A0A087XCX7_POEFO Loading...

CACN subunit beta associated regulatory protein

AlphaFold DB , UniProt , Accession A0A087XCX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 900 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
1M39Very low37Very low237 Ų237152.5 Ų152.5100%1.16781%0.805SS**  0100.40-61.5139.182.900105.5
2S34.8Very low37.8Very low106 Ų106147.7 Ų147.774%0.74179%0.789SS**  64.3115.356-162.20000111.5
3N38.2Very low37.6Very low126 Ų126149.3 Ų149.367%0.67479%0.79SS**  cis-157.3144.1-7.4-120.4-26.2000112.7
4K39.7Very low37.4Very low190 Ų190148.8 Ų148.883%0.82679%0.787SS**  trans35.2126.8146.5-63.2170.3-174.6-176.60120.9
5S38.4Very low37.2Very low100 Ų100146.5 Ų146.570%0.69979%0.788SS**  trans-83.1167.1156.964.50000112.5
6T35.8Very low37.5Very low117 Ų117145.4 Ų145.472%0.71879%0.788SS**  trans49.698.7149.352.10000118.8
7V36.4Very low37.2Very low146 Ų146147.1 Ų147.189%0.88579%0.79SS**  trans-121.3137.61401740000107
8W39.3Very low37.4Very low198 Ų198146.3 Ų146.375%0.7578%0.784SS**  trans-81.3148.1178.9-72.357.6000110.8I10W8-I10 HydrophobicContact CE3-CD1 4.17Å; W8-I10 HydrophobicContact CE3-CG1 4.46Å; W8-I10 HydrophobicContact CZ3-CD1 3.98Å
9N32.3Very low37.5Very low164 Ų164144.4 Ų144.488%0.87778%0.78SS**  -159.2141.4126.8-97.5-31.5000109.6
10I34.8Very low37.7Very low136 Ų136144.8 Ų144.870%0.69778%0.781SS**  trans-98126.8179.1-68.6170000108.2W8W8-I10 HydrophobicContact CE3-CD1 4.17Å; W8-I10 HydrophobicContact CE3-CG1 4.46Å; W8-I10 HydrophobicContact CZ3-CD1 3.98Å
11L38.2Very low37.8Very low157 Ų157145.6 Ų145.682%0.82278%0.78SS**  trans-111.6139.1157.8-176.266.4000106.6
12P47Very low38.1Very low95 Ų95139.4 Ų139.462%0.61776%0.757SS**  -131.3133.8123.336.2-29.2000112.9
13E34.3Very low38.6Very low169 Ų169142.4 Ų142.479%0.7976%0.76SS**  44.9100.2128.7-58.4175.7144.600118.8
14N34.9Very low39.5Very low142 Ų142145 Ų14576%0.75977%0.767SS**  32108.8115.8178.224.6000117.3
15S34.4Very low40.4Very low115 Ų115142.6 Ų142.680%0.80476%0.759SS**  trans-145.2135.2139.8-77.10000109.3E17S15-E17 PolarHBondContact O-N 3.35Å
16T42.9Very low41.3Very low128 Ų128142 Ų14279%0.78575%0.753SS**  trans-56.4121.5-173.7-52.70000112.7
17E31.4Very low42.7Very low175 Ų175142 Ų14282%0.81875%0.748SS**  trans-104.4134.2163.6-167.8159.6-139.100109.4S15S15-E17 PolarHBondContact O-N 3.35Å
18I41.4Very low44.6Very low132 Ų132137.3 Ų137.368%0.67773%0.73SS**  trans-93.8145.6-174.3-60.7166.6000107.7L20I18-L20 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact O-N 3.11Å
19P39.1Very low46.6Very low110 Ų110134.7 Ų134.771%0.71473%0.726SS**  trans-57.4119.2171.5-21.633000110.3E21P19-E21 PolarHBondContact O-N 3.36Å; P19-E21 VanDerWaalsContact O-N 3.13Å
20L40.8Very low49.3Very low153 Ų153131 Ų13180%0.80171%0.709SS**  trans-74.1101.6166.6-82.591.1000108.4I18I18-L20 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact O-N 3.11Å
21E40.2Very low51.9Low162 Ų162129.7 Ų129.776%0.75770%0.703SS**  trans-50.2138.3154.6-73.8-68.5115.400109.3P19 E23P19-E21 PolarHBondContact O-N 3.36Å; P19-E21 VanDerWaalsContact O-N 3.13Å; E21-E23 PolarHBondContact O-N 3.14Å
22P44.9Very low54.4Low106 Ų106126.8 Ų126.869%0.68869%0.688SS**  trans-68.5114.4173.828.5-32.4000109.5E24P22-E24 VanDerWaalsContact C-N 3.33Å; P22-E24 PolarHBondContact O-N 3.49Å
23E46.9Very low56.6Low170 Ų170128.1 Ų128.179%0.79469%0.689SS**  trans-67.689173.6-171.7-177.2-173.800110E21 Q25E21-E23 PolarHBondContact O-N 3.14Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.49Å
24E56.4Low59.5Low179 Ų179124 Ų12484%0.83668%0.675SS**  trans-64.190.8171-69.9-163.2140.500110P22 P26P22-E24 VanDerWaalsContact C-N 3.33Å; P22-E24 PolarHBondContact O-N 3.49Å; E24-P26 WeakPolarHBondContact O-CD 3.43Å; E24-P26 VanDerWaalsContact O-N 3.09Å
25Q57.6Low62.3Low141 Ų141122 Ų12266%0.65966%0.664SS**  trans-59.4111.1-179.7-71.4-168.8-28.600111.4E23 D27E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.49Å; Q25-D27 VanDerWaalsContact C-N 3.25Å; Q25-D27 PolarHBondContact O-N 3.33Å
26P59Low65.2Low87 Ų87121.2 Ų121.257%0.56565%0.65SS**THydrogen-bonded Turntrans-73.1-21-175.130.5-35.5000112.6E24 G28 H29 V30E24-P26 WeakPolarHBondContact O-CD 3.43Å; E24-P26 VanDerWaalsContact O-N 3.09Å; P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 3.11Å; P26-H29 PolarHBondContact O-N 3.01Å; P26-H29 VanDerWaalsContact O-N 3.12Å; P26-V30 PolarHBondContact O-N 2.94Å
27D63.8Low67.7Low116 Ų116118 Ų11862%0.6263%0.632SS**Hα-helixtrans-60.7-30.7-170.7-65.6-17.7000113.8Q25 H29 V30 L31Q25-D27 VanDerWaalsContact C-N 3.25Å; Q25-D27 PolarHBondContact O-N 3.33Å; D27-H29 VanDerWaalsContact C-N 3.33Å; D27-H29 PolarHBondContact O-N 2.65Å; D27-V30 PolarHBondContact O-N 2.96Å; D27-L31 PolarHBondContact O-N 3.44Å
28G76.9Confident70.8Confident48 Ų48112.7 Ų112.750%0.49562%0.618SS.*Hα-helixtrans-62-39.9177.400000112.7P26 L32P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 3.11Å; G28-L32 WeakPolarHBondContact O-CB 3.43Å; G28-L32 PolarHBondContact O-N 3.24Å; G28-L32 VanDerWaalsContact O-N 3.07Å
29H81.4Confident73.4Confident144 Ų144113.5 Ų113.567%0.66762%0.617SS**Hα-helixtrans-73.2-36.6177.2-68.5-75.9000112P26 D27 L32 L33P26-H29 PolarHBondContact O-N 3.01Å; P26-H29 VanDerWaalsContact O-N 3.12Å; D27-H29 VanDerWaalsContact C-N 3.33Å; D27-H29 PolarHBondContact O-N 2.65Å; H29-L32 PolarHBondContact O-N 3.19Å; H29-L33 WeakPolarHBondContact O-CB 3.43Å; H29-L33 PolarHBondContact O-N 3.24Å
30V88.7Confident76.1Confident87 Ų87113.4 Ų113.453%0.52761%0.61SS.*Hα-helixtrans-63-46.1175-179.40000110.7P26 D27 L32 L33 V34P26-V30 PolarHBondContact O-N 2.94Å; D27-V30 PolarHBondContact O-N 2.96Å; V30-L32 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 2.95Å; V30-V34 WeakPolarHBondContact O-CG2 3.45Å; V30-V34 PolarHBondContact O-N 2.84Å
31L89.4Confident78.9Confident108 Ų108110.3 Ų110.357%0.56560%0.597SS**Hα-helixtrans-63.1-42.3177-178.960000111.9D27 L33 V34 I35D27-L31 PolarHBondContact O-N 3.44Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-V34 PolarHBondContact O-N 3.4Å; L31-I35 HydrophobicContact CD1-CD1 4.16Å; L31-I35 HydrophobicContact CD1-CG1 4.45Å; L31-I35 HydrophobicContact CG-CD1 4.01Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.96Å; L31-I35 PolarHBondContact O-N 3.25Å
32L90.7Very high81.6Confident96 Ų96104.1 Ų104.150%0.50358%0.577SS.*Hα-helixtrans-62.1-42.3175.8-172.169000111.6G28 H29 V30 I35 L36G28-L32 WeakPolarHBondContact O-CB 3.43Å; G28-L32 PolarHBondContact O-N 3.24Å; G28-L32 VanDerWaalsContact O-N 3.07Å; H29-L32 PolarHBondContact O-N 3.19Å; V30-L32 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 2.96Å
33L92.8Very high84.1Confident123 Ų123101.3 Ų101.364%0.64456%0.558SS**Hα-helixtrans-64.9-40177.6-164.174.4000111.8H29 V30 L31 L36 S37H29-L33 WeakPolarHBondContact O-CB 3.43Å; H29-L33 PolarHBondContact O-N 3.24Å; V30-L33 PolarHBondContact O-N 2.95Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-S37 WeakPolarHBondContact O-CB 3.12Å; L33-S37 PolarHBondContact O-N 3.1Å
34V95.4Very high86.5Confident83 Ų8398.2 Ų98.250%0.50355%0.547SS..Hα-helixtrans-61.7-47.3173.2169.40000110.8V30 L31 L36 S37 A38V30-V34 WeakPolarHBondContact O-CG2 3.45Å; V30-V34 PolarHBondContact O-N 2.84Å; L31-V34 PolarHBondContact O-N 3.4Å; V34-L36 PolarHBondContact O-N 3.4Å; V34-S37 PolarHBondContact O-N 3.26Å; V34-S37 PolarHBondContact O-OG 3.01Å; V34-A38 PolarHBondContact O-N 3.34Å
35I94.6Very high88.4Confident100 Ų10093.8 Ų93.851%0.51353%0.531SS..Hα-helixtrans-62.1-44.2177.9-68.4165.5000111.1L31 L32 A38 F39L31-I35 HydrophobicContact CD1-CD1 4.16Å; L31-I35 HydrophobicContact CD1-CG1 4.45Å; L31-I35 HydrophobicContact CG-CD1 4.01Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.96Å; L31-I35 PolarHBondContact O-N 3.25Å; L32-I35 PolarHBondContact O-N 2.91Å; I35-A38 PolarHBondContact O-N 2.87Å; I35-F39 PolarHBondContact O-N 2.89Å
36L95.6Very high90.3Very high97 Ų9790.7 Ų90.751%0.50853%0.526SS..Hα-helixtrans-61.9-42.5175.3-76.2166.9000111.8L32 L33 V34 A38 F39 L40L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 2.96Å; L33-L36 PolarHBondContact O-N 2.87Å; V34-L36 PolarHBondContact O-N 3.4Å; L36-A38 PolarHBondContact O-N 2.91Å; L36-F39 PolarHBondContact O-N 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 PolarHBondContact O-N 3.24Å
37S94.4Very high92.1Very high61 Ų6191 Ų9143%0.42752%0.522SS..Hα-helixtrans-64.2-40.1176.877.50000112.3L33 V34 F39 L40 V41L33-S37 WeakPolarHBondContact O-CB 3.12Å; L33-S37 PolarHBondContact O-N 3.1Å; V34-S37 PolarHBondContact O-N 3.26Å; V34-S37 PolarHBondContact O-OG 3.01Å; S37-F39 VanDerWaalsContact C-N 3.34Å; S37-F39 PolarHBondContact O-N 3.23Å; S37-L40 PolarHBondContact O-N 3.41Å; S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 WeakPolarHBondContact O-CG2 3.36Å; S37-V41 PolarHBondContact O-N 3.44Å
38A96.2Very high93.6Very high63 Ų6388.4 Ų88.452%0.52151%0.513SS..Hα-helixtrans-65.2-38.317600000111.7V34 I35 L36 G42V34-A38 PolarHBondContact O-N 3.34Å; I35-A38 PolarHBondContact O-N 2.87Å; L36-A38 PolarHBondContact O-N 2.91Å; A38-G42 PolarHBondContact O-N 2.87Å
39F96.6Very high94.6Very high149 Ų14990.1 Ų90.165%0.65451%0.513SS*.Hα-helixtrans-68.6-41173.8-169.5-97.8000112.3I35 L36 S37 G42 T43I35-F39 PolarHBondContact O-N 2.89Å; L36-F39 PolarHBondContact O-N 3.3Å; S37-F39 VanDerWaalsContact C-N 3.34Å; S37-F39 PolarHBondContact O-N 3.23Å; F39-G42 PolarHBondContact O-N 3.18Å; F39-T43 HydrophobicContact CD1-CG2 4.12Å; F39-T43 HydrophobicContact CE1-CG2 3.74Å; F39-T43 HydrophobicContact CE2-CG2 4.39Å; F39-T43 HydrophobicContact CZ-CG2 3.89Å; F39-T43 WeakPolarHBondContact O-CB 3.19Å; F39-T43 WeakPolarHBondContact O-CG2 3.5Å; F39-T43 PolarHBondContact O-N 2.84Å; F39-T43 PolarHBondContact O-OG1 3.09Å
40L96.9Very high95.3Very high109 Ų10989.7 Ų89.757%0.57151%0.51SS*.Hα-helixtrans-63.7-46.3176.4-16287.4000111.6L36 S37 T43 L44L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 PolarHBondContact O-N 3.24Å; S37-L40 PolarHBondContact O-N 3.41Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.04Å; L40-T43 PolarHBondContact O-OG1 3.45Å; L40-L44 HydrophobicContact CD2-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.29Å; L40-L44 WeakPolarHBondContact O-CB 3.32Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.32Å
41V97.7Very high95.6Very high87 Ų8790 Ų9053%0.52751%0.507SS..Hα-helixtrans-65.7-42.7175.51730000110.8S37 T43 L44 V45S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 WeakPolarHBondContact O-CG2 3.36Å; S37-V41 PolarHBondContact O-N 3.44Å; V41-T43 PolarHBondContact O-N 3.32Å; V41-L44 PolarHBondContact O-N 2.88Å; V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CB 3.28Å; V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.38Å; V41-V45 PolarHBondContact O-N 2.72Å
42G97.6Very high95.8Very high33 Ų3388.7 Ų88.734%0.3450%0.501SS..Hα-helixtrans-62.2-41177.400000113.2A38 F39 S46A38-G42 PolarHBondContact O-N 2.87Å; F39-G42 PolarHBondContact O-N 3.18Å; G42-S46 WeakPolarHBondContact O-CB 3.18Å; G42-S46 PolarHBondContact O-N 3.06Å; G42-S46 PolarHBondContact O-OG 3.06Å
43T97.1Very high96Very high47 Ų4787.8 Ų87.829%0.28850%0.499SS..Hα-helixtrans-70.6-42.4175.247.90000112F39 L40 V41 V45 S46 I47F39-T43 HydrophobicContact CD1-CG2 4.12Å; F39-T43 HydrophobicContact CE1-CG2 3.74Å; F39-T43 HydrophobicContact CE2-CG2 4.39Å; F39-T43 HydrophobicContact CZ-CG2 3.89Å; F39-T43 WeakPolarHBondContact O-CB 3.19Å; F39-T43 WeakPolarHBondContact O-CG2 3.5Å; F39-T43 PolarHBondContact O-N 2.84Å; F39-T43 PolarHBondContact O-OG1 3.09Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.04Å; L40-T43 PolarHBondContact O-OG1 3.45Å; V41-T43 PolarHBondContact O-N 3.32Å; T43-V45 PolarHBondContact O-N 2.93Å; T43-S46 WeakPolarHBondContact O-CB 3.42Å; T43-S46 PolarHBondContact O-N 2.7Å; T43-I47 WeakPolarHBondContact O-CB 3.46Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.28Å
44L97.5Very high95.8Very high105 Ų10583.8 Ų83.855%0.5548%0.48SS..Hα-helixtrans-59.9-42.8173.4-76167.6000112.6L40 V41 I47 S48L40-L44 HydrophobicContact CD2-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.29Å; L40-L44 WeakPolarHBondContact O-CB 3.32Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.32Å; V41-L44 PolarHBondContact O-N 2.88Å; L44-I47 PolarHBondContact O-N 3.46Å; L44-S48 VanDerWaalsContact O-CB 3.31Å; L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 2.85Å
45V97.6Very high95.4Very high85 Ų8589 Ų8952%0.51549%0.491SS..Hα-helixtrans-64.3-42.5173.8170.20000110.9V41 T43 S48 V49V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CB 3.28Å; V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.38Å; V41-V45 PolarHBondContact O-N 2.72Å; T43-V45 PolarHBondContact O-N 2.93Å; V45-S48 PolarHBondContact O-N 3.07Å; V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 WeakPolarHBondContact O-CG2 3.43Å; V45-V49 PolarHBondContact O-N 3.18Å
46S96.2Very high94.9Very high77 Ų7793 Ų9354%0.53850%0.5SS..Hα-helixtrans-63.3-43.2177.6-60.10000112.2G42 T43 V49 F50G42-S46 WeakPolarHBondContact O-CB 3.18Å; G42-S46 PolarHBondContact O-N 3.06Å; G42-S46 PolarHBondContact O-OG 3.06Å; T43-S46 WeakPolarHBondContact O-CB 3.42Å; T43-S46 PolarHBondContact O-N 2.7Å; S46-V49 PolarHBondContact O-N 2.96Å; S46-F50 VanDerWaalsContact O-CB 3.29Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 2.93Å
47I97Very high94Very high94 Ų9492.1 Ų92.148%0.48250%0.501SS..Hα-helixtrans-64.5-42.5174.8-68.7162.8000110.3T43 L44 F50 L51T43-I47 WeakPolarHBondContact O-CB 3.46Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.28Å; L44-I47 PolarHBondContact O-N 3.46Å; I47-F50 PolarHBondContact O-N 3.25Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CB 3.5Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.98Å
48S96.3Very high92.8Very high61 Ų6193.4 Ų93.443%0.42751%0.509SS..Hα-helixtrans-61.3-47176-176.70000112L44 V45 F50 L51 I52L44-S48 VanDerWaalsContact O-CB 3.31Å; L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 2.85Å; V45-S48 PolarHBondContact O-N 3.07Å; S48-F50 PolarHBondContact O-N 3.34Å; S48-L51 PolarHBondContact O-N 3.37Å; S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 WeakPolarHBondContact O-CD1 3.37Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.19Å; S48-I52 PolarHBondContact O-N 3.21Å
49V96.8Very high91.1Very high83 Ų8396 Ų9650%0.50352%0.522SS..Hα-helixtrans-62-44.1174.6171.50000111V45 S46 I52 V53V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 WeakPolarHBondContact O-CG2 3.43Å; V45-V49 PolarHBondContact O-N 3.18Å; S46-V49 PolarHBondContact O-N 2.96Å; V49-I52 PolarHBondContact O-N 3.43Å; V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.3Å; V49-V53 PolarHBondContact O-N 3.11Å
50F96.2Very high89.1Confident136 Ų13699.8 Ų99.860%0.59653%0.532SS*.Hα-helixtrans-59.8-47.6175.8-178-103.2000111.5S46 I47 S48 I52 V53 C54S46-F50 VanDerWaalsContact O-CB 3.29Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 2.93Å; I47-F50 PolarHBondContact O-N 3.25Å; S48-F50 PolarHBondContact O-N 3.34Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.48Å; F50-V53 CarbonylContact O-C 3.58Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.16Å; F50-C54 VanDerWaalsContact CE1-SG 3.53Å; F50-C54 VanDerWaalsContact CZ-SG 3.51Å; F50-C54 WeakPolarHBondContact O-CB 3.31Å; F50-C54 PolarHBondContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 3.22Å; F50-C54 VanDerWaalsContact O-SG 3.34Å
51L94.8Very high86.9Confident92 Ų9296.5 Ų96.548%0.48252%0.524SS..Hα-helixtrans-63.5-34.7176.4-71.4172.6000112.7I47 S48 R55I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CB 3.5Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.98Å; S48-L51 PolarHBondContact O-N 3.37Å; L51-R55 VanDerWaalsContact O-CB 3.32Å; L51-R55 WeakPolarHBondContact O-CB 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.04Å
52I94.5Very high84.6Confident82 Ų8295.2 Ų95.242%0.42153%0.528SS..Hα-helixtrans-69.1-38.7173.7-70.4163.8000111.3S48 V49 F50 R56S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 WeakPolarHBondContact O-CD1 3.37Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.19Å; S48-I52 PolarHBondContact O-N 3.21Å; V49-I52 PolarHBondContact O-N 3.43Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.48Å; I52-R56 VanDerWaalsContact CG2-NH1 3.3Å; I52-R56 WeakPolarHBondContact O-CB 3.39Å; I52-R56 WeakPolarHBondContact O-CG 3.45Å; I52-R56 PolarHBondContact O-N 3.13Å
53V93.8Very high82.3Confident76 Ų76104.7 Ų104.746%0.46155%0.554SS.*Hα-helixtrans-68.3-48.1174.2170.40000110.4V49 F50 R55 R56 C57V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.3Å; V49-V53 PolarHBondContact O-N 3.11Å; F50-V53 CarbonylContact O-C 3.58Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.16Å; V53-R55 PolarHBondContact O-N 2.75Å; V53-R56 CarbonylContact O-C 3.51Å; V53-R56 WeakPolarHBondContact O-CA 3.47Å; V53-R56 WeakPolarHBondContact O-CB 3.34Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.08Å; V53-C57 WeakPolarHBondContact O-CB 3.31Å; V53-C57 PolarHBondContact O-N 3.34Å; V53-C57 PolarHBondContact O-SG 3.2Å; V53-C57 VanDerWaalsContact O-SG 3.34Å
54C89Confident80.1Confident39 Ų39110 Ų11026%0.26458%0.58SS.*Hα-helixtrans-57.9-47.1174.6-72.60000111.6F50 R56 C57 C58F50-C54 VanDerWaalsContact CE1-SG 3.53Å; F50-C54 VanDerWaalsContact CZ-SG 3.51Å; F50-C54 WeakPolarHBondContact O-CB 3.31Å; F50-C54 PolarHBondContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 3.22Å; F50-C54 VanDerWaalsContact O-SG 3.34Å; C54-R56 VanDerWaalsContact C-N 3.33Å; C54-R56 PolarHBondContact O-N 3.18Å; C54-C57 PolarHBondContact O-N 3.27Å; C54-C57 VanDerWaalsContact O-N 3.16Å; C54-C58 WeakPolarHBondContact O-CB 3.43Å; C54-C58 PolarHBondContact O-N 3.41Å; C54-C58 PolarHBondContact O-SG 3.38Å
55R87Confident77.7Confident194 Ų194110.3 Ų110.373%0.73259%0.589SS**Hα-helixtrans-59.3-42172.9-77-177.2176.2-153-2.2111.7L51 V53 C57 C59L51-R55 VanDerWaalsContact O-CB 3.32Å; L51-R55 WeakPolarHBondContact O-CB 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.04Å; V53-R55 PolarHBondContact O-N 2.75Å; R55-C57 PolarHBondContact O-N 3.31Å; R55-C59 WeakPolarHBondContact O-CB 3.25Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 3.16Å
56R84.1Confident75.2Confident183 Ų183113.4 Ų113.469%0.69160%0.603SS**Hα-helixtrans-65.8-32.6175-81.8-177.3156.898.2-0.4114I52 V53 C54 R60I52-R56 VanDerWaalsContact CG2-NH1 3.3Å; I52-R56 WeakPolarHBondContact O-CB 3.39Å; I52-R56 WeakPolarHBondContact O-CG 3.45Å; I52-R56 PolarHBondContact O-N 3.13Å; V53-R56 CarbonylContact O-C 3.51Å; V53-R56 WeakPolarHBondContact O-CA 3.47Å; V53-R56 WeakPolarHBondContact O-CB 3.34Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.08Å; C54-R56 VanDerWaalsContact C-N 3.33Å; C54-R56 PolarHBondContact O-N 3.18Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å
57C76.4Confident72.9Confident79 Ų79121 Ų12153%0.53462%0.62SS.*Hα-helixtrans-76.3-49.8175.7-700000111.3V53 C54 R55 R60 G61V53-C57 WeakPolarHBondContact O-CB 3.31Å; V53-C57 PolarHBondContact O-N 3.34Å; V53-C57 PolarHBondContact O-SG 3.2Å; V53-C57 VanDerWaalsContact O-SG 3.34Å; C54-C57 PolarHBondContact O-N 3.27Å; C54-C57 VanDerWaalsContact O-N 3.16Å; R55-C57 PolarHBondContact O-N 3.31Å; C57-R60 CarbonylContact O-C 3.47Å; C57-R60 WeakPolarHBondContact O-CA 3.37Å; C57-R60 PolarHBondContact O-N 3.32Å; C57-G61 PolarHBondContact O-N 2.95Å
58C69.6Low70.4Confident88 Ų88121.1 Ų121.160%0.59564%0.635SS**Hα-helixtrans-64.4-43.6179-62.50000112C54 R60 G61 G62C54-C58 WeakPolarHBondContact O-CB 3.43Å; C54-C58 PolarHBondContact O-N 3.41Å; C54-C58 PolarHBondContact O-SG 3.38Å; C58-R60 PolarHBondContact O-N 3.29Å; C58-R60 VanDerWaalsContact O-N 3.08Å; C58-G61 PolarHBondContact O-N 3.38Å; C58-G61 VanDerWaalsContact O-N 3.15Å; C58-G62 WeakPolarHBondContact O-CA 3.34Å; C58-G62 PolarHBondContact O-N 2.98Å
59C59.4Low68.2Low117 Ų117125.4 Ų125.479%0.79165%0.653SS**Hα-helixtrans-66.3-9.3172.9-64.10000113.9R55R55-C59 WeakPolarHBondContact O-CB 3.25Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 3.16Å
60R55.6Low65.4Low229 Ų229128.9 Ų128.986%0.86467%0.669SS**Hα-helixtrans-103.6-24.7172.5-165174.9-175.5-169.6-0.4113.1R56 C57 C58R56-R60 WeakPolarHBondContact O-CB 3.44Å; C57-R60 CarbonylContact O-C 3.47Å; C57-R60 WeakPolarHBondContact O-CA 3.37Å; C57-R60 PolarHBondContact O-N 3.32Å; C58-R60 PolarHBondContact O-N 3.29Å; C58-R60 VanDerWaalsContact O-N 3.08Å
61G50.3Low62.5Low40 Ų40129.2 Ų129.241%0.41268%0.677SS.*Hα-helixtrans-98-11.1178.400000115.2C57 C58 R63C57-G61 PolarHBondContact O-N 2.95Å; C58-G61 PolarHBondContact O-N 3.38Å; C58-G61 VanDerWaalsContact O-N 3.15Å; G61-R63 PolarHBondContact O-N 3.35Å
62G50.2Low60.5Low59 Ų59130.4 Ų130.461%0.60869%0.69SS**THydrogen-bonded Turntrans-68.158.4179.700000114.3C58C58-G62 WeakPolarHBondContact O-CA 3.34Å; C58-G62 PolarHBondContact O-N 2.98Å
63R49.5Very low58Low232 Ų232134.9 Ų134.988%0.87571%0.709SS**THydrogen-bonded Turntrans-147.912.4171.4-152.2-176.8-69.1-89.50.9111.9G61G61-R63 PolarHBondContact O-N 3.35Å
64L50.8Low55.5Low160 Ų160140.4 Ų140.484%0.83873%0.727SS**SBendtrans-138.2-1.4-173.1-72.6175.3000115
65C47.7Very low53Low111 Ų111144.1 Ų144.175%0.7575%0.749SS**SBendtrans-124.719.8-171.1-60.80000115
66D43.6Very low50.5Low150 Ų150140 Ų14080%0.80276%0.755SS**  trans-111.758.6173.1-63.4-58.4000110.8
67R48.4Very low48.4Very low236 Ų236137 Ų13789%0.89176%0.76SS**  trans-158.543.6172.4-143.9179.1-172.983.24.2116.2
68A44Very low46.1Very low96 Ų96142.8 Ų142.879%0.79377%0.772SS**SBendtrans-162.9137160.900000106
69D51Low44.4Very low151 Ų151144.1 Ų144.181%0.80777%0.771SS**  cis-152.9128.1-1.6-170.230.4000107.7
70D37.6Very low43Very low157 Ų157146.5 Ų146.584%0.8477%0.77SS**  trans-163.598.8-178.8-104.2-45.1000109.5
71D35.9Very low41.8Very low142 Ų142144.4 Ų144.476%0.75977%0.77SS**  trans-135.379.9172.4-176.219000109.8E73D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 3.29Å
72P51.3Low40.9Very low117 Ų117148.1 Ų148.176%0.7679%0.79SS**  trans-88.428.8-169.136-36.8000114.6
73E43.3Very low39.7Very low177 Ų177154 Ų15483%0.82780%0.802SS**  trans-109.859.7-179.6-72.3-163.7-168.700114.3D71D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 3.29Å
74K41.6Very low39.4Very low192 Ų192147.1 Ų147.184%0.83579%0.787SS**  trans-152.2136.8161.8-142171.8-176.2172.70117
75T36.3Very low38.3Very low117 Ų117145.6 Ų145.672%0.71879%0.785SS**  trans79.470.1162.4-22.90000116.8P77T75-P77 WeakPolarHBondContact O-CD 3.44Å
76A33Very low37.8Very low106 Ų106146 Ų14688%0.87679%0.785SS**  trans-89117.1145.600000108.9
77P41.3Very low37Very low120 Ų120147.9 Ų147.978%0.77979%0.79SS**  trans-93.8131.1169.933.9-29.1000111T75T75-P77 WeakPolarHBondContact O-CD 3.44Å
78Y28.3Very low36.1Very low201 Ų201144.2 Ų144.279%0.78879%0.786SS**  trans-142.9154.8173.4-178.9-120.9000108.1
79M33.2Very low35.3Very low116 Ų116145.9 Ų145.957%0.57179%0.786SS**  trans71.9145.5-175.5-43.3-81.255.600115.1
80E29.8Very low34.4Very low167 Ų167146.3 Ų146.378%0.7879%0.787SS**  cis-155.5167.7-30.1-157.9166.9152.600108.1
81E31.6Very low33.8Very low185 Ų185147.8 Ų147.886%0.86479%0.786SS**  trans-90.1130.7-171.1-174.9171.1-179.600113.4
82S30Very low33.6Very low119 Ų119148.2 Ų148.283%0.83279%0.788SS**  trans-168.1150.8154.626.90000113
83Q25.8Very low32.5Very low183 Ų183148.9 Ų148.986%0.85579%0.785SS**  trans-147.7175.4-176.5-109-162.83800108.2
84P43.7Very low31.7Very low86 Ų86148.5 Ų148.556%0.55878%0.783SS**  cis-139176.7-16.832.4-12.4000115.2
85T26.2Very low31.2Very low129 Ų129144 Ų14479%0.79178%0.775SS**  trans62.6165.7148.649.60000120.5
86P38.8Very low30.8Very low118 Ų118145.6 Ų145.677%0.76678%0.78SS**  -132.5-172.6-5240.1-24.3000111.7
87E25.3Very low30.6Very low191 Ų191145.5 Ų145.589%0.89377%0.772SS**  trans154.3162.1138.2-168.8149.6-133.900111.5
88I29.7Very low30Very low158 Ų158147.2 Ų147.281%0.8177%0.773SS**  trans-115.6131.1-165.5-61.6165.8000110.4
89T27.7Very low30Very low131 Ų131142.3 Ų142.380%0.80477%0.769SS**  trans-123.392.3-177.7-44.30000113.2
90I32.1Very low29.6Very low160 Ų160145 Ų14582%0.82178%0.781SS**  trans-143.693155.6-52.1-179.7000111
91K25.2Very low29.6Very low189 Ų189141.8 Ų141.882%0.82278%0.784SS**  trans-152.9131.5139.3-71-150.9177.7-1740105.3
92L32.2Very low29.4Very low151 Ų151138 Ų13879%0.79178%0.777SS**  75.2147.760.4-162.7141.4000111.5
93D27.1Very low29.3Very low130 Ų130137.5 Ų137.570%0.69577%0.774SS**  trans68.5122.3-149.9-64.23.1000112.1
94E27.1Very low29.4Very low169 Ų169137.6 Ų137.679%0.7978%0.775SS**  cis93.3107.941.5-72.7-167.6-158.400113.8
95S30.1Very low28.8Very low97 Ų97140.5 Ų140.568%0.67879%0.785SS**  trans72.3133.3137.1-51.50000121.6
96D29.4Very low29Very low152 Ų152141.2 Ų141.281%0.81378%0.779SS**  trans80.3144.8139.3-72.9-14.2000124.4
97C27.8Very low28.6Very low104 Ų104142.4 Ų142.470%0.70378%0.775SS**  trans74.490.8151.3-720000122.4
98L28.4Very low29.1Very low156 Ų156137.9 Ų137.982%0.81776%0.761SS**  60.1121.8109.1-67.2170.7000121.7
99S29.2Very low29.5Very low98 Ų98135.5 Ų135.569%0.68575%0.746SS**  89.2132.9127.2-67.80000123.5
100M24.3Very low29.9Very low171 Ų171137.3 Ų137.384%0.84274%0.738SS**  trans68100.9139.6-69.7-178.86200122.3
101A29.1Very low30Very low100 Ų100137.4 Ų137.483%0.82673%0.733SS**  26.7117118.800000121.2
102S28.2Very low30.6Very low105 Ų105135.3 Ų135.373%0.73473%0.73SS**  trans-157.2113.1146.4-176.10000107.1
103S28.9Very low30.6Very low110 Ų110132.7 Ų132.777%0.76972%0.724SS**  77.2109.568.795.80000114.6
104H27.3Very low30.9Very low185 Ų185133.1 Ų133.186%0.85673%0.732SS**  trans-142.2138.8151.9-167.966000107.6
105N30.6Very low31.1Very low146 Ų146128.5 Ų128.578%0.78173%0.729SS**  trans-159.5127.5-166.1173.235.1000109.7
106Q31.4Very low31.9Very low144 Ų144129.5 Ų129.567%0.67373%0.734SS**  trans-153.7109.3168.6-169.2143.341.700111.6
107E30.4Very low32Very low143 Ų143129 Ų12967%0.66874%0.736SS**  trans51.9147.3134.9-60.5-179.5102.600120.3
108T34.7Very low32.2Very low97 Ų97127.4 Ų127.460%0.59574%0.737SS**  cis-158.7172.518.5-14.80000111.7
109E37.6Very low32.6Very low108 Ų108131.8 Ų131.851%0.50574%0.743SS.*  trans58.9116.2170.9-50.1-44.6127.300117.4
110R37.2Very low33.1Very low169 Ų169138.4 Ų138.464%0.63875%0.753SS**  62130.754.7-47.1177.6-148.3119.57.5111.8
111F34.5Very low33.8Very low162 Ų162135.5 Ų135.571%0.71175%0.745SS**  cis-156.3155.832.7-81.8-84000114.4
112L38Very low34.3Very low145 Ų145136.1 Ų136.176%0.75974%0.743SS**  trans58113.9146.7-63.1168.9000120.1
113S32.2Very low34.7Very low96 Ų96140.2 Ų140.267%0.67175%0.748SS**  84.4138.179.6-65.90000114.3
114T31.6Very low35Very low139 Ų139140.9 Ų140.985%0.85374%0.742SS**  cis-157.9170.33.84.10000110.7
115G31.8Very low35.9Very low71 Ų71141.2 Ų141.273%0.73274%0.744SS**  trans-78.5-14518000000115.6
116P46.8Very low36.5Very low119 Ų119137.9 Ų137.977%0.77374%0.738SS**  cis-145.5-16516.942.3-20.8000116.6
117T31.1Very low37.1Very low140 Ų140135.3 Ų135.386%0.85974%0.741SS**  trans85.4135164.2-30.10000116.8
118G32.3Very low37.6Very low71 Ų71136.5 Ų136.573%0.73275%0.751SS**  trans-154-175174.300000111.7
119R37Very low38.1Very low249 Ų249141 Ų14194%0.9476%0.763SS**  trans-148.2132172-155.4170.2-171.5162.42111
120R41.1Very low38.4Very low237 Ų237141.5 Ų141.589%0.89477%0.768SS**  trans-73135.6173.1-71.3168.8151.6-164.1-7110.5
121V37.3Very low38.7Very low110 Ų110143.3 Ų143.367%0.66778%0.784SS**  trans-140.3108136.3-170.10000108F123V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD2 3.84Å; V121-F123 HydrophobicContact CG1-CE1 4.31Å; V121-F123 HydrophobicContact CG1-CE2 3.4Å; V121-F123 VanDerWaalsContact CG1-CE2 3.4Å; V121-F123 HydrophobicContact CG1-CG 4.47Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å
122S41Very low39.1Very low113 Ų113139.1 Ų139.179%0.7979%0.786SS**  trans-88.2114.216750.30000108.3
123F35.3Very low39.6Very low190 Ų190140.1 Ų140.183%0.83378%0.784SS**  trans-83137168.7-77.9-76.3000110.1V121V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD2 3.84Å; V121-F123 HydrophobicContact CG1-CE1 4.31Å; V121-F123 HydrophobicContact CG1-CE2 3.4Å; V121-F123 VanDerWaalsContact CG1-CE2 3.4Å; V121-F123 HydrophobicContact CG1-CG 4.47Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å
124N36.8Very low40.4Very low124 Ų124144.8 Ų144.866%0.66379%0.793SS**  trans-93.2114.3-168.6-179.918000110.5A126N124-A126 PolarHBondContact O-N 3.49Å; N124-A126 WeakPolarHBondContact OD1-CB 3.4Å; N124-A126 PolarHBondContact OD1-N 3.31Å
125E44.7Very low41Very low192 Ų192144.7 Ų144.790%0.89779%0.792SS**G310 helixtrans-74.3-4.1-177.7-157.1163.3-144.500113.5A127E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.38Å
126A42.9Very low41.5Very low77 Ų77149.8 Ų149.864%0.63680%0.797SS**G310 helixtrans-80.28.5179.100000115.4N124N124-A126 PolarHBondContact O-N 3.49Å; N124-A126 WeakPolarHBondContact OD1-CB 3.4Å; N124-A126 PolarHBondContact OD1-N 3.31Å
127A44Very low41Very low90 Ų90150.7 Ų150.774%0.74479%0.791SS**G310 helixtrans-99.34.2-170.500000115.7E125E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.38Å
128L41.4Very low41.8Very low167 Ų167152.4 Ų152.487%0.87479%0.787SS**SBendtrans-122.312.1-175.4-125.2159.5000113.8
129F45.5Very low42.9Very low193 Ų193152.7 Ų152.785%0.84679%0.789SS**SBendtrans-126.125.9-168.4-129.8-79.9000116
130D44.7Very low43.5Very low117 Ų117149.8 Ų149.863%0.62678%0.778SS**SBendtrans-146.159.9173.8-132.4-4.9000116K133D130-K133 IonicContact OD1-NZ 3.42Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å
131H43.1Very low44.4Very low207 Ų207149.3 Ų149.396%0.95878%0.776SS**SBendtrans-146.766.7155.1-90.4-45.1000111.3
132G42.3Very low45.5Very low74 Ų74154.6 Ų154.676%0.76379%0.786SS**  trans-140.111.8-176.300000116.6
133K49.5Very low46.7Very low166 Ų166155 Ų15572%0.72278%0.784SS**  trans-112.574.4-171.1-65.7170.6-171.1134.90113D130D130-K133 IonicContact OD1-NZ 3.42Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å
134K48.2Very low48.2Very low194 Ų194151.3 Ų151.384%0.84377%0.772SS**SBendtrans-171.7127.4154.1-101.4143.9-171.3177.10111.5
135T44.2Very low49.7Very low138 Ų138149.5 Ų149.585%0.84777%0.766SS**  trans44.5108.6162.549.10000119.2E137T135-E137 PolarHBondContact O-N 3.19Å; T135-E137 VanDerWaalsContact O-N 3.12Å
136Q43.4Very low50.7Low178 Ų178148 Ų14883%0.83276%0.758SS**  trans-67.692.3172-177.7-170.953.700112.6K138Q136-K138 PolarHBondContact O-N 2.97Å
137E36.1Very low51.9Low138 Ų138146 Ų14665%0.64575%0.746SS**  trans-69.6125.1166.4-170.7175.4171.800109.6T135 R140T135-E137 PolarHBondContact O-N 3.19Å; T135-E137 VanDerWaalsContact O-N 3.12Å; E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.18Å; E137-R140 PolarHBondContact OE1-NE 3.44Å; E137-R140 IonicContact OE1-NH2 3.23Å; E137-R140 PolarHBondContact OE1-NH2 3.07Å
138K46.3Very low53.2Low176 Ų176145 Ų14577%0.76573%0.728SS**  trans-69.4137.8-177.5-78.5174.2174.7171.90111.2Q136 R140Q136-K138 PolarHBondContact O-N 2.97Å; K138-R140 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact O-N 3.08Å
139G55.8Low54.4Low76 Ų76142.7 Ų142.778%0.78471%0.711SS**  trans-53.3109.2-165.600000115.3R141G139-R141 PolarHBondContact O-N 3.07Å
140R50.3Low55.1Low189 Ų189139.1 Ų139.171%0.71370%0.697SS**  trans-70.1121.8160.6-62.3-177.5-172.2-130.61.3108.3E137 K138 Y142E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.18Å; E137-R140 PolarHBondContact OE1-NE 3.44Å; E137-R140 IonicContact OE1-NH2 3.23Å; E137-R140 PolarHBondContact OE1-NH2 3.07Å; K138-R140 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact O-N 3.08Å; R140-Y142 PolarHBondContact O-N 3.05Å
141R60.3Low55.7Low227 Ų227140.5 Ų140.586%0.85770%0.699SS**  trans-73.7114.1170.9-56.7-176.8-164.8-174.25107.9G139 T143G139-R141 PolarHBondContact O-N 3.07Å; R141-T143 PolarHBondContact O-N 3Å
142Y60.2Low56.5Low220 Ų220136.5 Ų136.586%0.86368%0.684SS**  trans-66.6102.2168.6-66.9-83.5000108.7R140 L144R140-Y142 PolarHBondContact O-N 3.05Å; Y142-L144 PolarHBondContact O-N 3.46Å
143T65.2Low57.2Low121 Ų121141.8 Ų141.874%0.74269%0.686SS**  trans-80.9108.4171.650.20000108.7R141 T145R141-T143 PolarHBondContact O-N 3Å; T143-T145 PolarHBondContact O-N 3.16Å
144L66.5Low57.2Low114 Ų114140 Ų14060%0.59769%0.685SS**  trans-56.5128.9173.8-61.8177.7000110Y142 D148 F149Y142-L144 PolarHBondContact O-N 3.46Å; L144-D148 HydrophobicContact CB-CB 4.23Å; L144-D148 HydrophobicContact CD2-CB 4.08Å; L144-F149 HydrophobicContact CB-CE2 4.19Å
145T69Low57.4Low85 Ų85134 Ų13452%0.52167%0.671SS.*  trans-85.7166.1176.970.20000110.5T143 G147 D148 F149T143-T145 PolarHBondContact O-N 3.16Å; T145-G147 PolarHBondContact O-N 3.34Å; T145-G147 VanDerWaalsContact O-N 3.12Å; T145-D148 WeakPolarHBondContact CA-OD2 3.37Å; T145-D148 WeakPolarHBondContact CB-OD2 3.42Å; T145-D148 PolarHBondContact N-OD2 3.09Å; T145-D148 PolarHBondContact O-N 3.19Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å
146E64.8Low57.6Low160 Ų160138.3 Ų138.375%0.74867%0.672SS**Hα-helixtrans-58.9-26.1178.7-166.8170.9171.900113.1H150E146-H150 PolarHBondContact O-ND1 3.49Å
147G68.6Low57.9Low36 Ų36138 Ų13837%0.37168%0.675SS.*Hα-helixtrans-68.7-36.2173.200000113.7T145 F149 H150 H151T145-G147 PolarHBondContact O-N 3.34Å; T145-G147 VanDerWaalsContact O-N 3.12Å; G147-F149 VanDerWaalsContact C-N 3.28Å; G147-F149 PolarHBondContact O-N 3.44Å; G147-H150 WeakPolarHBondContact O-CB 3.4Å; G147-H150 PolarHBondContact O-N 2.89Å; G147-H151 PolarHBondContact O-CD2 3.46Å
148D72.8Confident58.3Low68 Ų68137.1 Ų137.136%0.36468%0.679SS.*Hα-helixtrans-65.5-34.6-177.7-59.5-60.6000111.6L144 T145 H150 H151 L152L144-D148 HydrophobicContact CB-CB 4.23Å; L144-D148 HydrophobicContact CD2-CB 4.08Å; T145-D148 WeakPolarHBondContact CA-OD2 3.37Å; T145-D148 WeakPolarHBondContact CB-OD2 3.42Å; T145-D148 PolarHBondContact N-OD2 3.09Å; T145-D148 PolarHBondContact O-N 3.19Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; D148-H150 PolarHBondContact O-N 3.31Å; D148-H151 PolarHBondContact O-N 2.95Å; D148-L152 PolarHBondContact O-N 3.5Å
149F65.4Low58Low119 Ų119136 Ų13652%0.52268%0.681SS.*Hα-helixtrans-62.7-27.5172.1-70.4-86000113.3L144 T145 G147 K153L144-F149 HydrophobicContact CB-CE2 4.19Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å; G147-F149 VanDerWaalsContact C-N 3.28Å; G147-F149 PolarHBondContact O-N 3.44Å; F149-K153 VanDerWaalsContact O-CB 3.25Å; F149-K153 WeakPolarHBondContact O-CB 3.23Å; F149-K153 PolarHBondContact O-N 3.34Å
150H60.6Low57.3Low119 Ų119139.4 Ų139.455%0.55168%0.681SS**Hα-helixtrans-73.2-31177.2-72.559.5000111.9E146 G147 D148 N154E146-H150 PolarHBondContact O-ND1 3.49Å; G147-H150 WeakPolarHBondContact O-CB 3.4Å; G147-H150 PolarHBondContact O-N 2.89Å; D148-H150 PolarHBondContact O-N 3.31Å; H150-N154 PolarHBondContact O-ND2 3.49Å
151H56.3Low56.8Low145 Ų145137.8 Ų137.867%0.67169%0.687SS**Hα-helixtrans-74.4-43.8171.7-66.1-74.8000111G147 D148 K153 N154 A155G147-H151 PolarHBondContact O-CD2 3.46Å; D148-H151 PolarHBondContact O-N 2.95Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.78Å; H151-N154 PolarHBondContact O-N 3.26Å; H151-N154 VanDerWaalsContact O-N 3.12Å; H151-A155 PolarHBondContact O-N 3.45Å
152L61.8Low55.9Low124 Ų124133.4 Ų133.465%0.64968%0.679SS**Hα-helixtrans-64.1-36.6179.2-155.970.4000112.8D148 N154 A155D148-L152 PolarHBondContact O-N 3.5Å; L152-N154 PolarHBondContact O-N 2.85Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.49Å
153K56Low54.8Low184 Ų184128 Ų12880%0.867%0.671SS**THydrogen-bonded Turntrans-68.3-21175.8-171.4172.3-178.8178.30113.8F149 H151F149-K153 VanDerWaalsContact O-CB 3.25Å; F149-K153 WeakPolarHBondContact O-CB 3.23Å; F149-K153 PolarHBondContact O-N 3.34Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.78Å
154N49.5Very low53.4Low130 Ų130128 Ų12870%0.69567%0.673SS**THydrogen-bonded Turntrans-91.9-7.7175.4-74.6-50.6000113.2H150 H151 L152 R156H150-N154 PolarHBondContact O-ND2 3.49Å; H151-N154 PolarHBondContact O-N 3.26Å; H151-N154 VanDerWaalsContact O-N 3.12Å; L152-N154 PolarHBondContact O-N 2.85Å; N154-R156 PolarHBondContact O-N 2.9Å
155A52.5Low51.9Low68 Ų68128 Ų12856%0.56268%0.68SS**  trans-72.470.7170.100000110.9H151 L152 L157H151-A155 PolarHBondContact O-N 3.45Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.49Å; A155-L157 PolarHBondContact O-N 2.99Å; A155-L157 VanDerWaalsContact O-N 3.1Å
156R47.8Very low50.3Low227 Ų227128.9 Ų128.986%0.85770%0.696SS**  trans-60.3112.1170.5-77.1-179.6166.9-177.2-4.8109.2N154 T158N154-R156 PolarHBondContact O-N 2.9Å; R156-T158 PolarHBondContact O-N 3.4Å
157L50.6Low49Very low171 Ų171129.1 Ų129.190%0.89570%0.701SS**  trans-58.3103.3165.9-71.9168000108.9A155 N159A155-L157 PolarHBondContact O-N 2.99Å; A155-L157 VanDerWaalsContact O-N 3.1Å; L157-N159 PolarHBondContact O-N 2.97Å
158T44.1Very low47.4Very low121 Ų121136.5 Ų136.574%0.74272%0.723SS**  trans-70.1124.1169.947.40000108.6R156 L160R156-T158 PolarHBondContact O-N 3.4Å; T158-L160 PolarHBondContact O-N 2.87Å
159N40.6Very low45.8Very low151 Ų151141 Ų14181%0.80775%0.745SS**  trans-51.5111.8-172.8-58.8-68.1000112.6L157 N161L157-N159 PolarHBondContact O-N 2.97Å; N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.16Å
160L40.2Very low44.4Very low149 Ų149140.5 Ų140.578%0.7875%0.752SS**  trans-78.790.9162.8-70.1176.7000108.2T158 I162T158-L160 PolarHBondContact O-N 2.87Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 HydrophobicContact CB-CG1 4.41Å; L160-I162 PolarHBondContact O-N 2.95Å
161N39.3Very low43.6Very low154 Ų154141 Ų14182%0.82476%0.763SS**  trans-67.590169-90.65000109.5N159N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.16Å
162I41.8Very low42.9Very low136 Ų136141.8 Ų141.870%0.69777%0.771SS**  trans-95.5114.5169.1-58174.8000107.3L160L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 HydrophobicContact CB-CG1 4.41Å; L160-I162 PolarHBondContact O-N 2.95Å
163P37.3Very low41.8Very low106 Ų106143.2 Ų143.269%0.68877%0.774SS**PPolyproline II helixtrans-70.6135.7174.529.3-32.9000109.8
164P35.9Very low41.3Very low121 Ų121143.1 Ų143.179%0.78678%0.776SS**PPolyproline II helixtrans-68.7126.218027-33.4000110.7A166P164-A166 PolarHBondContact O-N 3.48Å
165P36.2Very low40.4Very low114 Ų114141.4 Ų141.474%0.7477%0.774SS**PPolyproline II helixtrans-71.8126.9174.929.1-33000110.1L167P165-L167 PolarHBondContact O-N 3.03Å
166A34.5Very low39.3Very low104 Ų104144.5 Ų144.586%0.8678%0.781SS**  trans-73.3115.9177.900000110.8P164P164-A166 PolarHBondContact O-N 3.48Å
167L36.9Very low38.5Very low164 Ų164138.8 Ų138.886%0.85978%0.776SS**  trans-118.3145.9166.8-71.8177.7000110.4P165P165-L167 PolarHBondContact O-N 3.03Å
168K35.9Very low37.7Very low191 Ų191134.2 Ų134.283%0.8376%0.763SS**  trans-120.799.4-158.2178.1-172.5177.3-174.70109.5
169I37.9Very low37.1Very low163 Ų163137.3 Ų137.384%0.83677%0.769SS**  trans-105.1135.7171.8-60.1179.7000108
170V37.3Very low36.8Very low109 Ų109137.5 Ų137.566%0.66177%0.77SS**PPolyproline II helixtrans-99.8116.1-174.6177.30000109.3I172V170-I172 HydrophobicContact CG1-CG1 4.25Å
171T42.3Very low36.2Very low129 Ų129135.8 Ų135.879%0.79177%0.765SS**PPolyproline II helixtrans-96.5124163.149.70000109.1
172I43.3Very low35.9Very low162 Ų162136.6 Ų136.683%0.83177%0.768SS**PPolyproline II helixtrans-82.8161.7171.9-57.6178.9000108.5V170V170-I172 HydrophobicContact CG1-CG1 4.25Å
173H36.9Very low35.5Very low153 Ų153135.9 Ų135.971%0.70877%0.77SS**  trans-131.4131.3-150.5-173.7-61.6000111.8
174E45.9Very low35.1Very low182 Ų182136.4 Ų136.485%0.8578%0.776SS**  trans-172.3113.6159.9-103150.5-148.400106.4
175C31Very low34.9Very low95 Ų95136 Ų13664%0.64277%0.771SS**  75.3132.486.7-65.30000113.2
176D28.9Very low34.5Very low132 Ų132137.5 Ų137.571%0.70678%0.779SS**  cis-160.6159.5-1.8-137.7-52.6000112
177S32.2Very low34.3Very low108 Ų108142.6 Ų142.676%0.75578%0.776SS**  trans25.2156.1155.8-59.10000122.9
178A32.8Very low34.1Very low75 Ų75140.6 Ų140.662%0.6277%0.773SS**  cis-156.6-178.518.600000113.4
179E32.2Very low33.7Very low186 Ų186137.6 Ų137.687%0.86977%0.77SS**  trans59.5115156.8-65.6157.1-124.300118.7
180N33.5Very low33.2Very low155 Ų155134.2 Ų134.283%0.82977%0.766SS**  cis-144.9-170.846.969.976.3000113.9
181T28.6Very low33Very low112 Ų112138.3 Ų138.369%0.68778%0.775SS**  trans-132.3135.8-172.5-67.80000111.9
182I33.4Very low32.3Very low171 Ų171137.2 Ų137.288%0.87777%0.773SS**  trans-159.7135.6137.2-101.3148.5000109.7
183T31.6Very low31.7Very low122 Ų122133.8 Ų133.875%0.74877%0.769SS**  trans-113.5131.7-174-21.10000110.9
184S29Very low31.7Very low117 Ų117134.1 Ų134.182%0.81878%0.775SS**  trans-142.8126.715162.40000110.5
185T31.7Very low30.9Very low111 Ų111130.1 Ų130.168%0.68177%0.767SS**  trans-143.8122.1179-71.70000108.2R187T185-R187 HydrophobicContact CG2-CG 4.18Å
186T28Very low31.2Very low146 Ų146132.1 Ų132.190%0.89677%0.77SS**  trans-101.4105.4174.8-50.40000109.3
187R31.2Very low31.5Very low211 Ų211135 Ų13580%0.79678%0.777SS**  trans-110149.1175.3-96.8179.4171161-2.5111T185T185-R187 HydrophobicContact CG2-CG 4.18Å
188P32.1Very low31.4Very low122 Ų122138 Ų13879%0.79278%0.779SS**  trans-116.4110.4133.132.1-24.7000109
189V28.1Very low31.9Very low128 Ų128138.4 Ų138.478%0.77678%0.775SS**  78.8101.670.2173.40000113.4
190A26.7Very low31.6Very low92 Ų92137 Ų13776%0.7677%0.771SS**  trans-157.1102147.700000111.2
191K34Very low31.3Very low195 Ų195137.6 Ų137.685%0.84877%0.773SS**  trans31.7138.7141.9-36.9177.8-176.3174.90118.9
192S28.2Very low31.5Very low106 Ų106138 Ų13874%0.74178%0.779SS**  cis-166.7163.629-37.70000112.2
193A30.5Very low31.8Very low90 Ų90135.9 Ų135.974%0.74478%0.776SS**  trans51.8135.314300000120.7
194L36.1Very low31.5Very low160 Ų160137.7 Ų137.784%0.83878%0.781SS**  cis-145.3154.7-0.9-79.4134.3000106.7
195S30.2Very low32.4Very low99 Ų99136.7 Ų136.769%0.69277%0.771SS**  5813367-112.80000114.2
196I35.3Very low32.3Very low137 Ų137139.9 Ų139.970%0.70378%0.779SS**  cis-152.7151.111.5-21.4165000110.5
197F36.4Very low32.1Very low193 Ų193138.9 Ų138.985%0.84677%0.772SS**  170.5174.8126.1-96.2-67000113.8
198Q29.2Very low32.4Very low170 Ų170133.9 Ų133.979%0.79477%0.767SS**  trans-161179.3-151.3-117-160.2-36.500110
199P43.7Very low32.2Very low84 Ų84135.8 Ų135.855%0.54577%0.77SS.*  -141-170.3-58.633.8-10.6000115.3
200M26Very low32.1Very low157 Ų157137.2 Ų137.277%0.77377%0.771SS**  trans72.9145.5161.8-41.7-54.2-179.500117.7
201L28.3Very low32.3Very low166 Ų166139.8 Ų139.887%0.86977%0.773SS**  cis-161.2161.346-81.1166.1000112
202C31.9Very low32Very low120 Ų120138.8 Ų138.881%0.81178%0.776SS**  trans-102.9164.1163.2-52.80000110.6
203P39.7Very low32.1Very low128 Ų128138.6 Ų138.683%0.83177%0.774SS**  -152.4174.594.340.9-23000117.6
204L25.4Very low32.1Very low160 Ų160140.2 Ų140.284%0.83877%0.774SS**  trans-71.6-172.1161.5-131.362.9000110.2
205P47.9Very low31.9Very low96 Ų96140 Ų14062%0.62377%0.774SS**  cis-147.5-171.1-1.328.4-0.2000118
206Q29Very low32.8Very low178 Ų178140.5 Ų140.583%0.83278%0.775SS**  trans97.1140.3148.5-47.8-164.5-1.100123
207T25.1Very low32.4Very low124 Ų124139.9 Ų139.976%0.76178%0.783SS**  trans-62.4173.2160.549.40000112.9
208P35.8Very low32Very low106 Ų106137 Ų13769%0.68879%0.785SS**  cis-158.317234.645.2-22.8000122
209L29.2Very low31.9Very low163 Ų163133.8 Ų133.885%0.85379%0.788SS**  trans58.2160138.7-72.5168.7000125.1
210I26.6Very low31.3Very low157 Ų157137.8 Ų137.881%0.80580%0.804SS**  trans111.1128.3150.2-55.3-166.8000118
211N29.7Very low32Very low147 Ų147136.2 Ų136.279%0.78681%0.805SS**  trans-90.4158.3173.8-51.8-34.3000111.9
212L28.9Very low32.4Very low174 Ų174131.5 Ų131.591%0.91180%0.796SS**  trans-157.5163.7139-138.971.5000113.3
213S30.3Very low32.4Very low102 Ų102133.3 Ų133.371%0.71380%0.798SS**  trans-111.9-158.8176.957.40000111.1
214V30Very low32.3Very low123 Ų123130.9 Ų130.975%0.74579%0.789SS**  trans96.999.3167.2-171.30000117.5
215N31.8Very low33Very low155 Ų155130.2 Ų130.283%0.82979%0.785SS**  trans-82.1168.1140-67.8-21.2000108.4
216P49.3Very low32.5Very low111 Ų111131.9 Ų131.972%0.72179%0.789SS**  cis-144.2179.417.543.7-25.3000117
217S26.9Very low32.6Very low124 Ų124128.1 Ų128.187%0.86778%0.782SS**  trans-176.7168.5144.9-850000112.5
218C27.8Very low32.9Very low131 Ų131128.6 Ų128.689%0.88579%0.785SS**  trans-125.5153.8-158.7-44.60000115.8
219A27.7Very low32.9Very low103 Ų103129.4 Ų129.485%0.85179%0.787SS**  trans-163.1158.7152.200000113.2
220L29.6Very low32.8Very low169 Ų169128 Ų12889%0.88578%0.78SS**  trans-100.4178.8-180-82.1170.1000111.6
221P42.3Very low32.9Very low124 Ų124125.5 Ų125.581%0.80577%0.773SS**  cis-116.8-179.613.242.7-28.6000114
222G35.6Very low32.8Very low66 Ų66123.1 Ų123.168%0.6877%0.768SS**  cis114.8143.128.500000108.4
223D31.6Very low32.7Very low159 Ų159123.2 Ų123.285%0.8576%0.761SS**  cis-136.8146.911.6-109.1-1.9000109
224A37.8Very low33Very low77 Ų77125 Ų12564%0.63677%0.772SS**  71.5140.178.200000113.2
225L39.6Very low32.8Very low146 Ų146125 Ų12576%0.76476%0.764SS**  cis-149.7172.116.3-69.9169.8000108.2
226N37.5Very low32.5Very low131 Ų131125.8 Ų125.870%0.70176%0.76SS**  cis-159.9150.9-7.4-109.3-17.7000105.8
227S32.7Very low31.4Very low98 Ų98125.4 Ų125.469%0.68576%0.76SS**  cis106.3157.234.8-168.30000112.8
228V31.4Very low31.3Very low134 Ų134124.1 Ų124.181%0.81276%0.757SS**  trans72.8133.2-177.7-179.50000114.3
229V35.5Very low31.3Very low123 Ų123122.3 Ų122.375%0.74575%0.751SS**  cis-158.1144.4-17.3132.20000104.1
230D27.2Very low31.2Very low133 Ų133126.1 Ų126.171%0.71176%0.756SS**  cis106.2138.422.5-158.925.9000115.3
231T27.6Very low31.1Very low105 Ų105121 Ų12164%0.64475%0.745SS**  trans45.4116.216850.50000123.1
232S27.5Very low30.3Very low97 Ų97120.2 Ų120.268%0.67874%0.742SS**  84.1164.811979.60000122.8
233F27.2Very low30.1Very low176 Ų176123.2 Ų123.277%0.77275%0.747SS**  trans64.1118.5172.9-76.8-81.6000120.1E235F233-E235 HydrophobicContact CD1-CB 4.33Å
234C37Very low29.9Very low140 Ų140125.2 Ų125.295%0.94675%0.749SS**  trans-127.593.6141.2-173.40000108.2
235E25.7Very low30Very low122 Ų122127 Ų12757%0.5775%0.754SS**  trans-150.1118.6168.3-172.4178.3-169.300111.5F233F233-E235 HydrophobicContact CD1-CB 4.33Å
236K25.6Very low29.4Very low172 Ų172126.3 Ų126.375%0.74876%0.756SS**  trans65.3147.8162.7-70.4165.6-174154.80116.3
237S26.2Very low28.9Very low104 Ų104124.7 Ų124.773%0.72776%0.755SS**  cis-160.7156.7-3.4-123.60000113.3
238A25.1Very low28.7Very low96 Ų96125.1 Ų125.179%0.79376%0.757SS**  trans69.9169.6146.100000120.1
239A26.8Very low28.6Very low93 Ų93123.8 Ų123.877%0.76975%0.754SS**  trans70106.4-17600000115
240L25.3Very low28.6Very low183 Ų183125.1 Ų125.196%0.95876%0.755SS**  76.611452-168.478000112.3
241G27.6Very low28.7Very low63 Ų63125.7 Ų125.765%0.64975%0.754SS**  trans13089.1-17600000109.9
242S26.5Very low28.7Very low106 Ų106127.3 Ų127.374%0.74176%0.756SS**  85.7153.666.176.20000114.2
243T30.2Very low28.8Very low129 Ų129129.7 Ų129.779%0.79176%0.758SS**  trans62.4107.3152.344.70000120.2
244K27.8Very low28.8Very low202 Ų202132.4 Ų132.488%0.87876%0.763SS**  trans-47.9160.3132.4-69.8177173.9175.50110.4
245P39.4Very low28.4Very low115 Ų115130.4 Ų130.475%0.74776%0.757SS**  cis-139.6-170.48.638.7-17.1000115.9
246T27.1Very low28.6Very low131 Ų131136.2 Ų136.280%0.80477%0.774SS**  trans-7.8135.7152.4-31.10000120.5
247S27.1Very low29.6Very low97 Ų97132.3 Ų132.368%0.67877%0.766SS**  144116.8111.3-159.50000119.3
248S28.5Very low30.1Very low106 Ų106137.4 Ų137.474%0.74177%0.769SS**  trans69.2161.2131.968.40000125.1
249S30.6Very low30.3Very low106 Ų106138.3 Ų138.374%0.74176%0.761SS**  trans82.9149.5164.4-106.90000117.6
250I33.6Very low30.7Very low151 Ų151144.9 Ų144.977%0.77477%0.765SS**  cis-161.2164.13.4-153.3148.9000107.1
251E29.7Very low30.8Very low145 Ų145139.2 Ų139.268%0.67875%0.751SS**  cis-159.7179.64.1-140.7-83.188.700109.3
252M29Very low31.1Very low139 Ų139142 Ų14269%0.68576%0.761SS**  trans76.8145.1162-64.5-159.8-171.200119
253M29Very low31.3Very low148 Ų148141.3 Ų141.373%0.72976%0.756SS**  cis-143.1126.46.1-145.8-173.8-62.800115.2
254R27.5Very low31.3Very low232 Ų232141.5 Ų141.588%0.87576%0.757SS**  trans32.1106.6145.9-171.1-171.4-67.1160.90.5120.5
255A29.1Very low31.4Very low99 Ų99136.1 Ų136.182%0.81875%0.745SS**  trans-151.8147.8130.300000111.5
256R29.9Very low31Very low244 Ų244137.3 Ų137.392%0.92175%0.749SS**  trans-171171.9-174.2-125.5-164.3174.4-168.22.8107.3
257P45.9Very low31Very low89 Ų89133.9 Ų133.958%0.57874%0.74SS**  cis-146.1-176.32.843.6-24.4000118.2
258R35.7Very low31Very low211 Ų211138.7 Ų138.780%0.79675%0.752SS**  trans73.9158.8144.1-86.1179-170.61641.7118.6
259D29.8Very low31Very low116 Ų116138 Ų13862%0.6275%0.753SS**  cis-130.5148.9-0.7-100.1-49.6000108.2
260R36Very low30.9Very low230 Ų230137.3 Ų137.387%0.86875%0.753SS**  53.312168.5-173.9-178.1-76-124.2-3.8112.4
261G27.7Very low31.5Very low64 Ų64135.7 Ų135.766%0.6675%0.753SS**  cis132.5161.79.300000109.9
262S33.1Very low31.5Very low123 Ų123134.5 Ų134.586%0.8676%0.755SS**  trans71.3155.2-179.6-118.60000115
263S31.1Very low31.6Very low90 Ų90136.2 Ų136.263%0.62976%0.764SS**  cis178.1175.3-23.546.90000109.7
264V29.6Very low31.5Very low134 Ų134132.3 Ų132.381%0.81276%0.762SS**  trans73.1142.1158161.30000115.7
265S31Very low31.6Very low89 Ų89128.3 Ų128.362%0.62276%0.758SS**  cis-176.7171-16.863.30000111.7
266V29.7Very low31.8Very low139 Ų139129.6 Ų129.684%0.84276%0.761SS**  trans68.8143.9158.8176.80000116.2
267G26.8Very low31.6Very low60 Ų60121.6 Ų121.662%0.61975%0.754SS**  cis165.3173-7.100000112.3
268E28Very low30.9Very low197 Ų197122.4 Ų122.492%0.92177%0.768SS**  trans60.8153.7169.6-77.7177.791.700118.7
269A28.6Very low30.5Very low92 Ų92115.6 Ų115.676%0.7676%0.764SS**  cis-154.4172.8-12.400000110.7
270A27.5Very low30.9Very low91 Ų91116.4 Ų116.475%0.75278%0.776SS**  trans-96.1174.3172.800000112
271P47.1Very low30.6Very low117 Ų117112.1 Ų112.176%0.7678%0.775SS**  -146.4-173.282.241.1-21.6000112.7
272T30.2Very low30.7Very low120 Ų120115.4 Ų115.474%0.73679%0.786SS**  cis-151.3142.913-33.90000112.1
273M31.4Very low30.6Very low175 Ų175113.2 Ų113.286%0.86278%0.783SS**  trans16.1145.3157.8-62.3-179.770.100123.2
274G26.1Very low30.6Very low67 Ų67117 Ų11769%0.69180%0.795SS**  cis170.2-154.51.900000116.8
275N30.5Very low30.6Very low148 Ų148115.3 Ų115.379%0.79180%0.795SS**  trans75.569.6-176.5-75.923000118.7
276S31.9Very low30.6Very low125 Ų125114 Ų11487%0.87480%0.796SS**  21.9129.4114.5-43.60000119.6
277G26.8Very low31.5Very low76 Ų76113.4 Ų113.478%0.78480%0.798SS**  trans-161.910.9179.200000120.7
278A31.5Very low32.1Very low106 Ų106116 Ų11688%0.87680%0.803SS**  trans64.1141174.600000119.3
279G26Very low32.7Very low68 Ų68117.7 Ų117.770%0.70180%0.802SS**  trans-88.1-174.9159.800000111.7
280P37.8Very low33.7Very low134 Ų134116.3 Ų116.387%0.8779%0.785SS**  -130.7156.374.538.7-31000115.3
281T30.5Very low34.6Very low139 Ų139119.1 Ų119.185%0.85379%0.792SS**  trans-82.8124171.148.40000111.7
282C30.3Very low34.8Very low133 Ų133120.5 Ų120.590%0.89979%0.792SS**  trans-155.8144.2154.4-115.70000110.9
283G30.9Very low35.9Very low77 Ų77120.8 Ų120.879%0.79479%0.785SS**SBendtrans32.986.9162.600000118.2A285G283-A285 PolarHBondContact O-N 3.37Å
284I31.5Very low36.5Very low169 Ų169122.3 Ų122.387%0.86779%0.787SS**  trans3.899.7158.1-57.2175000114.7
285A29.6Very low37.7Very low100 Ų100127.5 Ų127.583%0.82680%0.798SS**  trans-67.6146.2154.800000109.1G283G283-A285 PolarHBondContact O-N 3.37Å
286G30.2Very low38.4Very low62 Ų62125.2 Ų125.264%0.63979%0.79SS**  cis172.7-171.9-1.200000109.4P288G286-P288 WeakPolarHBondContact O-CD 3.42Å
287S49.1Very low38.8Very low126 Ų126128.4 Ų128.488%0.88179%0.788SS**  trans-72.7138.7166.857.90000110.5
288P38Very low39.1Very low113 Ų113133.1 Ų133.173%0.73479%0.794SS**  trans-141.2117.8135.629.8-12000113.4G286G286-P288 WeakPolarHBondContact O-CD 3.42Å
289R42.1Very low39.7Very low234 Ų234138.9 Ų138.988%0.88379%0.794SS**  trans-57.6155135.8-69.6170.3163.9166.4-7.3108
290P49.4Very low40.6Very low63 Ų63146.4 Ų146.441%0.40980%0.801SS.*  cis-134.3175.6-4.340.5-24.5000114.4L292 Q293P290-L292 HydrophobicContact CB-CB 4.07Å; P290-L292 HydrophobicContact CG-CB 3.61Å; P290-L292 PolarHBondContact O-N 2.87Å; P290-L292 VanDerWaalsContact O-N 3.15Å; P290-Q293 HydrophobicContact CG-CG 4.08Å; P290-Q293 PolarHBondContact O-N 3.4Å
291V46.2Very low40.9Very low150 Ų150148.7 Ų148.791%0.90980%0.8SS**G310 helixtrans-61-19.2164.8-177.70000112.3Q293V291-Q293 PolarHBondContact O-N 2.88Å
292L51.5Low40.9Very low145 Ų145146.8 Ų146.876%0.75980%0.798SS**G310 helixtrans-64.6-3.4176.1-121.978000115.7P290P290-L292 HydrophobicContact CB-CB 4.07Å; P290-L292 HydrophobicContact CG-CB 3.61Å; P290-L292 PolarHBondContact O-N 2.87Å; P290-L292 VanDerWaalsContact O-N 3.15Å
293Q53.3Low41Very low126 Ų126145.6 Ų145.659%0.58979%0.791SS**G310 helixtrans-101.90.9-173.1-82.4-174.710.900117P290 V291 T296P290-Q293 HydrophobicContact CG-CG 4.08Å; P290-Q293 PolarHBondContact O-N 3.4Å; V291-Q293 PolarHBondContact O-N 2.88Å; Q293-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q293-T296 PolarHBondContact O-OG1 3.18Å
294F43.2Very low41.4Very low207 Ų207150.2 Ų150.291%0.90880%0.796SS**SBendtrans-88.1-21.4173.7-112.6-80.9000114.8T296F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 PolarHBondContact O-N 3.29Å
295L51.1Low41.8Very low176 Ų176151.3 Ų151.392%0.92180%0.798SS**THydrogen-bonded Turntrans-81.2-5.3171.9-66.8177.3000113.4
296T45.1Very low42Very low100 Ų100150.1 Ų150.161%0.61380%0.795SS**THydrogen-bonded Turntrans-97.515.8-170.749.90000115.2Q293 F294Q293-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q293-T296 PolarHBondContact O-OG1 3.18Å; F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 PolarHBondContact O-N 3.29Å
297K41.6Very low42.2Very low192 Ų192152.1 Ų152.184%0.83581%0.806SS**SBendtrans-135.932-173.9-138.4176.5-175.5178.50118.6
298L32.8Very low41.3Very low175 Ų175151.5 Ų151.592%0.91680%0.801SS**  trans-141.568.1150.9-155.569.3000113.9
299R43.3Very low41.8Very low228 Ų228150.6 Ų150.686%0.8680%0.796SS**  trans-129.7103.3160.4178.9-162.2-71.9-172.6-2.8110
300R45.4Very low41.6Very low226 Ų226149.3 Ų149.385%0.85379%0.792SS**  -149.9141.2126.4-55.2-164.7-173-154.1-1.8104.6
301H43Very low41.3Very low182 Ų182156.8 Ų156.884%0.84382%0.819SS**SBendcis-124.2161.227.3-64.7-107000114.4
302A30.9Very low41.2Very low99 Ų99158.8 Ų158.882%0.81882%0.815SS**  trans-14.9165161.500000121.4
303S33.3Very low41.2Very low107 Ų107159.8 Ų159.875%0.74882%0.819SS**  cis169.5125.9-18.7174.70000108.8
304L38.5Very low40.7Very low174 Ų174162.9 Ų162.991%0.91183%0.831SS**  trans-166.5156.7140-137.669.3000111.9
305E40.6Very low40.8Very low192 Ų192162 Ų16290%0.89783%0.827SS**  trans-97.9157.9177.8-61.6166.3112.500111.1
306G34Very low40.2Very low75 Ų75165.8 Ų165.877%0.77383%0.829SS**  trans-177.467.8-176.700000117.7
307A33.9Very low39.8Very low104 Ų104169.5 Ų169.586%0.8684%0.837SS**  trans49.3119.1153.400000121.9
308S29.7Very low39.9Very low113 Ų113168.5 Ų168.579%0.7984%0.84SS**  trans-74.4177.6148.5-148.10000109.9
309P49.1Very low40.1Very low94 Ų94166.5 Ų166.561%0.6183%0.83SS**  cis-139.9-163.85.726.31.7000115.7
310Y37.9Very low40.4Very low207 Ų207160.7 Ų160.781%0.81282%0.824SS**  trans7893.8165.5-62.8-74.6000119.8K312Y310-K312 PolarHBondContact O-N 2.94Å
311F43.6Very low40.1Very low221 Ų221155.4 Ų155.497%0.96982%0.822SS**  trans-73.3112.6151.9-83.4-88.8000110.6
312K43.1Very low40.1Very low191 Ų191155.6 Ų155.683%0.8382%0.823SS**  trans-89.6122165.7-80.5-171175.3-179.10110.6Y310 K314Y310-K312 PolarHBondContact O-N 2.94Å; K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.1Å
313I51.5Low40.7Very low166 Ų166162.3 Ų162.385%0.85183%0.827SS**  trans-58.4111.8172.3-60.3166.2000109
314K41.9Very low40.9Very low191 Ų191162 Ų16283%0.8383%0.831SS**  trans-98.6103.4177.2-158.4175.4-174.5-177.30109.1K312 W316K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.1Å; K314-W316 PolarHBondContact O-N 3.46Å
315K47Very low40.5Very low189 Ų189159.5 Ų159.582%0.82283%0.829SS**PPolyproline II helixtrans-56.6119.2177.7-65.5176.764.6167.60110K317K315-K317 PolarHBondContact O-N 3.49Å
316W37.7Very low40.4Very low255 Ų255155.6 Ų155.697%0.96682%0.822SS**PPolyproline II helixtrans-69126.6161.6-68.893.1000108.2K314K314-W316 PolarHBondContact O-N 3.46Å
317K37.2Very low40.7Very low179 Ų179159.1 Ų159.178%0.77882%0.823SS**PPolyproline II helixtrans-87.8140.7169.4-83.8-168.1171.2-169.30109.1K315 D319K315-K317 PolarHBondContact O-N 3.49Å; K317-D319 PolarHBondContact O-N 2.89Å
318L43.8Very low41Very low171 Ų171160.3 Ų160.390%0.89581%0.814SS**  trans-9584.1174.9-153.6164.7000107.2S320L318-S320 PolarHBondContact O-N 3.39Å
319D37.3Very low41.7Very low132 Ų132160.9 Ų160.971%0.70681%0.814SS**  trans-72.5119.9-178.6-79-19.1000110.3K317 S321K317-D319 PolarHBondContact O-N 2.89Å; D319-S321 PolarHBondContact O-N 2.92Å
320S48.2Very low41.5Very low107 Ų107167.1 Ų167.175%0.74883%0.825SS**  trans-7999.5179.4-171.30000110.4L318 Q322L318-S320 PolarHBondContact O-N 3.39Å; S320-Q322 VanDerWaalsContact C-N 3.26Å; S320-Q322 PolarHBondContact O-N 3.48Å
321S40.3Very low41.5Very low115 Ų115160.4 Ų160.480%0.80482%0.819SS**  trans-81.560.9-177.849.70000113.4D319 R323D319-S321 PolarHBondContact O-N 2.92Å; S321-R323 PolarHBondContact O-N 2.99Å
322Q42.8Very low41.1Very low186 Ų186155.5 Ų155.587%0.86981%0.812SS**  trans-64.5104.4159.7-75.6-169.4-6.500109.4S320S320-Q322 VanDerWaalsContact C-N 3.26Å; S320-Q322 PolarHBondContact O-N 3.48Å
323R42.7Very low41Very low239 Ų239152.2 Ų152.290%0.90281%0.81SS**  trans-125.8112.7165.4-161.2174.7-146.5-111.91.4109.7S321S321-R323 PolarHBondContact O-N 2.99Å
324A37.1Very low40.5Very low100 Ų100154 Ų15483%0.82681%0.812SS**  trans-62.5142.3175.800000111.1
325S31.2Very low40.6Very low123 Ų123156.5 Ų156.586%0.8682%0.816SS**  trans-113.8112.9164-173.60000107.6
326S38.2Very low40.8Very low109 Ų109158.4 Ų158.476%0.76282%0.818SS**  trans-83.7118.3-171.8530000112.2
327L40.7Very low41.1Very low149 Ų149155.1 Ų155.178%0.7881%0.813SS**  trans28.198.8134.4-158.9165.8000116.8
328D40.1Very low41.3Very low129 Ų129156.5 Ų156.569%0.6982%0.82SS**  trans-133.7107.9141.4-172.82.3000109.4R330D328-R330 WeakPolarHBondContact OD1-CB 3.41Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 PolarHBondContact OD1-N 2.75Å
329T44.2Very low41.3Very low126 Ų126157 Ų15777%0.77382%0.817SS**  trans-101.954.9-179.854.60000111.4
330R44.6Very low41.5Very low224 Ų224161.7 Ų161.785%0.84583%0.825SS**  trans-10384.6177.7-81.1-179.2160.4-179.2-3.4114.2D328D328-R330 WeakPolarHBondContact OD1-CB 3.41Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 PolarHBondContact OD1-N 2.75Å
331G38.8Very low41.3Very low66 Ų66166 Ų16668%0.6883%0.834SS**  trans7177.8141.900000118.4
332S35.3Very low41.7Very low118 Ų118171.8 Ų171.883%0.82584%0.838SS**  trans-59.1128.5160.7-48.40000110.9K334S332-K334 PolarHBondContact O-N 3.5Å
333P41Very low42Very low123 Ų123167.6 Ų167.680%0.79984%0.835SS**  trans-59.8128.2-178.6-2836.3000113.6R335P333-R335 PolarHBondContact O-N 2.85Å
334K40.1Very low41.5Very low204 Ų204160.5 Ų160.589%0.88783%0.827SS**  trans-61.7107.3179.1-73.6179176.7175.10111.1S332 R336S332-K334 PolarHBondContact O-N 3.5Å; K334-R336 PolarHBondContact O-N 3.41Å; K334-R336 VanDerWaalsContact O-N 3.07Å
335R45Very low41.5Very low242 Ų242161.4 Ų161.491%0.91383%0.828SS**  trans-62.2109.3163.4-65.9-179.474.8-170.65.6108.4P333P333-R335 PolarHBondContact O-N 2.85Å
336R49.8Very low41.9Very low229 Ų229164.2 Ų164.286%0.86483%0.827SS**  trans-57.4139.6173.2-78.3-173.2171.5-141.51109.9K334 F338K334-R336 PolarHBondContact O-N 3.41Å; K334-R336 VanDerWaalsContact O-N 3.07Å; R336-F338 PolarHBondContact O-N 2.88Å
337Q45.3Very low42Very low187 Ų187163.6 Ų163.687%0.87482%0.823SS**  trans-70.6127.2168.7-66.6179.4-4.400108.8Q339Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.84Å
338F41.4Very low42.2Very low207 Ų207164.3 Ų164.391%0.90882%0.824SS**  trans-76.683.3173-80.3-86.1000110R336 R340R336-F338 PolarHBondContact O-N 2.88Å; F338-R340 PolarHBondContact O-N 3.29Å
339Q42.7Very low42.4Very low181 Ų181165.3 Ų165.385%0.84683%0.83SS**  trans-65.398169-177168.2-8.600108.7Q337 Q341Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.84Å; Q339-Q341 PolarHBondContact O-N 3.35Å; Q339-Q341 VanDerWaalsContact O-N 3.1Å
340R42.8Very low42Very low232 Ų232166.1 Ų166.188%0.87583%0.825SS**  trans-60.3115.6174.1-73.7-176.7175.7-91.60.4108.6F338 R342F338-R340 PolarHBondContact O-N 3.29Å; R340-R342 PolarHBondContact O-N 3.07Å
341Q42.3Very low41.9Very low197 Ų197162.6 Ų162.692%0.92182%0.822SS**  trans-57.5113.3171.6-70165.1-52.400108.5Q339Q339-Q341 PolarHBondContact O-N 3.35Å; Q339-Q341 VanDerWaalsContact O-N 3.1Å
342R50.5Low42.1Very low236 Ų236165.6 Ų165.689%0.89182%0.823SS**PPolyproline II helixtrans-89.7125.2158.3-170.9-179.4-61.8-171.21.5105.1R340 A344R340-R342 PolarHBondContact O-N 3.07Å; R342-A344 PolarHBondContact O-N 3.1Å
343A47.4Very low42.4Very low98 Ų98166.2 Ų166.281%0.8182%0.817SS**PPolyproline II helixtrans-57132.8179.800000109.9
344A34Very low42.7Very low90 Ų90166.4 Ų166.474%0.74481%0.812SS**PPolyproline II helixtrans-86.3120.5168.300000108.1R342R342-A344 PolarHBondContact O-N 3.1Å
345S36.5Very low43.2Very low119 Ų119163.3 Ų163.383%0.83281%0.81SS**  trans-8988.2153.454.40000106.6S347S345-S347 PolarHBondContact O-N 2.71Å
346E39.6Very low43.6Very low182 Ų182158.8 Ų158.885%0.8580%0.799SS**  trans-74.6112.8172.7-177.1177.1160.900108.5
347S39Very low43.6Very low97 Ų97155.3 Ų155.368%0.67879%0.792SS**  trans-126.7118.9167.557.90000108.2S345S345-S347 PolarHBondContact O-N 2.71Å
348M46.3Very low43.7Very low163 Ų163153.1 Ų153.180%0.80379%0.785SS**  trans-91.1103.2-175.2174.2-171.172.500109.2
349D43.2Very low44Very low150 Ų150148.9 Ų148.980%0.80277%0.772SS**  trans-108.7120.7164.5-67.5-54.9000108
350Q35.6Very low44.7Very low144 Ų144145.2 Ų145.267%0.67376%0.757SS**  trans-116.9115.4-179.91761710.200109.5D352Q350-D352 PolarHBondContact NE2-OD2 3.11Å
351D43.3Very low45.2Very low149 Ų149140.3 Ų140.380%0.79775%0.747SS**  trans-132.899.8170.9-88.7-52.4000109.5N353D351-N353 PolarHBondContact O-N 3.06Å
352D42.8Very low45.5Very low129 Ų129136.1 Ų136.169%0.6973%0.727SS**  trans-85.774.1177.1-77.8-70.9000111.8Q350Q350-D352 PolarHBondContact NE2-OD2 3.11Å
353N42.3Very low45.2Very low132 Ų132132.7 Ų132.771%0.70672%0.716SS**  trans-149.8141165.2-64.3-79.1000108D351D351-N353 PolarHBondContact O-N 3.06Å
354D46.3Very low45.3Very low127 Ų127133.7 Ų133.768%0.67971%0.706SS**  cis-137.1147.910.2-80.8-63.5000112.6H356D354-H356 PolarHBondContact O-N 3.17Å
355T51.8Low45.7Very low139 Ų139133.5 Ų133.585%0.85370%0.704SS**THydrogen-bonded Turntrans-78.828-169.9-350000115.6
356H53.7Low46Very low147 Ų147136.9 Ų136.968%0.68170%0.699SS**THydrogen-bonded Turntrans-123.50.4-165.9-71.7-58.2000117.5D354 I358D354-H356 PolarHBondContact O-N 3.17Å; H356-I358 VanDerWaalsContact C-N 3.31Å; H356-I358 PolarHBondContact O-N 2.78Å
357H48.7Very low46.3Very low155 Ų155132.3 Ų132.372%0.71868%0.684SS**THydrogen-bonded Turntrans-78.3-2.7-175.4-102.8-63.4000116.7
358I47.4Very low46.4Very low141 Ų141136.1 Ų136.172%0.72369%0.691SS**THydrogen-bonded Turntrans-91.4-36-173.2-75.5172.7000113.6H356H356-I358 VanDerWaalsContact C-N 3.31Å; H356-I358 PolarHBondContact O-N 2.78Å
359D48.3Very low45.6Very low118 Ų118135.7 Ų135.763%0.63169%0.692SS**Hα-helixtrans-71.5-34.5-175.3-74.8-37000113.6I361 Q362 Y363D359-I361 VanDerWaalsContact C-N 3.29Å; D359-I361 PolarHBondContact O-N 3.07Å; D359-Q362 PolarHBondContact O-N 2.98Å; D359-Q362 VanDerWaalsContact O-N 3.1Å; D359-Y363 PolarHBondContact O-N 2.76Å
360L56.7Low45.2Very low104 Ų104135.4 Ų135.455%0.54570%0.695SS.*Hα-helixtrans-63.2-35.2-176.5-173.862.5000112.6Q362 Y363 I364L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Y363 PolarHBondContact O-N 3.05Å; L360-I364 HydrophobicContact CG-CD1 4.37Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å
361I52.6Low45.4Very low130 Ų130133.6 Ų133.667%0.66770%0.696SS**Hα-helixtrans-70.7-33.1178.2-59.1178.7000110.5D359D359-I361 VanDerWaalsContact C-N 3.29Å; D359-I361 PolarHBondContact O-N 3.07Å
362Q48.7Very low44.6Very low108 Ų108137.4 Ų137.451%0.50570%0.701SS.*Hα-helixtrans-82.6-17.4177.2-144.8-17393.200113.5D359 L360 R366D359-Q362 PolarHBondContact O-N 2.98Å; D359-Q362 VanDerWaalsContact O-N 3.1Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; Q362-R366 WeakPolarHBondContact O-CG 3.29Å
363Y45.5Very low44Very low165 Ų165141.4 Ų141.465%0.64771%0.708SS**Hα-helixtrans-71.6-49.3171.2-174.3-103.4000111.6D359 L360 A365 R366D359-Y363 PolarHBondContact O-N 2.76Å; L360-Y363 PolarHBondContact O-N 3.05Å; Y363-A365 PolarHBondContact O-N 2.88Å; Y363-R366 PolarHBondContact O-N 3.16Å
364I48.8Very low43.2Very low119 Ų119143.1 Ų143.161%0.6171%0.712SS**Hα-helixtrans-63.9-28.3-177.5-64.3166.1000112.1L360 R366L360-I364 HydrophobicContact CG-CD1 4.37Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å; I364-R366 VanDerWaalsContact C-N 3.34Å; I364-R366 PolarHBondContact O-N 3Å
365A43.1Very low42.2Very low85 Ų85141.9 Ų141.970%0.70271%0.713SS**THydrogen-bonded Turntrans-820.3-178.600000115.3Y363Y363-A365 PolarHBondContact O-N 2.88Å
366R42.8Very low41.2Very low190 Ų190144.3 Ų144.372%0.71772%0.715SS**THydrogen-bonded Turntrans-110.43.3-176.9-68-176.3-169.2-143.612.2115Q362 Y363 I364Q362-R366 WeakPolarHBondContact O-CG 3.29Å; Y363-R366 PolarHBondContact O-N 3.16Å; I364-R366 VanDerWaalsContact C-N 3.34Å; I364-R366 PolarHBondContact O-N 3Å
367T45.5Very low40.2Very low87 Ų87142.6 Ų142.653%0.53472%0.716SS.*  trans-124.164.9-171.958.70000113.4
368Q40.2Very low39.2Very low177 Ų177141.2 Ų141.283%0.82772%0.719SS**SBendtrans-153.3135.6155.6-123130.810300110.8
369D30.5Very low38.4Very low153 Ų153139.6 Ų139.682%0.81872%0.716SS**SBendtrans67.9154.6174.5-59.3-22.5000120.7
370V33.7Very low37.5Very low144 Ų144144.6 Ų144.687%0.87373%0.726SS**  trans80.9129.6-173.3-171.10000114.7
371P41.6Very low36.3Very low107 Ų107147.6 Ų147.670%0.69574%0.741SS**  trans-107.2164.8-150.540.8-36.2000116
372Y26.7Very low35.3Very low229 Ų229149.1 Ų149.190%0.89875%0.75SS**  trans-120.7129162.1-109.5-95.2000111.1
373Y28.3Very low34.6Very low212 Ų212149.3 Ų149.383%0.83176%0.763SS**  trans-90.1144.7166.4-89.6-95.7000109.9
374Q25.9Very low34.3Very low169 Ų169147.2 Ų147.279%0.7977%0.77SS**  trans-152.8127.7148.5-157.974.419.500111.2
375S25.8Very low34Very low101 Ų101147.6 Ų147.671%0.70678%0.78SS**  trans45.7103.2159.456.30000120.3
376Q31.1Very low33.3Very low190 Ų190149.1 Ų149.189%0.88879%0.786SS**  trans-65.2165.3143-67.5177.4-37.100111.1
377P32.2Very low32.9Very low111 Ų111146 Ų14672%0.72179%0.788SS**  trans-126.4137.6135.235.1-26.2000112.6
378T28.8Very low33Very low125 Ų125147 Ų14777%0.76780%0.796SS**  trans68.8120.1150.3-52.70000115.6
379T29.5Very low32.6Very low107 Ų107144.5 Ų144.566%0.65680%0.795SS**  cis-160.9155.927.6-12.30000111.9
380R30.3Very low33.3Very low224 Ų224142.4 Ų142.485%0.84579%0.79SS**  trans27.9121.3141.4-70.6173.6-166.5-165.13.1117.4
381L31.4Very low32.9Very low166 Ų166140.7 Ų140.787%0.86978%0.784SS**  cis-167.1-176.349.8-115.4159.1000112.4
382L30Very low32.4Very low162 Ų162143.3 Ų143.385%0.84879%0.791SS**  trans-87.4155.4-174-69.6162000114.3
383S35.2Very low32.5Very low113 Ų113135 Ų13579%0.7978%0.776SS**  trans-68.8167174.1-35.10000113.9
384P38.6Very low32.4Very low121 Ų121135.3 Ų135.379%0.78678%0.776SS**  -135.8158.6121.137.8-29.1000114.4
385P43.7Very low32.5Very low127 Ų127132.3 Ų132.383%0.82577%0.769SS**  trans-100.3156.1175.838.4-33.5000113.5
386S26.8Very low32.6Very low117 Ų117132.8 Ų132.882%0.81876%0.759SS**  trans-168.6155.1147.7-172.20000111.5
387T35.8Very low32.7Very low125 Ų125130.4 Ų130.477%0.76776%0.758SS**  trans-88.4-172.6163.658.30000110
388P46.7Very low32.5Very low107 Ų107132 Ų13270%0.69576%0.756SS**  -120.3172.1-93.138.6-23.4000113.7
389P31.6Very low32.5Very low124 Ų124132.8 Ų132.881%0.80576%0.76SS**  trans-106.6124.2164.734.6-25.4000112.9
390P45.2Very low32.4Very low110 Ų110132.8 Ų132.871%0.71476%0.759SS**  trans-83.6-159.6152.238.3-34000109.4
391S26Very low32.2Very low108 Ų108128 Ų12876%0.75576%0.755SS**  trans74.1146.3174.881.10000115.5
392L31.8Very low32.3Very low161 Ų161128.9 Ų128.984%0.84376%0.755SS**  cis-152.6149.3-12-120.2166.7000108.2
393G28.1Very low32.4Very low56 Ų56125.6 Ų125.658%0.57774%0.743SS**  trans-83.1-176.9155.400000110.4
394R26.8Very low31.7Very low218 Ų218124.5 Ų124.582%0.82374%0.735SS**  trans78.1137.9174.6-155.6172.7-175.5152.912.1113E396R394-E396 IonicContact CZ-OE1 3.39Å; R394-E396 IonicContact NE-OE1 3.26Å; R394-E396 PolarHBondContact NE-OE1 3.26Å; R394-E396 IonicContact NH2-OE1 2.84Å; R394-E396 PolarHBondContact NH2-OE1 3.39Å; R394-E396 IonicContact NH2-OE2 2.99Å
395V26.4Very low31.1Very low106 Ų106124.6 Ų124.664%0.64274%0.738SS**  cis173.6-160.4-972.20000109.2
396E29.1Very low30.2Very low110 Ų110124 Ų12451%0.51474%0.737SS.*  cis-148107.1-9.7-111.7121.4-142.500105.3R394R394-E396 IonicContact CZ-OE1 3.39Å; R394-E396 IonicContact NE-OE1 3.26Å; R394-E396 PolarHBondContact NE-OE1 3.26Å; R394-E396 IonicContact NH2-OE1 2.84Å; R394-E396 PolarHBondContact NH2-OE1 3.39Å; R394-E396 IonicContact NH2-OE2 2.99Å
397V32.5Very low30.1Very low141 Ų141130.4 Ų130.486%0.85574%0.743SS**  trans-154.988.4155.6-175.50000106.4
398E29.3Very low29.7Very low145 Ų145128.2 Ų128.268%0.67875%0.745SS**  cis60.886.840.9-160.6-179.8-141.700113.7V400E398-V400 HydrophobicContact CG-CG2 4.34Å
399V27.1Very low28.8Very low140 Ų140126.7 Ų126.785%0.84875%0.749SS**  trans-127.799.1135.6178.30000106.7
400V28.6Very low29.1Very low107 Ų107127.2 Ų127.265%0.64875%0.752SS**  trans-63.7145.3160.7172.40000108.3E398E398-V400 HydrophobicContact CG-CG2 4.34Å
401V25.8Very low28.4Very low125 Ų125125.1 Ų125.176%0.75875%0.751SS**  trans172.1110.6142.6146.90000110.6
402E33.6Very low28.8Very low184 Ų184126.5 Ų126.586%0.8675%0.754SS**  trans-72141.3138.8-137.9-154.6132.700105.6
403P31.9Very low28.7Very low92 Ų92126.5 Ų126.560%0.59775%0.753SS**  -162.5-162.37542.4-18.6000115.9
404S21Very low28.7Very low91 Ų91126.7 Ų126.764%0.63676%0.755SS**  trans71.4110.9138.3-67.80000122.5
405C25.8Very low28.7Very low123 Ų123124.5 Ų124.583%0.83176%0.759SS**  39.5110108.3-50.50000120.5
406S23.9Very low28.7Very low115 Ų115124.2 Ų124.280%0.80476%0.762SS**  trans-167.7137.5131.434.60000108.5
407R25.6Very low29.2Very low250 Ų250124.6 Ų124.694%0.94377%0.774SS**  cis66.985.443.9-172.9176.3-90.4-114.70.2112.7
408G27.5Very low29Very low79 Ų79124.1 Ų124.181%0.81477%0.766SS**  trans-174.886.417200000113.8
409G27.4Very low29.5Very low75 Ų75122.5 Ų122.577%0.77377%0.768SS**  trans-77.8-172.6157.700000111.2
410P38.8Very low29.4Very low136 Ų136122.9 Ų122.988%0.88376%0.761SS**  cis-139177.830.441-23.1000116.5
411G30.1Very low29.4Very low66 Ų66125 Ų12568%0.6876%0.763SS**  trans136.775.3168.900000113.8
412V33.3Very low29.5Very low137 Ų137126.7 Ų126.783%0.8376%0.763SS**  63.5115.275.7-178.40000110.3
413I29.6Very low29.2Very low161 Ų161123.2 Ų123.283%0.82676%0.755SS**  cis-141.1150.434.7-51.8166000109.5
414G28Very low28.8Very low59 Ų59126.3 Ų126.361%0.60877%0.765SS**  cis151.9156.5-8.400000114.2
415L27.1Very low29Very low172 Ų172127.2 Ų127.290%0.90177%0.772SS**  trans67.4150.2160.6-52.4-178.6000118.7
416S26.4Very low29.1Very low101 Ų101127.9 Ų127.971%0.70677%0.772SS**  cis176.6173-19.6-161.30000108
417P40.3Very low29.3Very low118 Ų118128.2 Ų128.277%0.76677%0.769SS**  -117.6-167.2-57.638.8-23.6000113.5
418D27.5Very low29.4Very low130 Ų130127.3 Ų127.370%0.69577%0.766SS**  trans-48.4159.2175.6-151.849.4000116.8Q420D418-Q420 PolarHBondContact OD2-N 2.91Å
419P39.3Very low29.3Very low112 Ų112128.5 Ų128.573%0.72776%0.757SS**  -140165.188.141.3-29.1000117.5
420Q26.5Very low29.3Very low148 Ų148134.1 Ų134.169%0.69276%0.763SS**  trans-26.1161.9151.5-57.1168.6-105.800115.8D418D418-Q420 PolarHBondContact OD2-N 2.91Å
421E27.2Very low28.8Very low150 Ų150130.6 Ų130.670%0.70175%0.752SS**  cis-165.5-168.936.2-154.3145.4-120.300113.6
422E28.6Very low28.7Very low161 Ų161131.1 Ų131.175%0.75276%0.757SS**  trans-42.2160.2171.4-49.9171162.100115.6
423T26.5Very low28.6Very low111 Ų111135.2 Ų135.268%0.68176%0.759SS**  cis-175.9160.548.913.70000112.7
424L25.3Very low28.9Very low157 Ų157132.9 Ų132.982%0.82276%0.757SS**  trans29167.4135.5-58.3175000125
425S24.7Very low29.6Very low111 Ų111135.5 Ų135.578%0.77676%0.763SS**  trans82.6131.2170.272.80000116.3
426V26.9Very low29.7Very low136 Ų136132.5 Ų132.582%0.82475%0.748SS**  cis91.5141.829.7-179.80000113.1
427V27.8Very low30Very low123 Ų123133.3 Ų133.375%0.74575%0.754SS**  trans88.798-178.8-166.80000116.4
428R27.7Very low29.5Very low231 Ų231136.3 Ų136.387%0.87276%0.755SS**  37.4147.1114.9-147.6-175.4-161.5138.52.3120.4
429T27.1Very low29.9Very low104 Ų104138.3 Ų138.364%0.63876%0.76SS**  trans110.499.1148-52.40000116.6
430E26.9Very low30Very low193 Ų193138 Ų13890%0.90276%0.758SS**  57.2138.6124.8-156165.8-142.300121.7
431G27.3Very low30.7Very low62 Ų62137.4 Ų137.464%0.63976%0.755SS**  trans113.5106.3173.500000113
432G29.9Very low31.7Very low77 Ų77135.5 Ų135.579%0.79475%0.75SS**  trans-112.3147-176.300000113.9
433Y29.8Very low32.8Very low222 Ų222132 Ų13287%0.87174%0.744SS**  trans-152.1142.3166.817.1-95.4000110.6
434S36.1Very low34.1Very low113 Ų113132.8 Ų132.879%0.7974%0.739SS**  trans-142.6132.8170.4-171.20000105.2
435P42.3Very low35.6Very low113 Ų113127.8 Ų127.873%0.73472%0.718SS**  -138-175.281.443.9-29000111.5
436D29Very low37.5Very low109 Ų109127.8 Ų127.858%0.58371%0.709SS**  cis-151.2149.811.1-151.1-25.9000111.7F438D436-F438 VanDerWaalsContact CG-CE2 3.49Å; D436-F438 WeakPolarHBondContact OD1-CD2 3.5Å; D436-F438 VanDerWaalsContact OD1-CE2 3.3Å; D436-F438 WeakPolarHBondContact OD1-CE2 3.25Å; D436-F438 WeakPolarHBondContact OD2-CE2 3.44Å
437S32.5Very low38.7Very low118 Ų118128.6 Ų128.683%0.82570%0.698SS**  trans-167.883.9168.8-169.50000110.7Q439S437-Q439 PolarHBondContact O-N 3.35Å; S437-Q439 VanDerWaalsContact O-N 3.11Å
438F30.8Very low40.6Very low181 Ų181131.4 Ų131.479%0.79470%0.695SS**  trans-64.1108.6-177-71.7-76.5000113.7D436D436-F438 VanDerWaalsContact CG-CE2 3.49Å; D436-F438 WeakPolarHBondContact OD1-CD2 3.5Å; D436-F438 VanDerWaalsContact OD1-CE2 3.3Å; D436-F438 WeakPolarHBondContact OD1-CE2 3.25Å; D436-F438 WeakPolarHBondContact OD2-CE2 3.44Å
439Q35.1Very low42.8Very low172 Ų172125.3 Ų125.380%0.80468%0.68SS**  trans-130.7148.3151.5-103.1-161.7-13.200110.1S437 Q441S437-Q439 PolarHBondContact O-N 3.35Å; S437-Q439 VanDerWaalsContact O-N 3.11Å; Q439-Q441 PolarHBondContact O-N 2.8Å
440P41.3Very low45.5Very low105 Ų105124.3 Ų124.368%0.68267%0.67SS**  trans-7899.1-161.430.1-35.9000113.3
441Q41.8Very low47.9Very low136 Ų136121.2 Ų121.264%0.63665%0.65SS**  trans-93.6-14.9164.2-76.7-69-38.100112.7Q439 S443 Q444 S445Q439-Q441 PolarHBondContact O-N 2.8Å; Q441-S443 PolarHBondContact O-N 2.81Å; Q441-Q444 PolarHBondContact O-N 3.5Å; Q441-S445 PolarHBondContact O-N 3.31Å
442D49Very low50.3Low110 Ų110122.5 Ų122.559%0.58865%0.646SS**Hα-helixtrans-60.8-26.8-166.8-50.5-60.7000114Q444 S445 L446D442-Q444 VanDerWaalsContact C-N 3.28Å; D442-Q444 PolarHBondContact O-N 2.85Å; D442-S445 WeakPolarHBondContact CA-OG 3.33Å; D442-S445 PolarHBondContact O-OG 2.91Å; D442-L446 WeakPolarHBondContact O-CB 3.39Å; D442-L446 PolarHBondContact O-N 3.45Å
443S50Low52.8Low89 Ų89124.7 Ų124.762%0.62264%0.638SS**Hα-helixtrans-68.9-23.8177.361.70000113.6Q441Q441-S443 PolarHBondContact O-N 2.81Å
444Q54.4Low55.4Low126 Ų126120 Ų12059%0.58962%0.619SS**Hα-helixtrans-95.5-34.9176.9-65.2-16417.600112.9Q441 D442 R448Q441-Q444 PolarHBondContact O-N 3.5Å; D442-Q444 VanDerWaalsContact C-N 3.28Å; D442-Q444 PolarHBondContact O-N 2.85Å; Q444-R448 PolarHBondContact O-N 3.05Å; Q444-R448 VanDerWaalsContact O-N 3.09Å
445S56.9Low57.4Low53 Ų53116.9 Ų116.937%0.37160%0.6SS.*Hα-helixtrans-65.8-50.3171.551.50000110.8Q441 D442 Y447 R448 D449Q441-S445 PolarHBondContact O-N 3.31Å; D442-S445 WeakPolarHBondContact CA-OG 3.33Å; D442-S445 PolarHBondContact O-OG 2.91Å; S445-Y447 VanDerWaalsContact C-N 3.26Å; S445-Y447 PolarHBondContact O-N 3.06Å; S445-R448 CarbonylContact O-C 3.59Å; S445-R448 WeakPolarHBondContact O-CA 3.39Å; S445-R448 WeakPolarHBondContact O-CB 3.3Å; S445-R448 PolarHBondContact O-N 3.35Å; S445-D449 PolarHBondContact O-N 3.15Å
446L64.1Low59Low111 Ų111113.7 Ų113.758%0.58158%0.581SS**Hα-helixtrans-59.6-36.2178.7-166.2103.2000112.1D442 D449 I450D442-L446 WeakPolarHBondContact O-CB 3.39Å; D442-L446 PolarHBondContact O-N 3.45Å; L446-D449 PolarHBondContact O-N 3.49Å; L446-I450 HydrophobicContact CD2-CD1 3.89Å; L446-I450 HydrophobicContact CG-CD1 4.1Å; L446-I450 WeakPolarHBondContact O-CB 3.08Å; L446-I450 WeakPolarHBondContact O-CD1 3.44Å; L446-I450 WeakPolarHBondContact O-CG1 3.38Å; L446-I450 PolarHBondContact O-N 3.24Å
447Y52.9Low61.3Low152 Ų152114.2 Ų114.260%0.59658%0.583SS**Hα-helixtrans-66.7-44.1174.4-143.1-108.3000111.3S445 I450 W451S445-Y447 VanDerWaalsContact C-N 3.26Å; S445-Y447 PolarHBondContact O-N 3.06Å; Y447-I450 PolarHBondContact O-N 2.94Å; Y447-W451 AromaticContact CD1-CD1 3.71Å; Y447-W451 AromaticContact CD1-NE1 3.49Å; Y447-W451 AromaticContact CE1-CD1 3.96Å; Y447-W451 AromaticContact CE1-NE1 3.24Å; Y447-W451 AromaticContact CZ-NE1 3.97Å; Y447-W451 PolarHBondContact O-N 3.39Å; Y447-W451 VanDerWaalsContact O-N 3.09Å
448R67.1Low63.4Low182 Ų182113.8 Ų113.869%0.68757%0.568SS**Hα-helixtrans-60.3-42.7173.5-100.4178.5162.9131.8-6.3112.3Q444 S445 W451 T452Q444-R448 PolarHBondContact O-N 3.05Å; Q444-R448 VanDerWaalsContact O-N 3.09Å; S445-R448 CarbonylContact O-C 3.59Å; S445-R448 WeakPolarHBondContact O-CA 3.39Å; S445-R448 WeakPolarHBondContact O-CB 3.3Å; S445-R448 PolarHBondContact O-N 3.35Å; R448-W451 PolarHBondContact O-N 3.37Å; R448-T452 WeakPolarHBondContact O-CB 3.35Å; R448-T452 PolarHBondContact O-N 2.97Å; R448-T452 PolarHBondContact O-OG1 3.23Å
449D74.4Confident64.8Low103 Ų103111.8 Ų111.855%0.55156%0.561SS**Hα-helixtrans-67.2-40.5178.5-73.3-16.8000111.2S445 L446 W451 T452 L453S445-D449 PolarHBondContact O-N 3.15Å; L446-D449 PolarHBondContact O-N 3.49Å; D449-W451 VanDerWaalsContact C-N 3.34Å; D449-W451 PolarHBondContact O-N 2.79Å; D449-T452 PolarHBondContact O-N 3Å; D449-L453 WeakPolarHBondContact O-CB 3.21Å; D449-L453 PolarHBondContact O-N 3.39Å
450I84.4Confident66.2Low84 Ų84111.4 Ų111.443%0.43155%0.553SS.*Hα-helixtrans-60.5-42.2173.8-71.7163.2000111.3L446 Y447 R454L446-I450 HydrophobicContact CD2-CD1 3.89Å; L446-I450 HydrophobicContact CG-CD1 4.1Å; L446-I450 WeakPolarHBondContact O-CB 3.08Å; L446-I450 WeakPolarHBondContact O-CD1 3.44Å; L446-I450 WeakPolarHBondContact O-CG1 3.38Å; L446-I450 PolarHBondContact O-N 3.24Å; Y447-I450 PolarHBondContact O-N 2.94Å; I450-R454 VanDerWaalsContact O-CB 3.23Å; I450-R454 WeakPolarHBondContact O-CB 3.5Å; I450-R454 PolarHBondContact O-N 3.09Å
451W76.6Confident67.2Low128 Ų128109 Ų10949%0.48554%0.542SS..Hα-helixtrans-70.1-36.9176.1-75.8106.8000112.9Y447 R448 D449 R454 A455Y447-W451 AromaticContact CD1-CD1 3.71Å; Y447-W451 AromaticContact CD1-NE1 3.49Å; Y447-W451 AromaticContact CE1-CD1 3.96Å; Y447-W451 AromaticContact CE1-NE1 3.24Å; Y447-W451 AromaticContact CZ-NE1 3.97Å; Y447-W451 PolarHBondContact O-N 3.39Å; Y447-W451 VanDerWaalsContact O-N 3.09Å; R448-W451 PolarHBondContact O-N 3.37Å; D449-W451 VanDerWaalsContact C-N 3.34Å; D449-W451 PolarHBondContact O-N 2.79Å; W451-R454 PolarHBondContact O-N 2.73Å; W451-A455 PolarHBondContact O-N 3.33Å
452T78.4Confident67.7Low89 Ų89105.3 Ų105.355%0.54654%0.535SS..Hα-helixtrans-73.2-43.2-179.9-53.10000111.4R448 D449 R454 A455 S456R448-T452 WeakPolarHBondContact O-CB 3.35Å; R448-T452 PolarHBondContact O-N 2.97Å; R448-T452 PolarHBondContact O-OG1 3.23Å; D449-T452 PolarHBondContact O-N 3Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.86Å; T452-A455 PolarHBondContact O-N 3.02Å; T452-S456 WeakPolarHBondContact O-CB 3.12Å; T452-S456 PolarHBondContact O-N 3.09Å
453L82.6Confident67.6Low122 Ų122103.3 Ų103.364%0.63953%0.53SS*.Hα-helixtrans-58.7-42.6171.2179.164.4000111D449 S456 L457D449-L453 WeakPolarHBondContact O-CB 3.21Å; D449-L453 PolarHBondContact O-N 3.39Å; L453-S456 PolarHBondContact O-N 2.83Å; L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.27Å; L453-L457 PolarHBondContact O-N 2.88Å
454R84.5Confident67.8Low124 Ų124105.2 Ų105.247%0.46853%0.532SS..Hα-helixtrans-65.3-42.4177.4-166.6178.4-155.8150.711.5112.4I450 W451 T452 L457 E458I450-R454 VanDerWaalsContact O-CB 3.23Å; I450-R454 WeakPolarHBondContact O-CB 3.5Å; I450-R454 PolarHBondContact O-N 3.09Å; W451-R454 PolarHBondContact O-N 2.73Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.86Å; R454-L457 PolarHBondContact O-N 3.46Å; R454-E458 PolarHBondContact O-N 3.39Å
455A76.9Confident67.8Low47 Ų47107.4 Ų107.439%0.38854%0.543SS..Hα-helixtrans-64.4-42.2174.900000111.8W451 T452 E458 Q459W451-A455 PolarHBondContact O-N 3.33Å; T452-A455 PolarHBondContact O-N 3.02Å; A455-E458 PolarHBondContact O-N 3.08Å; A455-Q459 WeakPolarHBondContact O-CG 3.18Å; A455-Q459 PolarHBondContact O-N 3.08Å
456S75.8Confident67.3Low47 Ų47109.6 Ų109.633%0.32956%0.558SS.*Hα-helixtrans-65.4-38.7175.7-170.30000111.8T452 L453 Q459 Y460T452-S456 WeakPolarHBondContact O-CB 3.12Å; T452-S456 PolarHBondContact O-N 3.09Å; L453-S456 PolarHBondContact O-N 2.83Å; S456-Q459 WeakPolarHBondContact O-CB 3.33Å; S456-Q459 PolarHBondContact O-N 2.96Å; S456-Y460 WeakPolarHBondContact O-CD2 3.32Å; S456-Y460 PolarHBondContact O-N 3.2Å
457L78Confident66.5Low119 Ų119109 Ų10962%0.62356%0.564SS**Hα-helixtrans-67.9-39.8175.5-162.178.4000112.3L453 R454 Q459 Y460 A461L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.27Å; L453-L457 PolarHBondContact O-N 2.88Å; R454-L457 PolarHBondContact O-N 3.46Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.83Å; L457-Y460 PolarHBondContact O-N 3.16Å; L457-A461 WeakPolarHBondContact O-CB 3.38Å; L457-A461 PolarHBondContact O-N 2.79Å
458E75.6Confident66.2Low109 Ų109108.3 Ų108.351%0.50957%0.57SS.*Hα-helixtrans-62.8-35.5170.9-78.6-179.8147.500111.1R454 A455 A462 R667R454-E458 PolarHBondContact O-N 3.39Å; A455-E458 PolarHBondContact O-N 3.08Å; E458-A462 WeakPolarHBondContact O-CB 3.36Å; E458-A462 PolarHBondContact O-N 3.47Å; E458-R667 IonicContact OE1-NH2 2.87Å
459Q62.1Low65.3Low140 Ų140106.2 Ų106.265%0.65457%0.573SS**Hα-helixtrans-68.5-42.8173.1-75.1178.6-38.200113.3A455 S456 L457 A462 S463A455-Q459 WeakPolarHBondContact O-CG 3.18Å; A455-Q459 PolarHBondContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact O-CB 3.33Å; S456-Q459 PolarHBondContact O-N 2.96Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.83Å; Q459-A462 PolarHBondContact O-N 3.34Å; Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.25Å
460Y63.6Low63.9Low164 Ų164108.8 Ų108.864%0.64359%0.586SS**Hα-helixtrans-64.4-43.8175-88.5-74.4000111.9S456 L457 A462 S463 D464S456-Y460 WeakPolarHBondContact O-CD2 3.32Å; S456-Y460 PolarHBondContact O-N 3.2Å; L457-Y460 PolarHBondContact O-N 3.16Å; Y460-A462 VanDerWaalsContact C-N 3.3Å; Y460-A462 PolarHBondContact O-N 2.76Å; Y460-S463 WeakPolarHBondContact O-CB 3.33Å; Y460-S463 PolarHBondContact O-N 2.74Å; Y460-D464 PolarHBondContact O-N 3.34Å
461A62.1Low62Low53 Ų53116 Ų11644%0.43861%0.608SS.*Hα-helixtrans-63.3-34.4176.600000112.9L457L457-A461 WeakPolarHBondContact O-CB 3.38Å; L457-A461 PolarHBondContact O-N 2.79Å
462A51.5Low60.3Low59 Ų59116.6 Ų116.649%0.48862%0.621SS.*Hα-helixtrans-71-36.7170.900000112.3E458 Q459 Y460 Q465 S466E458-A462 WeakPolarHBondContact O-CB 3.36Å; E458-A462 PolarHBondContact O-N 3.47Å; Q459-A462 PolarHBondContact O-N 3.34Å; Y460-A462 VanDerWaalsContact C-N 3.3Å; Y460-A462 PolarHBondContact O-N 2.76Å; A462-Q465 PolarHBondContact O-N 3.42Å; A462-S466 VanDerWaalsContact O-CB 3.3Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.21Å
463S48.6Very low58.5Low69 Ų69117.7 Ų117.748%0.48363%0.632SS.*Hα-helixtrans-66.5-42.2179.4-166.40000112.6Q459 Y460 Q465 S466 S467Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.25Å; Y460-S463 WeakPolarHBondContact O-CB 3.33Å; Y460-S463 PolarHBondContact O-N 2.74Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.75Å; S463-S466 PolarHBondContact O-N 2.9Å; S463-S466 VanDerWaalsContact O-N 3.12Å; S463-S467 WeakPolarHBondContact O-CB 3.36Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.08Å
464D53.8Low56.3Low128 Ų128118 Ų11868%0.68464%0.639SS**Hα-helixtrans-62.1-39.1176-88.9-14.6000111.8Y460 S466Y460-D464 PolarHBondContact O-N 3.34Å; D464-S466 VanDerWaalsContact C-N 3.34Å
465Q53.3Low53.8Low172 Ų172117.8 Ų117.880%0.80466%0.655SS**Hα-helixtrans-73.2-25.9174.8-65.4-175.326.200112.7A462 S463A462-Q465 PolarHBondContact O-N 3.42Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.75Å
466S47.1Very low51.9Low100 Ų100120.7 Ų120.770%0.69967%0.673SS**Hα-helixtrans-81.2-15.3177.5-170.90000114.2A462 S463 D464A462-S466 VanDerWaalsContact O-CB 3.3Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.21Å; S463-S466 PolarHBondContact O-N 2.9Å; S463-S466 VanDerWaalsContact O-N 3.12Å; D464-S466 VanDerWaalsContact C-N 3.34Å
467S47.4Very low50Low99 Ų99126.1 Ų126.169%0.69270%0.698SS**SBendtrans-96.6-6.8-167.1-168.20000115.5S463S463-S467 WeakPolarHBondContact O-CB 3.36Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.08Å
468N47.2Very low47.9Very low136 Ų136124.7 Ų124.773%0.72770%0.703SS**  trans-12041.3-167-162.424.4000114.2
469N46.4Very low45.7Very low139 Ų139127.4 Ų127.474%0.74372%0.721SS**  trans-115.74.4-177.2-139.815.7000114.5
470D46.3Very low44.5Very low157 Ų157125.6 Ų125.684%0.8472%0.724SS**  trans-112.153180-83.3-47000112.7
471R44.1Very low42.9Very low235 Ų235123.8 Ų123.889%0.88773%0.73SS**  trans-130.858164.5-79-157.1167.2-168.1-2.9113
472N41.8Very low41.3Very low140 Ų140126.4 Ų126.475%0.74974%0.743SS**  trans-80148.5161.7-57.4-27.6000109.9
473S39.5Very low40.3Very low112 Ų112129.3 Ų129.378%0.78376%0.76SS**  trans92144.5164.2-153.30000119.5
474V35.8Very low39.4Very low129 Ų129133.3 Ų133.378%0.78278%0.775SS**  trans63.1129.7173.3-135.90000115
475C32.6Very low38.2Very low119 Ų119132.4 Ų132.480%0.80478%0.779SS**  cis-124.5150.817.8-49.50000114.8
476S37.4Very low37.1Very low109 Ų109130 Ų13076%0.76278%0.776SS**  trans-115.7173.4151.4-62.90000109.1
477D35Very low36.4Very low161 Ų161134.3 Ų134.386%0.86178%0.777SS**  trans73.388.2161.3-57.8-9.9000119.6
478A34.2Very low35.7Very low89 Ų89135 Ų13574%0.73678%0.778SS**  trans-165.6132.6140.800000107.1
479D30.9Very low34.8Very low165 Ų165133.8 Ų133.888%0.88277%0.771SS**  cis-142.7164.15.6-90-46.3000112.7
480S36.2Very low33.9Very low102 Ų102131.5 Ų131.571%0.71377%0.771SS**  trans-111.8161.3160.1-159.60000106.8
481V30.6Very low33Very low127 Ų127132.1 Ų132.177%0.7777%0.769SS**  -164.4153.955178.40000111.2
482C28.6Very low32.3Very low107 Ų107131.8 Ų131.872%0.72377%0.768SS**  trans-18.3150.2168.1-49.70000122.8
483S30.1Very low31.5Very low120 Ų120128.9 Ų128.984%0.83977%0.771SS**  -159.7126.1119.1-77.70000109
484L29.9Very low30.9Very low153 Ų153127.3 Ų127.380%0.80177%0.772SS**  cis9893.740-177.362.2000113.4
485S28.7Very low30.8Very low109 Ų109129.2 Ų129.276%0.76278%0.777SS**  trans-161.9116.8154.7-66.20000107.1
486V29.1Very low31.2Very low123 Ų123129.3 Ų129.375%0.74578%0.776SS**  66.4121.878.6169.10000110.9
487R32Very low30.6Very low189 Ų189129.5 Ų129.571%0.71378%0.778SS**  cis-161.6-1762.4-120.8176.6143.3169.2-9.3107.6D489R487-D489 IonicContact CZ-OD2 3.99Å; R487-D489 VanDerWaalsContact CZ-OD2 3.26Å; R487-D489 IonicContact NE-OD1 3.66Å; R487-D489 PolarHBondContact NE-OD1 3.25Å; R487-D489 IonicContact NE-OD2 2.79Å; R487-D489 PolarHBondContact NE-OD2 3.01Å; R487-D489 IonicContact NH2-OD2 2.73Å; R487-D489 PolarHBondContact NH2-OD2 3.13Å
488T32.5Very low30.5Very low115 Ų115132.2 Ų132.271%0.70678%0.777SS**  cis-163.2153.215.370000106.6
489D28.5Very low30.7Very low110 Ų110133.4 Ų133.459%0.58878%0.777SS**  cis-157.4172.7-26.1-111.76.9000108.3R487R487-D489 IonicContact CZ-OD2 3.99Å; R487-D489 VanDerWaalsContact CZ-OD2 3.26Å; R487-D489 IonicContact NE-OD1 3.66Å; R487-D489 PolarHBondContact NE-OD1 3.25Å; R487-D489 IonicContact NE-OD2 2.79Å; R487-D489 PolarHBondContact NE-OD2 3.01Å; R487-D489 IonicContact NH2-OD2 2.73Å; R487-D489 PolarHBondContact NH2-OD2 3.13Å
490A29.1Very low30.5Very low91 Ų91130.2 Ų130.275%0.75277%0.768SS**  trans-52.3169.9-18000000120.2
491E26.7Very low30.2Very low170 Ų170134 Ų13479%0.79478%0.775SS**  trans10.9131.2157.3-60.1-169.5159.400121
492R28.9Very low30Very low228 Ų228133.9 Ų133.986%0.8677%0.77SS**  -167.5143.6103.8-167.8145.1-72-131.6-8.5111.2
493G25.7Very low30.2Very low78 Ų78136.2 Ų136.280%0.80477%0.774SS**  trans-77.9166.1-172.100000116
494G25.6Very low30.4Very low79 Ų79133.4 Ų133.481%0.81476%0.764SS**  trans170.289.1175.500000113.8
495L33.9Very low30.6Very low170 Ų170133.4 Ų133.489%0.8977%0.765SS**  trans-74.2147.6144.4-71.5177000106.7
496P40.9Very low31Very low121 Ų121136.1 Ų136.179%0.78677%0.766SS**  cis-149.1-174.149.542.4-22.7000117.7
497S26.2Very low31.7Very low113 Ų113134.7 Ų134.779%0.7977%0.767SS**  trans89.2114152.3-139.60000119.9
498Y31.9Very low32.1Very low217 Ų217135.3 Ų135.385%0.85178%0.778SS**  trans-57.6156.7142.2-78.7-88.1000109.9
499P38.3Very low32.1Very low114 Ų114133.3 Ų133.374%0.7478%0.78SS**  -150.5-160.660.642.8-21000116.3
500S27.2Very low32.2Very low99 Ų99131.2 Ų131.269%0.69279%0.785SS**  trans86.7146.6170.6-38.90000115.8
501Q29.6Very low32.7Very low181 Ų181135.5 Ų135.585%0.84679%0.789SS**  cis67.8142.532.9-77.1-178.6-53.500113.4
502D26.9Very low33.5Very low125 Ų125134.9 Ų134.967%0.66879%0.786SS**  cis-161.8160-8.6-171.917.5000108.1
503L33.1Very low34Very low155 Ų155130.2 Ų130.281%0.81278%0.778SS**  trans57.4167.6173.9-66.7156.6000115.2
504G33.2Very low34.6Very low61 Ų61133.1 Ų133.163%0.62977%0.769SS**  cis115.897.5-0.400000111.9
505D35.6Very low34.8Very low153 Ų153135.8 Ų135.882%0.81876%0.764SS**  trans-161.4157.5154.7-138.221000113
506E36.6Very low34.4Very low166 Ų166135 Ų13578%0.77675%0.754SS**  trans-73-165.9-175.4-33.4-63.988.700112.4
507A43.9Very low33.8Very low94 Ų94137.2 Ų137.278%0.77775%0.751SS**  cis-165.4-167.67.500000111.9
508E38.9Very low33.9Very low202 Ų202135.6 Ų135.694%0.94475%0.745SS**  trans89.3131.8153-155.9167.6-124.300118
509G32.5Very low33.8Very low72 Ų72135.5 Ų135.574%0.74275%0.745SS**  cis174.8161.3-7.300000113.6
510G31.6Very low33.4Very low67 Ų67134.2 Ų134.269%0.69174%0.744SS**  trans106.294178.600000113.6
511E39.5Very low33.5Very low181 Ų181136.6 Ų136.685%0.84675%0.749SS**  77.887.274.988.1-171.916900111.9
512E42.8Very low33.6Very low156 Ų156136.5 Ų136.573%0.72975%0.748SS**  94.811875.486.6159.8118.500114.5K514E512-K514 IonicContact OE2-NZ 2.7Å; E512-K514 PolarHBondContact OE2-NZ 3.04Å
513D39.7Very low33.8Very low131 Ų131139.4 Ų139.470%0.70176%0.755SS**  -165.2126.8123.8-128.7-9.2000113.4
514K38.2Very low33.8Very low139 Ų139140.1 Ų140.160%0.60476%0.758SS**  trans11.5149.4138.8-58.8166.2-159.166.20118.8E512E512-K514 IonicContact OE2-NZ 2.7Å; E512-K514 PolarHBondContact OE2-NZ 3.04Å
515D29.5Very low33.5Very low134 Ų134139.7 Ų139.772%0.71775%0.754SS**  cis-175.2177.51.1-119-33000109
516F25.3Very low33.3Very low153 Ų153140.8 Ų140.867%0.67176%0.757SS**  cis-161.5111.6-8.1178.9-93.8000110.6
517F29.4Very low32.9Very low168 Ų168140 Ų14074%0.73775%0.753SS**  trans59.3175.3158.9-68.5-114.4000117.7
518A29.1Very low32.2Very low80 Ų80143 Ų14366%0.66175%0.751SS**  cis-154.7152.88.500000114.6
519Y28.7Very low31.7Very low215 Ų215138.2 Ų138.284%0.84374%0.74SS**  trans61.1115.9141.8-88.6-109.6000124.5
520A31.1Very low31.5Very low86 Ų86141.4 Ų141.471%0.71174%0.739SS**  60.7125.7117.900000122.8
521D28.2Very low31.5Very low150 Ų150145.6 Ų145.680%0.80274%0.738SS**  trans-70.5129.3144.9171.933.1000110.4
522E32.1Very low31Very low178 Ų178146.9 Ų146.983%0.83274%0.735SS**  trans-178.9132.6132.6-107-164.6165.900109.4
523K31Very low30.5Very low187 Ų187148.6 Ų148.681%0.81374%0.74SS**  trans-154.6104.4140.4-144.3176-174.6-178.80116.1
524L32.5Very low29.9Very low169 Ų169150.5 Ų150.589%0.88575%0.745SS**  trans-98.5153.4147.5-158.480.7000108.9
525G27.9Very low29.5Very low52 Ų52146.6 Ų146.654%0.53674%0.744SS.*  trans86.2114.1152.600000119.5
526M30.1Very low29.6Very low177 Ų177145 Ų14587%0.87274%0.744SS**  62.4137.7122.6-12866158.900123.8
527Q29.7Very low30.1Very low149 Ų149143.5 Ų143.570%0.69675%0.747SS**  trans77.6111143.7-139.7157.83.300122.9
528E27.5Very low30.1Very low156 Ų156144.8 Ų144.873%0.72976%0.755SS**  trans64.8140.3139.1-73.1171.1-137.900125.8
529S28.5Very low30.2Very low103 Ų103145.7 Ų145.772%0.7276%0.757SS**  trans104109140.878.80000120.7
530L30Very low30.6Very low139 Ų139144.7 Ų144.773%0.72876%0.76SS**  trans56.7113.9142.4-79.981.6000122.7
531K31.2Very low30.9Very low154 Ų154152.2 Ų152.267%0.6777%0.77SS**  79.8112.8123.3-75.3-174-172.8167.70121.9
532R29Very low31Very low209 Ų209148.4 Ų148.479%0.78977%0.766SS**  92132.4128.8-67.5171.8-59.9177.71.3120.3
533K31.7Very low30.9Very low191 Ų191145.3 Ų145.383%0.8376%0.764SS**  trans71153.2140.3-77.8-167.6172.5-164.20117.9
534H28.1Very low31.1Very low171 Ų171141.1 Ų141.179%0.79276%0.759SS**  cis-170156.7-24.5-160.3-89.7000109.3
535G29.1Very low31.2Very low58 Ų58141.2 Ų141.260%0.59876%0.76SS**  trans122.7118.6172.500000111.1
536S30.6Very low31.7Very low100 Ų100142 Ų14270%0.69977%0.768SS**  cis73.8128.849.2-61.10000112.9
537T35.7Very low32Very low122 Ų122142.4 Ų142.475%0.74877%0.768SS**  cis149.8150.1-15.933.60000105.6
538E29.8Very low32.7Very low194 Ų194140.6 Ų140.691%0.90777%0.772SS**  trans101.4151.4175.1102174.6-157.400114.9
539S31.8Very low33.2Very low100 Ų100137.3 Ų137.370%0.69978%0.78SS**  cis-171.2134.1-23.8151.90000109.8
540E38Very low34.3Very low194 Ų194138.7 Ų138.791%0.90778%0.784SS**  trans-157.5164.4142.6-122.5177.715200113.7
541R35.5Very low35.5Very low243 Ų243143.1 Ų143.192%0.91779%0.791SS**  trans-113.4158.6-179.8-61.4172.6175.5178.4-2.5108.8
542G31.9Very low36.2Very low70 Ų70146 Ų14672%0.72280%0.804SS**  cis151.1-172.8-0.900000111.6
543S28.9Very low37.2Very low114 Ų114144 Ų14480%0.79781%0.808SS**  trans90.7132.9170.8-160.20000119.5
544S35.2Very low37.8Very low99 Ų99143 Ų14369%0.69281%0.811SS**  trans47.3108.515250.70000119.2
545D35.4Very low38.9Very low170 Ų170142.3 Ų142.391%0.90981%0.808SS**  95.7142.862.1-173.331.3000112.1
546G37.7Very low39.9Very low69 Ų69147.8 Ų147.871%0.71182%0.82SS**  trans140.1115.3-173.500000114.5
547E37.8Very low40.7Very low185 Ų185149.4 Ų149.486%0.86482%0.82SS**  trans-78154.7-172.7-56.8158.997.600114.9
548S42.5Very low41.1Very low112 Ų112148.6 Ų148.678%0.78382%0.82SS**  177100.1119.739.70000113.1T550S548-T550 PolarHBondContact O-N 3.31Å
549G39.5Very low41.7Very low87 Ų87143.1 Ų143.190%0.89782%0.815SS**  trans-72.4124.3177.600000113.3R551G549-R551 PolarHBondContact O-N 3.02Å
550T51.3Low42.1Very low131 Ų131149.1 Ų149.180%0.80482%0.824SS**  trans-84.1115.1-17641.50000113.8S548 K552S548-T550 PolarHBondContact O-N 3.31Å; T550-K552 PolarHBondContact O-N 3.45Å
551R53.8Low42.2Very low233 Ų233144.4 Ų144.488%0.87982%0.818SS**  trans15.699.4144.6-52.4177.8-168.8-123.8-4.2115.6G549 L553G549-R551 PolarHBondContact O-N 3.02Å; R551-L553 PolarHBondContact O-N 3.47Å; R551-L553 VanDerWaalsContact O-N 3.17Å
552K45.8Very low42.2Very low214 Ų214138.3 Ų138.393%0.9381%0.813SS**  trans-61.6114.6170.4-64.9179.1-180178.50110.4T550T550-K552 PolarHBondContact O-N 3.45Å
553L50.4Low42.7Very low168 Ų168142.6 Ų142.688%0.8882%0.818SS**PPolyproline II helixtrans-79.4146.3164.9-71.7173.6000109.7R551 Q555R551-L553 PolarHBondContact O-N 3.47Å; R551-L553 VanDerWaalsContact O-N 3.17Å; L553-Q555 PolarHBondContact O-N 2.87Å
554L45.8Very low43.2Very low169 Ų169145.4 Ų145.489%0.88582%0.818SS**PPolyproline II helixtrans-70.1122178.3-80.2160.3000110.5
555Q50.7Low43.6Very low157 Ų157145.3 Ų145.373%0.73482%0.824SS**PPolyproline II helixtrans-65130.1169.3179.6175.1-32.800109.5L553 D557L553-Q555 PolarHBondContact O-N 2.87Å; Q555-D557 PolarHBondContact NE2-OD1 3.46Å
556M49Very low43.8Very low173 Ų173143.6 Ų143.685%0.85282%0.822SS**  trans-113.4107.7171.3-78.4-176.859.100109.2S558M556-S558 PolarHBondContact O-N 3.15Å; M556-S558 VanDerWaalsContact O-N 3.11Å
557D49.2Very low43.6Very low133 Ų133144.8 Ų144.871%0.71182%0.819SS**  trans-76.497.1-177.7-60.4-51.7000111.7Q555 G559Q555-D557 PolarHBondContact NE2-OD1 3.46Å; D557-G559 PolarHBondContact O-N 3.23Å
558S44.1Very low43.4Very low106 Ų106146.9 Ų146.974%0.74182%0.819SS**  trans-87.376.9174.564.40000111.7M556 Y560M556-S558 PolarHBondContact O-N 3.15Å; M556-S558 VanDerWaalsContact O-N 3.11Å; S558-Y560 PolarHBondContact O-N 3.43Å
559G41.3Very low43.1Very low78 Ų78144.7 Ų144.780%0.80481%0.814SS**  trans-69.2106175.500000112.9D557D557-G559 PolarHBondContact O-N 3.23Å
560Y39.4Very low43.1Very low226 Ų226145.3 Ų145.389%0.88680%0.803SS**  trans-109.9115.3161.9-90.4-84.8000109.3S558S558-Y560 PolarHBondContact O-N 3.43Å
561A41.5Very low42.2Very low95 Ų95146.9 Ų146.979%0.78580%0.801SS**  trans-92.1129.8174.500000110.6
562S35.9Very low41.1Very low116 Ų116142.3 Ų142.381%0.81179%0.794SS**  trans-65.9148.3163.2-52.80000110.4
563I42Very low40.6Very low160 Ų160137.5 Ų137.582%0.82178%0.778SS**  trans-132.7145.7155.371.2170.8000109
564E38.5Very low39.9Very low172 Ų172139.2 Ų139.280%0.80477%0.772SS**PPolyproline II helixtrans-84.8166.4-167.8-57.495.6139.300114.6
565A43.7Very low39.1Very low97 Ų97138.5 Ų138.580%0.80277%0.769SS**PPolyproline II helixtrans-87.4128.4166.100000110.9
566P39.3Very low38.1Very low134 Ų134139.4 Ų139.487%0.8777%0.771SS**PPolyproline II helixtrans-70.2158.6169.8-21.535.2000113.5
567S34Very low37Very low95 Ų95135.9 Ų135.966%0.66476%0.763SS**  trans-108.1176.1-168.662.20000114.4
568R33.2Very low36.1Very low228 Ų228134.8 Ų134.886%0.8677%0.766SS**  trans88.1127.9159.9-73.8-177.4163.884.4-3.7119.7
569G35.7Very low35.4Very low66 Ų66135.1 Ų135.168%0.6877%0.768SS**  trans-86-144.5143.700000110.1
570P40.9Very low34.8Very low100 Ų100136.5 Ų136.565%0.64977%0.766SS**  cis-135.6-154.321.923.45.4000113.5
571E32.4Very low34.5Very low164 Ų164132.9 Ų132.977%0.76676%0.76SS**  trans52.1149.9171.243.4-91-178.700123.1
572D31.2Very low34.1Very low137 Ų137133.9 Ų133.973%0.73376%0.756SS**  cis-167.1165.7-38.4-149.5-6.4000112.5
573L35.3Very low33.8Very low113 Ų113136 Ų13659%0.59276%0.759SS**  trans70.4129.9149.8-74159.7000124.2
574R34.5Very low33.1Very low204 Ų204133.6 Ų133.677%0.7776%0.756SS**  109.2101.8121.9-100.6173.7-74.8157.20.5121.3
575L28.5Very low33.3Very low155 Ų155130.7 Ų130.781%0.81275%0.752SS**SBendtrans-139.1119.4132.5-76.7178000110
576F30.2Very low32.7Very low176 Ų176136.1 Ų136.177%0.77276%0.757SS**  trans29.6114.8157.5-52.3-64.9000120.7
577S26.3Very low32.4Very low98 Ų98137.3 Ų137.369%0.68576%0.756SS**  84.1108.371.2-69.50000114.1
578S30.9Very low32.4Very low111 Ų111144.4 Ų144.478%0.77677%0.769SS**  101.9139.684-67.20000111.3
579S29.5Very low32.7Very low113 Ų113140.2 Ų140.279%0.7977%0.768SS**  cis-154.1142.615-61.10000114.1
580S28.8Very low32.5Very low107 Ų107140.4 Ų140.475%0.74876%0.764SS**  trans176.5120.2141.4-158.70000106.9
581I31.2Very low32.2Very low150 Ų150142.8 Ų142.877%0.76977%0.766SS**  60.4109.758.8-55.9176.2000109.4
582T34.4Very low32.2Very low115 Ų115140.9 Ų140.971%0.70676%0.757SS**  cis-135.5158.716.245.30000115.1
583D29.1Very low32.6Very low162 Ų162142.3 Ų142.387%0.86676%0.756SS**  trans65.5161.4151-67.6-19.3000122.8
584S27Very low32.9Very low108 Ų108146.1 Ų146.176%0.75576%0.763SS**  trans-157.4-174-167.375.20000109.5
585P44.2Very low33.1Very low111 Ų111144.2 Ų144.272%0.72176%0.763SS**  cis-128.5160.5-2037.6-24000113.1
586K30.1Very low33.3Very low211 Ų211144.9 Ų144.992%0.91776%0.761SS**  trans-168129.3145.9-118.8164.1-174.8167.90113.5
587D33Very low33.7Very low159 Ų159147.1 Ų147.185%0.8577%0.771SS**  trans-67.4134.6165.3-74.3-61.4000111.4
588R33.7Very low34.5Very low245 Ų245148.2 Ų148.293%0.92577%0.774SS**  trans-157.7109.3146.7-122.7172.5-178.6176.6-1112.7
589T39.1Very low34.7Very low139 Ų139151.1 Ų151.185%0.85378%0.78SS**  trans-52.6140.9161.9-37.60000111.4
590A32.7Very low35.1Very low70 Ų70150.3 Ų150.358%0.57978%0.781SS**  trans-171136141.800000114.5
591H35Very low35.4Very low150 Ų150149.1 Ų149.169%0.69479%0.786SS**  trans48.4146.9133.176.8-2.1000124.7
592E32Very low35.6Very low124 Ų124154 Ų15458%0.57979%0.794SS**  33.8108.1129.7-165.8-156.9140.500120R594E592-R594 IonicContact OE1-CZ 2.78Å; E592-R594 IonicContact OE1-NE 2.95Å; E592-R594 PolarHBondContact OE1-NE 2.84Å; E592-R594 IonicContact OE1-NH2 3.26Å; E592-R594 PolarHBondContact OE1-NH2 3.44Å
593K38.5Very low36.1Very low167 Ų167155.2 Ų155.273%0.72680%0.802SS**  trans-179.2156.3134.3-98.7145.8-174.6169.10110.3
594R43.1Very low36.7Very low193 Ų193151.4 Ų151.473%0.72880%0.801SS**  cis-161.7168.5-34.6-119.3179.1-153.3-165.60.9106.8E592E592-R594 IonicContact OE1-CZ 2.78Å; E592-R594 IonicContact OE1-NE 2.95Å; E592-R594 PolarHBondContact OE1-NE 2.84Å; E592-R594 IonicContact OE1-NH2 3.26Å; E592-R594 PolarHBondContact OE1-NH2 3.44Å
595H37.5Very low37.4Very low165 Ų165152.7 Ų152.776%0.76480%0.804SS**  trans-71.1172.1170.4-77.4-93.5000112.4
596H32.4Very low37.1Very low169 Ų169155.7 Ų155.778%0.78281%0.812SS**  trans84.2106.7168.6-42.4-70.7000117
597F38.4Very low37.3Very low222 Ų222148.4 Ų148.497%0.97480%0.798SS**  trans-117.3147138.3-86.3-79.9000108.5
598T44.3Very low37Very low122 Ų122150.3 Ų150.375%0.74880%0.801SS**  trans-100.7149-168.147.30000112.7
599N34.2Very low37Very low171 Ų171142.6 Ų142.691%0.91479%0.785SS**  trans-58.9136.8161.6-69-26.6000110.3
600A38.9Very low36.6Very low97 Ų97144.5 Ų144.580%0.80278%0.782SS**  trans-139.182.7171.100000109.3
601G34.2Very low36.6Very low82 Ų82149.4 Ų149.485%0.84579%0.792SS**  trans-78.7145.6169.200000110.7
602R36.7Very low36.3Very low252 Ų252146.5 Ų146.595%0.95179%0.789SS**  trans-141126.6164.9-156.1172.2-168.1169.94.2110
603T43.8Very low36.1Very low141 Ų141148 Ų14887%0.86580%0.796SS**  trans-80.1154.7179.543.20000111.4
604G41.3Very low35.7Very low82 Ų82145 Ų14585%0.84579%0.787SS**  trans-169.686.5178.800000111.5
605T41.7Very low34.9Very low135 Ų135145.6 Ų145.683%0.82880%0.796SS**  trans-99.1140.817747.80000111.3
606I39.2Very low34.7Very low173 Ų173145 Ų14589%0.88779%0.793SS**  trans-159.7148.2152.6-98.4145.6000106.8
607G33.3Very low34.5Very low59 Ų59146.7 Ų146.761%0.60880%0.801SS**  trans-121.7-151.7175.800000111.9
608E27.9Very low34.3Very low199 Ų199144.9 Ų144.993%0.9380%0.796SS**  trans68.5157.9-179-59.5-170.1122.900116.9
609S31.9Very low34.7Very low83 Ų83144 Ų14458%0.5879%0.792SS**  cis-166.4159.9-45.1-1480000111.6
610F32.2Very low34.6Very low179 Ų179144.2 Ų144.279%0.78579%0.788SS**  trans62.5152.4155.6-68.4-57.5000123.4
611E31Very low34.4Very low172 Ų172146.9 Ų146.980%0.80479%0.788SS**  trans56.8148.5152.5-72.8168.8115.200118.9
612S28.6Very low34.4Very low90 Ų90150.2 Ų150.263%0.62978%0.782SS**  cis176.7-177.6-11.259.60000103.6
613H29.8Very low34.2Very low154 Ų154145.2 Ų145.271%0.71377%0.773SS**  cis-155.9145.28-123.8-56.3000108
614L28.5Very low33.7Very low104 Ų104145 Ų14555%0.54577%0.766SS.*  62.4128.4124.3-166.6141000122.6E616L614-E616 HydrophobicContact CD1-CG 4.03Å; L614-E616 HydrophobicContact CD2-CG 4.38Å; L614-E616 HydrophobicContact CG-CG 4.14Å
615F27Very low33.3Very low207 Ų207149 Ų14991%0.90877%0.768SS**  -138.6135.3128.6-121.8-84.2000109.2
616E32.5Very low32.6Very low153 Ų153146.5 Ų146.572%0.71577%0.769SS**  trans-99.5154175.4-67.6164.5109.400110.2L614L614-E616 HydrophobicContact CD1-CG 4.03Å; L614-E616 HydrophobicContact CD2-CG 4.38Å; L614-E616 HydrophobicContact CG-CG 4.14Å
617E28.8Very low32.2Very low203 Ų203143.3 Ų143.395%0.94977%0.768SS**  trans-149.789.9161.3-164.3165.3-167.300111.8
618E34.6Very low32.1Very low184 Ų184146.1 Ų146.186%0.8678%0.778SS**  trans-148.9164.1162.7-117-159.7128.700106.2
619P51.4Low32.2Very low103 Ų103140.6 Ų140.667%0.66977%0.774SS**  cis-113.1-135.418.727.8-3.3000110.9
620E33.8Very low32Very low176 Ų176140.3 Ų140.382%0.82279%0.785SS**  cis-162.8157.36.538.2180-124.600109.2
621D35.1Very low32Very low153 Ų153138.7 Ų138.782%0.81879%0.789SS**  cis-165.6-176.8-25-171.615.1000108
622E33.8Very low32.4Very low152 Ų152136.2 Ų136.271%0.7179%0.788SS**  trans70.4122.2165.6-59.5-163.5114.700120.4
623L31.7Very low32.4Very low147 Ų147140.9 Ų140.977%0.7780%0.802SS**  177.196.6101.7-91.1173000114.8
624L33.1Very low32.5Very low136 Ų136141.1 Ų141.171%0.71280%0.804SS**  trans56134.9135.3-60.2-179.5000125.1
625L33Very low32.6Very low168 Ų168143.8 Ų143.888%0.8882%0.817SS**  trans76.7140.1139.5-103.568.6000121.7
626G27.3Very low32.7Very low82 Ų82137.1 Ų137.185%0.84581%0.807SS**  trans145.186.1156.400000116
627A31.9Very low32.8Very low105 Ų105134.8 Ų134.887%0.86881%0.814SS**  trans-83.7172.3-17900000114.8
628S29.8Very low32.7Very low118 Ų118131.3 Ų131.383%0.82581%0.811SS**  trans89.889.2154.4-167.80000120.4
629G29.7Very low32.6Very low83 Ų83126.8 Ų126.886%0.85681%0.805SS**  66.1114.3108.800000120.7
630G29.2Very low31.9Very low78 Ų78129.7 Ų129.780%0.80481%0.814SS**  trans-156.7143.1163.700000110.8
631V30.9Very low31.6Very low144 Ų144126.6 Ų126.687%0.87381%0.812SS**  trans-91.6139.2-172.3176.20000110.8
632P39.1Very low31.3Very low120 Ų120131.1 Ų131.178%0.77982%0.818SS**  trans-76.9163.517932.8-37.6000113
633M29Very low31.2Very low189 Ų189131.3 Ų131.393%0.93182%0.823SS**  trans-135.6150.2161.9-149.9169.8-158.800111.4
634E32.9Very low31.6Very low159 Ų159129.5 Ų129.574%0.74382%0.82SS**  trans-79162.8-160.6-70.117593.900117
635I30.5Very low31.6Very low160 Ų160134 Ų13482%0.82183%0.829SS**  trans69.1133.1143.6-74.2159.3000117.5
636G27.9Very low31.8Very low67 Ų67129.7 Ų129.769%0.69183%0.826SS**  cis-178.6-172.1-0.800000114.2
637A34.8Very low32Very low104 Ų104135 Ų13586%0.8683%0.829SS**  trans-74.8143-173.300000113.1
638S26.7Very low32Very low129 Ų129138 Ų13890%0.90283%0.827SS**  trans-139.7127.8157.7-800000107.9
639A32.9Very low32.2Very low89 Ų89140.2 Ų140.274%0.73683%0.829SS**  trans-116.9163-174.700000111.4
640L37.1Very low32.4Very low164 Ų164143.3 Ų143.386%0.85983%0.826SS**  trans68.2114.5167.7-51.4175.4000117.3
641S27.2Very low32.8Very low111 Ų111145.1 Ų145.178%0.77682%0.823SS**  -143.8112.3128.750.80000110
642W29.6Very low32.7Very low248 Ų248148 Ų14894%0.93982%0.818SS**  trans-101.4134.9159-9074.2000106.9
643L30.6Very low32.3Very low156 Ų156149.7 Ų149.782%0.81782%0.816SS**  trans-131146.4176.1-74.6173.6000111
644P41.4Very low32.4Very low110 Ų110145.7 Ų145.771%0.71481%0.813SS**  trans-90.7-178.5-177.837.8-37.1000113.4
645Y31.3Very low32.6Very low229 Ų229143 Ų14390%0.89882%0.818SS**  trans79.787.5170.3-91-88.5000119.2
646G38.4Very low32.9Very low79 Ų79144.4 Ų144.481%0.81482%0.821SS**  51.3105.9117.700000120.7
647Q30.9Very low33.3Very low192 Ų192146.6 Ų146.690%0.89782%0.823SS**  trans-139.4140.1157.8-170.4163.7-24.800110.9
648M32.8Very low33.4Very low168 Ų168147.8 Ų147.883%0.82882%0.822SS**  trans-82.8138.7-179.8-79169.746.700112.4
649L33.6Very low33.8Very low166 Ų166146.3 Ų146.387%0.86982%0.818SS**  trans-140.6146.8153.4-73.4179.1000111.3
650N33.3Very low34.2Very low148 Ų148150.6 Ų150.679%0.79182%0.823SS**  trans-143.5156.8168.1-100.8-61.2000105.3
651P38.8Very low34.4Very low116 Ų116148.3 Ų148.375%0.75382%0.817SS**  cis-139.8-173.626.439.9-20.7000116.2
652R26.9Very low35.1Very low204 Ų204150.6 Ų150.677%0.7782%0.819SS**  trans10495.1138.3-162.7164-164.2-173.42.5120
653E31.3Very low35.5Very low156 Ų156144.7 Ų144.773%0.72981%0.811SS**  61.472.3120.4-158.2172.2-129.200118.8
654A30.9Very low36Very low105 Ų105144.6 Ų144.687%0.86881%0.81SS**  trans-144.3144.5151.400000109.6
655A37.6Very low36.2Very low103 Ų103148.4 Ų148.485%0.85182%0.818SS**  trans-97.1121-173.900000112.4
656Q36.5Very low36.7Very low188 Ų188147 Ų14788%0.87981%0.811SS**  trans-142.7152.7164.3-77.8-160.6-9.100110.9
657P37.3Very low37.7Very low114 Ų114149.9 Ų149.974%0.7480%0.797SS**PPolyproline II helixtrans-78.2157.6-173.932.4-36.5000113.2A659P657-A659 PolarHBondContact O-N 2.91Å
658P36.6Very low38.6Very low128 Ų128146.2 Ų146.283%0.83178%0.784SS**PPolyproline II helixtrans-70.6123.3178.428.7-34.2000111.8
659A35.7Very low40.1Very low98 Ų98146.5 Ų146.581%0.8178%0.777SS**PPolyproline II helixtrans-64144.516600000110.6P657P657-A659 PolarHBondContact O-N 2.91Å
660Q39.7Very low41.9Very low180 Ų180143.3 Ų143.384%0.84177%0.769SS**PPolyproline II helixtrans-72.7141.8179.1-61.8-176.810.600110.8I662Q660-I662 PolarHBondContact O-N 3.47Å
661P41.7Very low43.9Very low115 Ų115141.1 Ų141.175%0.74776%0.756SS**PPolyproline II helixtrans-67.3132.4173.428.7-33.7000110T663P661-T663 PolarHBondContact O-N 3.35Å
662I41.8Very low46.1Very low159 Ų159139.4 Ų139.482%0.81574%0.741SS**  trans-63.2107.6175.6-61.8171.4000108.5Q660 L664Q660-I662 PolarHBondContact O-N 3.47Å; I662-L664 PolarHBondContact O-N 2.84Å
663T38Very low48.8Very low125 Ų125138 Ų13877%0.76774%0.743SS**  trans-71.799173.951.30000109.1P661 H665P661-T663 PolarHBondContact O-N 3.35Å; T663-H665 PolarHBondContact O-N 3.1Å
664L41.5Very low51.4Low154 Ų154138.4 Ų138.481%0.80674%0.742SS**  trans-48.9134.5164.4-66.9174.4000108.9I662 R666I662-L664 PolarHBondContact O-N 2.84Å; L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 3.31Å
665H46Very low54.1Low189 Ų189136.8 Ų136.888%0.87572%0.722SS**  trans-60.195.3-179.6-96.9-86.2000110.7T663 R667T663-H665 PolarHBondContact O-N 3.1Å; H665-R667 PolarHBondContact O-N 3.02Å
666R42.3Very low56.5Low199 Ų199134.8 Ų134.875%0.75170%0.697SS**  trans-62.7108.5164.9-164.5175-152.9-85.7-2.7106L664 D668L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 3.31Å; R666-D668 IonicContact NH1-OD1 3.55Å; R666-D668 PolarHBondContact O-N 2.78Å
667R57.9Low58.9Low140 Ų140128.3 Ų128.353%0.52868%0.675SS.*  trans-62.3106.1165.9-76.4179.7168.4101.8-15105.6E458 H665 Y669E458-R667 IonicContact OE1-NH2 2.87Å; H665-R667 PolarHBondContact O-N 3.02Å; R667-Y669 HydrophobicContact CB-CD2 4.49Å; R667-Y669 HydrophobicContact CB-CE2 3.93Å; R667-Y669 WeakPolarHBondContact O-CD2 3.41Å; R667-Y669 WeakPolarHBondContact O-CE2 3.09Å; R667-Y669 PolarHBondContact O-N 3.15Å
668D51.5Low61.4Low115 Ų115128.1 Ų128.162%0.61567%0.667SS**  trans-73.296.3178.5-79.7-34.3000108.5R666 S670R666-D668 IonicContact NH1-OD1 3.55Å; R666-D668 PolarHBondContact O-N 2.78Å; D668-S670 PolarHBondContact O-N 2.78Å
669Y62.8Low63.7Low174 Ų174127.3 Ų127.368%0.68265%0.651SS**  trans-70.746.6168.9-61.7-78.3000111.1R667 I671R667-Y669 HydrophobicContact CB-CD2 4.49Å; R667-Y669 HydrophobicContact CB-CE2 3.93Å; R667-Y669 WeakPolarHBondContact O-CD2 3.41Å; R667-Y669 WeakPolarHBondContact O-CE2 3.09Å; R667-Y669 PolarHBondContact O-N 3.15Å; Y669-I671 PolarHBondContact O-N 3.08Å; Y669-I671 VanDerWaalsContact O-N 3.08Å
670S71.8Confident66Low99 Ų99127.2 Ų127.269%0.69263%0.633SS**  trans-69.299.4161.8550000107.3D668 D672D668-S670 PolarHBondContact O-N 2.78Å; S670-D672 PolarHBondContact O-N 3.02Å
671I75.8Confident68Low103 Ų103122.6 Ų122.653%0.52861%0.612SS.*  trans-53128.7165.5-54.8177.8000106.8Y669 T675 D676Y669-I671 PolarHBondContact O-N 3.08Å; Y669-I671 VanDerWaalsContact O-N 3.08Å; I671-T675 HydrophobicContact CG2-CG2 3.66Å; I671-D676 HydrophobicContact CG2-CB 3.98Å
672D84.8Confident70.1Confident80 Ų80123.9 Ų123.943%0.42861%0.606SS.*  trans-68.6156.7179.470.1-83.9000110.7S670 K674 T675 D676S670-D672 PolarHBondContact O-N 3.02Å; D672-K674 PolarHBondContact O-N 2.76Å; D672-K674 WeakPolarHBondContact OD2-CA 3.19Å; D672-K674 VanDerWaalsContact OD2-CB 3.23Å; D672-K674 WeakPolarHBondContact OD2-CB 3.42Å; D672-K674 PolarHBondContact OD2-N 3.17Å; D672-T675 PolarHBondContact O-N 3.11Å; D672-T675 VanDerWaalsContact O-N 3.1Å; D672-T675 WeakPolarHBondContact OD1-CB 3.4Å; D672-T675 PolarHBondContact OD1-OG1 2.86Å; D672-T675 PolarHBondContact OD2-N 3.26Å; D672-D676 WeakPolarHBondContact O-CB 3.34Å; D672-D676 PolarHBondContact O-N 3.06Å
673E83.9Confident72Confident174 Ų174118.2 Ų118.281%0.81358%0.577SS**Hα-helixtrans-58.9-22.8-174.5-170.1171.2-173.100113.4A677E673-A677 WeakPolarHBondContact O-CB 3.07Å; E673-A677 PolarHBondContact O-N 3.39Å; E673-A677 VanDerWaalsContact O-N 3.08Å
674K85.3Confident73.9Confident165 Ų165118.7 Ų118.772%0.71757%0.565SS**Hα-helixtrans-80.8-46.9175.7-50.5-178.2179.8-1760111.1D672 D676 A677 L678D672-K674 PolarHBondContact O-N 2.76Å; D672-K674 WeakPolarHBondContact OD2-CA 3.19Å; D672-K674 VanDerWaalsContact OD2-CB 3.23Å; D672-K674 WeakPolarHBondContact OD2-CB 3.42Å; D672-K674 PolarHBondContact OD2-N 3.17Å; K674-D676 VanDerWaalsContact C-N 3.3Å; K674-D676 PolarHBondContact O-N 3.05Å; K674-A677 PolarHBondContact O-N 3.39Å; K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 VanDerWaalsContact O-CG 3.3Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 2.86Å
675T86.9Confident75.5Confident71 Ų71117.8 Ų117.844%0.43656%0.556SS.*Hα-helixtrans-65.8-34.5176.2-55.50000111.6I671 D672 L678 F679I671-T675 HydrophobicContact CG2-CG2 3.66Å; D672-T675 PolarHBondContact O-N 3.11Å; D672-T675 VanDerWaalsContact O-N 3.1Å; D672-T675 WeakPolarHBondContact OD1-CB 3.4Å; D672-T675 PolarHBondContact OD1-OG1 2.86Å; D672-T675 PolarHBondContact OD2-N 3.26Å; T675-L678 PolarHBondContact O-N 3.22Å; T675-F679 WeakPolarHBondContact O-CB 3.38Å; T675-F679 PolarHBondContact O-N 3.31Å
676D88.4Confident77Confident61 Ų61110.6 Ų110.633%0.32652%0.524SS..Hα-helixtrans-69-40.5173.2-173.157.7000111.6I671 D672 K674 F679 H680I671-D676 HydrophobicContact CG2-CB 3.98Å; D672-D676 WeakPolarHBondContact O-CB 3.34Å; D672-D676 PolarHBondContact O-N 3.06Å; K674-D676 VanDerWaalsContact C-N 3.3Å; K674-D676 PolarHBondContact O-N 3.05Å; D676-F679 PolarHBondContact O-N 2.82Å; D676-H680 WeakPolarHBondContact O-CB 3.4Å; D676-H680 PolarHBondContact O-N 3.05Å; D676-H680 PolarHBondContact O-ND1 3.12Å; D676-H680 IonicContact OD1-CE1 2.84Å; D676-H680 PolarHBondContact OD1-CE1 3.33Å; D676-H680 IonicContact OD1-ND1 2.91Å; D676-H680 PolarHBondContact OD1-ND1 3.44Å; D676-H680 IonicContact OD2-CE1 3.35Å; D676-H680 PolarHBondContact OD2-CE1 2.88Å; D676-H680 IonicContact OD2-ND1 2.65Å; D676-H680 PolarHBondContact OD2-ND1 2.94Å
677A87.1Confident78.1Confident51 Ų51106.2 Ų106.242%0.42152%0.522SS..Hα-helixtrans-63.5-39.3172.700000112.6E673 K674 H680 E681E673-A677 WeakPolarHBondContact O-CB 3.07Å; E673-A677 PolarHBondContact O-N 3.39Å; E673-A677 VanDerWaalsContact O-N 3.08Å; K674-A677 PolarHBondContact O-N 3.39Å; A677-H680 CarbonylContact O-C 3.48Å; A677-H680 PolarHBondContact O-N 3.28Å; A677-E681 WeakPolarHBondContact O-CB 3.44Å; A677-E681 PolarHBondContact O-N 3.33Å
678L90.6Very high78.3Confident111 Ų111107 Ų10758%0.58153%0.531SS*.Hα-helixtrans-66.8-39.4174.7-74.1168.1000112K674 T675 E681 F682K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 VanDerWaalsContact O-CG 3.3Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 2.86Å; T675-L678 PolarHBondContact O-N 3.22Å; L678-E681 WeakPolarHBondContact O-CB 3.44Å; L678-E681 PolarHBondContact O-N 3.04Å; L678-E681 VanDerWaalsContact O-N 3.14Å; L678-F682 PolarHBondContact O-N 2.93Å
679F83.9Confident78.6Confident111 Ų111106.7 Ų106.749%0.48752%0.524SS..Hα-helixtrans-63.8-45173.4-177-111.8000111.4T675 D676 E681 F682 L683T675-F679 WeakPolarHBondContact O-CB 3.38Å; T675-F679 PolarHBondContact O-N 3.31Å; D676-F679 PolarHBondContact O-N 2.82Å; F679-E681 PolarHBondContact O-N 2.95Å; F679-F682 PolarHBondContact O-N 3.38Å; F679-L683 HydrophobicContact CD1-CD1 3.95Å; F679-L683 HydrophobicContact CE1-CD1 3.51Å; F679-L683 HydrophobicContact CE1-CG 4.37Å; F679-L683 HydrophobicContact CE2-CD1 4.47Å; F679-L683 HydrophobicContact CZ-CD1 3.81Å; F679-L683 HydrophobicContact CZ-CG 4.31Å; F679-L683 WeakPolarHBondContact O-CG 3.48Å; F679-L683 PolarHBondContact O-N 3.48Å
680H83.6Confident78.4Confident96 Ų96105.5 Ų105.544%0.44453%0.53SS..Hα-helixtrans-70.6-12.5172.2-72.296.1000113.9D676 A677 R684D676-H680 WeakPolarHBondContact O-CB 3.4Å; D676-H680 PolarHBondContact O-N 3.05Å; D676-H680 PolarHBondContact O-ND1 3.12Å; D676-H680 IonicContact OD1-CE1 2.84Å; D676-H680 PolarHBondContact OD1-CE1 3.33Å; D676-H680 IonicContact OD1-ND1 2.91Å; D676-H680 PolarHBondContact OD1-ND1 3.44Å; D676-H680 IonicContact OD2-CE1 3.35Å; D676-H680 PolarHBondContact OD2-CE1 2.88Å; D676-H680 IonicContact OD2-ND1 2.65Å; D676-H680 PolarHBondContact OD2-ND1 2.94Å; A677-H680 CarbonylContact O-C 3.48Å; A677-H680 PolarHBondContact O-N 3.28Å; H680-R684 VanDerWaalsContact O-CG 3.23Å; H680-R684 WeakPolarHBondContact O-CG 3.48Å; H680-R684 PolarHBondContact O-NE 3.38Å
681E83.3Confident77.4Confident83 Ų83108.5 Ų108.539%0.38854%0.537SS..Hα-helixtrans-82.3-46.9168.6-169.9124-102.300110.8A677 L678 F679 L683 R684 H685A677-E681 WeakPolarHBondContact O-CB 3.44Å; A677-E681 PolarHBondContact O-N 3.33Å; L678-E681 WeakPolarHBondContact O-CB 3.44Å; L678-E681 PolarHBondContact O-N 3.04Å; L678-E681 VanDerWaalsContact O-N 3.14Å; F679-E681 PolarHBondContact O-N 2.95Å; E681-L683 PolarHBondContact O-N 3.4Å; E681-R684 VanDerWaalsContact CA-NH2 3.32Å; E681-R684 VanDerWaalsContact CB-NH2 3.34Å; E681-R684 WeakPolarHBondContact O-CB 3.45Å; E681-R684 PolarHBondContact O-N 2.96Å; E681-R684 IonicContact OE1-CZ 3.87Å; E681-R684 IonicContact OE1-NH1 3.15Å; E681-R684 PolarHBondContact OE1-NH1 2.7Å; E681-R684 IonicContact OE1-NH2 3.55Å; E681-R684 PolarHBondContact OE1-NH2 2.79Å; E681-R684 IonicContact OE2-NH2 3.46Å; E681-H685 PolarHBondContact O-CD2 2.93Å; E681-H685 PolarHBondContact O-N 2.85Å
682F84.5Confident76.2Confident141 Ų141110.4 Ų110.462%0.61854%0.544SS*.Hα-helixtrans-56.7-47.4173.5-175.2-96.5000111.7L678 F679 R684 H685 D686L678-F682 PolarHBondContact O-N 2.93Å; F679-F682 PolarHBondContact O-N 3.38Å; F682-R684 VanDerWaalsContact C-N 3.26Å; F682-R684 PolarHBondContact O-N 2.88Å; F682-H685 CarbonylContact O-C 3.52Å; F682-H685 WeakPolarHBondContact O-CA 3.34Å; F682-H685 PolarHBondContact O-N 3.14Å; F682-D686 PolarHBondContact O-N 2.84Å
683L83.1Confident74.2Confident40 Ų40114.7 Ų114.721%0.20956%0.562CS.*THydrogen-bonded Turntrans-65.1-23.1175.7-69178.4000114.1F679 E681 F689F679-L683 HydrophobicContact CD1-CD1 3.95Å; F679-L683 HydrophobicContact CE1-CD1 3.51Å; F679-L683 HydrophobicContact CE1-CG 4.37Å; F679-L683 HydrophobicContact CE2-CD1 4.47Å; F679-L683 HydrophobicContact CZ-CD1 3.81Å; F679-L683 HydrophobicContact CZ-CG 4.31Å; F679-L683 WeakPolarHBondContact O-CG 3.48Å; F679-L683 PolarHBondContact O-N 3.48Å; E681-L683 PolarHBondContact O-N 3.4Å; L683-F689 HydrophobicContact CD2-CD1 4.2Å; L683-F689 HydrophobicContact CD2-CD2 3.74Å; L683-F689 HydrophobicContact CD2-CE1 4.07Å; L683-F689 HydrophobicContact CD2-CE2 3.6Å; L683-F689 HydrophobicContact CD2-CG 4.04Å; L683-F689 HydrophobicContact CD2-CZ 3.77Å
684R77.1Confident72.2Confident136 Ų136111.8 Ų111.851%0.51356%0.561SS.*THydrogen-bonded Turntrans-79.2-6.3171.3-82.5-178.7-67.8121.4-13.4113.4H680 E681 F682H680-R684 VanDerWaalsContact O-CG 3.23Å; H680-R684 WeakPolarHBondContact O-CG 3.48Å; H680-R684 PolarHBondContact O-NE 3.38Å; E681-R684 VanDerWaalsContact CA-NH2 3.32Å; E681-R684 VanDerWaalsContact CB-NH2 3.34Å; E681-R684 WeakPolarHBondContact O-CB 3.45Å; E681-R684 PolarHBondContact O-N 2.96Å; E681-R684 IonicContact OE1-CZ 3.87Å; E681-R684 IonicContact OE1-NH1 3.15Å; E681-R684 PolarHBondContact OE1-NH1 2.7Å; E681-R684 IonicContact OE1-NH2 3.55Å; E681-R684 PolarHBondContact OE1-NH2 2.79Å; E681-R684 IonicContact OE2-NH2 3.46Å; F682-R684 VanDerWaalsContact C-N 3.26Å; F682-R684 PolarHBondContact O-N 2.88Å
685H74.3Confident70.1Confident134 Ų134109 Ų10962%0.6256%0.559SS**THydrogen-bonded Turntrans-122.6-3-177.5-67.4-47.6000113.6E681 F682 P687E681-H685 PolarHBondContact O-CD2 2.93Å; E681-H685 PolarHBondContact O-N 2.85Å; F682-H685 CarbonylContact O-C 3.52Å; F682-H685 WeakPolarHBondContact O-CA 3.34Å; F682-H685 PolarHBondContact O-N 3.14Å; H685-P687 WeakPolarHBondContact O-CD 3.3Å
686D79.1Confident68.2Low39 Ų39117.1 Ų117.121%0.20958%0.582CS.*  trans-78.1114.8167-175.1-12000110.7F682 Q688 F689F682-D686 PolarHBondContact O-N 2.84Å; D686-Q688 PolarHBondContact O-N 2.89Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CG 3.44Å; D686-Q688 PolarHBondContact OD1-N 3.44Å; D686-F689 HydrophobicContact CB-CB 4.46Å; D686-F689 HydrophobicContact CB-CD2 4.29Å; D686-F689 PolarHBondContact O-N 2.87Å; D686-F689 VanDerWaalsContact O-N 3.13Å
687P64.8Low66Low107 Ų107123.3 Ų123.370%0.69561%0.606SS**THydrogen-bonded Turntrans-62.5-13.2178.5-2134.3000114.7H685H685-P687 WeakPolarHBondContact O-CD 3.3Å
688Q62.4Low64Low156 Ų156128.7 Ų128.773%0.72962%0.622SS**THydrogen-bonded Turntrans-82.5-28.4177.2-55.8-168.92.500112.2D686D686-Q688 PolarHBondContact O-N 2.89Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CG 3.44Å; D686-Q688 PolarHBondContact OD1-N 3.44Å
689F58.3Low61.6Low108 Ų108133.4 Ų133.447%0.47463%0.632SS.*G310 helixtrans-80-27-178.3-96.5-91.1000114.1L683 D686 L691 Q692L683-F689 HydrophobicContact CD2-CD1 4.2Å; L683-F689 HydrophobicContact CD2-CD2 3.74Å; L683-F689 HydrophobicContact CD2-CE1 4.07Å; L683-F689 HydrophobicContact CD2-CE2 3.6Å; L683-F689 HydrophobicContact CD2-CG 4.04Å; L683-F689 HydrophobicContact CD2-CZ 3.77Å; D686-F689 HydrophobicContact CB-CB 4.46Å; D686-F689 HydrophobicContact CB-CD2 4.29Å; D686-F689 PolarHBondContact O-N 2.87Å; D686-F689 VanDerWaalsContact O-N 3.13Å; F689-L691 PolarHBondContact O-N 3.28Å; F689-Q692 PolarHBondContact O-N 3.08Å; F689-Q692 VanDerWaalsContact O-O 3.14Å
690D56.9Low59.6Low150 Ų150131.5 Ų131.580%0.80263%0.632SS**G310 helixtrans-58.9-19177.4-107.8-14.5000113.7
691L51.3Low58.3Low161 Ų161137.2 Ų137.284%0.84365%0.65SS**G310 helixtrans-87.3-14.7178.2-84.3157.3000114.3F689F689-L691 PolarHBondContact O-N 3.28Å
692Q51.3Low56.7Low143 Ų143139 Ų13967%0.66867%0.666SS**SBendtrans-133.9122.1-170-154.9166-14.700112.4F689F689-Q692 PolarHBondContact O-N 3.08Å; F689-Q692 VanDerWaalsContact O-O 3.14Å
693E41.6Very low55.3Low171 Ų171138.5 Ų138.580%0.79967%0.665SS**  trans65.771.7175.5-51.9-157.7169.300118P695E693-P695 WeakPolarHBondContact O-CD 3.5Å
694S41.8Very low53.4Low113 Ų113141.5 Ų141.579%0.7968%0.681SS**  trans-61.1116.4154.163.50000110.4R696S694-R696 PolarHBondContact O-N 2.62Å
695P42.6Very low52Low105 Ų105145.7 Ų145.768%0.68270%0.697SS**  trans-72.7117.1-172.927-33.6000110.3E693 K697E693-P695 WeakPolarHBondContact O-CD 3.5Å; P695-K697 VanDerWaalsContact C-N 3.31Å; P695-K697 PolarHBondContact O-N 2.96Å
696R45.9Very low50.9Low243 Ų243148 Ų14892%0.91771%0.705SS**  trans-66.583.7179.2-75.3-175.9169.5-172-1.4111.4S694 H698S694-R696 PolarHBondContact O-N 2.62Å; R696-H698 PolarHBondContact O-N 2.99Å
697K43.6Very low49.5Very low190 Ų190152 Ų15283%0.82672%0.723SS**  trans-47113.8-179.3-72178.9178.7175.50111.4P695 R699P695-K697 VanDerWaalsContact C-N 3.31Å; P695-K697 PolarHBondContact O-N 2.96Å; K697-R699 PolarHBondContact O-N 2.74Å
698H43.6Very low48.3Very low164 Ų164155.6 Ų155.676%0.75972%0.723SS**  trans-7385.7-166.5-163.9-55.4000111.8R696R696-H698 PolarHBondContact O-N 2.99Å
699R40.1Very low47.9Very low211 Ų211156 Ų15680%0.79672%0.724SS**  trans-50.2142.8176.2-95.2-172.9171.7-171.9-0.8111.5K697 R701K697-R699 PolarHBondContact O-N 2.74Å; R699-R701 PolarHBondContact O-N 3.37Å
700S41.7Very low47.4Very low71 Ų71161.6 Ų161.650%0.49774%0.742SS.*  trans-63.3128.7-175.958.40000112V702 H703S700-V702 PolarHBondContact O-N 2.98Å; S700-H703 PolarHBondContact O-N 3.06Å; S700-H703 PolarHBondContact OG-ND1 3.43Å
701R57.7Low46.7Very low215 Ų215159.9 Ų159.981%0.81173%0.729SS**THydrogen-bonded Turntrans-55.8-15.1-173.3-83.1163.754.5119.5-8.9115.2R699 H703R699-R701 PolarHBondContact O-N 3.37Å; R701-H703 VanDerWaalsContact C-N 3.34Å; R701-H703 PolarHBondContact O-N 3.38Å
702V49.5Very low46.4Very low120 Ų120161.4 Ų161.473%0.72773%0.729SS**THydrogen-bonded Turntrans-65.2-32.5178.4-177.20000112.7S700S700-V702 PolarHBondContact O-N 2.98Å
703H54.8Low46.2Very low131 Ų131161.8 Ų161.861%0.60673%0.731SS**THydrogen-bonded Turntrans-83-21-174.7-7094.2000114.2S700 R701 R705 K706S700-H703 PolarHBondContact O-N 3.06Å; S700-H703 PolarHBondContact OG-ND1 3.43Å; R701-H703 VanDerWaalsContact C-N 3.34Å; R701-H703 PolarHBondContact O-N 3.38Å; H703-R705 VanDerWaalsContact C-N 3.33Å; H703-R705 PolarHBondContact O-N 3.41Å; H703-K706 PolarHBondContact O-N 3.12Å
704L43.8Very low45.9Very low103 Ų103164.5 Ų164.554%0.53973%0.734SS.*Hα-helixtrans-63.9-37-172.3-158.669.7000112.4K706 Q707L704-K706 PolarHBondContact O-N 3.08Å; L704-K706 VanDerWaalsContact O-N 3.09Å; L704-Q707 PolarHBondContact O-N 2.93Å; L704-Q707 VanDerWaalsContact O-N 3.16Å
705R47.4Very low45.8Very low224 Ų224164.7 Ų164.785%0.84574%0.735SS**Hα-helixtrans-65.8-13.2-176.1-147.9-179.9-153.2-129.94.6114.5H703H703-R705 VanDerWaalsContact C-N 3.33Å; H703-R705 PolarHBondContact O-N 3.41Å
706K51.1Low45.4Very low182 Ų182167 Ų16779%0.79174%0.742SS**Hα-helixtrans-102.8-13.7176.7-68-170.2177.2-1760114.2H703 L704H703-K706 PolarHBondContact O-N 3.12Å; L704-K706 PolarHBondContact O-N 3.08Å; L704-K706 VanDerWaalsContact O-N 3.09Å
707Q48.5Very low45.2Very low125 Ų125161.2 Ų161.258%0.58474%0.736SS**Hα-helixtrans-88.7-29.8179.2-164.4169.1-18.800112.5L704 Q709 R710L704-Q707 PolarHBondContact O-N 2.93Å; L704-Q707 VanDerWaalsContact O-N 3.16Å; Q707-Q709 PolarHBondContact O-N 2.88Å; Q707-Q709 VanDerWaalsContact O-N 3.16Å; Q707-R710 PolarHBondContact O-N 3.31Å
708W41.1Very low44.7Very low181 Ų181155.9 Ų155.969%0.68674%0.735SS**THydrogen-bonded Turntrans-64.1-15.1177.5-85.291.2000115.3R710W708-R710 VanDerWaalsContact C-N 3.35Å
709Q53.8Low44.2Very low164 Ų164154 Ų15477%0.76674%0.735SS**THydrogen-bonded Turntrans-918.8171.6-71.7-172.8-47.800113.7Q707Q707-Q709 PolarHBondContact O-N 2.88Å; Q707-Q709 VanDerWaalsContact O-N 3.16Å
710R47.8Very low44Very low226 Ų226153.1 Ų153.185%0.85373%0.731SS**SBendtrans-125.75178.2-72.5-66.4-169.2-120.78.6114.2Q707 W708Q707-R710 PolarHBondContact O-N 3.31Å; W708-R710 VanDerWaalsContact C-N 3.35Å
711H42Very low43.4Very low114 Ų114157.2 Ų157.253%0.52874%0.742SS.*  trans-137.692.1171.1174.161000109.3Q713H711-Q713 PolarHBondContact ND1-O 2.97Å
712K44.1Very low42.2Very low193 Ų193155.5 Ų155.584%0.83974%0.741SS**  trans-139.119.4177-113.8-71.5-177.1175.90112.2
713Q47.8Very low41.2Very low151 Ų151158.7 Ų158.771%0.70675%0.748SS**SBendtrans-138.4154.4171.6-71.1-179.9-32.100107.7H711H711-Q713 PolarHBondContact ND1-O 2.97Å
714W35.7Very low39.9Very low228 Ų228158.3 Ų158.386%0.86476%0.755SS**  trans69.379.9177.6-51.199.9000116.6
715S38.7Very low39.3Very low117 Ų117157.5 Ų157.582%0.81876%0.758SS**  trans-166.6104.1142.8-78.80000109.3
716D34.7Very low38.5Very low155 Ų155156 Ų15683%0.82976%0.758SS**  trans-146121.3167.7-168.724000108.7G718D716-G718 PolarHBondContact O-N 3.33Å
717P42.4Very low37.5Very low121 Ų121155.3 Ų155.379%0.78676%0.757SS**  trans-94.377.2-166.835.9-34.7000113.5
718G33.2Very low36.8Very low78 Ų78159.8 Ų159.880%0.80477%0.769SS**  trans-84.7111175.100000114.1D716D716-G718 PolarHBondContact O-N 3.33Å
719V32.6Very low36.3Very low124 Ų124158.8 Ų158.875%0.75277%0.772SS**  trans-92.6137.4172.6-179.10000110.4
720R34.6Very low35.3Very low192 Ų192162.9 Ų162.973%0.72578%0.78SS**  trans157.7110.2132.7-80.3-72.7168.1149.8-2.7112.8
721H31Very low34.6Very low157 Ų157158.2 Ų158.273%0.72778%0.777SS**  trans70.8111.4135.3-63.2-15.4000123.4
722F30.8Very low34.7Very low180 Ų180158.4 Ų158.479%0.78979%0.788SS**  trans52.2112.8139.2-56-64.2000121.5
723Q29.3Very low34.4Very low187 Ų187157.8 Ų157.887%0.87479%0.793SS**  -161.5155.898.3-104.2173.57.900114
724T28.1Very low33.8Very low122 Ų122162 Ų16275%0.74880%0.802SS**  trans-26.1154166.545.80000118.9
725S30Very low33.7Very low86 Ų86163 Ų16360%0.60181%0.806SS**  cis-178.3175.40.444.20000113
726F32.1Very low33.5Very low193 Ų193160.6 Ų160.685%0.84680%0.8SS**  trans79.175.3158.9-62.1-60.2000121.7
727E29.4Very low33.4Very low167 Ų167162.1 Ų162.178%0.7880%0.802SS**  -20.9122.2128.3171.3174-158.600117.8
728R33.7Very low33.1Very low220 Ų220161.2 Ų161.283%0.8380%0.798SS**  -171.7154.1109.3-126.2172.6-64179.61.5116.5
729H29.9Very low33.3Very low160 Ų160163.6 Ų163.674%0.74180%0.797SS**  trans-42.6153.4167.7-72.2-127.9000116.8
730R32.5Very low33.3Very low249 Ų249164.9 Ų164.994%0.9480%0.8SS**  -158.5159.4128.5-110.8172.3-166.7109.3-4.2113.9
731V34Very low33Very low129 Ų129166.5 Ų166.578%0.78281%0.807SS**  trans-101.5150.4178.7165.90000108.3
732P43.8Very low33.7Very low117 Ų117163.6 Ų163.676%0.7680%0.803SS**  trans-85.1155.8-157.333-37.2000115.5
733L37.2Very low34Very low181 Ų181162.4 Ų162.495%0.94880%0.803SS**  trans-129.1164.6165.3-72.9174.6000110.3
734R36Very low34.1Very low240 Ų240159.5 Ų159.591%0.90679%0.794SS**  trans-102.5147.3-166.8-89-175.4165121.9-5.5114
735R33.6Very low34.2Very low248 Ų248158.9 Ų158.994%0.93679%0.79SS**  trans51.8106141.9-175.6-168.3-75.9-164.5-4.3117.2
736G34.3Very low34.3Very low67 Ų67159.3 Ų159.369%0.69179%0.793SS**  trans160.4137.2156.800000115.1
737E32.9Very low34.3Very low186 Ų186159.9 Ų159.987%0.86979%0.791SS**  trans61.594.5140.1-70.9157.3-150.100121.6
738S35.9Very low34.6Very low103 Ų103159.6 Ų159.672%0.7279%0.789SS**  55.6106126.859.30000123.6
739V37.8Very low34.4Very low127 Ų127156 Ų15677%0.7779%0.785SS**  37.5128.5128.4-146.40000121.6
740N32.5Very low34.6Very low151 Ų151154.8 Ų154.881%0.80779%0.789SS**  trans125.3142.6146-66.6-64.4000116.5
741Y28.5Very low34.6Very low226 Ų226150.7 Ų150.789%0.88679%0.785SS**  trans-125.9174.3171.6-98.7-87.9000106.7
742P45.5Very low35.2Very low97 Ų97149.1 Ų149.163%0.6378%0.778SS**  cis-130.7169.3-7.934.2-16.1000114.8
743L36.2Very low34.7Very low154 Ų154153.8 Ų153.881%0.80678%0.78SS**  trans55.1155147.9-63.6166.1000118.8
744D32.1Very low34.5Very low127 Ų127152 Ų15268%0.67977%0.77SS**  cis-158.8171.327.6-146.6-7.1000115.4
745T31.1Very low34.6Very low109 Ų109146.9 Ų146.967%0.66977%0.765SS**  trans18.8136.3163.170.90000124.4
746S30.3Very low34.7Very low94 Ų94140.8 Ų140.866%0.65776%0.761SS**  124.8148.2114.688.80000119.3
747Y33Very low34.7Very low206 Ų206141.9 Ų141.981%0.80876%0.763SS**  trans26.7140.5158.8-56.5-67000121.4
748H36.7Very low35.6Very low160 Ų160138.7 Ų138.774%0.74176%0.758SS**  cis164.1168.5-11.3-124.4-112.4000105.2
749I29.5Very low35.5Very low146 Ų146141 Ų14175%0.74976%0.762SS**  trans85.1114.4158-67.6158.9000121.1
750T33.8Very low35.9Very low134 Ų134142.5 Ų142.582%0.82276%0.761SS**  trans48.3143150.261.10000126.3
751L31.8Very low36.3Very low163 Ų163143.3 Ų143.385%0.85376%0.76SS**  trans-66.2179.8165.5-48.4169.9000112.6
752P46Very low37Very low96 Ų96138.4 Ų138.462%0.62375%0.754SS**  cis-147.9-176.99.844.1-23.9000119.5
753R34Very low36.6Very low215 Ų215138.8 Ų138.881%0.81176%0.759SS**  trans84.3146.5140.6-94.9-179.5-173.2109.51.6122.8
754I32.7Very low36.7Very low142 Ų142139 Ų13973%0.72876%0.761SS**  trans69.3114.2159.2-61.3154.5000113.8
755V39.6Very low36.7Very low133 Ų133136.7 Ų136.781%0.80677%0.768SS**  cis73.891.548.8-174.60000113.8
756S35.4Very low36.8Very low121 Ų121138.1 Ų138.185%0.84678%0.776SS**  trans-150.1149.2152.9-82.30000110.5
757A33.8Very low36.7Very low90 Ų90136.2 Ų136.274%0.74477%0.772SS**  trans-129.2-155.415600000105.4
758P51Low36.5Very low118 Ų118131.9 Ų131.977%0.76677%0.771SS**  -108.4-178.3-55.938.9-26.9000111.2
759D33.5Very low36.2Very low151 Ų151130.5 Ų130.581%0.80777%0.774SS**  trans-163.2139.4152.5-101.9-5.8000104.2
760E46.2Very low37.5Very low160 Ų160129.1 Ų129.175%0.74878%0.775SS**  cis123.1126.121.7-90.7-141155.700108.6
761E41.3Very low37.2Very low168 Ų168129.9 Ų129.979%0.78577%0.774SS**  trans58.6161.1161.4-55.3-161.1147.200118.9
762T43.9Very low37.1Very low122 Ų122127.7 Ų127.775%0.74877%0.767SS**  cis-146.9174.6-6.3-4.60000106.7
763S37.8Very low37.1Very low106 Ų106128.6 Ų128.674%0.74177%0.773SS**  cis-157.6-176.34.5-155.70000110.2
764D36.8Very low36.7Very low157 Ų157127.4 Ų127.484%0.8477%0.774SS**  trans-73.3165.4176.5-61-81.4000115.7
765G33.1Very low36.6Very low80 Ų80126 Ų12683%0.82577%0.772SS**  trans-174.266.4177.500000115.9
766T31.8Very low36Very low139 Ų139128.2 Ų128.285%0.85377%0.773SS**  trans-89.5131.3-169.4-58.90000115.6
767G28.4Very low37.1Very low54 Ų54127.7 Ų127.756%0.55777%0.767SS**  102.9132.7128.300000121.6
768S29.9Very low36.7Very low115 Ų115129.9 Ų129.980%0.80477%0.771SS**  trans67.1156.914276.20000119.5
769T30.5Very low35.6Very low131 Ų131128.9 Ų128.980%0.80477%0.767SS**  cis-156.7167.1-22.914.50000107.7
770P57.4Low35.3Very low117 Ų117128 Ų12876%0.7677%0.768SS**  trans-91.2168.7-172.537.9-37000114.4
771D27.3Very low34.4Very low150 Ų150129 Ų12980%0.80277%0.772SS**  trans-156.8-178.2132.9-137.5-48.7000112.8
772T28.5Very low33.6Very low117 Ų117126.3 Ų126.372%0.71877%0.772SS**  trans-104.2-162-161.861.20000112
773P45.7Very low32.9Very low115 Ų115128.1 Ų128.175%0.74777%0.772SS**  cis-133.4-171.4-14.435.2-14.6000114.8
774K26.3Very low32.6Very low189 Ų189128.5 Ų128.582%0.82277%0.765SS**  142.3123.5121.3-165.4171-178.7177.90118.8
775V30.9Very low32.4Very low113 Ų113129.3 Ų129.369%0.68576%0.756SS**  trans67.5109.4149.4171.90000122.8
776E27Very low32.2Very low179 Ų179132.4 Ų132.484%0.83675%0.754SS**  52.4141.5118.4-141.7159.6-152.400124.4
777P58.6Low32.3Very low110 Ų110133.6 Ų133.671%0.71475%0.747SS**  trans-118170-17643.9-34.4000116.9
778T25.4Very low32.2Very low136 Ų136140.3 Ų140.383%0.83476%0.761SS**  trans-168.8141.5160.125.90000106.8
779S26.9Very low32.1Very low97 Ų97141.4 Ų141.468%0.67876%0.757SS**  cis103.5104.927.876.90000114.4
780T27.1Very low31.9Very low134 Ų134140.6 Ų140.682%0.82275%0.752SS**  trans-177.6142154.223.80000106.9
781E27.9Very low30.5Very low179 Ų179140.6 Ų140.684%0.83675%0.75SS**  cis88.5144.723.7-67.1-153.2149.300117.9
782S25.7Very low30.6Very low112 Ų112139 Ų13978%0.78375%0.746SS**  trans73162.4164.4770000119.2
783E27.4Very low30.6Very low161 Ų161139.7 Ų139.775%0.75275%0.745SS**  -170.8168-50.6-145.3-168151.200108.3
784L32.7Very low29.8Very low114 Ų114138.2 Ų138.260%0.59774%0.737SS**  trans69.1162.9155.1-111.759.4000116.7
785R31.4Very low30.1Very low174 Ų174137.7 Ų137.766%0.65774%0.738SS**  cis-156153.46.3-165.2165.6-121.21785.5111.4
786N29.8Very low30.2Very low144 Ų144138.7 Ų138.777%0.7774%0.735SS**  trans151.9106.9138.8-76.6-29.2000109.9
787K34.2Very low30.4Very low165 Ų165139.3 Ų139.372%0.71773%0.73SS**  87.4136.261.2-83.1-170.9171-1740114.4
788K25.4Very low29Very low195 Ų195140.5 Ų140.585%0.84874%0.735SS**  trans84.8135.5162.2-150.4176.5-178.2-171.70114.8
789L28.5Very low29.1Very low137 Ų137139.1 Ų139.172%0.71773%0.731SS**  cis-173.5131.2-12.4-179.678.8000112.3
790T26.5Very low29Very low114 Ų114139.7 Ų139.770%0.69974%0.735SS**  trans32.1141.1155.466.80000124.4
791V27.6Very low28.9Very low118 Ų118138.8 Ų138.872%0.71573%0.734SS**  159.9118.1115.7156.80000112.7
792T29.7Very low28.8Very low117 Ų117138.1 Ų138.172%0.71874%0.736SS**  trans40147.7148.768.90000122.2
793D28Very low29.8Very low131 Ų131138.5 Ų138.570%0.70174%0.735SS**  cis-163.9158.84.6-12739.2000114.6
794S29.5Very low30.3Very low83 Ų83136.4 Ų136.458%0.5874%0.736SS**  trans50127.9137.8-57.60000121.9
795E33Very low30Very low178 Ų178138.6 Ų138.683%0.83275%0.747SS**  68.8145.761.8-69.7-168.5164.200114.3
796E32.4Very low30Very low135 Ų135138.6 Ų138.663%0.63175%0.754SS**  cis-153.2-169.7-22-133.6-147166.200109.5
797R31.4Very low30.7Very low192 Ų192136.7 Ų136.773%0.72575%0.75SS**  trans-27.9148.9173.6-52.5165.5-155.2-1594.6118.3
798T28Very low30.3Very low135 Ų135134.8 Ų134.883%0.82876%0.757SS**  170154.7105-690000112.6
799S27.4Very low30.3Very low106 Ų106132.8 Ų132.874%0.74176%0.755SS**  trans-71.7147.3179.7-41.10000115
800S25.3Very low30.2Very low109 Ų109134.5 Ų134.576%0.76276%0.757SS**  154.9152.4125.555.90000116
801S25Very low30.4Very low116 Ų116135.9 Ų135.981%0.81176%0.756SS**  trans64.3151.2156.945.10000122.8
802L26.8Very low30.6Very low165 Ų165137.3 Ų137.386%0.86475%0.753SS**  trans-104.7-178.6168.5-58.9137.7000108.8
803P45Very low30.5Very low120 Ų120138.7 Ų138.778%0.77976%0.756SS**  cis-116.9-127.5-21.324.52000108.1
804P38.6Very low30.5Very low117 Ų117136 Ų13676%0.7676%0.759SS**  cis-136.7-134-14.644.7-23000115.2
805L27.2Very low30.4Very low159 Ų159135.8 Ų135.883%0.83277%0.769SS**  trans-93.9170.7-174.9-54.3153.4000111.3
806Q30.4Very low30.1Very low174 Ų174134.9 Ų134.981%0.81377%0.769SS**  cis-172.3-168.843.3-125.8-164.99.600108.3
807P44.1Very low30Very low104 Ų104133.7 Ų133.768%0.67577%0.771SS**  cis-134.8174.7-23.439.1-22.1000115.4
808S25.7Very low29.8Very low125 Ų125131.9 Ų131.987%0.87477%0.771SS**  trans-154160.8135.856.40000109.8
809L25.7Very low29.7Very low154 Ų154132.2 Ų132.281%0.80676%0.763SS**  trans-115139.9-159.4-82.9154.5000114.1
810F26.4Very low29.7Very low173 Ų173133.8 Ų133.876%0.75976%0.762SS**  -168.1163.1102.7-121.4-103.6000113.6
811E30.2Very low29.7Very low143 Ų143135 Ų13567%0.66876%0.76SS**  trans-23.1158.9170.4-75.5-168112.600120.9
812K31.7Very low29.8Very low148 Ų148134.6 Ų134.664%0.64375%0.753SS**  cis-178.3157.3-2.2157.4174173.4178.70112.5
813D28.7Very low29.8Very low146 Ų146134.7 Ų134.778%0.78175%0.749SS**  trans56.9147168.4-63-22.9000118.9
814G28.4Very low29Very low74 Ų74137.4 Ų137.476%0.76375%0.752SS**  cis166.8113-10.600000114.8
815G27.2Very low28.5Very low78 Ų78138.6 Ų138.680%0.80475%0.751SS**  trans75.5167.1171.300000116.2
816L27Very low28.6Very low159 Ų159133.6 Ų133.683%0.83273%0.73SS**  cis-158.7105.3-10-168.767.9000106.1
817V29Very low28.6Very low110 Ų110133.3 Ų133.367%0.66773%0.726SS**  83.5122.397.6129.90000115.2
818E27.5Very low27.9Very low155 Ų155136.7 Ų136.772%0.72473%0.733SS**  trans63.2166.9146.4-67.9-169.7135.300120.8
819Q26.8Very low27.9Very low142 Ų142137 Ų13766%0.66473%0.733SS**  cis-172.9168.9-32.7-177.7-178.99700106.9
820L27.1Very low28.1Very low138 Ų138133.4 Ų133.472%0.72373%0.733SS**  trans82.5139.2151.8-138.171000118.6
821D24.8Very low28Very low134 Ų134134 Ų13472%0.71774%0.738SS**  trans-61.7174.2-176-47.3-91.1000116.1
822T26.2Very low28.8Very low109 Ų109132.4 Ų132.467%0.66974%0.74SS**  130136.6129.8-50.70000114.9
823Q28.1Very low29.4Very low166 Ų166131.1 Ų131.178%0.77675%0.747SS**  trans56.9115.8166.6-76.2166.8-105.800117.4
824E27.1Very low29.2Very low178 Ų178132.8 Ų132.883%0.83275%0.75SS**  7098.865.6-67-146.2133.400115
825D28.2Very low30.1Very low142 Ų142134.4 Ų134.476%0.75975%0.747SS**  87.6149.7121.4-165.343000120.6
826S29.3Very low30.8Very low54 Ų54135.5 Ų135.538%0.37874%0.74SS.*  trans81.3102150.8-87.70000121
827K31.8Very low30.9Very low167 Ų167135 Ų13573%0.72674%0.738SS**  trans79.9155.8135.9-52.4169.1-17690.30115.4
828Q29.1Very low31.1Very low176 Ų176135.7 Ų135.782%0.82273%0.734SS**  cis-146.1161.47.9-147.3149-51.500114.2
829C24.9Very low31.3Very low131 Ų131137.5 Ų137.589%0.88573%0.734SS**  trans-44145.7178.1-173.10000117.3
830G29.5Very low31.4Very low78 Ų78136.2 Ų136.280%0.80474%0.741SS**  trans177.481.9168.700000116.8
831H26.1Very low31.9Very low185 Ų185135.1 Ų135.186%0.85674%0.742SS**  trans-112.3172.3163.5-100.8-71.9000108.9
832P46.2Very low32.3Very low111 Ų111134.7 Ų134.772%0.72175%0.746SS**  cis-121.6-155.8-7.337.1-15.5000110.1
833P43.6Very low32.4Very low121 Ų121138.1 Ų138.179%0.78676%0.755SS**  cis-137.3-179.73.643.3-23000119
834E26.1Very low32.9Very low181 Ų181135.2 Ų135.285%0.84675%0.75SS**  trans-61.2-178.7174.3-105.5-176.1132.100117.4
835P47.3Very low33.5Very low107 Ų107132.8 Ų132.870%0.69575%0.75SS**  cis-131.2-146.3-15.741.4-22000110.2
836P41.6Very low33.7Very low101 Ų101133.7 Ų133.766%0.65675%0.754SS**  cis-132.5-178.6-19.540.8-23.1000116.3
837D29.4Very low33.8Very low149 Ų149136.4 Ų136.480%0.79777%0.773SS**  trans89.2148.6139.3-86.7-44.2000125.9
838E32.3Very low34Very low124 Ų124134 Ų13458%0.57978%0.778SS**  trans68.8103.4161.9-59.7-126.2142.800123.7
839R31.2Very low34Very low194 Ų194128.8 Ų128.873%0.73277%0.771SS**  73102.6124.9-64.6179.5178.5143.14.5122.4
840S29.3Very low34.5Very low115 Ų115134.5 Ų134.580%0.80478%0.776SS**  83.5159.5121.9-61.10000119.6
841P37.6Very low35Very low114 Ų114132.9 Ų132.974%0.7476%0.759SS**  trans-113.9164.2-139.741.6-36.6000117.4
842P33.2Very low35.6Very low125 Ų125130.6 Ų130.681%0.81276%0.761SS**PPolyproline II helixtrans-86.7160.4168.235.3-34.3000114.1
843H28.6Very low35.3Very low182 Ų182133.6 Ų133.684%0.84377%0.765SS**PPolyproline II helixtrans-67.9154.5-179.3-97.6-111.7000115
844P39.2Very low35.5Very low105 Ų105133.5 Ų133.568%0.68276%0.763SS**PPolyproline II helixtrans-78.6136166.132.7-33.3000112
845P38.8Very low36.6Very low127 Ų127131.3 Ų131.383%0.82576%0.755SS**PPolyproline II helixtrans-83.7136.7170.232.3-32.4000111.9
846N31.8Very low37Very low160 Ų160130.3 Ų130.386%0.85675%0.747SS**PPolyproline II helixtrans-88.2127.3170-62.3-66.6000110.5
847S32.2Very low37.7Very low111 Ų111128.7 Ų128.778%0.77674%0.743SS**  trans-172.8130.5136.257.70000113.9
848S36.1Very low38.9Very low118 Ų118127.3 Ų127.383%0.82573%0.732SS**  trans-23131.616351.80000119
849G29.5Very low40.1Very low66 Ų66126 Ų12668%0.6873%0.728SS**  trans-156.376.2164.200000112.2G851G849-G851 PolarHBondContact O-N 3Å
850Y35Very low41.8Very low250 Ų250119.7 Ų119.798%0.9871%0.711SS**  trans-76.692.5-177.4-97.4-78.5000112.5
851G40Very low43.5Very low44 Ų44118.9 Ų118.945%0.45470%0.698SS.*  trans-118.8161.716000000110.9G849 Q853G849-G851 PolarHBondContact O-N 3Å; G851-Q853 PolarHBondContact O-N 3.12Å
852P39.3Very low45Very low137 Ų137119.6 Ų119.689%0.8969%0.689SS**  trans-7291177.130.3-33.8000110.2T854P852-T854 PolarHBondContact O-N 3.38Å
853Q39Very low46.7Very low174 Ų174118.4 Ų118.481%0.81368%0.675SS**  trans-64.5119.6176.6-70.6-179.1-9.600110.4G851G851-Q853 PolarHBondContact O-N 3.12Å
854T47.8Very low48.5Very low120 Ų120114 Ų11474%0.73666%0.662SS**  trans-61.1132.6159.846.90000108.8P852 T856P852-T854 PolarHBondContact O-N 3.38Å; T854-T856 PolarHBondContact O-N 2.73Å
855I48.7Very low49.6Very low134 Ų134112 Ų11269%0.68765%0.65SS**  trans-59.8114.3177.1-57.5171.3000108.1T860I855-T860 HydrophobicContact CG2-CG2 4.1Å
856T55.7Low51Low86 Ų86110.4 Ų110.453%0.52864%0.635SS.*  trans-77.6145.317649.60000110T854 E858 L859T854-T856 PolarHBondContact O-N 2.73Å; T856-E858 PolarHBondContact O-N 3.34Å; T856-L859 PolarHBondContact O-N 3.17Å
857A56.3Low52.9Low68 Ų68107.7 Ų107.756%0.56262%0.62SS**Hα-helixtrans-51.4-43.7-176.100000112.2L859 T860 D861A857-L859 PolarHBondContact O-N 2.82Å; A857-T860 WeakPolarHBondContact CA-OG1 3.23Å; A857-T860 CarbonylContact O-C 3.54Å; A857-T860 WeakPolarHBondContact O-CA 3.36Å; A857-T860 PolarHBondContact O-N 3.29Å; A857-T860 PolarHBondContact O-OG1 3.4Å; A857-D861 PolarHBondContact O-N 3.12Å; A857-D861 VanDerWaalsContact O-OD2 3.14Å
858E55.8Low54.8Low120 Ų120105.7 Ų105.756%0.56160%0.6SS**Hα-helixtrans-52-34.3176.5-67.2-173.7-145.900114.7T856 D861 K862T856-E858 PolarHBondContact O-N 3.34Å; E858-D861 PolarHBondContact O-N 3.4Å; E858-K862 VanDerWaalsContact O-CB 3.24Å; E858-K862 WeakPolarHBondContact O-CB 3.39Å; E858-K862 VanDerWaalsContact O-CD 3.25Å; E858-K862 WeakPolarHBondContact O-CD 3.42Å; E858-K862 WeakPolarHBondContact O-CG 3.4Å; E858-K862 PolarHBondContact O-N 2.94Å; E858-K862 IonicContact OE2-NZ 3.99Å; E858-K862 PolarHBondContact OE2-NZ 3.06Å
859L58Low56.3Low96 Ų96105.2 Ų105.250%0.50359%0.585SS.*Hα-helixtrans-79.6-32.5-177.1-162.9143.6000111.1T856 A857 L863T856-L859 PolarHBondContact O-N 3.17Å; A857-L859 PolarHBondContact O-N 2.82Å; L859-L863 HydrophobicContact CD2-CD1 3.92Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.19Å; L859-L863 VanDerWaalsContact O-N 3.09Å
860T66.6Low58.2Low62 Ų62111.9 Ų111.938%0.3859%0.59SS.*Hα-helixtrans-67.3-39.2164.925.80000112.2I855 A857 L863 T864I855-T860 HydrophobicContact CG2-CG2 4.1Å; A857-T860 WeakPolarHBondContact CA-OG1 3.23Å; A857-T860 CarbonylContact O-C 3.54Å; A857-T860 WeakPolarHBondContact O-CA 3.36Å; A857-T860 PolarHBondContact O-N 3.29Å; A857-T860 PolarHBondContact O-OG1 3.4Å; T860-L863 PolarHBondContact O-N 3.21Å; T860-T864 WeakPolarHBondContact O-CB 3.34Å; T860-T864 PolarHBondContact O-N 3.4Å; T860-T864 PolarHBondContact O-OG1 3.33Å
861D63.8Low59.7Low98 Ų98106 Ų10652%0.52457%0.574SS.*Hα-helixtrans-67.3-43.6179.3-59-30.2000110.9A857 E858 L863 T864 S865A857-D861 PolarHBondContact O-N 3.12Å; A857-D861 VanDerWaalsContact O-OD2 3.14Å; E858-D861 PolarHBondContact O-N 3.4Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-L863 PolarHBondContact O-N 2.69Å; D861-T864 PolarHBondContact O-N 3.03Å; D861-S865 PolarHBondContact O-N 3.29Å; D861-S865 PolarHBondContact O-OG 3.46Å
862K70.3Confident60.8Low128 Ų128109.5 Ų109.556%0.55758%0.575SS**Hα-helixtrans-65.5-31.1174.6-72.1160.9-174.11640112.9E858 S865 N866E858-K862 VanDerWaalsContact O-CB 3.24Å; E858-K862 WeakPolarHBondContact O-CB 3.39Å; E858-K862 VanDerWaalsContact O-CD 3.25Å; E858-K862 WeakPolarHBondContact O-CD 3.42Å; E858-K862 WeakPolarHBondContact O-CG 3.4Å; E858-K862 PolarHBondContact O-N 2.94Å; E858-K862 IonicContact OE2-NZ 3.99Å; E858-K862 PolarHBondContact OE2-NZ 3.06Å; K862-S865 PolarHBondContact O-OG 3.46Å; K862-N866 WeakPolarHBondContact O-CB 3.16Å; K862-N866 PolarHBondContact O-N 3.48Å
863L67.9Low61.6Low100 Ų100104.8 Ų104.852%0.52455%0.547SS..Hα-helixtrans-73.1-39.4170.2-79169.6000111.9L859 T860 D861 L867L859-L863 HydrophobicContact CD2-CD1 3.92Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.19Å; L859-L863 VanDerWaalsContact O-N 3.09Å; T860-L863 PolarHBondContact O-N 3.21Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-L863 PolarHBondContact O-N 2.69Å; L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.28Å; L863-L867 WeakPolarHBondContact O-CG 3.46Å; L863-L867 PolarHBondContact O-N 2.99Å
864T66.2Low62Low90 Ų9099.2 Ų99.255%0.55253%0.531SS*.Hα-helixtrans-68.2-45.4-178.9-54.90000110.9T860 D861 L867 D868T860-T864 WeakPolarHBondContact O-CB 3.34Å; T860-T864 PolarHBondContact O-N 3.4Å; T860-T864 PolarHBondContact O-OG1 3.33Å; D861-T864 PolarHBondContact O-N 3.03Å; T864-L867 PolarHBondContact O-N 3.39Å; T864-D868 WeakPolarHBondContact O-CB 3.4Å; T864-D868 PolarHBondContact O-N 3.1Å
865S62.8Low62Low64 Ų6499.3 Ų99.345%0.44853%0.526SS..Hα-helixtrans-64.1-41.217663.30000112.4D861 K862 L867 D868 E869D861-S865 PolarHBondContact O-N 3.29Å; D861-S865 PolarHBondContact O-OG 3.46Å; K862-S865 PolarHBondContact O-OG 3.46Å; S865-L867 VanDerWaalsContact C-N 3.32Å; S865-L867 PolarHBondContact O-N 3.47Å; S865-D868 PolarHBondContact O-N 2.95Å; S865-E869 WeakPolarHBondContact O-CG 3.3Å; S865-E869 PolarHBondContact O-N 3.08Å
866N68.9Low62.3Low92 Ų9299 Ų9949%0.49252%0.517SS..Hα-helixtrans-71.3-26.7179.2-158.6-110.8000113K862 R870K862-N866 WeakPolarHBondContact O-CB 3.16Å; K862-N866 PolarHBondContact O-N 3.48Å; N866-R870 WeakPolarHBondContact O-CB 3.25Å; N866-R870 PolarHBondContact O-N 2.84Å
867L70.4Confident62Low104 Ų104103.9 Ų103.955%0.54553%0.525SS..Hα-helixtrans-72.9-43.1168-73.7170.2000111.8L863 T864 S865 R870 L871L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.28Å; L863-L867 WeakPolarHBondContact O-CG 3.46Å; L863-L867 PolarHBondContact O-N 2.99Å; T864-L867 PolarHBondContact O-N 3.39Å; S865-L867 VanDerWaalsContact C-N 3.32Å; S865-L867 PolarHBondContact O-N 3.47Å; L867-R870 PolarHBondContact O-N 2.78Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.23Å; L867-L871 PolarHBondContact O-N 3.27Å
868D72.3Confident61.4Low69 Ų69106.2 Ų106.237%0.36953%0.533SS..Hα-helixtrans-63.3-46.3178.9-170.382.3000112.1T864 S865 R870 L871 Y872 R876T864-D868 WeakPolarHBondContact O-CB 3.4Å; T864-D868 PolarHBondContact O-N 3.1Å; S865-D868 PolarHBondContact O-N 2.95Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 3.04Å; D868-L871 PolarHBondContact O-N 3.42Å; D868-Y872 WeakPolarHBondContact O-CB 3.34Å; D868-Y872 WeakPolarHBondContact O-CD2 3.46Å; D868-Y872 PolarHBondContact O-N 2.91Å; D868-Y872 WeakPolarHBondContact OD1-CD2 3.3Å; D868-Y872 WeakPolarHBondContact OD1-CE2 3.38Å; D868-R876 IonicContact OD2-NH2 2.78Å; D868-R876 PolarHBondContact OD2-NH2 2.83Å
869E67.5Low60.9Low107 Ų107108.9 Ų108.950%0.554%0.542SS..Hα-helixtrans-56.9-46.9171.4-74.1-170.5132.600111.2S865 L871 A873S865-E869 WeakPolarHBondContact O-CG 3.3Å; S865-E869 PolarHBondContact O-N 3.08Å; E869-L871 VanDerWaalsContact C-N 3.33Å; E869-L871 PolarHBondContact O-N 3.12Å; E869-A873 WeakPolarHBondContact O-CA 3.46Å; E869-A873 WeakPolarHBondContact O-CB 3.37Å; E869-A873 PolarHBondContact O-N 3.16Å
870R70.9Confident60.2Low207 Ų207110.8 Ų110.878%0.78155%0.553SS**Hα-helixtrans-70.6-27.4-175-165.8170.6-170.5162.72.9113.6N866 L867 D868N866-R870 WeakPolarHBondContact O-CB 3.25Å; N866-R870 PolarHBondContact O-N 2.84Å; L867-R870 PolarHBondContact O-N 2.78Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 3.04Å
871L65.8Low58.7Low125 Ų125111.5 Ų111.565%0.65457%0.565SS**Hα-helixtrans-85.7-44.1175.7-68.7169.7000112L867 D868 E869L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.23Å; L867-L871 PolarHBondContact O-N 3.27Å; D868-L871 PolarHBondContact O-N 3.42Å; E869-L871 VanDerWaalsContact C-N 3.33Å; E869-L871 PolarHBondContact O-N 3.12Å
872Y63.9Low57.5Low119 Ų119112.9 Ų112.947%0.46758%0.579SS.*Hα-helixtrans-98.8-13.3-171.5-65.1-76.6000115.3D868 A874 L875 R876D868-Y872 WeakPolarHBondContact O-CB 3.34Å; D868-Y872 WeakPolarHBondContact O-CD2 3.46Å; D868-Y872 PolarHBondContact O-N 2.91Å; D868-Y872 WeakPolarHBondContact OD1-CD2 3.3Å; D868-Y872 WeakPolarHBondContact OD1-CE2 3.38Å; Y872-A874 PolarHBondContact O-N 3.3Å; Y872-L875 HydrophobicContact CD1-CD2 4.31Å; Y872-L875 WeakPolarHBondContact O-CB 3.43Å; Y872-L875 PolarHBondContact O-N 3.28Å; Y872-R876 WeakPolarHBondContact O-CG 3.37Å; Y872-R876 PolarHBondContact O-N 2.87Å
873A56.2Low55.9Low37 Ų37112.8 Ų112.831%0.30659%0.59SS.*Hα-helixtrans-65.6-17.7175.100000113.7E869 R877E869-A873 WeakPolarHBondContact O-CA 3.46Å; E869-A873 WeakPolarHBondContact O-CB 3.37Å; E869-A873 PolarHBondContact O-N 3.16Å; A873-R877 PolarHBondContact O-N 3.45Å; A873-R877 PolarHBondContact O-NE 3.25Å; A873-R877 VanDerWaalsContact O-NE 3.14Å
874A46.9Very low54.3Low57 Ų57117 Ų11747%0.47161%0.607SS.*Hα-helixtrans-70.9-41167.600000111.7Y872Y872-A874 PolarHBondContact O-N 3.3Å
875L47.9Very low52.6Low122 Ų122117.9 Ų117.964%0.63962%0.615SS**Hα-helixtrans-76.3-28.6-178.5-146.177.9000113Y872 T878Y872-L875 HydrophobicContact CD1-CD2 4.31Å; Y872-L875 WeakPolarHBondContact O-CB 3.43Å; Y872-L875 PolarHBondContact O-N 3.28Å; L875-T878 PolarHBondContact O-OG1 2.95Å
876R55.4Low51.1Low129 Ų129121.5 Ų121.549%0.48763%0.634SS.*Hα-helixtrans-70.1-42.5173.5-63.2175.9-153.2178.68.1111.2D868 Y872 T878 K879D868-R876 IonicContact OD2-NH2 2.78Å; D868-R876 PolarHBondContact OD2-NH2 2.83Å; Y872-R876 WeakPolarHBondContact O-CG 3.37Å; Y872-R876 PolarHBondContact O-N 2.87Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.11Å; R876-K879 WeakPolarHBondContact O-CB 3.48Å; R876-K879 PolarHBondContact O-N 3.22Å
877R47.5Very low49.3Very low188 Ų188122.9 Ų122.971%0.70965%0.646SS**THydrogen-bonded Turntrans-64.4-14.2-179.5-87.8-176.7-70.9120.1-4.6115.6A873A873-R877 PolarHBondContact O-N 3.45Å; A873-R877 PolarHBondContact O-NE 3.25Å; A873-R877 VanDerWaalsContact O-NE 3.14Å
878T45.3Very low47.4Very low117 Ų117124.6 Ų124.672%0.71866%0.661SS**THydrogen-bonded Turntrans-88.21.3173.145.10000114L875 R876L875-T878 PolarHBondContact O-OG1 2.95Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.11Å
879K44.2Very low45.6Very low176 Ų176127.2 Ų127.277%0.76568%0.679SS**THydrogen-bonded Turntrans-100.3-27.7-179.2-165.9172.4179.9-179.20114.1R876 A881R876-K879 WeakPolarHBondContact O-CB 3.48Å; R876-K879 PolarHBondContact O-N 3.22Å; K879-A881 PolarHBondContact O-N 3.42Å
880D42.7Very low43.7Very low136 Ų136126.9 Ų126.973%0.72770%0.695SS**  trans-105.748.8-168.8-54.4-37.9000112.5
881A36.3Very low41.8Very low77 Ų77121.7 Ų121.764%0.63670%0.697SS**  trans-108.1120.1171.900000109.7K879K879-A881 PolarHBondContact O-N 3.42Å
882P37.8Very low40.3Very low126 Ų126125.3 Ų125.382%0.81871%0.709SS**  trans-74.8135.1-175.429.3-34.2000112.2E884P882-E884 PolarHBondContact O-N 2.73Å
883T37.9Very low38.8Very low127 Ų127124.5 Ų124.578%0.77973%0.728SS**  trans-79.3106.5178.5-43.30000111.3
884E32.8Very low37.6Very low189 Ų189128.5 Ų128.588%0.88375%0.753SS**  trans-83.8120.9162.5-76.4-164.513400110.5P882P882-E884 PolarHBondContact O-N 2.73Å
885C31.6Very low38Very low107 Ų107130.9 Ų130.972%0.72376%0.764SS**  trans-86.1127.3177.9-64.80000111.1
886V30.6Very low37.2Very low141 Ų141132.1 Ų132.186%0.85577%0.771SS**  trans-118.9111.7159179.80000108.5
887T31.9Very low36.3Very low121 Ų121134 Ų13474%0.74279%0.785SS**  trans-90.8132.2-179.350.60000111.7
888V30.4Very low35.3Very low140 Ų140130 Ų13085%0.84879%0.786SS**  trans-128.4142.7156.3-176.70000107.6
889T33.3Very low35.4Very low123 Ų123129.6 Ų129.676%0.75579%0.785SS**  trans-122.5171.9-162.748.50000113
890A29.3Very low35.1Very low100 Ų100131.8 Ų131.883%0.82681%0.813SS**  trans76143.2170.800000116.4
891A29.5Very low34.8Very low99 Ų99131.6 Ų131.682%0.81882%0.818SS**  cis-155.1168.8-10.400000111.3
892H35.6Very low34.7Very low200 Ų200134.5 Ų134.593%0.92683%0.827SS**  trans-80.2138.8171.1-68.5-89.4000112.2
893A31.7Very low34.5Very low103 Ų103134.9 Ų134.985%0.85183%0.828SS**  trans-147.7154.5154.300000109
894S30.4Very low34.3Very low120 Ų120135.4 Ų135.484%0.83983%0.831SS**  trans-99.2176.3-179.8-125.50000111
895P56.7Low34.4Very low107 Ų107132.1 Ų132.170%0.69583%0.827SS**  trans-80.1160.9-161.434.7-37.8000113.5
896D31.2Very low34.6Very low148 Ų148133.7 Ų133.779%0.79183%0.834SS**  trans-159.1147.5139-104.4-28.9000113.9
897H34.7Very low34.9Very low168 Ų168133.2 Ų133.278%0.77883%0.833SS**  trans-5122.7167.9-68.2-78.1000124
898S27.9Very low35.1Very low106 Ų106134.2 Ų134.274%0.74184%0.84SS**  75.8176.4115.4-137.20000119
899P46.5Very low35.5Very low107 Ų107133.7 Ų133.770%0.69584%0.839SS**  -133.1166.5-83.141.9-27.6000115.5
900V38.9Very low35.7Very low223 Ų223134.6 Ų134.6100%1.35285%0.847SS**  trans-1450135.8-179.60000107.6

Retrieved 900 of 900 residues in 695.3 ms (Link to these results)