Å; R74-V76 PolarHBondContact O-N 3.32Å
75K84.3Confident87.4Confident181 Ų181134.2 Ų134.279%0.78765%0.652SS**  trans-45.3113.5176-175.6162.4179169.10110.1K73K73-K75 PolarHBondContact O-N 2.88Å
76V87.6Confident87.4Confident90 Ų90135.3 Ų135.355%0.54565%0.645SS.*  trans-68.4139.6176.4-66.70000108.9R74 H78R74-V76 PolarHBondContact O-N 3.32Å; V76-H78 PolarHBondContact O-N 3.27Å
77N91.9Very high87.4Confident93 Ų93137 Ų13750%0.49765%0.647SS.*  trans-79.8108.3173.6-177.8-77.3000108.5R79 K80 Y81N77-R79 PolarHBondContact O-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CB 3.32Å; N77-R79 PolarHBondContact OD1-N 3.29Å; N77-K80 HydrophobicContact CB-CB 4.12Å; N77-K80 HydrophobicContact CB-CD 4.38Å; N77-K80 HydrophobicContact CB-CG 4.21Å; N77-K80 PolarHBondContact O-N 3.19Å; N77-K80 PolarHBondContact OD1-N 2.96Å; N77-Y81 PolarHBondContact O-N 3.49Å
78H95.4Very high87.2Confident120 Ų120139.7 Ų139.756%0.55665%0.65SS**Hα-helixtrans-56.7-36.1-175.6-58.1-70.4000113V76 Y81 L82V76-H78 PolarHBondContact O-N 3.27Å; H78-Y81 PolarHBondContact O-N 3.21Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 WeakPolarHBondContact O-CG 3.39Å; H78-L82 PolarHBondContact O-N 2.99Å
79R95Very high87Confident187 Ų187133 Ų13371%0.70663%0.627SS**Hα-helixtrans-62-48.6174.7174-178.5-81.8-117.90.3111.1N77 Y81 Q83N77-R79 PolarHBondContact O-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CB 3.32Å; N77-R79 PolarHBondContact OD1-N 3.29Å; R79-Y81 VanDerWaalsContact C-N 3.34Å; R79-Y81 PolarHBondContact O-N 2.93Å; R79-Q83 WeakPolarHBondContact O-CB 3.19Å; R79-Q83 WeakPolarHBondContact O-CG 3.16Å; R79-Q83 PolarHBondContact O-N 2.87Å
80K94.8Very high86.8Confident149 Ų149131.6 Ų131.665%0.64862%0.616SS**Hα-helixtrans-64.7-37.2176-70.3-170.6176.5-174.10112.2N77 K84N77-K80 HydrophobicContact CB-CB 4.12Å; N77-K80 HydrophobicContact CB-CD 4.38Å; N77-K80 HydrophobicContact CB-CG 4.21Å; N77-K80 PolarHBondContact O-N 3.19Å; N77-K80 PolarHBondContact OD1-N 2.96Å; K80-K84 WeakPolarHBondContact O-CB 3.45Å; K80-K84 PolarHBondContact O-N 3.04Å
81Y95Very high86Confident121 Ų121128.3 Ų128.348%0.47561%0.61SS.*Hα-helixtrans-65.9-50.6177.5178.2-95.6000111.7N77 H78 R79 Q83 K84 Q85N77-Y81 PolarHBondContact O-N 3.49Å; H78-Y81 PolarHBondContact O-N 3.21Å; R79-Y81 VanDerWaalsContact C-N 3.34Å; R79-Y81 PolarHBondContact O-N 2.93Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-Q83 PolarHBondContact O-N 3.03Å; Y81-K84 CarbonylContact O-C 3.54Å; Y81-K84 WeakPolarHBondContact O-CA 3.45Å; Y81-K84 WeakPolarHBondContact O-CB 3.46Å; Y81-K84 PolarHBondContact O-N 3.14Å; Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.6Å; Y81-Q85 HydrophobicContact CE2-CG 4.23Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.4Å; Y81-Q85 PolarHBondContact O-N 2.86Å; Y81-Q85 PolarHBondContact OH-NE2 2.78Å
82L95.4Very high85.4Confident101 Ų101126 Ų12653%0.52960%0.604SS.*Hα-helixtrans-60.8-42.3176.5-73.2173.6000111.5H78 K84 Q85 I86H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 WeakPolarHBondContact O-CG 3.39Å; H78-L82 PolarHBondContact O-N 2.99Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-Q85 PolarHBondContact O-N 3.15Å; L82-I86 WeakPolarHBondContact O-CB 3.28Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.27Å; L82-I86 PolarHBondContact O-N 2.89Å
83Q94.6Very high84.8Confident112 Ų112126.9 Ų126.952%0.52360%0.6SS.*Hα-helixtrans-58.2-40.9172.8-77175.3-7.800112R79 Y81 K87R79-Q83 WeakPolarHBondContact O-CB 3.19Å; R79-Q83 WeakPolarHBondContact O-CG 3.16Å; R79-Q83 PolarHBondContact O-N 2.87Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-Q83 PolarHBondContact O-N 3.03Å; Q83-K87 WeakPolarHBondContact O-CB 3.26Å; Q83-K87 PolarHBondContact O-N 3.4Å
84K93.6Very high83.8Confident116 Ų116122.3 Ų122.350%0.50459%0.589SS.*Hα-helixtrans-67.4-40.9176.6-171.3176.4-177.7-179.10112K80 Y81 L82 R88K80-K84 WeakPolarHBondContact O-CB 3.45Å; K80-K84 PolarHBondContact O-N 3.04Å; Y81-K84 CarbonylContact O-C 3.54Å; Y81-K84 WeakPolarHBondContact O-CA 3.45Å; Y81-K84 WeakPolarHBondContact O-CB 3.46Å; Y81-K84 PolarHBondContact O-N 3.14Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 3.27Å; K84-R88 VanDerWaalsContact CE-NH2 3.31Å; K84-R88 VanDerWaalsContact O-CG 3.32Å; K84-R88 WeakPolarHBondContact O-CG 3.31Å; K84-R88 PolarHBondContact O-N 3.15Å; K84-R88 VanDerWaalsContact O-N 3.08Å
85Q94.5Very high82Confident62 Ų62116.4 Ų116.429%0.2958%0.581SS.*Hα-helixtrans-67-48.6178.3-68.6-58-18.600111.2Y81 L82 K87 R88 C89Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.6Å; Y81-Q85 HydrophobicContact CE2-CG 4.23Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.4Å; Y81-Q85 PolarHBondContact O-N 2.86Å; Y81-Q85 PolarHBondContact OH-NE2 2.78Å; L82-Q85 PolarHBondContact O-N 3.15Å; Q85-K87 PolarHBondContact O-N 3.33Å; Q85-R88 PolarHBondContact O-N 3.44Å; Q85-C89 PolarHBondContact O-N 2.93Å; Q85-C89 PolarHBondContact O-SG 3.5Å
86I92.2Very high80.1Confident103 Ų103111.5 Ų111.553%0.52858%0.582SS.*Hα-helixtrans-61.3-47.7176.1-63.3163.7000109.9L82 R88 C89 T90L82-I86 WeakPolarHBondContact O-CB 3.28Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.27Å; L82-I86 PolarHBondContact O-N 2.89Å; I86-R88 PolarHBondContact O-N 2.97Å; I86-C89 CarbonylContact O-C 3.59Å; I86-C89 PolarHBondContact O-N 3.39Å; I86-T90 WeakPolarHBondContact O-CB 3.33Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 2.9Å
87K91.1Very high77.5Confident174 Ų174114.5 Ų114.576%0.75760%0.595SS**Hα-helixtrans-58.4-32.5178.9-173.9173.2-177.9177.80113Q83 Q85Q83-K87 WeakPolarHBondContact O-CB 3.26Å; Q83-K87 PolarHBondContact O-N 3.4Å; Q85-K87 PolarHBondContact O-N 3.33Å
88R88.3Confident75.3Confident151 Ų151116.2 Ų116.257%0.5761%0.609SS**Hα-helixtrans-72.6-46.2171.8-74.2175.4176.7-165.2-6.2111.5K84 Q85 I86 T90 G91K84-R88 VanDerWaalsContact CE-NH2 3.31Å; K84-R88 VanDerWaalsContact O-CG 3.32Å; K84-R88 WeakPolarHBondContact O-CG 3.31Å; K84-R88 PolarHBondContact O-N 3.15Å; K84-R88 VanDerWaalsContact O-N 3.08Å; Q85-R88 PolarHBondContact O-N 3.44Å; I86-R88 PolarHBondContact O-N 2.97Å; R88-T90 PolarHBondContact O-N 3.34Å; R88-G91 PolarHBondContact O-N 2.89Å
89C74.4Confident72.4Confident49 Ų49114.7 Ų114.733%0.33161%0.611SS.*Hα-helixtrans-68.5-31.8-179.5-64.10000113.7Q85 I86 G91 I92 I93Q85-C89 PolarHBondContact O-N 2.93Å; Q85-C89 PolarHBondContact O-SG 3.5Å; I86-C89 CarbonylContact O-C 3.59Å; I86-C89 PolarHBondContact O-N 3.39Å; C89-G91 PolarHBondContact O-N 3.3Å; C89-I92 WeakPolarHBondContact O-CG1 3.34Å; C89-I92 PolarHBondContact O-N 3.39Å; C89-I92 VanDerWaalsContact O-N 3.09Å; C89-I93 HydrophobicContact CB-CD1 4.06Å; C89-I93 WeakPolarHBondContact O-CG1 3.43Å; C89-I93 PolarHBondContact O-N 2.83Å; C89-I93 VanDerWaalsContact O-N 3.07Å
90T74.6Confident69.5Low88 Ų88114.1 Ų114.154%0.5462%0.617SS.*THydrogen-bonded Turntrans-64.9-25176.9-59.30000112I86 R88I86-T90 WeakPolarHBondContact O-CB 3.33Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 2.9Å; R88-T90 PolarHBondContact O-N 3.34Å
91G62.8Low66.6Low67 Ų67111.5 Ų111.569%0.69162%0.623SS**THydrogen-bonded Turntrans-78.2-16.317400000114.8R88 C89R88-G91 PolarHBondContact O-N 2.89Å; C89-G91 PolarHBondContact O-N 3.3Å
92I62.3Low64.4Low136 Ų136111.3 Ų111.370%0.69764%0.637SS**THydrogen-bonded Turntrans-111.3-19-175.546.5174000113.8C89C89-I92 WeakPolarHBondContact O-CG1 3.34Å; C89-I92 PolarHBondContact O-N 3.39Å; C89-I92 VanDerWaalsContact O-N 3.09Å
93I56.7Low61.5Low127 Ų127112.7 Ų112.765%0.65165%0.649SS**SBendtrans-98.422178.7-44.9159.7000111.7C89 P95C89-I93 HydrophobicContact CB-CD1 4.06Å; C89-I93 WeakPolarHBondContact O-CG1 3.43Å; C89-I93 PolarHBondContact O-N 2.83Å; C89-I93 VanDerWaalsContact O-N 3.07Å; I93-P95 VanDerWaalsContact C-CD 3.43Å; I93-P95 WeakPolarHBondContact O-CD 3.47Å
94T52.7Low58.9Low109 Ų109116.2 Ų116.267%0.66966%0.663SS**  trans-94.392.6162.1-55.70000107.8
95P45.1Very low56.1Low109 Ų109121 Ų12171%0.70868%0.677SS**  trans-65.9135.816130.2-31.6000107.3I93 N97I93-P95 VanDerWaalsContact C-CD 3.43Å; I93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-N97 PolarHBondContact O-N 3.5Å
96G44.9Very low53.2Low78 Ų78127.2 Ų127.280%0.80471%0.707SS**  trans-54.1128.1176.400000111.5
97N33.1Very low50.2Low152 Ų152126.1 Ų126.181%0.81372%0.721SS**  trans-113.9117.6143.9-165.827000106.6P95P95-N97 PolarHBondContact O-N 3.5Å
98T44Very low47.4Very low129 Ų129123.3 Ų123.379%0.79172%0.723SS**  trans-71.9125.7175.944.10000110.2
99S34.6Very low45.5Very low88 Ų88121.4 Ų121.462%0.61573%0.73SS**  trans-167.1114.814657.80000110.3
100E34.8Very low43.7Very low175 Ų175125.9 Ų125.982%0.81876%0.755SS**  trans28.1118.1152.536.1-98.6118.800122.5
101A33.5Very low41.6Very low95 Ų95126.2 Ų126.279%0.78576%0.761SS**  trans-9.3-178.514300000121.3
102P49.4Very low40.5Very low116 Ų116131.8 Ų131.875%0.75377%0.77SS**  -118.8177.5-60.534.7-19.1000110
103V34.7Very low39.2Very low130 Ų130134.7 Ų134.779%0.78878%0.78SS**  trans165127.2138.2160.20000111.2
104K39.1Very low37.9Very low187 Ų187131.9 Ų131.981%0.81378%0.783SS**  trans-30.5140.7163.6-68.8170.5163.3175.40115.2
105R35.3Very low37.5Very low215 Ų215132.9 Ų132.981%0.81179%0.791SS**  166113.8110.4-88.4-179.4-79.9173-3.9108.6
106Q32.6Very low37Very low194 Ų194135.8 Ų135.891%0.90780%0.8SS**  65.8128.391.6-120-172.37.200113.9
107G30.9Very low36.9Very low80 Ų80140.5 Ų140.583%0.82580%0.801SS**  trans113.7124.1149.400000115.9
108S32.1Very low36.9Very low114 Ų114138.1 Ų138.180%0.79780%0.796SS**  trans-86-162.6178.8-157.80000111.2
109P48.6Very low37Very low112 Ų112141.1 Ų141.173%0.72780%0.798SS**  -101.5154.2-119.234.6-16.5000114
110V35.6Very low37Very low142 Ų142142 Ų14286%0.86180%0.8SS**  trans-136.3119.5163.7171.40000111.2
111S31.2Very low37.5Very low95 Ų95141.8 Ų141.866%0.66480%0.804SS**  trans-24.7138.1154.6-173.80000115.3
112Q40Very low38Very low185 Ų185144.8 Ų144.886%0.86480%0.801SS**  176.8145.3109.5-92.5-179.8-7.500112.4
113Q34.1Very low37.8Very low196 Ų196148.8 Ų148.892%0.91681%0.807SS**  trans-73.6150.1180-62.1164.4-56.700111.5
114G30.3Very low38.1Very low69 Ų69152.9 Ų152.971%0.71181%0.808SS**  trans179.3112.816300000112.1
115P43.2Very low38.3Very low130 Ų130153.2 Ų153.284%0.84481%0.813SS**  trans-91.6107.8172.532-24.9000109.7
116L35Very low38.4Very low170 Ų170145.6 Ų145.689%0.8980%0.801SS**  trans-115.6122.5164.7-81.2169.8000109.9S118L116-S118 PolarHBondContact O-N 2.82Å
117Q43.2Very low39.4Very low177 Ų177140.7 Ų140.783%0.82780%0.803SS**  trans-53.6130.3176.1-58.8-168.33.100111
118S33Very low39.9Very low102 Ų102144.6 Ų144.671%0.71380%0.799SS**  trans-121.597.4163.233.90000108.5L116 T120L116-S118 PolarHBondContact O-N 2.82Å; S118-T120 PolarHBondContact O-N 3.21Å
119K44.9Very low40.8Very low191 Ų191144 Ų14483%0.8380%0.802SS**  trans-68.3113.6154.5-67.6179.1178.4179.10106.5
120T35.9Very low40.6Very low108 Ų108142.9 Ų142.966%0.66379%0.79SS**  trans-133.697.9165.829.20000109.8S118 Q122S118-T120 PolarHBondContact O-N 3.21Å; T120-Q122 PolarHBondContact O-N 3.48Å
121L43.9Very low41.5Very low170 Ų170142.7 Ų142.789%0.8978%0.783SS**  trans-45.4112.6146.3178.178.5000108.6
122Q44.5Very low42.6Very low157 Ų157145.2 Ų145.273%0.73478%0.784SS**  trans-126.992.4162.9-73.8-153.1-1700110.5T120 R124T120-Q122 PolarHBondContact O-N 3.48Å; Q122-R124 PolarHBondContact O-N 3.16Å
123K46Very low43.3Very low200 Ų200141.8 Ų141.887%0.8778%0.78SS**  trans-59.5104.5148.1178.6-161.8-179.5-164.70107.5
124R41.4Very low44.5Very low216 Ų216140.1 Ų140.182%0.81577%0.77SS**  trans-138.998.7154.6-166.8-179.9-74.8-177.2-2.8108.4Q122 G126Q122-R124 PolarHBondContact O-N 3.16Å; R124-G126 PolarHBondContact O-N 2.75Å
125E41.8Very low46.7Very low194 Ų194140.2 Ų140.291%0.90776%0.76SS**  trans-57.4126159.2-177-153.7175.300108.3
126G38.4Very low48.1Very low55 Ų55140.3 Ų140.357%0.56775%0.753SS**  trans177.1109.9178.100000106.9R124 Q128R124-G126 PolarHBondContact O-N 2.75Å; G126-Q128 PolarHBondContact O-N 3.48Å
127G53.3Low49.8Very low91 Ų91135.2 Ų135.294%0.93874%0.735SS**  trans-43.997-171.200000113.8
128Q41.7Very low51.2Low162 Ų162129.8 Ų129.876%0.75772%0.72SS**  trans-114.1113.6167.7-82-82.7-36.700105.2G126 N130G126-Q128 PolarHBondContact O-N 3.48Å; Q128-N130 PolarHBondContact O-N 3.34Å
129A50.8Low53.3Low102 Ų102131.6 Ų131.684%0.84372%0.722SS**  trans-63.975.3165.400000108.4L131A129-L131 PolarHBondContact O-N 2.86Å; A129-L131 VanDerWaalsContact O-N 3.15Å
130N43.2Very low54.8Low89 Ų89129.9 Ų129.948%0.47671%0.714SS.*  trans-84.891179.3-163.8-67.1000107.2Q128 Q132Q128-N130 PolarHBondContact O-N 3.34Å; N130-Q132 PolarHBondContact O-N 3.41Å; N130-Q132 VanDerWaalsContact OD1-CA 3.24Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.42Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CG 3.49Å; N130-Q132 PolarHBondContact OD1-N 2.89Å; N130-Q132 PolarHBondContact OD1-O 3.44Å
131L54.7Low56.6Low138 Ų138128.4 Ų128.472%0.72371%0.709SS**  trans-69.52.7166.8-70172.8000112.1A129 S133A129-L131 PolarHBondContact O-N 2.86Å; A129-L131 VanDerWaalsContact O-N 3.15Å; L131-S133 PolarHBondContact O-N 3.18Å
132Q55.4Low57.3Low147 Ų147125.8 Ų125.869%0.68770%0.702SS**THydrogen-bonded Turntrans-83124.2-175.3-40.6-164.5-72.100109.9N130N130-Q132 PolarHBondContact O-N 3.41Å; N130-Q132 VanDerWaalsContact OD1-CA 3.24Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.42Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CG 3.49Å; N130-Q132 PolarHBondContact OD1-N 2.89Å; N130-Q132 PolarHBondContact OD1-O 3.44Å
133S53.4Low57.7Low113 Ų113125.3 Ų125.379%0.7971%0.709SS**THydrogen-bonded Turntrans74.339.4163.376.50000118.4L131 S135L131-S133 PolarHBondContact O-N 3.18Å; S133-S135 PolarHBondContact O-N 2.8Å
134K61.2Low58Low161 Ų161125.1 Ų125.170%0.771%0.708SS**  trans-66.784.7145.518.3-178.6171.5-77.90107.8
135S74.9Confident58.3Low71 Ų71122.4 Ų122.450%0.49771%0.705SS.*  trans-56.6142.8173.6176.40000109.4S133 A137 A138S133-S135 PolarHBondContact O-N 2.8Å; S135-A137 PolarHBondContact O-N 3.5Å; S135-A137 VanDerWaalsContact O-N 3.08Å; S135-A137 PolarHBondContact OG-N 2.72Å; S135-A138 VanDerWaalsContact O-CB 3.28Å; S135-A138 WeakPolarHBondContact O-CB 3.44Å; S135-A138 PolarHBondContact O-N 3.39Å
136L74.4Confident59Low133 Ų133118.9 Ų118.970%0.69669%0.691SS**G310 helixtrans-52.5-33.1176-142115.5000111.4A138 L139 F140L136-A138 PolarHBondContact O-N 2.91Å; L136-L139 WeakPolarHBondContact O-CB 3.39Å; L136-L139 PolarHBondContact O-N 3.48Å; L136-L139 VanDerWaalsContact O-N 3.14Å; L136-F140 HydrophobicContact CD2-CE2 3.99Å; L136-F140 WeakPolarHBondContact O-CD2 3.07Å
137A70.2Confident59.6Low63 Ų63126.9 Ų126.952%0.52170%0.704SS.*G310 helixtrans-64-24177.200000114.1S135 L139 F140 S141S135-A137 PolarHBondContact O-N 3.5Å; S135-A137 VanDerWaalsContact O-N 3.08Å; S135-A137 PolarHBondContact OG-N 2.72Å; A137-L139 PolarHBondContact O-N 2.78Å; A137-F140 PolarHBondContact O-N 3.48Å; A137-F140 VanDerWaalsContact O-N 3.17Å; A137-S141 PolarHBondContact O-N 2.77Å; A137-S141 VanDerWaalsContact O-N 3.14Å
138A71.6Confident59.7Low62 Ų62125.9 Ų125.951%0.51269%0.694SS.*G310 helixtrans-70.4-15.2176.600000112.9S135 L136 S141S135-A138 VanDerWaalsContact O-CB 3.28Å; S135-A138 WeakPolarHBondContact O-CB 3.44Å; S135-A138 PolarHBondContact O-N 3.39Å; L136-A138 PolarHBondContact O-N 2.91Å; A138-S141 PolarHBondContact O-OG 3.04Å
139L77.6Confident60.2Low141 Ų141127 Ų12774%0.73870%0.699SS**G310 helixtrans-80.2-25.1172.7-59.1175.1000112.3L136 A137L136-L139 WeakPolarHBondContact O-CB 3.39Å; L136-L139 PolarHBondContact O-N 3.48Å; L136-L139 VanDerWaalsContact O-N 3.14Å; A137-L139 PolarHBondContact O-N 2.78Å
140F76.6Confident60.3Low154 Ų154127.9 Ų127.968%0.67568%0.684SS**SBendtrans-112.15.6-173-60-77.8000113.3L136 A137 P142L136-F140 HydrophobicContact CD2-CE2 3.99Å; L136-F140 WeakPolarHBondContact O-CD2 3.07Å; A137-F140 PolarHBondContact O-N 3.48Å; A137-F140 VanDerWaalsContact O-N 3.17Å; F140-P142 WeakPolarHBondContact O-CD 3.47Å
141S72.8Confident61.2Low78 Ų78128 Ų12855%0.54570%0.697SS.*SBendtrans-67.9116.6175.453.10000109.2A137 A138 V143A137-S141 PolarHBondContact O-N 2.77Å; A137-S141 VanDerWaalsContact O-N 3.14Å; A138-S141 PolarHBondContact O-OG 3.04Å; S141-V143 PolarHBondContact O-N 3.3Å
142P58.3Low61.6Low115 Ų115131.5 Ų131.575%0.74771%0.706SS**  trans-64.6110.8-178-17.830.6000109.1F140 K144F140-P142 WeakPolarHBondContact O-CD 3.47Å; P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å
143V54.9Low62.8Low146 Ų146133 Ų13389%0.88571%0.711SS**  trans19.959.6159.4-172.50000114.4S141 E145S141-V143 PolarHBondContact O-N 3.3Å; V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.8Å
144K52.1Low64.3Low196 Ų196131.2 Ų131.285%0.85270%0.696SS**  trans-8886.4154.4-72.7-167.3-178.8-173.80105.5P142 I146P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å; K144-I146 PolarHBondContact O-N 3.47Å
145E47.8Very low65.7Low159 Ų159127.3 Ų127.374%0.74369%0.687SS**  trans5.385.8157.6-160.5178.4-17400114.4V143 R147V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.8Å; E145-R147 PolarHBondContact O-N 3.38Å
146I56Low66.5Low120 Ų120127.7 Ų127.762%0.61568%0.682SS**  trans-69.579.2167.60.5169.9000107.3K144 G148 K150K144-I146 PolarHBondContact O-N 3.47Å; I146-G148 PolarHBondContact O-N 2.83Å; I146-G148 VanDerWaalsContact O-N 3.08Å; I146-K150 WeakPolarHBondContact O-CD 3.38Å; I146-K150 VanDerWaalsContact O-CE 3.26Å; I146-K150 WeakPolarHBondContact O-CE 3.02Å
147R50.4Low67.3Low223 Ų223131 Ų13184%0.84269%0.685SS**  trans-75.581.2161.4-173.6171.1-175.7178.70.4107.2E145E145-R147 PolarHBondContact O-N 3.38Å
148G55Low68.4Low70 Ų70134.8 Ų134.872%0.72269%0.692SS**SBendtrans177.9-41.317200000117.6I146I146-G148 PolarHBondContact O-N 2.83Å; I146-G148 VanDerWaalsContact O-N 3.08Å
149E52.4Low69.5Low185 Ų185138 Ų13886%0.86469%0.691SS**  trans-152.248.7-172.6-155.6-173.5169.200111.5
150K52.5Low70.3Confident122 Ų122139.9 Ų139.953%0.5370%0.702SS.*  trans-88.5112.7-177.744.2-171161.1-170.30110.3I146 K152I146-K150 WeakPolarHBondContact O-CD 3.38Å; I146-K150 VanDerWaalsContact O-CE 3.26Å; I146-K150 WeakPolarHBondContact O-CE 3.02Å; K150-K152 PolarHBondContact O-N 2.86Å
151A62.8Low71.2Confident91 Ų91135.1 Ų135.175%0.75268%0.683SS**  trans16.378.1156.400000115.3K153A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.15Å
152K63.7Low72.3Confident211 Ų211134.7 Ų134.792%0.91768%0.679SS**  trans-67.5-4166.6-64.6-82.9-174.8166.20112.4K150K150-K152 PolarHBondContact O-N 2.86Å
153K80.4Confident73.8Confident179 Ų179134.1 Ų134.178%0.77868%0.675SS**SBendtrans-89.7127.7-178.3-64-177.5-178.5178.70108.9A151A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.15Å
154P85.1Confident75.6Confident75 Ų75131.4 Ų131.449%0.48766%0.662SS.*PPolyproline II helixtrans-57.9143.9173.723.9-31.9000109.7H158 R159P154-H158 HydrophobicContact CB-CB 4.19Å; P154-R159 HydrophobicContact CG-CG 4.24Å
155P90.5Very high77.7Confident79 Ų79127.7 Ų127.751%0.51365%0.646SS.*PPolyproline II helixtrans-47.1148.1170.9-28.133.9000111.2R157 H158P155-R157 PolarHBondContact O-N 2.78Å; P155-H158 WeakPolarHBondContact CD-ND1 3.43Å; P155-H158 PolarHBondContact O-N 3.5Å
156M91.9Very high79.9Confident79 Ų79124.3 Ų124.339%0.38963%0.629SS.*G310 helixtrans-52.2-36.9-179.3-71.6-59-68.500112.3H158 R159 L161 F165 F166M156-H158 VanDerWaalsContact C-N 3.25Å; M156-H158 PolarHBondContact O-N 3.31Å; M156-R159 WeakPolarHBondContact O-CB 3.47Å; M156-R159 PolarHBondContact O-N 2.89Å; M156-R159 VanDerWaalsContact O-N 3.15Å; M156-R159 PolarHBondContact SD-NH1 2.81Å; M156-L161 HydrophobicContact CE-CD1 3.51Å; M156-F165 HydrophobicContact CE-CE1 3.84Å; M156-F165 HydrophobicContact CE-CZ 3.83Å; M156-F166 VanDerWaalsContact C-CZ 3.49Å; M156-F166 HydrophobicContact CB-CE1 4.2Å; M156-F166 HydrophobicContact CB-CZ 4.22Å; M156-F166 WeakPolarHBondContact O-CZ 3.22Å
157R91.4Very high81.6Confident202 Ų202123 Ų12376%0.76263%0.627SS**G310 helixtrans-64.4-20.7177.2-66.8-178.7-179.7150.9-0.5115.1P155 F166P155-R157 PolarHBondContact O-N 2.78Å; R157-F166 VanDerWaalsContact CA-CZ 3.47Å; R157-F166 HydrophobicContact CB-CE1 4.33Å; R157-F166 HydrophobicContact CB-CZ 4.26Å; R157-F166 HydrophobicContact CG-CD1 3.83Å; R157-F166 HydrophobicContact CG-CE1 3.48Å; R157-F166 VanDerWaalsContact CG-CE1 3.48Å; R157-F166 HydrophobicContact CG-CZ 3.9Å
158H92.7Very high83.5Confident144 Ų144120.2 Ų120.267%0.66762%0.623SS**G310 helixtrans-99.28.7177.2-58.6149000112.8P154 P155 M156P154-H158 HydrophobicContact CB-CB 4.19Å; P155-H158 WeakPolarHBondContact CD-ND1 3.43Å; P155-H158 PolarHBondContact O-N 3.5Å; M156-H158 VanDerWaalsContact C-N 3.25Å; M156-H158 PolarHBondContact O-N 3.31Å
159R95.3Very high85.1Confident130 Ų130121.8 Ų121.849%0.49162%0.621SS.*SBendtrans-92.4155170.9-61.9173.464.7-171.6-4108.4P154 M156 L161P154-R159 HydrophobicContact CG-CG 4.24Å; M156-R159 WeakPolarHBondContact O-CB 3.47Å; M156-R159 PolarHBondContact O-N 2.89Å; M156-R159 VanDerWaalsContact O-N 3.15Å; M156-R159 PolarHBondContact SD-NH1 2.81Å; R159-L161 HydrophobicContact CB-CD1 4.25Å; R159-L161 HydrophobicContact CB-CG 4.17Å; R159-L161 PolarHBondContact O-N 3.47Å
160N94.4Very high86.1Confident179 Ų179117.5 Ų117.596%0.95762%0.617SS**SBendtrans-71.272.5175-63.2-47.4000110.6
161L95.4Very high86.6Confident54 Ų54118.8 Ų118.828%0.28363%0.63SS.*  trans-110.4148.1176.2-68.2172.9000109.1M156 R159 F165 F166M156-L161 HydrophobicContact CE-CD1 3.51Å; R159-L161 HydrophobicContact CB-CD1 4.25Å; R159-L161 HydrophobicContact CB-CG 4.17Å; R159-L161 PolarHBondContact O-N 3.47Å; L161-F165 HydrophobicContact CB-CB 4.21Å; L161-F165 HydrophobicContact CB-CG 4.37Å; L161-F165 HydrophobicContact CD1-CD1 3.81Å; L161-F165 HydrophobicContact CD1-CD2 4.46Å; L161-F165 HydrophobicContact CD1-CE1 3.94Å; L161-F165 HydrophobicContact CD1-CG 4.09Å; L161-F165 HydrophobicContact CD1-CZ 4.32Å; L161-F166 HydrophobicContact CB-CE2 4.05Å; L161-F166 HydrophobicContact CD1-CE2 4.44Å; L161-F166 HydrophobicContact CD1-CZ 4.09Å
162P95.7Very high86.1Confident70 Ų70119.9 Ų119.946%0.45563%0.631SS.*  trans-63.4150.9177.727.8-34.6000110.5S164 F165P162-S164 PolarHBondContact O-N 3.42Å; P162-S164 VanDerWaalsContact O-N 3.12Å; P162-F165 HydrophobicContact CG-CB 4.42Å; P162-F165 VanDerWaalsContact O-CB 3.28Å; P162-F165 WeakPolarHBondContact O-CB 3.35Å; P162-F165 PolarHBondContact O-N 2.85Å
163P90Very high85.6Confident103 Ų103115 Ų11567%0.66962%0.624SS**G310 helixtrans-53.9-32.8176-2735000113.2F165 F166 T167P163-F165 PolarHBondContact O-N 3.24Å; P163-F165 VanDerWaalsContact O-N 3.17Å; P163-F166 PolarHBondContact O-N 3.02Å; P163-T167 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-OG1 2.93Å; P163-T167 VanDerWaalsContact O-OG1 3.12Å
164S92.7Very high84.3Confident88 Ų88117 Ų11762%0.61563%0.626SS**G310 helixtrans-60.5-21.3175.957.80000114.7P162 F166P162-S164 PolarHBondContact O-N 3.42Å; P162-S164 VanDerWaalsContact O-N 3.12Å; S164-F166 PolarHBondContact O-N 3.4Å
165F95.8Very high82.5Confident119 Ų119119.7 Ų119.752%0.52264%0.641SS.*G310 helixtrans-66.8-23.5173.4-167.3-88.2000112M156 L161 P162 P163M156-F165 HydrophobicContact CE-CE1 3.84Å; M156-F165 HydrophobicContact CE-CZ 3.83Å; L161-F165 HydrophobicContact CB-CB 4.21Å; L161-F165 HydrophobicContact CB-CG 4.37Å; L161-F165 HydrophobicContact CD1-CD1 3.81Å; L161-F165 HydrophobicContact CD1-CD2 4.46Å; L161-F165 HydrophobicContact CD1-CE1 3.94Å; L161-F165 HydrophobicContact CD1-CG 4.09Å; L161-F165 HydrophobicContact CD1-CZ 4.32Å; P162-F165 HydrophobicContact CG-CB 4.42Å; P162-F165 VanDerWaalsContact O-CB 3.28Å; P162-F165 WeakPolarHBondContact O-CB 3.35Å; P162-F165 PolarHBondContact O-N 2.85Å; P163-F165 PolarHBondContact O-N 3.24Å; P163-F165 VanDerWaalsContact O-N 3.17Å
166F93.8Very high80.6Confident88 Ų88119.9 Ų119.939%0.38664%0.644SS.*THydrogen-bonded Turntrans-112.2-13.6-178.7-58.9-71.2000113.7M156 R157 L161 P163 S164M156-F166 VanDerWaalsContact C-CZ 3.49Å; M156-F166 HydrophobicContact CB-CE1 4.2Å; M156-F166 HydrophobicContact CB-CZ 4.22Å; M156-F166 WeakPolarHBondContact O-CZ 3.22Å; R157-F166 VanDerWaalsContact CA-CZ 3.47Å; R157-F166 HydrophobicContact CB-CE1 4.33Å; R157-F166 HydrophobicContact CB-CZ 4.26Å; R157-F166 HydrophobicContact CG-CD1 3.83Å; R157-F166 HydrophobicContact CG-CE1 3.48Å; R157-F166 VanDerWaalsContact CG-CE1 3.48Å; R157-F166 HydrophobicContact CG-CZ 3.9Å; L161-F166 HydrophobicContact CB-CE2 4.05Å; L161-F166 HydrophobicContact CD1-CE2 4.44Å; L161-F166 HydrophobicContact CD1-CZ 4.09Å; P163-F166 PolarHBondContact O-N 3.02Å; S164-F166 PolarHBondContact O-N 3.4Å
167T91.6Very high78.5Confident93 Ų93121.3 Ų121.357%0.57166%0.662SS**SBendtrans-97.2119.2178.1-53.10000109.3P163P163-T167 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-OG1 2.93Å; P163-T167 VanDerWaalsContact O-OG1 3.12Å
168E90Very high76.7Confident163 Ų163117.6 Ų117.676%0.76266%0.662SS**PPolyproline II helixtrans-64.2137.7171.2-172.6173.2-179.900110.2A170E168-A170 PolarHBondContact O-N 3.05Å
169P88.4Confident74.7Confident104 Ų104116.5 Ų116.568%0.67567%0.67SS**PPolyproline II helixtrans-58.8120.7176.3-2434.1000111.4N171P169-N171 PolarHBondContact O-N 2.68Å
170A74.8Confident73Confident95 Ų95113.3 Ų113.379%0.78568%0.678SS**THydrogen-bonded Turntrans-68.40.6-176.800000114.9E168E168-A170 PolarHBondContact O-N 3.05Å
171N62.8Low71.1Confident149 Ų149111.5 Ų111.580%0.79767%0.665SS**THydrogen-bonded Turntrans-131.853.6-173.7-55.1-55.9000111.9P169 S173P169-N171 PolarHBondContact O-N 2.68Å; N171-S173 VanDerWaalsContact C-N 3.25Å; N171-S173 PolarHBondContact O-N 3.43Å; N171-S173 VanDerWaalsContact O-N 3.14Å
172C51.5Low69.4Low114 Ų114112.8 Ų112.877%0.7768%0.676SS**  trans-68.997.7143.5-81.40000106.1R174C172-R174 VanDerWaalsContact C-N 3.31Å; C172-R174 PolarHBondContact O-N 3.5Å
173S53.6Low67.5Low109 Ų109116.8 Ų116.876%0.76269%0.692SS**  trans-53.795.8171.9174.50000109.6N171 V175N171-S173 VanDerWaalsContact C-N 3.25Å; N171-S173 PolarHBondContact O-N 3.43Å; N171-S173 VanDerWaalsContact O-N 3.14Å; S173-V175 PolarHBondContact O-N 2.7Å
174R53.7Low66.1Low219 Ų219118.7 Ų118.783%0.82669%0.69SS**  trans37.559.5149.1-55.1-85.1-85.3-169.7-4.9115C172 S176C172-R174 VanDerWaalsContact C-N 3.31Å; C172-R174 PolarHBondContact O-N 3.5Å; R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.33Å
175V47Very low64.5Low132 Ų132118.5 Ų118.580%0.868%0.682SS**  trans-77.296.4141.3178.40000104.3S173 S177S173-V175 PolarHBondContact O-N 2.7Å; V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.79Å
176S49.6Very low62.7Low83 Ų83116.8 Ų116.858%0.5868%0.678SS**  trans-53.4105.4166.7-95.20000107.2R174 T178R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.33Å; S176-T178 VanDerWaalsContact C-N 3.26Å; S176-T178 PolarHBondContact O-N 3.32Å
177S48.8Very low61Low109 Ų109119.5 Ų119.576%0.76269%0.692SS**  trans-62.197.4160-70.20000106.1V175 S179V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.79Å; S177-S179 PolarHBondContact O-N 3.36Å
178T54Low59.4Low125 Ų125125.6 Ų125.677%0.76770%0.704SS**  trans-75.253.9168.853.70000109.4S176 G180S176-T178 VanDerWaalsContact C-N 3.26Å; S176-T178 PolarHBondContact O-N 3.32Å; T178-G180 PolarHBondContact O-N 3.16Å
179S50.7Low57.8Low120 Ų120121.1 Ų121.184%0.83970%0.702SS**  trans-91.689.6164.4-169.70000106.6S177S177-S179 PolarHBondContact O-N 3.36Å
180G59.6Low56.3Low63 Ų63119.5 Ų119.565%0.64969%0.688SS**  trans144.22.1162.500000120.3T178 T182T178-G180 PolarHBondContact O-N 3.16Å; G180-T182 PolarHBondContact O-N 3.1Å
181M53.1Low55.6Low142 Ų142119.3 Ų119.370%0.768%0.679SS**  trans-79.8115.1173.4-65.3-144.975.800110.1D185M181-D185 HydrophobicContact CE-CB 4.12Å
182T60.6Low55.5Low81 Ų81118.7 Ų118.750%0.49767%0.671SS.*  trans-83.3148.3175.573.70000109.4G180 K184 D185G180-T182 PolarHBondContact O-N 3.1Å; T182-K184 PolarHBondContact O-N 3.07Å; T182-D185 PolarHBondContact N-OD2 3.06Å; T182-D185 PolarHBondContact O-N 3.22Å; T182-D185 PolarHBondContact OG1-OD2 3.4Å
183L56.3Low56Low153 Ų153114.1 Ų114.180%0.80164%0.641SS**Hα-helixtrans-48.9-28.2177.9-169.582.2000113D185 L186L183-D185 VanDerWaalsContact C-N 3.35Å; L183-L186 PolarHBondContact O-N 3.2Å
184K59.3Low56.4Low144 Ų144111.7 Ų111.763%0.62663%0.628SS**Hα-helixtrans-78.2-15.1-176.8-48.1-15877.7-172.80114.4T182 E187T182-K184 PolarHBondContact O-N 3.07Å; K184-E187 WeakPolarHBondContact CA-OE1 3.49Å; K184-E187 WeakPolarHBondContact CB-OE1 3.11Å; K184-E187 WeakPolarHBondContact O-CG 3.16Å
185D59.2Low57Low83 Ų83105.6 Ų105.644%0.44461%0.612SS.*Hα-helixtrans-86.4-17.6176.5-60.3-51.7000111.6M181 T182 L183M181-D185 HydrophobicContact CE-CB 4.12Å; T182-D185 PolarHBondContact N-OD2 3.06Å; T182-D185 PolarHBondContact O-N 3.22Å; T182-D185 PolarHBondContact OG1-OD2 3.4Å; L183-D185 VanDerWaalsContact C-N 3.35Å
186L59.3Low58.1Low84 Ų84105.2 Ų105.244%0.4460%0.6SS.*Hα-helixtrans-82.4-32.3-179.4-162.660.8000112.6L183 R188 A193 F197L183-L186 PolarHBondContact O-N 3.2Å; L186-R188 PolarHBondContact O-N 3.19Å; L186-A193 HydrophobicContact CD1-CB 3.62Å; L186-F197 HydrophobicContact CD1-CE2 4.03Å; L186-F197 HydrophobicContact CD2-CE2 4.36Å; L186-F197 HydrophobicContact CD2-CZ 4.07Å; L186-F197 HydrophobicContact CG-CE2 4.44Å
187E57.5Low59Low145 Ų145104.6 Ų104.668%0.67859%0.587SS**SBendtrans-67-11.9175.356.2-179.4175.600113.3K184K184-E187 WeakPolarHBondContact CA-OE1 3.49Å; K184-E187 WeakPolarHBondContact CB-OE1 3.11Å; K184-E187 WeakPolarHBondContact O-CG 3.16Å
188R57.6Low60.1Low220 Ų220107 Ų10783%0.8359%0.586SS**SBendtrans-103.743.7-175.2-138.1173.8-150.7-940.2112.7L186 N190L186-R188 PolarHBondContact O-N 3.19Å; R188-N190 VanDerWaalsContact C-N 3.34Å; R188-N190 PolarHBondContact O-N 3.44Å
189G56Low61.2Low70 Ų70108.1 Ų108.172%0.72259%0.586SS**  trans43.552.9160.900000114.9
190N56.5Low62.4Low70 Ų70105.7 Ų105.737%0.37456%0.564SS.*  trans-78.7122.4171.9-174.7-9.2000108.4R188 E192 A193R188-N190 VanDerWaalsContact C-N 3.34Å; R188-N190 PolarHBondContact O-N 3.44Å; N190-E192 PolarHBondContact O-N 2.97Å; N190-E192 PolarHBondContact OD1-N 2.94Å; N190-A193 HydrophobicContact CB-CB 4.39Å; N190-A193 WeakPolarHBondContact O-CB 3.3Å; N190-A193 PolarHBondContact O-N 3.14Å
191P62.1Low62.6Low91 Ų91103.8 Ų103.859%0.59154%0.544SS*.Hα-helixtrans-57.1-31.8179.522.9-34.3000112.8A193 A194 D195P191-A193 PolarHBondContact O-N 3.27Å; P191-A194 WeakPolarHBondContact O-CB 3.28Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A194 VanDerWaalsContact O-N 3.14Å; P191-D195 PolarHBondContact O-N 3.46Å
192E60.2Low63.3Low135 Ų135101.9 Ų101.963%0.63154%0.542SS*.Hα-helixtrans-67.8-22178-60.3-68.6150.200113.1N190 F196N190-E192 PolarHBondContact O-N 2.97Å; N190-E192 PolarHBondContact OD1-N 2.94Å; E192-F196 PolarHBondContact O-N 3.08Å
193A61.2Low63.4Low18 Ų18104.3 Ų104.315%0.14955%0.552CS.*Hα-helixtrans-77.6-32.717500000111.4L186 N190 P191 D195 F196 F197L186-A193 HydrophobicContact CD1-CB 3.62Å; N190-A193 HydrophobicContact CB-CB 4.39Å; N190-A193 WeakPolarHBondContact O-CB 3.3Å; N190-A193 PolarHBondContact O-N 3.14Å; P191-A193 PolarHBondContact O-N 3.27Å; A193-D195 VanDerWaalsContact C-N 3.33Å; A193-F196 WeakPolarHBondContact O-CB 3.48Å; A193-F196 PolarHBondContact O-N 3.18Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.23Å; A193-F197 VanDerWaalsContact O-N 3.08Å
194A62.5Low63.8Low58 Ų58102.3 Ų102.348%0.47953%0.534SS..Hα-helixtrans-63.2-42.7176.400000110.9P191 F196 F197 E198P191-A194 WeakPolarHBondContact O-CB 3.28Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A194 VanDerWaalsContact O-N 3.14Å; A194-F196 VanDerWaalsContact C-N 3.29Å; A194-F196 PolarHBondContact O-N 3.31Å; A194-F197 PolarHBondContact O-N 3.33Å; A194-E198 PolarHBondContact O-N 3.37Å
195D66.5Low63.9Low92 Ų9298.9 Ų98.949%0.49253%0.529SS..Hα-helixtrans-64.7-33.7176.2-62.6-17.6000112P191 A193 E198 L199P191-D195 PolarHBondContact O-N 3.46Å; A193-D195 VanDerWaalsContact C-N 3.33Å; D195-E198 PolarHBondContact O-N 3.39Å; D195-L199 WeakPolarHBondContact O-CB 3.46Å; D195-L199 PolarHBondContact O-N 3.24Å
196F69.9Low64.2Low124 Ų124100 Ų10054%0.54453%0.534SS..Hα-helixtrans-65.6-41.2174-177.3-101.1000112E192 A193 A194 L200E192-F196 PolarHBondContact O-N 3.08Å; A193-F196 WeakPolarHBondContact O-CB 3.48Å; A193-F196 PolarHBondContact O-N 3.18Å; A194-F196 VanDerWaalsContact C-N 3.29Å; A194-F196 PolarHBondContact O-N 3.31Å; F196-L200 HydrophobicContact CD1-CD1 3.96Å; F196-L200 HydrophobicContact CE1-CD1 3.56Å; F196-L200 HydrophobicContact CE1-CG 4.36Å; F196-L200 HydrophobicContact CZ-CD1 4.1Å; F196-L200 WeakPolarHBondContact O-CG 3.23Å; F196-L200 PolarHBondContact O-N 3.06Å
197F67.6Low64.5Low70 Ų70101.6 Ų101.631%0.30754%0.541SS..Hα-helixtrans-71.3-33.3176.7-74.7-70.5000112.9L186 A193 A194 L200 V208L186-F197 HydrophobicContact CD1-CE2 4.03Å; L186-F197 HydrophobicContact CD2-CE2 4.36Å; L186-F197 HydrophobicContact CD2-CZ 4.07Å; L186-F197 HydrophobicContact CG-CE2 4.44Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.23Å; A193-F197 VanDerWaalsContact O-N 3.08Å; A194-F197 PolarHBondContact O-N 3.33Å; F197-L200 HydrophobicContact CD1-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.48Å; F197-V208 HydrophobicContact CE1-CG2 4.31Å
198E72.8Confident64.8Low158 Ų15897.6 Ų97.674%0.73853%0.526SS*.Hα-helixtrans-66.5-39.4174.4-170.1171.8174.100111.7A194 D195 L200 G201A194-E198 PolarHBondContact O-N 3.37Å; D195-E198 PolarHBondContact O-N 3.39Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.25Å; E198-G201 PolarHBondContact O-N 2.69Å; E198-G201 VanDerWaalsContact O-N 3.13Å
199L77.8Confident64.9Low150 Ų15091.7 Ų91.779%0.78551%0.512SS*.Hα-helixtrans-65.8-31.3177-176.262.8000113.4D195 G201D195-L199 WeakPolarHBondContact O-CB 3.46Å; D195-L199 PolarHBondContact O-N 3.24Å; L199-G201 PolarHBondContact O-N 3.31Å
200L74.4Confident65Low69 Ų6994.8 Ų94.836%0.36151%0.507SS..THydrogen-bonded Turntrans-71.1-8176.6-69173.3000113.1F196 F197 E198 Y204F196-L200 HydrophobicContact CD1-CD1 3.96Å; F196-L200 HydrophobicContact CE1-CD1 3.56Å; F196-L200 HydrophobicContact CE1-CG 4.36Å; F196-L200 HydrophobicContact CZ-CD1 4.1Å; F196-L200 WeakPolarHBondContact O-CG 3.23Å; F196-L200 PolarHBondContact O-N 3.06Å; F197-L200 HydrophobicContact CD1-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.48Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.25Å; L200-Y204 HydrophobicContact CB-CD1 4.5Å; L200-Y204 HydrophobicContact CB-CD2 4.41Å; L200-Y204 HydrophobicContact CB-CG 3.97Å; L200-Y204 HydrophobicContact CD1-CD1 3.78Å; L200-Y204 HydrophobicContact CD1-CD2 4.39Å; L200-Y204 HydrophobicContact CD1-CE1 4Å; L200-Y204 HydrophobicContact CD1-CG 3.98Å
201G64.6Low65Low22 Ų2298.4 Ų98.423%0.22752%0.522CS..  trans79164.5176.400000113.5E198 L199 D203 Y204E198-G201 PolarHBondContact O-N 2.69Å; E198-G201 VanDerWaalsContact O-N 3.13Å; L199-G201 PolarHBondContact O-N 3.31Å; G201-D203 PolarHBondContact O-N 2.73Å; G201-D203 VanDerWaalsContact O-N 3.07Å; G201-Y204 PolarHBondContact O-N 3.23Å; G201-Y204 VanDerWaalsContact O-N 3.1Å
202P67.3Low64.6Low102 Ų10298.7 Ų98.766%0.66252%0.518SS*.Hα-helixtrans-60-23.4-1757.7-12.6000113.9Y204 S205 N206P202-Y204 VanDerWaalsContact C-N 3.27Å; P202-Y204 PolarHBondContact O-N 3.17Å; P202-S205 PolarHBondContact O-N 2.89Å; P202-N206 PolarHBondContact O-N 2.9Å; P202-N206 PolarHBondContact O-ND2 3.02Å
203D63.3Low64.1Low133 Ų13398 Ų9871%0.71152%0.518SS*.Hα-helixtrans-64-32.6178.4-61.5-34.3000112.3G201G201-D203 PolarHBondContact O-N 2.73Å; G201-D203 VanDerWaalsContact O-N 3.07Å
204Y63.9Low63.5Low110 Ų110106.9 Ų106.943%0.43155%0.549SS..Hα-helixtrans-79.5-33.1179.8-144.6-89000112.4L200 G201 P202 N206 M207 V208L200-Y204 HydrophobicContact CB-CD1 4.5Å; L200-Y204 HydrophobicContact CB-CD2 4.41Å; L200-Y204 HydrophobicContact CB-CG 3.97Å; L200-Y204 HydrophobicContact CD1-CD1 3.78Å; L200-Y204 HydrophobicContact CD1-CD2 4.39Å; L200-Y204 HydrophobicContact CD1-CE1 4Å; L200-Y204 HydrophobicContact CD1-CG 3.98Å; G201-Y204 PolarHBondContact O-N 3.23Å; G201-Y204 VanDerWaalsContact O-N 3.1Å; P202-Y204 VanDerWaalsContact C-N 3.27Å; P202-Y204 PolarHBondContact O-N 3.17Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.19Å; Y204-M207 PolarHBondContact O-N 3.48Å; Y204-V208 HydrophobicContact CD1-CG2 4.36Å; Y204-V208 PolarHBondContact O-N 3.47Å
205S62.4Low63Low72 Ų72112.2 Ų112.250%0.50356%0.564SS.*Hα-helixtrans-62.9-32.9177.5-170.70000112.3P202 N209P202-S205 PolarHBondContact O-N 2.89Å; S205-N209 WeakPolarHBondContact O-CB 3.28Å; S205-N209 PolarHBondContact O-N 3.26Å
206N64.3Low61.8Low106 Ų106110.5 Ų110.557%0.56757%0.568SS**Hα-helixtrans-67.1-37.3177.5-76.7-42.3000112.4P202 Y204 N209 E210P202-N206 PolarHBondContact O-N 2.9Å; P202-N206 PolarHBondContact O-ND2 3.02Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.19Å; N206-N209 PolarHBondContact O-N 3.13Å; N206-E210 PolarHBondContact O-N 2.87Å; N206-E210 VanDerWaalsContact O-N 3.15Å
207M65.8Low60.2Low119 Ų119110.7 Ų110.759%0.58658%0.579SS**Hα-helixtrans-70.2-33.2-179.8-68-177.857.200113.3Y204Y204-M207 PolarHBondContact O-N 3.48Å
208V64Low58.7Low60 Ų60112.8 Ų112.836%0.36460%0.599SS.*Hα-helixtrans-73.6-41176.8-179.90000110.3F197 Y204 E210 Q211 D212F197-V208 HydrophobicContact CE1-CG2 4.31Å; Y204-V208 HydrophobicContact CD1-CG2 4.36Å; Y204-V208 PolarHBondContact O-N 3.47Å; V208-E210 VanDerWaalsContact C-N 3.31Å; V208-E210 PolarHBondContact O-N 2.97Å; V208-Q211 WeakPolarHBondContact O-CB 3.46Å; V208-Q211 PolarHBondContact O-N 3.17Å; V208-D212 PolarHBondContact O-N 3.05Å
209N60.9Low57.4Low97 Ų97113.9 Ų113.952%0.51961%0.61SS.*Hα-helixtrans-66.3-31.9-179.8-149.65.6000112.4S205 N206 Q211 D212 I213S205-N209 WeakPolarHBondContact O-CB 3.28Å; S205-N209 PolarHBondContact O-N 3.26Å; N206-N209 PolarHBondContact O-N 3.13Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.41Å; N209-D212 PolarHBondContact O-N 3.44Å; N209-I213 PolarHBondContact O-N 3Å
210E57.8Low55.6Low134 Ų134118.6 Ų118.663%0.62662%0.617SS**Hα-helixtrans-64.4-28.8171.1-75.6-163.6143.400113.1N206 V208 Y214N206-E210 PolarHBondContact O-N 2.87Å; N206-E210 VanDerWaalsContact O-N 3.15Å; V208-E210 VanDerWaalsContact C-N 3.31Å; V208-E210 PolarHBondContact O-N 2.97Å; E210-Y214 VanDerWaalsContact O-CD2 3.31Å; E210-Y214 WeakPolarHBondContact O-CD2 3.47Å
211Q55.2Low53.5Low147 Ų147118.8 Ų118.869%0.68764%0.635SS**Hα-helixtrans-74-32.2176.7-72.1-163.51.700113.3V208 N209 I213 Y214V208-Q211 WeakPolarHBondContact O-CB 3.46Å; V208-Q211 PolarHBondContact O-N 3.17Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.41Å; Q211-I213 VanDerWaalsContact C-N 3.29Å; Q211-I213 PolarHBondContact O-N 3.47Å; Q211-Y214 PolarHBondContact O-N 3.38Å
212D54.5Low52.1Low96 Ų96125.4 Ų125.451%0.51366%0.66SS.*Hα-helixtrans-70.6-25.9176.7-82.3-48.8000112.6V208 N209 Y214 Q215 G216V208-D212 PolarHBondContact O-N 3.05Å; N209-D212 PolarHBondContact O-N 3.44Å; D212-Y214 PolarHBondContact O-N 3.07Å; D212-Q215 PolarHBondContact O-N 3.1Å; D212-Q215 VanDerWaalsContact O-N 3.15Å; D212-G216 PolarHBondContact O-N 3.21Å
213I50Low51Low120 Ų120126.2 Ų126.262%0.61567%0.666SS**Hα-helixtrans-65.8-27.3174.4-74.2157.1000112N209 Q211N209-I213 PolarHBondContact O-N 3Å; Q211-I213 VanDerWaalsContact C-N 3.29Å; Q211-I213 PolarHBondContact O-N 3.47Å
214Y48.6Very low49.5Very low206 Ų206126.2 Ų126.281%0.80867%0.666SS**THydrogen-bonded Turntrans-81.3-15.6174.9-75.4-81.1000113.9E210 Q211 D212E210-Y214 VanDerWaalsContact O-CD2 3.31Å; E210-Y214 WeakPolarHBondContact O-CD2 3.47Å; Q211-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 PolarHBondContact O-N 3.07Å
215Q51.3Low48.3Very low170 Ų170128.6 Ų128.679%0.79469%0.685SS**THydrogen-bonded Turntrans-94.9-10175.6-81.4-17144.500114D212D212-Q215 PolarHBondContact O-N 3.1Å; D212-Q215 VanDerWaalsContact O-N 3.15Å
216G41.4Very low46.8Very low56 Ų56128.7 Ų128.758%0.57770%0.697SS**  trans-98.530.7-169.700000117.4D212 P218D212-G216 PolarHBondContact O-N 3.21Å; G216-P218 VanDerWaalsContact O-CD 3.31Å; G216-P218 WeakPolarHBondContact O-CD 3.31Å
217V36Very low45.5Very low128 Ų128127 Ų12778%0.77671%0.706SS**  trans-91108170.6-168.40000109.4L219V217-L219 PolarHBondContact O-N 3.02Å
218P37.6Very low44.2Very low113 Ų113130.1 Ų130.173%0.73472%0.724SS**  trans-79.1119.4178.325.7-18.2000110G216 R220G216-P218 VanDerWaalsContact O-CD 3.31Å; G216-P218 WeakPolarHBondContact O-CD 3.31Å; P218-R220 PolarHBondContact O-N 3.44Å
219L45.2Very low42.8Very low182 Ų182134.7 Ų134.795%0.95375%0.746SS**  trans-55.9100.9164.5-17970.9000110.2V217V217-L219 PolarHBondContact O-N 3.02Å
220R38.8Very low42.1Very low248 Ų248135.5 Ų135.594%0.93676%0.757SS**  trans-152.6116.3163.5-152.8-158.7-167.5-126.34.8112.9P218P218-R220 PolarHBondContact O-N 3.44Å
221G31.2Very low41.2Very low73 Ų73133.6 Ų133.675%0.75376%0.764SS**  trans129.688.4151.400000116.9
222Q34.1Very low40.4Very low161 Ų161131 Ų13175%0.75276%0.762SS**  trans-58149150-105.8-82.5-45.800110.5
223P45.6Very low39.3Very low120 Ų120136.5 Ų136.578%0.77978%0.777SS**  -138.1168.679.532.8-14.3000111.4
224D31.4Very low38.5Very low132 Ų132136.9 Ų136.971%0.70678%0.78SS**  cis-169.5166.7-4.9174.726000104.2
225L38.7Very low38.6Very low160 Ų160135.1 Ų135.184%0.83878%0.779SS**  trans96.2105.6162.4-148.968.9000119.1
226G31.3Very low38.6Very low74 Ų74134.6 Ų134.676%0.76378%0.781SS**  trans111.297.5139.500000115
227G37.1Very low38.7Very low72 Ų72138.9 Ų138.974%0.74280%0.796SS**  trans-75.1167.2177.900000115.2
228L37.5Very low38.7Very low184 Ų184136.6 Ų136.696%0.96380%0.798SS**  trans-174.5140.8143-102.6140.7000108.8
229D34.5Very low38.9Very low156 Ų156135 Ų13583%0.83480%0.801SS**  trans-56.3162.8-173.2-120.2-20.5000115.3
230P47.2Very low39.2Very low114 Ų114134.5 Ų134.574%0.7480%0.799SS**  trans-94.4117.4-171.136.5-29.2000112
231A37.2Very low39.6Very low94 Ų94130.5 Ų130.578%0.77780%0.795SS**  trans-161.4122156.700000111
232S38.7Very low40.1Very low93 Ų93137.4 Ų137.465%0.6580%0.8SS**  trans61.5108.2156.1-167.90000117.1
233Y32.4Very low40.5Very low211 Ų211136.1 Ų136.183%0.82780%0.803SS**  -174.7150.4107.9-103.9-76.9000111.5
234D33.9Very low40Very low127 Ų127135.2 Ų135.268%0.67979%0.789SS**  trans-51.7169.4-177.6-62.8-74000117.4
235H50.6Low41.1Very low170 Ų170134.3 Ų134.379%0.78779%0.79SS**  trans82.499.8164.1-7774000116.8
236L49.5Very low41.5Very low159 Ų159136.1 Ų136.183%0.83279%0.786SS**  173.6155.197.9-81175.2000109.3
237V44.3Very low41.9Very low146 Ų146138.7 Ų138.789%0.88579%0.787SS**  trans87.869.3-179.1-167.60000114.2
238G37.1Very low41.6Very low80 Ų80142 Ų14283%0.82579%0.787SS**  trans-81.9146.615600000111.5
239G41.2Very low41.5Very low78 Ų78138.5 Ų138.580%0.80478%0.777SS**  trans122.645.1141.500000119.2
240L51.8Low41.8Very low172 Ų172136.9 Ų136.990%0.90178%0.778SS**  trans-95.292.7151-77.6174.4000108.8
241L46.8Very low41.3Very low165 Ų165134.9 Ų134.986%0.86478%0.778SS**  trans-150.5109.4157.8-73.4-177.2000110.4
242Y41.4Very low41.3Very low218 Ų218136.4 Ų136.486%0.85578%0.78SS**  trans-14.6125.4149.9-176.7-94.5000115.6
243T41.8Very low41.1Very low133 Ų133138.3 Ų138.382%0.81679%0.792SS**  trans-154.9131.4147.7-51.20000111.8
244E36.6Very low41.5Very low102 Ų102137.3 Ų137.348%0.47779%0.792SS.*  trans-56.7150.1178.5174-96.5-16500114.8W246E244-W246 PolarHBondContact O-N 3.41Å; E244-W246 WeakPolarHBondContact OE1-CB 3.31Å; E244-W246 PolarHBondContact OE2-N 3.48Å; E244-W246 VanDerWaalsContact OE2-O 3.08Å
245P53.2Low42Very low112 Ų112140.9 Ų140.973%0.72780%0.801SS**SBendtrans-97.152.2-176.537.8-33.9000113.1
246W47.3Very low41.2Very low198 Ų198138.7 Ų138.775%0.7580%0.802SS**  trans-146.399.5162.8-59.691.1000110.7E244E244-W246 PolarHBondContact O-N 3.41Å; E244-W246 WeakPolarHBondContact OE1-CB 3.31Å; E244-W246 PolarHBondContact OE2-N 3.48Å; E244-W246 VanDerWaalsContact OE2-O 3.08Å
247T39.8Very low40.4Very low128 Ų128136 Ų13679%0.78580%0.797SS**  trans173.1147.8137.237.60000113.3
248N30.5Very low39.8Very low141 Ų141138 Ų13875%0.75480%0.797SS**  trans84.8104.7162.4-57.5-19.7000117
249C35.6Very low39.5Very low111 Ų111137.3 Ų137.375%0.7579%0.789SS**  68.3109.662.1-61.30000114.1
250S41Very low39.3Very low123 Ų123141.2 Ų141.286%0.8679%0.791SS**  trans52.5115.214058.70000119.7
251G36.1Very low38.5Very low71 Ų71143.2 Ų143.273%0.73279%0.786SS**  trans-153.9148157.500000111.4
252P38.8Very low37.9Very low127 Ų127141.9 Ų141.983%0.82579%0.785SS**  trans-88.9131-15934.2-31.5000112.5
253C32.8Very low37.5Very low132 Ų132134.7 Ų134.789%0.89278%0.778SS**  trans-94.4109.8170.6-161.80000110.3
254K41.6Very low37.6Very low191 Ų191134.4 Ų134.483%0.8378%0.778SS**  trans-75136.6169.6-69.8-171.6176.3179.70109.4
255K44.2Very low37.6Very low201 Ų201135.7 Ų135.787%0.87480%0.795SS**  trans-65.5160.3171.3-64.4-178.2175.6-177.60111.6
256P34.1Very low37.3Very low125 Ų125138.9 Ų138.981%0.81280%0.8SS**  -128.7150.3117.322.4-5.1000113.7
257S31.8Very low37Very low103 Ų103134.1 Ų134.172%0.7280%0.795SS**  trans-52.6154.1163.8-155.70000110.1
258E32.8Very low36.9Very low188 Ų188134.5 Ų134.588%0.87980%0.8SS**  174.3153.955.4-160.5162.8-146.200107.6
259G31.2Very low36.9Very low65 Ų65134 Ų13467%0.6780%0.801SS**  trans150.782.4165.800000119
260L37Very low36.6Very low159 Ų159137.3 Ų137.383%0.83280%0.799SS**  trans54.9111.8137-60.2167.3000122.9
261R34.4Very low36Very low214 Ų214137.6 Ų137.681%0.80880%0.801SS**  81.7121.5123.2-71.2-68.6-135.6-119.72.5122.5
262T33.8Very low35.6Very low138 Ų138141 Ų14185%0.84780%0.798SS**  trans76.6121.7137.338.70000122.7
263G33.7Very low35.3Very low67 Ų67138.6 Ų138.669%0.69179%0.789SS**  trans143.7119.3151.100000114.7
264P43.4Very low35.3Very low126 Ų126140.8 Ų140.882%0.81879%0.786SS**PPolyproline II helixtrans-80.6139.1177.131.5-31.2000111.9
265P37.6Very low34.8Very low129 Ų129139 Ų13984%0.83879%0.786SS**PPolyproline II helixtrans-83.1125.7176.430.6-30.4000111.8
266Q45.1Very low34.3Very low179 Ų179136 Ų13684%0.83678%0.784SS**PPolyproline II helixtrans-65.8145.2166.6-71.9-88.7-44.400111.1
267P42.4Very low34.4Very low99 Ų99135.1 Ų135.164%0.64378%0.781SS**PPolyproline II helixtrans-85.4142.8166.732.6-30.6000111.4V269P267-V269 PolarHBondContact O-N 3.36Å
268P37.4Very low34.5Very low136 Ų136136.5 Ų136.588%0.88379%0.785SS**PPolyproline II helixtrans-69124.8167.2-13.127.8000110.5
269V31.1Very low34.9Very low130 Ų130133 Ų13379%0.78878%0.778SS**PPolyproline II helixtrans-80.1126.6176.3172.40000109.3P267P267-V269 PolarHBondContact O-N 3.36Å
270Y28.4Very low35.3Very low181 Ų181137.8 Ų137.871%0.7179%0.788SS**  trans47.5116.7143.3-151.6-104.5000119.9Q272Y270-Q272 HydrophobicContact CD1-CB 4.27Å; Y270-Q272 HydrophobicContact CE1-CB 3.88Å; Y270-Q272 HydrophobicContact CE1-CG 4.25Å
271S27.6Very low35.6Very low129 Ų129137.2 Ų137.290%0.90279%0.785SS**  trans-120.793.5148.8-63.20000108.6
272Q27.9Very low35.7Very low142 Ų142134.2 Ų134.266%0.66479%0.786SS**  trans5.2116.2146.1-156.2166.3-400117.1Y270Y270-Q272 HydrophobicContact CD1-CB 4.27Å; Y270-Q272 HydrophobicContact CE1-CB 3.88Å; Y270-Q272 HydrophobicContact CE1-CG 4.25Å
273A33Very low36.4Very low76 Ų76134.4 Ų134.463%0.62878%0.781SS**  trans-71138.7156.200000109.4
274E33.7Very low36.6Very low179 Ų179134 Ų13484%0.83678%0.777SS**  trans-110.6114.7152.7-68-157.4128.600107.6
275D31.3Very low36.5Very low153 Ų153134.9 Ų134.982%0.81878%0.775SS**  trans-73.1132.8166.2-74.9-49.6000108.7
276T32.3Very low36.5Very low137 Ų137135 Ų13584%0.8478%0.777SS**  trans-137.8106.4150.9-62.40000107.7
277S36.2Very low36.3Very low108 Ų108131.7 Ų131.776%0.75577%0.769SS**  trans-83.4126.8175.152.90000111
278V33.8Very low36.3Very low132 Ų132134.1 Ų134.180%0.878%0.776SS**  trans-151.4135.8146.2-161.80000108.6
279P40.8Very low36.4Very low114 Ų114133.3 Ų133.374%0.7477%0.768SS**  trans-90.9139.9-17435.3-31.2000111.5
280L40.3Very low37.4Very low166 Ų166135 Ų13587%0.86977%0.766SS**  trans-148115.6160.3-170.962.6000109.7
281D42.9Very low38.6Very low146 Ų146131.3 Ų131.378%0.78176%0.764SS**  trans-66.2126167.3-36.9-86.9000108.4
282D36.9Very low39.6Very low152 Ų152132.5 Ų132.581%0.81376%0.76SS**  trans-160.6135.4137.2-158.4-114.7000112.4G284D282-G284 PolarHBondContact O-N 3.37Å; D282-G284 VanDerWaalsContact O-N 3.09Å
283N48.6Very low40.5Very low141 Ų141134.5 Ų134.575%0.75477%0.767SS**  trans-77.578178.5174.847.6000109.9
284G37.7Very low41.2Very low59 Ų59139.3 Ų139.361%0.60877%0.774SS**  trans-95.891.9176.600000112.7D282 C286D282-G284 PolarHBondContact O-N 3.37Å; D282-G284 VanDerWaalsContact O-N 3.09Å; G284-C286 PolarHBondContact O-N 3.35Å; G284-C286 VanDerWaalsContact O-N 3.1Å
285L42.1Very low42Very low145 Ų145136.6 Ų136.676%0.75977%0.772SS**  trans-59.2108.9162.4-77.9154.1000108.8T287L285-T287 PolarHBondContact O-N 3.41Å; L285-T287 PolarHBondContact O-OG1 3.24Å
286C36.1Very low42.7Very low131 Ų131136.4 Ų136.489%0.88577%0.771SS**  trans-64.185.3170.9-68.10000110.2G284 L288G284-C286 PolarHBondContact O-N 3.35Å; G284-C286 VanDerWaalsContact O-N 3.1Å; C286-L288 PolarHBondContact O-N 2.93Å
287T41.9Very low43Very low110 Ų110134.8 Ų134.868%0.67576%0.764SS**  trans-8694.1170.6-40.20000106.6L285 T289L285-T287 PolarHBondContact O-N 3.41Å; L285-T287 PolarHBondContact O-OG1 3.24Å; T287-T289 VanDerWaalsContact C-N 3.32Å; T287-T289 PolarHBondContact O-N 3.34Å
288L41.7Very low44Very low149 Ų149135.4 Ų135.478%0.7877%0.768SS**  trans-63.294.5171.8-75.2167.6000108.7C286C286-L288 PolarHBondContact O-N 2.93Å
289T40.9Very low44.8Very low119 Ų119136.2 Ų136.273%0.7377%0.766SS**  trans-89.6106.7174.2-60.90000107.8T287T287-T289 VanDerWaalsContact C-N 3.32Å; T287-T289 PolarHBondContact O-N 3.34Å
290F51.9Low44.7Very low166 Ų166135.8 Ų135.873%0.72877%0.766SS**  trans-77139.1165.9-69.4-84.8000109.1N292F290-N292 PolarHBondContact O-N 3.31Å
291P52.2Low44.8Very low103 Ų103136.8 Ų136.867%0.66977%0.766SS**  trans-66.1121.2170.625.7-29.6000109.2F293P291-F293 PolarHBondContact O-N 3.15Å
292N49.3Very low44.6Very low155 Ų155135.1 Ų135.183%0.82976%0.761SS**  trans-70.5107.2175.4-74.8-73.4000109.4F290 F294F290-N292 PolarHBondContact O-N 3.31Å; N292-F294 PolarHBondContact O-N 3.15Å
293F47Very low44.9Very low184 Ų184133.6 Ų133.681%0.80776%0.758SS**  trans-87.443.8174.9-104.4-86.3000112.6P291P291-F293 PolarHBondContact O-N 3.15Å
294F48.5Very low44.4Very low176 Ų176136.7 Ų136.777%0.77276%0.76SS**  trans-140.9107.3171.8-70.6-77.4000109.3N292 D296N292-F294 PolarHBondContact O-N 3.15Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 3.49Å
295P50.1Low44.5Very low122 Ų122140.8 Ų140.879%0.79277%0.768SS**THydrogen-bonded Turntrans-76.3-2.5-17628.1-31.2000115
296D45.2Very low44.6Very low149 Ų149142 Ų14280%0.79777%0.774SS**THydrogen-bonded Turntrans-12427.8-165.9-60.3-44.8000116.7F294F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 3.49Å
297C39.9Very low45Very low103 Ų103143.2 Ų143.270%0.69677%0.772SS**  trans-116.592.6170.3-950000111.3I299C297-I299 PolarHBondContact O-N 3.41Å
298S55.4Low44.7Very low121 Ų121141.4 Ų141.485%0.84678%0.776SS**  trans-68.492.4168.159.40000110.1S300S298-S300 PolarHBondContact O-N 3.39Å
299I51.5Low44.4Very low149 Ų149137.3 Ų137.376%0.76477%0.769SS**  trans-82.5111.6171.9-69.8166.4000108.2C297 Q301C297-I299 PolarHBondContact O-N 3.41Å; I299-Q301 PolarHBondContact O-N 3.29Å; I299-Q301 VanDerWaalsContact O-N 3.15Å
300S39.5Very low44.6Very low105 Ų105142.8 Ų142.873%0.73478%0.778SS**  trans-58113.9171.3-41.30000109.8S298 V302S298-S300 PolarHBondContact O-N 3.39Å; S300-V302 PolarHBondContact O-N 3.46Å
301Q41Very low44.1Very low187 Ų187141.9 Ų141.987%0.87478%0.781SS**  trans-68.3100.2170.8-76-178.5-3400109.3I299I299-Q301 PolarHBondContact O-N 3.29Å; I299-Q301 VanDerWaalsContact O-N 3.15Å
302V40.1Very low43.9Very low112 Ų112146.6 Ų146.668%0.67979%0.791SS**  trans-93101.2163.8-177.30000107.5S300 Y304S300-V302 PolarHBondContact O-N 3.46Å; V302-Y304 HydrophobicContact CG1-CD2 4.39Å; V302-Y304 HydrophobicContact CG1-CE2 4.42Å; V302-Y304 PolarHBondContact O-N 3.04Å; V302-Y304 VanDerWaalsContact O-N 3.16Å
303T41.3Very low43.5Very low120 Ų120145.6 Ų145.674%0.73679%0.791SS**  trans-62.5107168.5-560000108.7D305T303-D305 PolarHBondContact O-N 3.41Å
304Y38.8Very low43.3Very low205 Ų205144.1 Ų144.180%0.80479%0.791SS**  trans-79.1103.4166.9-99.4-88.8000108.7V302 L306V302-Y304 HydrophobicContact CG1-CD2 4.39Å; V302-Y304 HydrophobicContact CG1-CE2 4.42Å; V302-Y304 PolarHBondContact O-N 3.04Å; V302-Y304 VanDerWaalsContact O-N 3.16Å; Y304-L306 PolarHBondContact O-N 3.1Å
305D39.6Very low43Very low146 Ų146145.8 Ų145.878%0.78180%0.799SS**  trans-67108.8165.9-113.1-35000108.7T303 N307T303-D305 PolarHBondContact O-N 3.41Å; D305-N307 PolarHBondContact O-N 3.2Å; D305-N307 VanDerWaalsContact O-N 3.14Å
306L45.4Very low43Very low169 Ų169145.5 Ų145.589%0.88580%0.799SS**  trans-87.563.1176.3-145.986.2000109.3Y304Y304-L306 PolarHBondContact O-N 3.1Å
307N44.7Very low42.8Very low157 Ų157144.3 Ų144.384%0.8480%0.801SS**  trans-145.6117.8173.4-153.116.2000112.2D305D305-N307 PolarHBondContact O-N 3.2Å; D305-N307 VanDerWaalsContact O-N 3.14Å
308G34.8Very low43.1Very low73 Ų73151 Ų15175%0.75383%0.829SS**  trans138.2102.6177.300000110.2
309G36.1Very low42.5Very low62 Ų62152.5 Ų152.564%0.63983%0.828SS**  98.8100.253.900000107.8N311G309-N311 PolarHBondContact O-N 3.07Å
310Y44.5Very low42Very low235 Ų235152.7 Ų152.792%0.92283%0.831SS**  trans-36.4125.3177.4-63-94.9000113.7
311N40.8Very low42.1Very low146 Ų146155.3 Ų155.378%0.78184%0.837SS**  trans-141.7108.4155.7-79.1-69.5000110.4G309 T313G309-N311 PolarHBondContact O-N 3.07Å; N311-T313 PolarHBondContact O-N 3.36Å
312K48.8Very low42.2Very low203 Ų203153.5 Ų153.588%0.88383%0.834SS**PPolyproline II helixtrans-60.2119.7160.6-86.9170.8158.7177.50108
313T40.3Very low42.3Very low134 Ų134156.1 Ų156.182%0.82284%0.844SS**PPolyproline II helixtrans-100124.8165.533.30000110.1N311N311-T313 PolarHBondContact O-N 3.36Å
314N42.7Very low42.4Very low153 Ų153158.5 Ų158.582%0.81885%0.851SS**PPolyproline II helixtrans-68.2145.4-177.8-70.4-78000111.4
315F42.2Very low42.7Very low211 Ų211155.1 Ų155.193%0.92586%0.855SS**PPolyproline II helixtrans-67.4132.3164.5-65.9-87000109.5
316S51.1Low42.9Very low115 Ų115155.8 Ų155.880%0.80486%0.86SS**  trans-112.6113164.4-165.90000107.6
317C41.3Very low42.7Very low124 Ų124154.8 Ų154.884%0.83886%0.858SS**  trans-84.9124.8164.4-80.40000108.1
318L45.4Very low42.5Very low244 Ų244154.5 Ų154.5100%1.27786%0.86SS**  trans-150.40146.6-96.5167.2000107.9

Retrieved 318 of 318 residues in 38.6 ms (Link to these results)