A0A087YHR6_POEFO Loading...

ATM interactor

AlphaFold DB , UniProt , Accession A0A087YHR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 798 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
1M41.8Very low30.2Very low234 Ų234156.2 Ų156.2100%1.15385%0.85SS**  0140.80-71.8-57.9-17500108.1
2P41Very low30Very low109 Ų109149.6 Ų149.671%0.70885%0.845SS**  cis-115172.210.140.8-31.3000115.2
3L28.2Very low29.7Very low153 Ų153147.8 Ų147.880%0.80185%0.849SS**  trans47.1113.8146.7-66.8162.7000121
4F26.5Very low29.5Very low212 Ų212149 Ų14993%0.9385%0.846SS**  trans-93.2143.1157.4-99.9-96.3000110.8
5I31.4Very low29.6Very low137 Ų137155.5 Ų155.570%0.70385%0.851SS**  trans-138.1142.7167.5-68.9-176.4000109.6
6Q28.7Very low29.5Very low169 Ų169154.4 Ų154.479%0.7984%0.844SS**  trans64.7119.1168.1-79.5172.2-81.800121.2
7C28.9Very low29.4Very low112 Ų112157.6 Ų157.676%0.75784%0.841SS**  38.1120.7123.7-54.50000120.5
8S26.6Very low29.3Very low125 Ų125157.1 Ų157.187%0.87484%0.835SS**  trans-153.6156.8139.1-86.90000112
9C27Very low29.3Very low125 Ų125156 Ų15685%0.84583%0.829SS**  trans-62.3159.7-176.4-52.40000113.4
10W26.8Very low29.2Very low266 Ų266154.6 Ų154.6100%1.00883%0.831SS**  trans-115.4125.7159-116.336.9000110.3
11G25.7Very low29.3Very low76 Ų76155 Ų15578%0.78483%0.827SS**  trans-150.3149.4175.200000109.6
12G27.4Very low28.7Very low77 Ų77152.5 Ų152.579%0.79481%0.813SS**  trans87.7149-169.500000112.5
13S25.7Very low28.2Very low127 Ų127157.3 Ų157.389%0.88882%0.817SS**  cis-142.2162.719.3-167.50000113.4
14M27.6Very low28.2Very low164 Ų164158 Ų15881%0.80882%0.821SS**  trans-68.9159.4179.4-65.2176166.700113.4
15R31.3Very low28.4Very low247 Ų247155.4 Ų155.493%0.93281%0.814SS**  trans-152.2132.9141.5-127.8169.9-70.6-1611.9111.6
16N27.6Very low28.3Very low137 Ų137153.8 Ų153.873%0.73382%0.821SS**  trans-75.4146.5-177-59.8-25.9000111.9
17R27.8Very low28.3Very low210 Ų210151.8 Ų151.879%0.79282%0.82SS**  -178.4134109.7-102.9177.4165.9-162.5-4.5115.9
18M27.2Very low28.4Very low147 Ų147152.5 Ų152.572%0.72483%0.826SS**  trans76.6125.4137.7-72.2158.2167.600120.9
19D29.3Very low28.6Very low137 Ų137150.7 Ų150.773%0.73382%0.819SS**  trans-54.6153.2167.7-63.1-115.6000114.7
20C28.1Very low28.9Very low127 Ų127151.3 Ų151.386%0.85882%0.819SS**  trans-138.193148.3-141.60000109.3
21Q29.8Very low29.2Very low163 Ų163143.7 Ų143.776%0.76281%0.813SS**  trans-69.2135172.3-63178.45.500109.5
22H29.2Very low29.6Very low183 Ų183150.3 Ų150.385%0.84782%0.82SS**  trans-124.9126164.9-117.7-93.9000111.3
23R31.1Very low29.8Very low209 Ų209151 Ų15179%0.78982%0.818SS**  trans-79.4142.4-175.7-75.2172.3161.8170.5-7.9111.4
24N28.8Very low30Very low167 Ų167150.8 Ų150.889%0.89382%0.817SS**  trans-65.4135.8152.7-73.7-36.7000109.4
25M29.9Very low30.1Very low159 Ų159147.2 Ų147.278%0.78381%0.808SS**  trans-134116.8162.4-86.6-171.2158.900109.3
26A29Very low30.2Very low103 Ų103145.4 Ų145.485%0.85180%0.801SS**  trans-83.7139.2164.500000109.1
27V30.3Very low30.5Very low126 Ų126146.8 Ų146.876%0.76480%0.803SS**  trans-129.9108.4174.9179.60000109.1
28S29.7Very low30.6Very low127 Ų127143.9 Ų143.989%0.88880%0.803SS**  trans-94.4120.7167.5-63.70000109
29A32.2Very low30.9Very low88 Ų88141.8 Ų141.873%0.72780%0.803SS**  trans-129.597179.800000111.4
30T32.7Very low31.1Very low137 Ų137142.2 Ų142.284%0.8481%0.811SS**  trans-18.1127.7165.552.70000117.3
31A32.1Very low31.5Very low107 Ų107141.1 Ų141.188%0.88481%0.811SS**  trans-66.8150.4163.400000111.9
32K34.4Very low31.6Very low215 Ų215136.7 Ų136.794%0.93581%0.808SS**  trans-142.1135.4169.3-149.2168.7-172.1174.40109.5
33A31.8Very low32.3Very low90 Ų90132.2 Ų132.274%0.74481%0.812SS**  trans-101.6178.7-163.900000114
34S30.8Very low32.6Very low123 Ų123128.7 Ų128.786%0.8681%0.814SS**  trans96.2139.5178.7-45.40000114
35S28.2Very low33.1Very low89 Ų89130.2 Ų130.262%0.62281%0.812SS**  cis-166.8142.7-2.21300000113.3
36R33.8Very low33Very low210 Ų210128.6 Ų128.679%0.79282%0.815SS**  trans71.6123.4149.9-71.5175.2-179.5-175.10.2121.8
37H33.9Very low33.1Very low166 Ų166129 Ų12977%0.76981%0.81SS**  trans54.3149.9139-48.8-56000120
38N30.4Very low33.1Very low148 Ų148132 Ų13279%0.79182%0.816SS**  cis-147.2172.516.2-147.88.5000113.3
39S33.3Very low33.3Very low103 Ų103133.9 Ų133.972%0.7281%0.811SS**  trans-68.5154.1-175-450000115.8
40T33.4Very low33.7Very low147 Ų147134.9 Ų134.990%0.90281%0.81SS**  -171158.4125.5-74.70000110.2
41A36Very low34Very low104 Ų104134 Ų13486%0.8680%0.804SS**  trans-72.2154.5-169.800000115.7
42G31.9Very low34.5Very low69 Ų69134.5 Ų134.571%0.71180%0.798SS**  trans-176.695.4170.400000111.3V44G42-V44 PolarHBondContact O-N 3.43Å
43G44.6Very low35Very low90 Ų90130.4 Ų130.493%0.92878%0.783SS**  trans-79.3114.8-17800000112.3
44V36.9Very low35.5Very low135 Ų135131.5 Ų131.582%0.81878%0.784SS**  trans-123.3128.9173.4-178.70000108.9G42 C46G42-V44 PolarHBondContact O-N 3.43Å; V44-C46 PolarHBondContact O-N 3.21Å; V44-C46 VanDerWaalsContact O-N 3.15Å
45K39.7Very low37.4Very low198 Ų198132.3 Ų132.386%0.86177%0.768SS**  trans-64.6112.2167.5-82.2-176.9172.6-178.80108.4C47K45-C47 PolarHBondContact O-N 3.34Å
46C27.7Very low39.7Very low125 Ų125131.7 Ų131.785%0.84576%0.755SS**  trans-70.8117.6161.6-160.40000107.6V44V44-C46 PolarHBondContact O-N 3.21Å; V44-C46 VanDerWaalsContact O-N 3.15Å
47C31.9Very low41.8Very low112 Ų112126.3 Ų126.376%0.75774%0.741SS**  trans-70.3133.3164.9-67.50000107.9K45 E49K45-C47 PolarHBondContact O-N 3.34Å; C47-E49 PolarHBondContact O-N 3.35Å
48E30.6Very low44.1Very low190 Ų190120.6 Ų120.689%0.88872%0.716SS**  trans-67.2108.8171.1-69-161.8129.900109.6P50E48-P50 WeakPolarHBondContact O-CD 3.46Å
49E33.5Very low46.5Very low166 Ų166118.2 Ų118.278%0.77670%0.698SS**  trans-58.5118.2162.9-101.2-77.498.100108.7C47 V51C47-E49 PolarHBondContact O-N 3.35Å; E49-V51 PolarHBondContact O-N 3.36Å
50P39.4Very low48.8Very low109 Ų109113.4 Ų113.471%0.70867%0.665SS**  trans-72.597.2-179.329.1-33.1000109.6E48E48-P50 WeakPolarHBondContact O-CD 3.46Å
51V39Very low51.1Low119 Ų119109.8 Ų109.872%0.72164%0.642SS**  trans-32.2123.2179.3178.40000111.6E49 Q53E49-V51 PolarHBondContact O-N 3.36Å; V51-Q53 PolarHBondContact O-N 3.05Å
52P43.2Very low52.9Low117 Ų117108.6 Ų108.676%0.7662%0.62SS**  trans-58.8110.1-173.422.3-33.4000110.3C54P52-C54 PolarHBondContact O-N 3.22Å
53Q46Very low55Low129 Ų129111.5 Ų111.560%0.60362%0.618SS**  trans-62.1112.6-179-67174.5-10.500108.8V51 R55V51-Q53 PolarHBondContact O-N 3.05Å; Q53-R55 PolarHBondContact O-N 3.07Å
54C42.3Very low56.6Low113 Ų113111.7 Ų111.776%0.76460%0.595SS**  trans-65.898.5177.6-164.70000109.2P52 E56P52-C54 PolarHBondContact O-N 3.22Å; C54-E56 PolarHBondContact O-N 3.01Å
55R68.8Low58.4Low140 Ų140105.3 Ų105.353%0.52856%0.556SS.*  trans-84.6108.7-179.6-75.8167.8176.1-174.22.9108.6Q53 I57 Q117 L119Q53-R55 PolarHBondContact O-N 3.07Å; R55-I57 PolarHBondContact O-N 3.27Å; R55-Q117 HydrophobicContact CG-CB 4.49Å; R55-L119 HydrophobicContact CB-CD1 4.03Å; R55-L119 HydrophobicContact CG-CD1 4.29Å
56E77.6Confident59.8Low76 Ų7699.2 Ų99.236%0.35554%0.536SS..  trans-74.5103.7-178.7-171.7-170.6150.400109.4C54 I58 S116 K118 L119C54-E56 PolarHBondContact O-N 3.01Å; E56-I58 HydrophobicContact CG-CG1 4.17Å; E56-I58 PolarHBondContact O-N 3.25Å; E56-S116 PolarHBondContact OE2-OG 3.49Å; E56-K118 HydrophobicContact CB-CG 4.36Å; E56-K118 WeakPolarHBondContact O-CA 3.33Å; E56-K118 IonicContact OE1-NZ 2.66Å; E56-K118 PolarHBondContact OE1-NZ 3.19Å; E56-K118 IonicContact OE2-NZ 2.73Å; E56-K118 PolarHBondContact OE2-NZ 3.24Å; E56-L119 PolarHBondContact O-N 3.49Å
57I78.6Confident62.1Low97 Ų9799.3 Ų99.350%0.49752%0.522SS..EExtended strand (participates in β ladder)trans-82.5108.4176.7-58.7179.9000109R55 L119 C121R55-I57 PolarHBondContact O-N 3.27Å; I57-L119 CarbonylContact C-O 3.59Å; I57-L119 WeakPolarHBondContact CA-O 3.24Å; I57-L119 HydrophobicContact CG1-CB 4.42Å; I57-C121 VanDerWaalsContact CG2-SG 3.56Å
58I80.8Confident63.4Low46 Ų46102.1 Ų102.124%0.23652%0.524CS..EExtended strand (participates in β ladder)trans-96.1123.5176.5-56.1-177.4000108.4E56 P60 K118 L119 Y120 C121E56-I58 HydrophobicContact CG-CG1 4.17Å; E56-I58 PolarHBondContact O-N 3.25Å; I58-P60 WeakPolarHBondContact O-CD 3.25Å; I58-K118 HydrophobicContact CD1-CB 3.94Å; I58-K118 HydrophobicContact CD1-CD 3.74Å; I58-K118 HydrophobicContact CD1-CG 3.83Å; I58-L119 PolarHBondContact N-O 3.12Å; I58-Y120 HydrophobicContact CB-CD1 4.06Å; I58-Y120 HydrophobicContact CB-CE1 4.19Å; I58-Y120 HydrophobicContact CD1-CE1 4Å; I58-Y120 HydrophobicContact CG2-CD1 4.2Å; I58-Y120 HydrophobicContact CG2-CE1 4.23Å; I58-Y120 WeakPolarHBondContact O-CA 3.45Å; I58-C121 PolarHBondContact O-N 3.48Å
59K80.6Confident64.8Low98 Ų9897.7 Ų97.743%0.42651%0.51SS..  trans-9290.1161.3-78.4-170.4171.3-171.50108.1C121 E125K59-C121 HydrophobicContact CG-CB 4.18Å; K59-E125 IonicContact NZ-OE1 2.62Å; K59-E125 PolarHBondContact NZ-OE1 3Å; K59-E125 IonicContact NZ-OE2 3.44Å; K59-E125 PolarHBondContact NZ-OE2 3.13Å
60P81.8Confident66Low2 Ų298.8 Ų98.81%0.01351%0.507CS..  trans-61.5139.6175.127.2-35.7000110.2I58 L65 Y120 C121 P123 F138 V141I58-P60 WeakPolarHBondContact O-CD 3.25Å; P60-L65 HydrophobicContact CB-CD2 4.09Å; P60-L65 HydrophobicContact CB-CG 4.33Å; P60-L65 HydrophobicContact CG-CD1 4.31Å; P60-L65 HydrophobicContact CG-CD2 3.94Å; P60-L65 HydrophobicContact CG-CG 4.32Å; P60-Y120 HydrophobicContact CG-CD1 4.36Å; P60-C121 WeakPolarHBondContact CD-O 3Å; P60-P123 WeakPolarHBondContact O-CB 3.49Å; P60-P123 WeakPolarHBondContact O-CG 3.46Å; P60-F138 HydrophobicContact CB-CD2 4.06Å; P60-F138 HydrophobicContact CB-CE2 3.68Å; P60-F138 HydrophobicContact CG-CD2 4.36Å; P60-F138 HydrophobicContact CG-CE2 4.33Å; P60-V141 HydrophobicContact CG-CG1 3.96Å
61T82.4Confident67Low71 Ų7198.1 Ų98.144%0.43650%0.501SS..  trans-67154.7-177.8630000111.7I63 E64 L65T61-I63 PolarHBondContact O-N 3.2Å; T61-E64 WeakPolarHBondContact CB-OE2 3.33Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.29Å; T61-E64 PolarHBondContact N-OE2 3.08Å; T61-E64 PolarHBondContact O-N 3.22Å; T61-E64 VanDerWaalsContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CG 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.03Å; T61-E64 PolarHBondContact OG1-OE2 3.39Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 2.92Å; T61-L65 VanDerWaalsContact O-N 3.13Å
62I74.4Confident68.4Low78 Ų7897.8 Ų97.840%0.450%0.495SS..Hα-helixtrans-52-39.7171.7-72.3175.1000110.8L65 T66 P123 Y145I62-L65 PolarHBondContact O-N 3.04Å; I62-T66 HydrophobicContact CG2-CG2 4.08Å; I62-T66 WeakPolarHBondContact O-CG2 3.37Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.21Å; I62-P123 HydrophobicContact CG1-CB 4.48Å; I62-P123 HydrophobicContact CG1-CG 3.95Å; I62-Y145 HydrophobicContact CG1-CE2 4.01Å; I62-Y145 WeakPolarHBondContact CG2-OH 2.97Å
63I75.1Confident70.2Confident130 Ų13094.4 Ų94.467%0.66747%0.47SS*.Hα-helixtrans-63.4-43179.7-59.6174.1000111.3T61 L65 T66 K67T61-I63 PolarHBondContact O-N 3.2Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.1Å; I63-T66 PolarHBondContact O-N 2.77Å; I63-T66 PolarHBondContact O-OG1 3.5Å; I63-K67 WeakPolarHBondContact O-CA 3.47Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 PolarHBondContact O-N 3.3Å
64E79.4Confident72Confident95 Ų9593.1 Ų93.144%0.44447%0.467SS..Hα-helixtrans-66.5-34.4176.5-70.2161.7118.900112.5T61 F138T61-E64 WeakPolarHBondContact CB-OE2 3.33Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.29Å; T61-E64 PolarHBondContact N-OE2 3.08Å; T61-E64 PolarHBondContact O-N 3.22Å; T61-E64 VanDerWaalsContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CG 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.03Å; T61-E64 PolarHBondContact OG1-OE2 3.39Å; E64-F138 HydrophobicContact CB-CE2 4.32Å; E64-F138 HydrophobicContact CB-CZ 4.22Å
65L74.6Confident74Confident0 Ų088.2 Ų88.20%043%0.434CS..Hα-helixtrans-75.5-37.5177.6-60.2-179.9000112.4P60 T61 I62 I63 P123 F138 V141 K142 Y145P60-L65 HydrophobicContact CB-CD2 4.09Å; P60-L65 HydrophobicContact CB-CG 4.33Å; P60-L65 HydrophobicContact CG-CD1 4.31Å; P60-L65 HydrophobicContact CG-CD2 3.94Å; P60-L65 HydrophobicContact CG-CG 4.32Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 2.92Å; T61-L65 VanDerWaalsContact O-N 3.13Å; I62-L65 PolarHBondContact O-N 3.04Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.1Å; L65-P123 HydrophobicContact CD1-CG 3.71Å; L65-F138 HydrophobicContact CD2-CD2 4.39Å; L65-F138 HydrophobicContact CD2-CE2 3.77Å; L65-F138 HydrophobicContact CD2-CZ 3.87Å; L65-V141 HydrophobicContact CD1-CG1 3.63Å; L65-V141 HydrophobicContact CD2-CB 4.4Å; L65-V141 HydrophobicContact CD2-CG1 3.71Å; L65-V141 HydrophobicContact CG-CG1 4.34Å; L65-K142 HydrophobicContact CD2-CB 4.14Å; L65-K142 WeakPolarHBondContact O-CE 3.3Å; L65-K142 WeakPolarHBondContact O-CG 3.35Å; L65-K142 PolarHBondContact O-NZ 3.44Å; L65-Y145 HydrophobicContact CB-CD1 4.11Å; L65-Y145 HydrophobicContact CB-CG 4.1Å; L65-Y145 HydrophobicContact CD1-CD2 3.78Å; L65-Y145 HydrophobicContact CD1-CG 3.86Å
66T68.9Low74.8Confident70 Ų7087.1 Ų87.143%0.42944%0.442SS..Hα-helixtrans-82.6-23.2176.559.40000113.5I62 I63 E68 Y145I62-T66 HydrophobicContact CG2-CG2 4.08Å; I62-T66 WeakPolarHBondContact O-CG2 3.37Å; I62-T66 PolarHBondContact O-N 3.05Å; I62-T66 PolarHBondContact O-OG1 3.21Å; I63-T66 PolarHBondContact O-N 2.77Å; I63-T66 PolarHBondContact O-OG1 3.5Å; T66-E68 PolarHBondContact O-N 2.89Å; T66-Y145 HydrophobicContact CG2-CE1 3.66Å
67K75.1Confident75Confident128 Ų12885.2 Ų85.256%0.55744%0.436SS*.  trans-47114.9179.8-175170.3-173.1174.10110.4I63 K142I63-K67 WeakPolarHBondContact O-CA 3.47Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 PolarHBondContact O-N 3.3Å; K67-K142 PolarHBondContact O-NZ 3.21Å
68E60Low74.7Confident171 Ų17189.7 Ų89.780%0.79946%0.455SS*.  trans-59.6141.8179.7-67176.8146.900109.3T66 R70T66-E68 PolarHBondContact O-N 2.89Å; E68-R70 PolarHBondContact O-N 3.16Å
69V60.2Low74.5Confident96 Ų9691.8 Ų91.858%0.58249%0.488SS*.  trans-66.1108.5168.8177.70000105.1T71V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.07Å
70R57.1Low74.6Confident189 Ų18988 Ų8871%0.71347%0.474SS*.  trans-56.6100.5175.7-77.7-177.5172.1161-5108.5E68 I73E68-R70 PolarHBondContact O-N 3.16Å; R70-I73 VanDerWaalsContact O-CG1 3.27Å; R70-I73 WeakPolarHBondContact O-CG1 3.27Å
71T61.8Low74.6Confident96 Ų9690.6 Ų90.659%0.58950%0.501SS*.SBendtrans-58.9148.6153.947.60000107.2V69 P85V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 3.07Å; T71-P85 WeakPolarHBondContact CA-O 3.26Å
72N68.3Low74.6Confident112 Ų11292.7 Ų92.760%0.59950%0.504SS*.  trans67.560.2-178.4-50.1-31.7000113.8I83 L84N72-I83 HydrophobicContact CB-CG2 3.42Å; N72-I83 VanDerWaalsContact CB-CG2 3.42Å; N72-L84 CarbonylContact C-O 3.48Å; N72-L84 WeakPolarHBondContact CA-O 3.49Å; N72-L84 PolarHBondContact N-O 2.42Å
73I81.5Confident75Confident45 Ų4593.9 Ų93.923%0.23151%0.51CS..EExtended strand (participates in β ladder)trans-83.6122.5165-42.6-177.9000108.4R70 L84 T87 L90R70-I73 VanDerWaalsContact O-CG1 3.27Å; R70-I73 WeakPolarHBondContact O-CG1 3.27Å; I73-L84 PolarHBondContact N-O 2.83Å; I73-L84 PolarHBondContact O-N 2.93Å; I73-T87 WeakPolarHBondContact CD1-OG1 3.44Å; I73-L90 HydrophobicContact CB-CD2 4.4Å; I73-L90 HydrophobicContact CG2-CD2 3.71Å
74L82.1Confident75.4Confident102 Ų10289.2 Ų89.253%0.53449%0.486SS..EExtended strand (participates in β ladder)trans-68.4144.9173.1-78.3158.8000111.4T76 I83L74-T76 PolarHBondContact O-N 2.87Å; L74-I83 HydrophobicContact CD2-CD1 4.41Å; L74-I83 HydrophobicContact CD2-CG1 3.49Å; L74-I83 VanDerWaalsContact CD2-CG1 3.49Å; L74-I83 HydrophobicContact CG-CG1 4.2Å
75C86Confident75.4Confident11 Ų1188.1 Ų88.17%0.07449%0.487CS..PPolyproline II helixtrans-65.2129.2166.1-172.20000110.7V77 C80 K82 L90 H93 H98C75-V77 PolarHBondContact O-N 3.23Å; C75-C80 HydrophobicContact CB-CB 4.22Å; C75-K82 WeakPolarHBondContact CB-O 3.29Å; C75-K82 PolarHBondContact N-O 3.36Å; C75-L90 HydrophobicContact CB-CD1 4.24Å; C75-H93 PolarHBondContact SG-CD2 3.34Å; C75-H93 PolarHBondContact SG-NE2 3.06Å; C75-H98 PolarHBondContact SG-NE2 3.35Å
76T83.8Confident75.7Confident116 Ų11691 Ų9171%0.71250%0.503SS*.  trans-80.65.6-177.651.90000114.1L74L74-T76 PolarHBondContact O-N 2.87Å
77V83.4Confident76.2Confident37 Ų3791 Ų9122%0.22450%0.502CS..SBendtrans-93.9125179.2-174.50000109.5C75 C80 L94 H98 I100C75-V77 PolarHBondContact O-N 3.23Å; V77-C80 HydrophobicContact CB-CB 4.26Å; V77-C80 VanDerWaalsContact O-CB 3.25Å; V77-C80 WeakPolarHBondContact O-CB 3.48Å; V77-C80 PolarHBondContact O-N 2.32Å; V77-L94 HydrophobicContact CG2-CD2 3.68Å; V77-H98 HydrophobicContact CG2-CB 4.21Å; V77-I100 HydrophobicContact CG2-CD1 3.41Å; V77-I100 VanDerWaalsContact CG2-CD1 3.41Å
78E71.4Confident76.6Confident190 Ų19089.3 Ų89.389%0.88851%0.505SS*.THydrogen-bonded Turntrans-54.6141.6177.4-62.2-174.3168.400111.3C80E78-C80 PolarHBondContact O-N 3.2Å; E78-C80 VanDerWaalsContact O-N 3.16Å
79G75.8Confident77.7Confident91 Ų9182.4 Ų82.494%0.93848%0.477SS*.THydrogen-bonded Turntrans71.8-5.7-174.100000116
80C84.4Confident79Confident18 Ų1878.5 Ų78.512%0.12245%0.453CS..THydrogen-bonded Turntrans-84.7-46.4-178.9-168.80000114.7C75 V77 E78 K82 H93 H98C75-C80 HydrophobicContact CB-CB 4.22Å; V77-C80 HydrophobicContact CB-CB 4.26Å; V77-C80 VanDerWaalsContact O-CB 3.25Å; V77-C80 WeakPolarHBondContact O-CB 3.48Å; V77-C80 PolarHBondContact O-N 2.32Å; E78-C80 PolarHBondContact O-N 3.2Å; E78-C80 VanDerWaalsContact O-N 3.16Å; C80-K82 WeakPolarHBondContact O-CG 3.34Å; C80-K82 PolarHBondContact O-N 3.45Å; C80-H93 VanDerWaalsContact SG-CE1 3.5Å; C80-H93 PolarHBondContact SG-NE2 3.07Å; C80-H98 WeakPolarHBondContact CB-CE1 3.39Å; C80-H98 WeakPolarHBondContact CB-NE2 3.46Å; C80-H98 PolarHBondContact SG-CE1 3.31Å; C80-H98 PolarHBondContact SG-NE2 2.95Å
81G80.4Confident80.2Confident56 Ų5672.6 Ų72.658%0.57744%0.436SS*.  trans62.3-5.8178.900000118.2I83G81-I83 PolarHBondContact O-N 3.2Å
82K83Confident81.4Confident115 Ų11573.1 Ų73.150%0.543%0.432SS..  trans-70.3118.4-170.3-65.6-175.1-167.3-176.90112.2C75 C80C75-K82 WeakPolarHBondContact CB-O 3.29Å; C75-K82 PolarHBondContact N-O 3.36Å; C80-K82 WeakPolarHBondContact O-CG 3.34Å; C80-K82 PolarHBondContact O-N 3.45Å
83I82.9Confident82.2Confident103 Ų10368.5 Ų68.553%0.52841%0.407SS..EExtended strand (participates in β ladder)trans-77.6132.9170.3-62.7171.1000109N72 L74 G81N72-I83 HydrophobicContact CB-CG2 3.42Å; N72-I83 VanDerWaalsContact CB-CG2 3.42Å; L74-I83 HydrophobicContact CD2-CD1 4.41Å; L74-I83 HydrophobicContact CD2-CG1 3.49Å; L74-I83 VanDerWaalsContact CD2-CG1 3.49Å; L74-I83 HydrophobicContact CG-CG1 4.2Å; G81-I83 PolarHBondContact O-N 3.2Å
84L83.7Confident82.5Confident32 Ų3266.8 Ų66.817%0.16840%0.399CS..EExtended strand (participates in β ladder)trans-130.8141.8-177.3-69.3166.5000112.4N72 I73 N86 A89 L90 H93N72-L84 CarbonylContact C-O 3.48Å; N72-L84 WeakPolarHBondContact CA-O 3.49Å; N72-L84 PolarHBondContact N-O 2.42Å; I73-L84 PolarHBondContact N-O 2.83Å; I73-L84 PolarHBondContact O-N 2.93Å; L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.43Å; L84-A89 HydrophobicContact CB-CB 4.4Å; L84-L90 HydrophobicContact CD1-CB 4.34Å; L84-L90 HydrophobicContact CD1-CD1 4.16Å; L84-H93 HydrophobicContact CD1-CB 3.39Å; L84-H93 VanDerWaalsContact CD1-CD2 3.42Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å
85P79.5Confident82.7Confident72 Ų7265.7 Ų65.747%0.46840%0.396SS..SBendtrans-75-12.3-166.129.3-36.9000114.7T71 A89T71-P85 WeakPolarHBondContact CA-O 3.26Å; P85-A89 HydrophobicContact CG-CB 4.45Å
86N79.6Confident82.6Confident62 Ų6272.5 Ų72.533%0.33242%0.424SS..SBendtrans-162.8165.3176.557.951.1000112.3L84 P88 A89 L90L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.43Å; N86-P88 WeakPolarHBondContact OD1-CD 3.32Å; N86-A89 PolarHBondContact O-N 2.79Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.38Å; N86-A89 PolarHBondContact OD1-N 3.08Å; N86-L90 PolarHBondContact O-N 3.3Å
87T81Confident82.4Confident68 Ų6870 Ų7042%0.41741%0.412SS..Hα-helixtrans-60-40.3179.5-33.50000113.9I73 A89 L90 N91I73-T87 WeakPolarHBondContact CD1-OG1 3.44Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 2.99Å; T87-L90 WeakPolarHBondContact O-CB 3.47Å; T87-L90 PolarHBondContact O-N 3.06Å; T87-N91 VanDerWaalsContact O-CG 3.31Å; T87-N91 PolarHBondContact O-N 3.05Å; T87-N91 PolarHBondContact O-OD1 3.24Å
88P82.4Confident82.4Confident93 Ų9371.3 Ų71.360%0.60442%0.415SS*.Hα-helixtrans-58.9-38.5173.2-27.936.5000114N86 N91 M92N86-P88 WeakPolarHBondContact OD1-CD 3.32Å; P88-N91 PolarHBondContact O-N 2.92Å; P88-M92 VanDerWaalsContact O-CB 3.27Å; P88-M92 WeakPolarHBondContact O-CB 3.27Å; P88-M92 PolarHBondContact O-N 2.9Å
89A84.3Confident82.8Confident27 Ų2772.4 Ų72.422%0.22341%0.411CS..Hα-helixtrans-68.8-37.9174.700000111.9L84 P85 N86 T87 M92 H93L84-A89 HydrophobicContact CB-CB 4.4Å; P85-A89 HydrophobicContact CG-CB 4.45Å; N86-A89 PolarHBondContact O-N 2.79Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.38Å; N86-A89 PolarHBondContact OD1-N 3.08Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 2.99Å; A89-M92 PolarHBondContact O-N 3.09Å; A89-H93 VanDerWaalsContact O-CB 3.29Å; A89-H93 WeakPolarHBondContact O-CB 3.46Å; A89-H93 PolarHBondContact O-N 3.25Å
90L85.5Confident82.7Confident14 Ų1471 Ų717%0.07338%0.381CS..Hα-helixtrans-59.5-51.4170.5176.359000111.5I73 C75 L84 N86 T87 M92 H93 L94I73-L90 HydrophobicContact CB-CD2 4.4Å; I73-L90 HydrophobicContact CG2-CD2 3.71Å; C75-L90 HydrophobicContact CB-CD1 4.24Å; L84-L90 HydrophobicContact CD1-CB 4.34Å; L84-L90 HydrophobicContact CD1-CD1 4.16Å; N86-L90 PolarHBondContact O-N 3.3Å; T87-L90 WeakPolarHBondContact O-CB 3.47Å; T87-L90 PolarHBondContact O-N 3.06Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.19Å; L90-H93 CarbonylContact O-C 3.58Å; L90-H93 WeakPolarHBondContact O-CA 3.18Å; L90-H93 WeakPolarHBondContact O-CB 3.35Å; L90-H93 PolarHBondContact O-N 3.48Å; L90-L94 HydrophobicContact CD1-CD1 4.06Å; L90-L94 HydrophobicContact CD1-CD2 4.38Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.48Å
91N84.1Confident81.6Confident65 Ų6579 Ų7935%0.34841%0.414SS..Hα-helixtrans-60.6-42178.8-64.33000111.5T87 P88 H93 L94 V95T87-N91 VanDerWaalsContact O-CG 3.31Å; T87-N91 PolarHBondContact O-N 3.05Å; T87-N91 PolarHBondContact O-OD1 3.24Å; P88-N91 PolarHBondContact O-N 2.92Å; N91-H93 VanDerWaalsContact C-N 3.29Å; N91-H93 PolarHBondContact O-N 3.27Å; N91-L94 PolarHBondContact O-N 2.83Å; N91-V95 WeakPolarHBondContact O-CG2 3.4Å; N91-V95 PolarHBondContact O-N 3.03Å; N91-V95 VanDerWaalsContact O-N 3.08Å
92M85.7Confident80.5Confident106 Ų10680.7 Ų80.752%0.52241%0.41SS..Hα-helixtrans-59.6-38.5173.7-17671.664.100112P88 A89 L90 K96P88-M92 VanDerWaalsContact O-CB 3.27Å; P88-M92 WeakPolarHBondContact O-CB 3.27Å; P88-M92 PolarHBondContact O-N 2.9Å; A89-M92 PolarHBondContact O-N 3.09Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.19Å; M92-K96 HydrophobicContact CG-CD 4.13Å; M92-K96 VanDerWaalsContact O-CB 3.24Å; M92-K96 WeakPolarHBondContact O-CB 3.47Å; M92-K96 VanDerWaalsContact O-CG 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.37Å; M92-K96 PolarHBondContact O-N 2.91Å; M92-K96 HydrophobicContact SD-CD 3.98Å; M92-K96 WeakPolarHBondContact SD-CE 3.48Å
93H86.3Confident79Confident16 Ų1678.7 Ų78.77%0.07442%0.422CS..Hα-helixtrans-74.8-42.6178.5167.455.9000113.1C75 C80 L84 A89 L90 N91 V95 K96 S97 H98C75-H93 PolarHBondContact SG-CD2 3.34Å; C75-H93 PolarHBondContact SG-NE2 3.06Å; C80-H93 VanDerWaalsContact SG-CE1 3.5Å; C80-H93 PolarHBondContact SG-NE2 3.07Å; L84-H93 HydrophobicContact CD1-CB 3.39Å; L84-H93 VanDerWaalsContact CD1-CD2 3.42Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.33Å; A89-H93 VanDerWaalsContact O-CB 3.29Å; A89-H93 WeakPolarHBondContact O-CB 3.46Å; A89-H93 PolarHBondContact O-N 3.25Å; L90-H93 CarbonylContact O-C 3.58Å; L90-H93 WeakPolarHBondContact O-CA 3.18Å; L90-H93 WeakPolarHBondContact O-CB 3.35Å; L90-H93 PolarHBondContact O-N 3.48Å; N91-H93 VanDerWaalsContact C-N 3.29Å; N91-H93 PolarHBondContact O-N 3.27Å; H93-V95 VanDerWaalsContact C-N 3.31Å; H93-V95 PolarHBondContact O-N 3.48Å; H93-K96 PolarHBondContact O-N 2.86Å; H93-S97 WeakPolarHBondContact CE1-CB 3.49Å; H93-S97 PolarHBondContact CE1-OG 3.36Å; H93-S97 VanDerWaalsContact ND1-CB 3.29Å; H93-S97 WeakPolarHBondContact ND1-CB 3.3Å; H93-S97 PolarHBondContact ND1-OG 3.4Å; H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.89Å; H93-H98 AromaticContact CD2-NE2 3.56Å; H93-H98 AromaticContact CE1-CD2 3.85Å; H93-H98 AromaticContact CE1-NE2 2.83Å; H93-H98 PolarHBondContact CE1-NE2 2.94Å; H93-H98 AromaticContact ND1-NE2 3.99Å; H93-H98 AromaticContact NE2-CD2 3.66Å; H93-H98 AromaticContact NE2-NE2 2.42Å; H93-H98 PolarHBondContact NE2-NE2 3.08Å
94L87.2Confident77.5Confident9 Ų979.2 Ų79.25%0.04742%0.424CS..Hα-helixtrans-56.4-46.9173.6-69.7169.5000110.6V77 L90 N91 H98 R99 I100V77-L94 HydrophobicContact CG2-CD2 3.68Å; L90-L94 HydrophobicContact CD1-CD1 4.06Å; L90-L94 HydrophobicContact CD1-CD2 4.38Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.33Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.48Å; N91-L94 PolarHBondContact O-N 2.83Å; L94-H98 CarbonylContact O-C 3.54Å; L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-N 3.46Å; L94-R99 PolarHBondContact O-N 3.18Å; L94-R99 VanDerWaalsContact O-N 3.08Å; L94-I100 HydrophobicContact CB-CB 4.4Å; L94-I100 HydrophobicContact CD2-CD1 4.24Å; L94-I100 PolarHBondContact O-N 3.47Å
95V85.4Confident75.5Confident79 Ų7981.4 Ų81.448%0.47944%0.439SS..Hα-helixtrans-68.2-40.7177.5173.60000112.7N91 H93 R99N91-V95 WeakPolarHBondContact O-CG2 3.4Å; N91-V95 PolarHBondContact O-N 3.03Å; N91-V95 VanDerWaalsContact O-N 3.08Å; H93-V95 VanDerWaalsContact C-N 3.31Å; H93-V95 PolarHBondContact O-N 3.48Å; V95-R99 WeakPolarHBondContact O-CA 3.38Å
96K84.3Confident73.6Confident154 Ų15483.3 Ų83.367%0.6745%0.445SS*.Hα-helixtrans-84.2-42.7-175.5-75.9-176.8173.4177.50115M92 H93M92-K96 HydrophobicContact CG-CD 4.13Å; M92-K96 VanDerWaalsContact O-CB 3.24Å; M92-K96 WeakPolarHBondContact O-CB 3.47Å; M92-K96 VanDerWaalsContact O-CG 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.37Å; M92-K96 PolarHBondContact O-N 2.91Å; M92-K96 HydrophobicContact SD-CD 3.98Å; M92-K96 WeakPolarHBondContact SD-CE 3.48Å; H93-K96 PolarHBondContact O-N 2.86Å
97S80.6Confident72.1Confident64 Ų6486.3 Ų86.345%0.44847%0.468SS..Hα-helixtrans-93.5-36.2-173.3-59.50000112.8H93H93-S97 WeakPolarHBondContact CE1-CB 3.49Å; H93-S97 PolarHBondContact CE1-OG 3.36Å; H93-S97 VanDerWaalsContact ND1-CB 3.29Å; H93-S97 WeakPolarHBondContact ND1-CB 3.3Å; H93-S97 PolarHBondContact ND1-OG 3.4Å; H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.89Å
98H82.1Confident70.5Confident64 Ų6489.2 Ų89.230%0.29649%0.486SS..SBendtrans-105.5-7.2-177.2-58-60.3000113.3C75 V77 C80 H93 L94 I100C75-H98 PolarHBondContact SG-NE2 3.35Å; V77-H98 HydrophobicContact CG2-CB 4.21Å; C80-H98 WeakPolarHBondContact CB-CE1 3.39Å; C80-H98 WeakPolarHBondContact CB-NE2 3.46Å; C80-H98 PolarHBondContact SG-CE1 3.31Å; C80-H98 PolarHBondContact SG-NE2 2.95Å; H93-H98 AromaticContact CD2-NE2 3.56Å; H93-H98 AromaticContact CE1-CD2 3.85Å; H93-H98 AromaticContact CE1-NE2 2.83Å; H93-H98 PolarHBondContact CE1-NE2 2.94Å; H93-H98 AromaticContact ND1-NE2 3.99Å; H93-H98 AromaticContact NE2-CD2 3.66Å; H93-H98 AromaticContact NE2-NE2 2.42Å; H93-H98 PolarHBondContact NE2-NE2 3.08Å; L94-H98 CarbonylContact O-C 3.54Å; L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-N 3.46Å; H98-I100 HydrophobicContact CB-CB 4.46Å; H98-I100 HydrophobicContact CB-CD1 3.77Å; H98-I100 HydrophobicContact CB-CG1 3.78Å; H98-I100 PolarHBondContact O-N 2.72Å
99R80.5Confident68.6Low213 Ų21389.8 Ų89.880%0.80449%0.487SS*.  trans54.319.8-172.6-58.6-177176.9-170.40.1113.5L94 V95 K101L94-R99 PolarHBondContact O-N 3.18Å; L94-R99 VanDerWaalsContact O-N 3.08Å; V95-R99 WeakPolarHBondContact O-CA 3.38Å; R99-K101 PolarHBondContact O-N 2.88Å
100I74.4Confident66.9Low60 Ų6095.6 Ų95.631%0.30850%0.503SS..  trans-69.998.2176.3-66.3173.1000107.2V77 L94 H98 D102V77-I100 HydrophobicContact CG2-CD1 3.41Å; V77-I100 VanDerWaalsContact CG2-CD1 3.41Å; L94-I100 HydrophobicContact CB-CB 4.4Å; L94-I100 HydrophobicContact CD2-CD1 4.24Å; L94-I100 PolarHBondContact O-N 3.47Å; H98-I100 HydrophobicContact CB-CB 4.46Å; H98-I100 HydrophobicContact CB-CD1 3.77Å; H98-I100 HydrophobicContact CB-CG1 3.78Å; H98-I100 PolarHBondContact O-N 2.72Å; I100-D102 PolarHBondContact O-N 3.43Å
101K61.7Low65.3Low188 Ų188104.1 Ų104.182%0.81754%0.54SS*.  trans-83.373.5168-66.2-179.1-176.9176.60108.3R99 G103R99-K101 PolarHBondContact O-N 2.88Å; K101-G103 PolarHBondContact O-N 2.83Å
102D56.8Low63.3Low91 Ų91108.3 Ų108.349%0.48756%0.558SS.*  trans-50.9139159.3-71-47.4000108.4I100 I104I100-D102 PolarHBondContact O-N 3.43Å; D102-I104 HydrophobicContact CB-CD1 4.28Å; D102-I104 HydrophobicContact CB-CG1 4.15Å; D102-I104 PolarHBondContact O-N 3.28Å
103G50.7Low61.6Low72 Ų72110.9 Ų110.974%0.74257%0.57SS**SBendtrans-68.328.8-171.500000115.9K101 V105K101-G103 PolarHBondContact O-N 2.83Å; G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.23Å
104I51Low59.8Low114 Ų114120.3 Ų120.359%0.58561%0.611SS**  trans-80.678.9-176.2-52.4-179.2000109.2D102D102-I104 HydrophobicContact CB-CD1 4.28Å; D102-I104 HydrophobicContact CB-CG1 4.15Å; D102-I104 PolarHBondContact O-N 3.28Å
105V42.8Very low58.1Low79 Ų79122.5 Ų122.548%0.47964%0.635SS.*  trans-41.7136.2170.7-1780000111.7G103G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.23Å
106N38.3Very low56.8Low112 Ų112121.8 Ų121.860%0.59963%0.634SS**  trans-41.3131.2179.1-69.9-59.8000113.3T108 V109N106-T108 PolarHBondContact O-N 2.84Å; N106-V109 PolarHBondContact O-N 3.04Å; N106-V109 VanDerWaalsContact O-N 3.13Å
107P49.3Very low56.1Low124 Ų124119.7 Ų119.781%0.80563%0.627SS**THydrogen-bonded Turntrans-57.7-22-179.6-27.535.4000115.3
108T46.3Very low56Low129 Ų129120.8 Ų120.879%0.79162%0.623SS**THydrogen-bonded Turntrans-79.4-14.2-178.747.40000114.4N106N106-T108 PolarHBondContact O-N 2.84Å
109V43.8Very low56.2Low105 Ų105119 Ų11964%0.63662%0.616SS**SBendtrans-125.159.2-173.3-163.40000111N106N106-V109 PolarHBondContact O-N 3.04Å; N106-V109 VanDerWaalsContact O-N 3.13Å
110R47.8Very low56.3Low149 Ų149111 Ų11156%0.56259%0.586SS**  trans-136.840.6172.4-69.1-169.3177.1-166.3-2.5112.5
111K51.9Low56.9Low193 Ų193108.1 Ų108.184%0.83957%0.571SS**SBendtrans-74.5-32.6176.8177.9177.8179.4-176.50112
112E42.2Very low58.1Low154 Ų15499.2 Ų99.272%0.7253%0.533SS*.  trans-120.488.5171.136.3-74.3109.900112.6
113M49.8Very low59.4Low159 Ų15996.2 Ų96.278%0.78352%0.518SS*.  trans-132116.7155.5-171.96473.600108.3G115M113-G115 PolarHBondContact O-N 3.19Å
114K49.8Very low60.8Low215 Ų21595.1 Ų95.194%0.93550%0.495SS*.  trans-79.545-167.6-162.1175.4177.2177.20113.4
115G50.8Low62.1Low54 Ų5495.9 Ų95.956%0.55750%0.496SS*.SBendtrans-87164.1168.800000111.9M113 Q117M113-G115 PolarHBondContact O-N 3.19Å; G115-Q117 PolarHBondContact O-N 2.88Å
116S58.1Low63.7Low64 Ų6496.2 Ų96.245%0.44852%0.515SS..  trans-58.6124.7176.148.70000110.7E56 K118E56-S116 PolarHBondContact OE2-OG 3.49Å; S116-K118 PolarHBondContact O-N 3.39Å
117Q69.7Low65.9Low111 Ų11191.5 Ų91.552%0.51949%0.491SS..  trans-69.696.8170.1-75-174.4-12.600108.2R55 G115 L119R55-Q117 HydrophobicContact CG-CB 4.49Å; G115-Q117 PolarHBondContact O-N 2.88Å; Q117-L119 PolarHBondContact O-N 2.95Å
118K79.1Confident67.1Low86 Ų8691 Ų9137%0.37449%0.487SS..  trans-65.4113.9174.7-70176.4-177.7-70.10109.1E56 I58 S116 Y120E56-K118 HydrophobicContact CB-CG 4.36Å; E56-K118 WeakPolarHBondContact O-CA 3.33Å; E56-K118 IonicContact OE1-NZ 2.66Å; E56-K118 PolarHBondContact OE1-NZ 3.19Å; E56-K118 IonicContact OE2-NZ 2.73Å; E56-K118 PolarHBondContact OE2-NZ 3.24Å; I58-K118 HydrophobicContact CD1-CB 3.94Å; I58-K118 HydrophobicContact CD1-CD 3.74Å; I58-K118 HydrophobicContact CD1-CG 3.83Å; S116-K118 PolarHBondContact O-N 3.39Å; K118-Y120 HydrophobicContact CB-CE2 3.96Å; K118-Y120 WeakPolarHBondContact O-CD2 3.31Å; K118-Y120 VanDerWaalsContact O-CE2 3.31Å; K118-Y120 WeakPolarHBondContact O-CE2 3.36Å
119L85.1Confident68.5Low28 Ų2886.7 Ų86.715%0.14746%0.457CS..EExtended strand (participates in β ladder)trans-103.8128.1-179.6-73.5-175000109.1R55 E56 I57 I58 Q117 P134R55-L119 HydrophobicContact CB-CD1 4.03Å; R55-L119 HydrophobicContact CG-CD1 4.29Å; E56-L119 PolarHBondContact O-N 3.49Å; I57-L119 CarbonylContact C-O 3.59Å; I57-L119 WeakPolarHBondContact CA-O 3.24Å; I57-L119 HydrophobicContact CG1-CB 4.42Å; I58-L119 PolarHBondContact N-O 3.12Å; Q117-L119 PolarHBondContact O-N 2.95Å; L119-P134 HydrophobicContact CB-CB 3.92Å; L119-P134 HydrophobicContact CB-CG 4.19Å; L119-P134 HydrophobicContact CD1-CG 3.93Å; L119-P134 HydrophobicContact CG-CG 4.5Å
120Y83.5Confident69.9Low44 Ų4482.1 Ų82.117%0.17343%0.43CS..EExtended strand (participates in β ladder)trans-106.7129.3-172.5-59.9-92.3000110.7I58 P60 K118 P134 F135 F138 V141I58-Y120 HydrophobicContact CB-CD1 4.06Å; I58-Y120 HydrophobicContact CB-CE1 4.19Å; I58-Y120 HydrophobicContact CD1-CE1 4Å; I58-Y120 HydrophobicContact CG2-CD1 4.2Å; I58-Y120 HydrophobicContact CG2-CE1 4.23Å; I58-Y120 WeakPolarHBondContact O-CA 3.45Å; P60-Y120 HydrophobicContact CG-CD1 4.36Å; K118-Y120 HydrophobicContact CB-CE2 3.96Å; K118-Y120 WeakPolarHBondContact O-CD2 3.31Å; K118-Y120 VanDerWaalsContact O-CE2 3.31Å; K118-Y120 WeakPolarHBondContact O-CE2 3.36Å; Y120-P134 WeakPolarHBondContact O-CA 3.46Å; Y120-F135 PolarHBondContact N-O 3.44Å; Y120-F135 PolarHBondContact O-N 3.18Å; Y120-F138 HydrophobicContact CD1-CB 4.03Å; Y120-F138 AromaticContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD2-CB 4.37Å; Y120-F138 HydrophobicContact CE1-CB 3.87Å; Y120-F138 AromaticContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CG 4.42Å; Y120-F138 HydrophobicContact CE2-CB 4.23Å; Y120-F138 HydrophobicContact CG-CB 4.27Å; Y120-V141 VanDerWaalsContact CB-CG2 3.48Å; Y120-V141 VanDerWaalsContact O-CG2 3.31Å; Y120-V141 WeakPolarHBondContact O-CG2 3.32Å
121C87Confident70.9Confident0 Ų078.1 Ų78.10%042%0.424CS..  trans-104157.7176.2-69.90000112.2I57 I58 K59 P60 V141I57-C121 VanDerWaalsContact CG2-SG 3.56Å; I58-C121 PolarHBondContact O-N 3.48Å; K59-C121 HydrophobicContact CG-CB 4.18Å; P60-C121 WeakPolarHBondContact CD-O 3Å; C121-V141 WeakPolarHBondContact O-CG1 3.39Å
122C86.4Confident71.8Confident1 Ų176.6 Ų76.61%0.00743%0.425CS..  trans-65.6133.5162.1-167.80000109.6I124 C127 R129 H149C122-I124 PolarHBondContact O-N 3.27Å; C122-C127 HydrophobicContact CB-CB 4.19Å; C122-R129 WeakPolarHBondContact CB-O 2.8Å; C122-R129 PolarHBondContact N-O 3.42Å; C122-H149 PolarHBondContact SG-CD2 3.24Å; C122-H149 PolarHBondContact SG-NE2 3.41Å
123P83.2Confident73.6Confident28 Ų2875.7 Ų75.718%0.18242%0.415CS..SBendtrans-78.32.4176.631.7-37000114.2P60 I62 L65 Y145P60-P123 WeakPolarHBondContact O-CB 3.49Å; P60-P123 WeakPolarHBondContact O-CG 3.46Å; I62-P123 HydrophobicContact CG1-CB 4.48Å; I62-P123 HydrophobicContact CG1-CG 3.95Å; L65-P123 HydrophobicContact CD1-CG 3.71Å; P123-Y145 HydrophobicContact CG-CD2 4.44Å; P123-Y145 HydrophobicContact CG-CE2 4.49Å
124I81.3Confident75.2Confident49 Ų4969.9 Ų69.925%0.25139%0.389SS..SBendtrans-96.4117178.6-74.9164.5000109.7C122 C127 Y145 H149C122-I124 PolarHBondContact O-N 3.27Å; I124-C127 WeakPolarHBondContact O-CB 3.49Å; I124-C127 PolarHBondContact O-N 2.8Å; I124-Y145 HydrophobicContact CD1-CD2 4.26Å; I124-Y145 HydrophobicContact CD1-CE2 3.61Å; I124-Y145 HydrophobicContact CG1-CE2 4.44Å; I124-H149 HydrophobicContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CG 3.46Å
125E77.9Confident76.9Confident130 Ų13060.7 Ų60.761%0.60735%0.349SS*.THydrogen-bonded Turntrans-63.1144.1176.2-52.7-53.5149.300110.6K59 C127K59-E125 IonicContact NZ-OE1 2.62Å; K59-E125 PolarHBondContact NZ-OE1 3Å; K59-E125 IonicContact NZ-OE2 3.44Å; K59-E125 PolarHBondContact NZ-OE2 3.13Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 3.02Å
126G76.3Confident78.5Confident85 Ų8562 Ų6288%0.87635%0.35SS*.THydrogen-bonded Turntrans79.1-5.1-171.700000115.3
127C83.9Confident79.7Confident14 Ų1464 Ų6410%0.09535%0.352CS..  trans-70.7136.2174.2178.40000112.1C122 I124 E125 R129 G130 H144 H149C122-C127 HydrophobicContact CB-CB 4.19Å; I124-C127 WeakPolarHBondContact O-CB 3.49Å; I124-C127 PolarHBondContact O-N 2.8Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact SG-N 3.12Å; C127-G130 PolarHBondContact O-N 2.76Å; C127-H144 VanDerWaalsContact SG-CE1 3.53Å; C127-H144 PolarHBondContact SG-NE2 2.78Å; C127-H149 PolarHBondContact SG-NE2 2.87Å
128P75.4Confident80.3Confident113 Ų11362.1 Ų62.173%0.73434%0.342SS*.THydrogen-bonded Turntrans-65.62.717428.4-37000114.7
129R75.4Confident80.4Confident39 Ų3960.9 Ų60.915%0.14734%0.344CS..THydrogen-bonded Turntrans-120.829.3171.6-70.5-67.1-160.4148.86.4112.6C122 C127 R133 F135C122-R129 WeakPolarHBondContact CB-O 2.8Å; C122-R129 PolarHBondContact N-O 3.42Å; C127-R129 PolarHBondContact O-N 3.02Å; C127-R129 PolarHBondContact SG-N 3.12Å; R129-R133 VanDerWaalsContact CD-O 3.31Å; R129-R133 WeakPolarHBondContact CD-O 2.96Å; R129-R133 PolarHBondContact NH1-O 2.74Å; R129-F135 HydrophobicContact CB-CE2 3.67Å; R129-F135 HydrophobicContact CB-CZ 3.94Å; R129-F135 HydrophobicContact CG-CE2 3.91Å; R129-F135 HydrophobicContact CG-CZ 3.65Å
130G72.8Confident80.5Confident8 Ų862.5 Ų62.58%0.08235%0.353CS..SBendtrans-72.9-153.316800000113.4C127 N132 R133C127-G130 PolarHBondContact O-N 2.76Å; G130-N132 PolarHBondContact O-N 3.19Å; G130-N132 VanDerWaalsContact O-N 3.12Å; G130-R133 PolarHBondContact O-N 2.97Å; G130-R133 VanDerWaalsContact O-N 3.15Å
131P70.4Confident80.6Confident65 Ų6560.4 Ų60.442%0.42235%0.345SS..THydrogen-bonded Turntrans-60-27.2-170.824-34.1000114.6R133 P134P131-R133 VanDerWaalsContact C-N 3.34Å; P131-R133 PolarHBondContact O-N 3.37Å; P131-P134 WeakPolarHBondContact O-CD 3.49Å
132N69.9Low80.5Confident161 Ų16162.3 Ų62.386%0.86135%0.353SS*.THydrogen-bonded Turntrans-79.9-13.1-176.5-58.4-5.4000113.3G130G130-N132 PolarHBondContact O-N 3.19Å; G130-N132 VanDerWaalsContact O-N 3.12Å
133R80.8Confident80.4Confident136 Ų13668.2 Ų68.251%0.51338%0.381SS..SBendtrans-146.361.3-179.6-159.4-178.4179.3-164.43.2113.3R129 G130 P131R129-R133 VanDerWaalsContact CD-O 3.31Å; R129-R133 WeakPolarHBondContact CD-O 2.96Å; R129-R133 PolarHBondContact NH1-O 2.74Å; G130-R133 PolarHBondContact O-N 2.97Å; G130-R133 VanDerWaalsContact O-N 3.15Å; P131-R133 VanDerWaalsContact C-N 3.34Å; P131-R133 PolarHBondContact O-N 3.37Å
134P83.3Confident80.5Confident36 Ų3668.3 Ų68.323%0.23438%0.378CS..  trans-61.1167.717926.5-35.5000113.4L119 Y120 P131L119-P134 HydrophobicContact CB-CB 3.92Å; L119-P134 HydrophobicContact CB-CG 4.19Å; L119-P134 HydrophobicContact CD1-CG 3.93Å; L119-P134 HydrophobicContact CG-CG 4.5Å; Y120-P134 WeakPolarHBondContact O-CA 3.46Å; P131-P134 WeakPolarHBondContact O-CD 3.49Å
135F84.1Confident80.7Confident22 Ų2266.7 Ų66.710%0.09637%0.369CS..BIsolated β-bridgetrans-105152.2170-55.8-101.2000110.6Y120 R129 Q137 L140 V141 H144Y120-F135 PolarHBondContact N-O 3.44Å; Y120-F135 PolarHBondContact O-N 3.18Å; R129-F135 HydrophobicContact CB-CE2 3.67Å; R129-F135 HydrophobicContact CB-CZ 3.94Å; R129-F135 HydrophobicContact CG-CE2 3.91Å; R129-F135 HydrophobicContact CG-CZ 3.65Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.8Å; F135-L140 HydrophobicContact CB-CB 3.94Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD1-CB 3.53Å; F135-L140 HydrophobicContact CD1-CD1 4.31Å; F135-L140 HydrophobicContact CE1-CB 4.21Å; F135-L140 HydrophobicContact CG-CB 3.95Å; F135-V141 HydrophobicContact CB-CG2 4.13Å; F135-V141 HydrophobicContact CD2-CB 4.44Å; F135-V141 HydrophobicContact CD2-CG2 3.31Å; F135-V141 HydrophobicContact CE2-CG2 3.88Å; F135-V141 HydrophobicContact CG-CG2 4.01Å; F135-H144 HydrophobicContact CE1-CB 4.34Å; F135-H144 HydrophobicContact CE2-CB 4.18Å; F135-H144 HydrophobicContact CZ-CB 3.61Å; F135-H144 AromaticContact CZ-CG 3.67Å
136S84.7Confident80.8Confident83 Ų8364 Ų6458%0.5836%0.357SS*.SBendtrans-77.7-6.3176.850.70000114.6
137Q83.6Confident80.9Confident106 Ų10665.3 Ų65.350%0.49534%0.339SS..SBendtrans-145.9142-176.4-56.9-176.73.100111.8F135 S139 L140 V141F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 2.8Å; Q137-S139 VanDerWaalsContact C-N 3.28Å; Q137-S139 VanDerWaalsContact CB-OG 3.24Å; Q137-S139 WeakPolarHBondContact CB-OG 3.26Å; Q137-S139 PolarHBondContact O-N 2.83Å; Q137-S139 PolarHBondContact OE1-OG 3.02Å; Q137-L140 HydrophobicContact CB-CD1 4.21Å; Q137-L140 HydrophobicContact CB-CG 4.24Å; Q137-L140 PolarHBondContact O-N 3.4Å; Q137-V141 PolarHBondContact O-N 2.81Å
138F81.9Confident80.7Confident70 Ų7069.9 Ų69.931%0.30736%0.36SS..Hα-helixtrans-59.8-35.8175.1178.5-91.7000113P60 E64 L65 Y120 L140 V141 K142P60-F138 HydrophobicContact CB-CD2 4.06Å; P60-F138 HydrophobicContact CB-CE2 3.68Å; P60-F138 HydrophobicContact CG-CD2 4.36Å; P60-F138 HydrophobicContact CG-CE2 4.33Å; E64-F138 HydrophobicContact CB-CE2 4.32Å; E64-F138 HydrophobicContact CB-CZ 4.22Å; L65-F138 HydrophobicContact CD2-CD2 4.39Å; L65-F138 HydrophobicContact CD2-CE2 3.77Å; L65-F138 HydrophobicContact CD2-CZ 3.87Å; Y120-F138 HydrophobicContact CD1-CB 4.03Å; Y120-F138 AromaticContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD1-CD2 3.96Å; Y120-F138 HydrophobicContact CD2-CB 4.37Å; Y120-F138 HydrophobicContact CE1-CB 3.87Å; Y120-F138 AromaticContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CD2 3.98Å; Y120-F138 HydrophobicContact CE1-CG 4.42Å; Y120-F138 HydrophobicContact CE2-CB 4.23Å; Y120-F138 HydrophobicContact CG-CB 4.27Å; F138-L140 VanDerWaalsContact C-N 3.27Å; F138-L140 PolarHBondContact O-N 3.01Å; F138-V141 PolarHBondContact O-N 2.69Å; F138-K142 HydrophobicContact CE1-CD 4.22Å; F138-K142 PolarHBondContact O-N 2.73Å
139S82.6Confident80.9Confident60 Ų6067 Ų6742%0.4234%0.337SS..Hα-helixtrans-51.8-44.2173.846.50000112.5Q137 K142 Q143Q137-S139 VanDerWaalsContact C-N 3.28Å; Q137-S139 VanDerWaalsContact CB-OG 3.24Å; Q137-S139 WeakPolarHBondContact CB-OG 3.26Å; Q137-S139 PolarHBondContact O-N 2.83Å; Q137-S139 PolarHBondContact OE1-OG 3.02Å; S139-K142 PolarHBondContact O-N 3.1Å; S139-Q143 WeakPolarHBondContact O-CB 3.41Å; S139-Q143 PolarHBondContact O-N 3.46Å
140L85.6Confident81.1Confident62 Ų6266 Ų6633%0.32534%0.336SS..Hα-helixtrans-71.9-37.7-178.3-61172.7000112F135 Q137 F138 H144F135-L140 HydrophobicContact CB-CB 3.94Å; F135-L140 HydrophobicContact CB-CD1 4.38Å; F135-L140 HydrophobicContact CD1-CB 3.53Å; F135-L140 HydrophobicContact CD1-CD1 4.31Å; F135-L140 HydrophobicContact CE1-CB 4.21Å; F135-L140 HydrophobicContact CG-CB 3.95Å; Q137-L140 HydrophobicContact CB-CD1 4.21Å; Q137-L140 HydrophobicContact CB-CG 4.24Å; Q137-L140 PolarHBondContact O-N 3.4Å; F138-L140 VanDerWaalsContact C-N 3.27Å; F138-L140 PolarHBondContact O-N 3.01Å; L140-H144 WeakPolarHBondContact O-CB 3.42Å; L140-H144 PolarHBondContact O-N 3.13Å
141V86.1Confident81.3Confident0 Ų072.2 Ų72.20%036%0.363CS..Hα-helixtrans-64.6-43.3170.3172.40000110.9P60 L65 Y120 C121 F135 Q137 F138 H144 Y145P60-V141 HydrophobicContact CG-CG1 3.96Å; L65-V141 HydrophobicContact CD1-CG1 3.63Å; L65-V141 HydrophobicContact CD2-CB 4.4Å; L65-V141 HydrophobicContact CD2-CG1 3.71Å; L65-V141 HydrophobicContact CG-CG1 4.34Å; Y120-V141 VanDerWaalsContact CB-CG2 3.48Å; Y120-V141 VanDerWaalsContact O-CG2 3.31Å; Y120-V141 WeakPolarHBondContact O-CG2 3.32Å; C121-V141 WeakPolarHBondContact O-CG1 3.39Å; F135-V141 HydrophobicContact CB-CG2 4.13Å; F135-V141 HydrophobicContact CD2-CB 4.44Å; F135-V141 HydrophobicContact CD2-CG2 3.31Å; F135-V141 HydrophobicContact CE2-CG2 3.88Å; F135-V141 HydrophobicContact CG-CG2 4.01Å; Q137-V141 PolarHBondContact O-N 2.81Å; F138-V141 PolarHBondContact O-N 2.69Å; V141-H144 PolarHBondContact O-N 2.69Å; V141-Y145 VanDerWaalsContact O-CB 3.23Å; V141-Y145 WeakPolarHBondContact O-CB 3.46Å; V141-Y145 PolarHBondContact O-N 3.49Å
142K84.6Confident81.8Confident40 Ų4074 Ų7417%0.17437%0.365CS..Hα-helixtrans-62.1-45.3178.2-17117317998.70111.6L65 K67 F138 S139 Y145 M146L65-K142 HydrophobicContact CD2-CB 4.14Å; L65-K142 WeakPolarHBondContact O-CE 3.3Å; L65-K142 WeakPolarHBondContact O-CG 3.35Å; L65-K142 PolarHBondContact O-NZ 3.44Å; K67-K142 PolarHBondContact O-NZ 3.21Å; F138-K142 HydrophobicContact CE1-CD 4.22Å; F138-K142 PolarHBondContact O-N 2.73Å; S139-K142 PolarHBondContact O-N 3.1Å; K142-Y145 PolarHBondContact O-N 3.19Å; K142-M146 HydrophobicContact CG-SD 4.39Å; K142-M146 WeakPolarHBondContact O-CB 3.44Å; K142-M146 WeakPolarHBondContact O-CG 3.35Å; K142-M146 PolarHBondContact O-N 3.26Å
143Q84.1Confident82.3Confident126 Ų12673.3 Ų73.359%0.58935%0.354SS*.Hα-helixtrans-62.7-45.9175.1-173.3-174.3700112.1S139 M146 K147S139-Q143 WeakPolarHBondContact O-CB 3.41Å; S139-Q143 PolarHBondContact O-N 3.46Å; Q143-M146 PolarHBondContact O-N 3.37Å; Q143-K147 WeakPolarHBondContact O-CB 3.39Å; Q143-K147 PolarHBondContact O-N 3.23Å
144H85.7Confident82.4Confident29 Ų2969.8 Ų69.813%0.13434%0.343CS..Hα-helixtrans-59.9-47.4176.2162.768.6000111.7C127 F135 L140 V141 K147 M148 H149C127-H144 VanDerWaalsContact SG-CE1 3.53Å; C127-H144 PolarHBondContact SG-NE2 2.78Å; F135-H144 HydrophobicContact CE1-CB 4.34Å; F135-H144 HydrophobicContact CE2-CB 4.18Å; F135-H144 HydrophobicContact CZ-CB 3.61Å; F135-H144 AromaticContact CZ-CG 3.67Å; L140-H144 WeakPolarHBondContact O-CB 3.42Å; L140-H144 PolarHBondContact O-N 3.13Å; V141-H144 PolarHBondContact O-N 2.69Å; H144-K147 PolarHBondContact O-N 3.32Å; H144-M148 WeakPolarHBondContact O-CB 3.32Å; H144-M148 WeakPolarHBondContact O-CG 3.36Å; H144-M148 PolarHBondContact O-N 2.73Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact NE2-CD2 3.69Å; H144-H149 AromaticContact NE2-NE2 3.52Å
145Y84.8Confident82.7Confident16 Ų1675.2 Ų75.26%0.06336%0.363CS..Hα-helixtrans-59.7-48.2176.3-175.8-83.8000110.9I62 L65 T66 P123 I124 V141 K142 K147 M148 H149 A150I62-Y145 HydrophobicContact CG1-CE2 4.01Å; I62-Y145 WeakPolarHBondContact CG2-OH 2.97Å; L65-Y145 HydrophobicContact CB-CD1 4.11Å; L65-Y145 HydrophobicContact CB-CG 4.1Å; L65-Y145 HydrophobicContact CD1-CD2 3.78Å; L65-Y145 HydrophobicContact CD1-CG 3.86Å; T66-Y145 HydrophobicContact CG2-CE1 3.66Å; P123-Y145 HydrophobicContact CG-CD2 4.44Å; P123-Y145 HydrophobicContact CG-CE2 4.49Å; I124-Y145 HydrophobicContact CD1-CD2 4.26Å; I124-Y145 HydrophobicContact CD1-CE2 3.61Å; I124-Y145 HydrophobicContact CG1-CE2 4.44Å; V141-Y145 VanDerWaalsContact O-CB 3.23Å; V141-Y145 WeakPolarHBondContact O-CB 3.46Å; V141-Y145 PolarHBondContact O-N 3.49Å; K142-Y145 PolarHBondContact O-N 3.19Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 3.01Å; Y145-M148 PolarHBondContact O-N 2.93Å; Y145-H149 HydrophobicContact CD2-CB 3.85Å; Y145-H149 HydrophobicContact CE2-CB 3.86Å; Y145-H149 HydrophobicContact CG-CB 4.27Å; Y145-H149 CarbonylContact O-C 3.52Å; Y145-H149 WeakPolarHBondContact O-CA 3.45Å; Y145-H149 WeakPolarHBondContact O-CB 3.23Å; Y145-H149 PolarHBondContact O-N 3.2Å; Y145-A150 HydrophobicContact CD1-CB 4.28Å; Y145-A150 HydrophobicContact CE1-CB 4.05Å; Y145-A150 PolarHBondContact O-N 3.47Å
146M80.3Confident83Confident73 Ų7374.2 Ų74.236%0.3636%0.359SS..Hα-helixtrans-67.1-26179.7-69-167.77900114.2K142 Q143 S164K142-M146 HydrophobicContact CG-SD 4.39Å; K142-M146 WeakPolarHBondContact O-CB 3.44Å; K142-M146 WeakPolarHBondContact O-CG 3.35Å; K142-M146 PolarHBondContact O-N 3.26Å; Q143-M146 PolarHBondContact O-N 3.37Å; M146-S164 WeakPolarHBondContact O-CB 3.49Å; M146-S164 PolarHBondContact O-OG 3.25Å
147K80Confident83.2Confident113 Ų11375.2 Ų75.249%0.49137%0.366SS..Hα-helixtrans-81.7-42.6173.8-173.8179.7177.1-177.40113.1Q143 H144 Y145 W769Q143-K147 WeakPolarHBondContact O-CB 3.39Å; Q143-K147 PolarHBondContact O-N 3.23Å; H144-K147 PolarHBondContact O-N 3.32Å; Y145-K147 VanDerWaalsContact C-N 3.31Å; Y145-K147 PolarHBondContact O-N 3.01Å; K147-W769 PolarHBondContact NZ-O 2.66Å
148M78.8Confident83.4Confident109 Ų10975.9 Ų75.954%0.53737%0.367SS..Hα-helixtrans-100.4-29.3-167.5-59.1-55.2-64.600114.5H144 Y145H144-M148 WeakPolarHBondContact O-CB 3.32Å; H144-M148 WeakPolarHBondContact O-CG 3.36Å; H144-M148 PolarHBondContact O-N 2.73Å; Y145-M148 PolarHBondContact O-N 2.93Å
149H80.7Confident83.5Confident54 Ų5474.7 Ų74.725%0.2537%0.367CS..THydrogen-bonded Turntrans-132.6-24.8-161.1-65.5-56.6000115.6C122 I124 C127 H144 Y145C122-H149 PolarHBondContact SG-CD2 3.24Å; C122-H149 PolarHBondContact SG-NE2 3.41Å; I124-H149 HydrophobicContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CB 3.45Å; I124-H149 VanDerWaalsContact CD1-CG 3.46Å; C127-H149 PolarHBondContact SG-NE2 2.87Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact NE2-CD2 3.69Å; H144-H149 AromaticContact NE2-NE2 3.52Å; Y145-H149 HydrophobicContact CD2-CB 3.85Å; Y145-H149 HydrophobicContact CE2-CB 3.86Å; Y145-H149 HydrophobicContact CG-CB 4.27Å; Y145-H149 CarbonylContact O-C 3.52Å; Y145-H149 WeakPolarHBondContact O-CA 3.45Å; Y145-H149 WeakPolarHBondContact O-CB 3.23Å; Y145-H149 PolarHBondContact O-N 3.2Å
150A78.4Confident83.7Confident16 Ų1678.1 Ų78.113%0.13238%0.38CS..SBendtrans-60.7145.7174.100000110.9Y145 K152Y145-A150 HydrophobicContact CD1-CB 4.28Å; Y145-A150 HydrophobicContact CE1-CB 4.05Å; Y145-A150 PolarHBondContact O-N 3.47Å; A150-K152 PolarHBondContact O-N 3.42Å
151E77Confident83.6Confident139 Ų13979 Ų7965%0.6539%0.386SS*.  trans-58121.3-176.8-171.1-177.4-168.200111.1K153E151-K153 HydrophobicContact CB-CG 4.36Å; E151-K153 HydrophobicContact CG-CG 3.94Å; E151-K153 PolarHBondContact O-N 3.03Å; E151-K153 WeakPolarHBondContact OE2-CE 3.19Å; E151-K153 IonicContact OE2-NZ 3.64Å
152K80.8Confident83.6Confident104 Ų10479.7 Ų79.745%0.45239%0.393SS..  trans-83.765.1-174.9-76.2175.5165.6-173.30111.5A150 H154 G162 Y163A150-K152 PolarHBondContact O-N 3.42Å; K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.78Å; K152-G162 WeakPolarHBondContact CD-O 3.43Å; K152-G162 WeakPolarHBondContact CE-O 3.25Å; K152-G162 WeakPolarHBondContact CG-O 3.39Å; K152-Y163 CarbonylContact C-O 3.33Å; K152-Y163 WeakPolarHBondContact CA-O 3.46Å
153K81Confident83.7Confident146 Ų14680.2 Ų80.264%0.63539%0.394SS*.  trans-60.7-37.6-175.7-65-176.1177.2-176.70113.2E151 Y163E151-K153 HydrophobicContact CB-CG 4.36Å; E151-K153 HydrophobicContact CG-CG 3.94Å; E151-K153 PolarHBondContact O-N 3.03Å; E151-K153 WeakPolarHBondContact OE2-CE 3.19Å; E151-K153 IonicContact OE2-NZ 3.64Å; K153-Y163 PolarHBondContact N-O 2.7Å
154H83.1Confident83.6Confident62 Ų6275.7 Ų75.729%0.28738%0.377SS..EExtended strand (participates in β ladder)trans-95104.7-172.9-60-86000110.7K152 G162 Y163 E166 L169K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.78Å; H154-G162 CarbonylContact O-C 3.54Å; H154-G162 WeakPolarHBondContact O-CA 3.31Å; H154-Y163 PolarHBondContact N-O 3.26Å; H154-Y163 PolarHBondContact O-N 3.13Å; H154-E166 PolarHBondContact CD2-N 3.12Å; H154-L169 HydrophobicContact CB-CB 3.87Å; H154-L169 HydrophobicContact CB-CD2 3.73Å; H154-L169 HydrophobicContact CB-CG 4.35Å
155K89.4Confident83.5Confident150 Ų15076.4 Ų76.465%0.65238%0.383SS*.EExtended strand (participates in β ladder)trans-98.4137.8-178.4-64.6176.6-175.8172.80112N161K155-N161 WeakPolarHBondContact CA-O 3.43Å
156C90.8Very high83.5Confident0 Ų081.9 Ų81.90%041%0.409CS..  trans-82.2121.5176.9-178.40000111.7K158 C159 N160 N161 Y163 L169 H172C156-K158 PolarHBondContact O-N 3.26Å; C156-C159 VanDerWaalsContact CB-SG 3.56Å; C156-C159 PolarHBondContact O-N 3.16Å; C156-C159 VanDerWaalsContact SG-SG 3.61Å; C156-N160 VanDerWaalsContact O-CA 3.23Å; C156-N160 WeakPolarHBondContact O-CA 3.48Å; C156-N160 PolarHBondContact O-N 2.79Å; C156-N161 PolarHBondContact N-O 3.18Å; C156-Y163 HydrophobicContact CB-CE2 4.13Å; C156-L169 HydrophobicContact CB-CD1 3.61Å; C156-H172 VanDerWaalsContact SG-CD2 3.55Å
157S89.2Confident83.8Confident105 Ų10587 Ų8773%0.73443%0.425SS*.THydrogen-bonded Turntrans-60.9-26.9179.752.50000114.4
158K85.8Confident84.1Confident120 Ų12083.7 Ų83.752%0.52241%0.412SS..THydrogen-bonded Turntrans-79.7-26.4-178.1-66.5174.3175.5177.10114.2C156 I173 C176C156-K158 PolarHBondContact O-N 3.26Å; K158-I173 PolarHBondContact NZ-O 3.12Å; K158-C176 HydrophobicContact CB-CB 4.48Å; K158-C176 VanDerWaalsContact CB-SG 3.54Å; K158-C176 HydrophobicContact CD-CB 3.86Å; K158-C176 VanDerWaalsContact CD-O 3.25Å; K158-C176 WeakPolarHBondContact CD-O 3.05Å; K158-C176 PolarHBondContact NZ-O 2.94Å
159C85.4Confident84.5Confident44 Ų4479.6 Ų79.630%0.29739%0.392SS..THydrogen-bonded Turntrans-142.8-0.4-169.368.60000114.8C156 N161 H172C156-C159 VanDerWaalsContact CB-SG 3.56Å; C156-C159 PolarHBondContact O-N 3.16Å; C156-C159 VanDerWaalsContact SG-SG 3.61Å; C159-N161 PolarHBondContact O-N 2.7Å; C159-N161 PolarHBondContact SG-ND2 3.42Å; C159-N161 VanDerWaalsContact SG-ND2 3.44Å; C159-H172 PolarHBondContact SG-NE2 2.85Å
160N85.9Confident84.9Confident132 Ų13282.4 Ų82.471%0.70640%0.404SS*.  trans57.73.6-175.2-64.5-54.1000116.8C156 G162C156-N160 VanDerWaalsContact O-CA 3.23Å; C156-N160 WeakPolarHBondContact O-CA 3.48Å; C156-N160 PolarHBondContact O-N 2.79Å; N160-G162 PolarHBondContact O-N 2.68Å
161N84.4Confident85.4Confident81 Ų8188.5 Ų88.543%0.43342%0.423SS..  trans-60.8136.3172.4-74.7-42.1000111K155 C156 C159 Y163K155-N161 WeakPolarHBondContact CA-O 3.43Å; C156-N161 PolarHBondContact N-O 3.18Å; C159-N161 PolarHBondContact O-N 2.7Å; C159-N161 PolarHBondContact SG-ND2 3.42Å; C159-N161 VanDerWaalsContact SG-ND2 3.44Å; N161-Y163 HydrophobicContact CB-CE2 3.72Å; N161-Y163 WeakPolarHBondContact CB-OH 3.29Å; N161-Y163 WeakPolarHBondContact O-CD2 3.39Å; N161-Y163 VanDerWaalsContact O-CE2 3.29Å; N161-Y163 WeakPolarHBondContact O-CE2 3.49Å
162G86.5Confident85.9Confident15 Ų1583.9 Ų83.916%0.15540%0.402CS..EExtended strand (participates in β ladder)trans-100.1142.5177.700000113.2K152 H154 N160K152-G162 WeakPolarHBondContact CD-O 3.43Å; K152-G162 WeakPolarHBondContact CE-O 3.25Å; K152-G162 WeakPolarHBondContact CG-O 3.39Å; H154-G162 CarbonylContact O-C 3.54Å; H154-G162 WeakPolarHBondContact O-CA 3.31Å; N160-G162 PolarHBondContact O-N 2.68Å
163Y86Confident86.3Confident50 Ų5082 Ų8220%0.19640%0.396CS..EExtended strand (participates in β ladder)trans-125.9147.3-177.4-60.9-87.1000110K152 K153 H154 C156 N161 D168 L169 H172K152-Y163 CarbonylContact C-O 3.33Å; K152-Y163 WeakPolarHBondContact CA-O 3.46Å; K153-Y163 PolarHBondContact N-O 2.7Å; H154-Y163 PolarHBondContact N-O 3.26Å; H154-Y163 PolarHBondContact O-N 3.13Å; C156-Y163 HydrophobicContact CB-CE2 4.13Å; N161-Y163 HydrophobicContact CB-CE2 3.72Å; N161-Y163 WeakPolarHBondContact CB-OH 3.29Å; N161-Y163 WeakPolarHBondContact O-CD2 3.39Å; N161-Y163 VanDerWaalsContact O-CE2 3.29Å; N161-Y163 WeakPolarHBondContact O-CE2 3.49Å; Y163-D168 HydrophobicContact CD1-CB 4.08Å; Y163-D168 HydrophobicContact CG-CB 4.5Å; Y163-L169 HydrophobicContact CD2-CB 4.26Å; Y163-L169 HydrophobicContact CD2-CD1 3.85Å; Y163-L169 HydrophobicContact CE2-CD1 4.31Å; Y163-L169 HydrophobicContact CG-CB 4.36Å; Y163-H172 HydrophobicContact CE1-CB 4.04Å; Y163-H172 HydrophobicContact CE2-CB 4.15Å; Y163-H172 AromaticContact CE2-CD2 3.49Å; Y163-H172 VanDerWaalsContact CE2-CD2 3.49Å; Y163-H172 WeakPolarHBondContact CE2-CD2 3.41Å; Y163-H172 AromaticContact CE2-CG 3.86Å; Y163-H172 AromaticContact CZ-CD2 3.49Å; Y163-H172 VanDerWaalsContact CZ-CD2 3.49Å; Y163-H172 AromaticContact CZ-CG 3.45Å; Y163-H172 VanDerWaalsContact CZ-CG 3.45Å; Y163-H172 PolarHBondContact OH-CD2 3.49Å; Y163-H172 PolarHBondContact OH-CE1 3.42Å; Y163-H172 PolarHBondContact OH-ND1 3.04Å; Y163-H172 PolarHBondContact OH-NE2 2.78Å
164S82.7Confident86.6Confident32 Ų3280.5 Ų80.522%0.22439%0.391CS..SBendtrans-86.9-12.7-17845.50000113.6M146M146-S164 WeakPolarHBondContact O-CB 3.49Å; M146-S164 PolarHBondContact O-OG 3.25Å
165T82.3Confident86.6Confident43 Ų4381.1 Ų81.126%0.26440%0.397SS..SBendtrans-131.8151.1171.481.40000110.9W167 D168 L169T165-W167 VanDerWaalsContact C-N 3.3Å; T165-D168 PolarHBondContact O-N 2.9Å; T165-D168 WeakPolarHBondContact OG1-CB 3.48Å; T165-D168 VanDerWaalsContact OG1-CG 3.26Å; T165-D168 PolarHBondContact OG1-N 3.35Å; T165-D168 PolarHBondContact OG1-OD2 3.29Å; T165-L169 PolarHBondContact O-N 3.44Å; T165-L169 VanDerWaalsContact O-N 3.16Å
166E85.5Confident86.5Confident131 Ų13174.7 Ų74.761%0.61237%0.37SS*.Hα-helixtrans-64.4-36173.4-163.2-165146.400111.9H154 D168 L169 K170H154-E166 PolarHBondContact CD2-N 3.12Å; E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 2.98Å; E166-L169 CarbonylContact O-C 3.58Å; E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 PolarHBondContact O-N 3.36Å; E166-K170 WeakPolarHBondContact O-CB 3.49Å; E166-K170 PolarHBondContact O-N 2.88Å
167W85.8Confident86.2Confident182 Ų18278.2 Ų78.269%0.68941%0.407SS*.Hα-helixtrans-61.5-41.4177.1177.6-100.7000112.2T165 K170 R171T165-W167 VanDerWaalsContact C-N 3.3Å; W167-K170 PolarHBondContact O-N 2.91Å; W167-R171 WeakPolarHBondContact O-CB 3.46Å; W167-R171 PolarHBondContact O-N 3.35Å
168D86Confident86Confident43 Ų4377.8 Ų77.823%0.2339%0.392CS..Hα-helixtrans-67-38.4174.2-71.8-55.1000112.1Y163 T165 E166 R171 H172Y163-D168 HydrophobicContact CD1-CB 4.08Å; Y163-D168 HydrophobicContact CG-CB 4.5Å; T165-D168 PolarHBondContact O-N 2.9Å; T165-D168 WeakPolarHBondContact OG1-CB 3.48Å; T165-D168 VanDerWaalsContact OG1-CG 3.26Å; T165-D168 PolarHBondContact OG1-N 3.35Å; T165-D168 PolarHBondContact OG1-OD2 3.29Å; E166-D168 VanDerWaalsContact C-N 3.34Å; E166-D168 PolarHBondContact O-N 2.98Å; D168-R171 IonicContact OD1-CZ 3.64Å; D168-R171 IonicContact OD1-NE 3.81Å; D168-R171 IonicContact OD1-NH2 2.68Å; D168-R171 PolarHBondContact OD1-NH2 2.9Å; D168-H172 VanDerWaalsContact O-CB 3.26Å; D168-H172 WeakPolarHBondContact O-CB 3.42Å; D168-H172 PolarHBondContact O-N 3.35Å
169L88.4Confident86Confident22 Ų2276.6 Ų76.612%0.11539%0.394CS..Hα-helixtrans-61.7-47.2171.7173.762.5000111.2H154 C156 Y163 T165 E166 H172 I173H154-L169 HydrophobicContact CB-CB 3.87Å; H154-L169 HydrophobicContact CB-CD2 3.73Å; H154-L169 HydrophobicContact CB-CG 4.35Å; C156-L169 HydrophobicContact CB-CD1 3.61Å; Y163-L169 HydrophobicContact CD2-CB 4.26Å; Y163-L169 HydrophobicContact CD2-CD1 3.85Å; Y163-L169 HydrophobicContact CE2-CD1 4.31Å; Y163-L169 HydrophobicContact CG-CB 4.36Å; T165-L169 PolarHBondContact O-N 3.44Å; T165-L169 VanDerWaalsContact O-N 3.16Å; E166-L169 CarbonylContact O-C 3.58Å; E166-L169 WeakPolarHBondContact O-CB 3.41Å; E166-L169 PolarHBondContact O-N 3.36Å; L169-H172 CarbonylContact O-C 3.55Å; L169-H172 WeakPolarHBondContact O-CA 3.13Å; L169-H172 WeakPolarHBondContact O-CB 3.5Å; L169-H172 PolarHBondContact O-N 2.79Å; L169-H172 VanDerWaalsContact O-N 3.12Å; L169-I173 HydrophobicContact CD1-CD1 3.75Å; L169-I173 HydrophobicContact CD1-CG1 3.84Å; L169-I173 HydrophobicContact CD2-CD1 4.16Å; L169-I173 HydrophobicContact CG-CD1 3.68Å; L169-I173 HydrophobicContact CG-CG1 4.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.87Å
170K88.7Confident86.1Confident113 Ų11375 Ų7549%0.49138%0.382SS..Hα-helixtrans-60.7-51.8-178.8-177.7169.9-177.2167.50111.5E166 W167 H172 I173 E174E166-K170 WeakPolarHBondContact O-CB 3.49Å; E166-K170 PolarHBondContact O-N 2.88Å; W167-K170 PolarHBondContact O-N 2.91Å; K170-H172 PolarHBondContact O-N 3.2Å; K170-I173 PolarHBondContact O-N 3.38Å; K170-I173 VanDerWaalsContact O-N 3.12Å; K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.17Å; K170-E174 VanDerWaalsContact O-N 3.13Å
171R88.6Confident86.2Confident144 Ų14473.9 Ų73.954%0.54337%0.373SS..Hα-helixtrans-55.9-36172.9177.9170.462.7144.9-4.6112.1W167 D168W167-R171 WeakPolarHBondContact O-CB 3.46Å; W167-R171 PolarHBondContact O-N 3.35Å; D168-R171 IonicContact OD1-CZ 3.64Å; D168-R171 IonicContact OD1-NE 3.81Å; D168-R171 IonicContact OD1-NH2 2.68Å; D168-R171 PolarHBondContact OD1-NH2 2.9Å
172H88Confident86.5Confident43 Ų4370.4 Ų70.420%0.19935%0.354CS..Hα-helixtrans-72-44.6174.517962.4000112.9C156 C159 Y163 D168 L169 K170 E174 D175 C176C156-H172 VanDerWaalsContact SG-CD2 3.55Å; C159-H172 PolarHBondContact SG-NE2 2.85Å; Y163-H172 HydrophobicContact CE1-CB 4.04Å; Y163-H172 HydrophobicContact CE2-CB 4.15Å; Y163-H172 AromaticContact CE2-CD2 3.49Å; Y163-H172 VanDerWaalsContact CE2-CD2 3.49Å; Y163-H172 WeakPolarHBondContact CE2-CD2 3.41Å; Y163-H172 AromaticContact CE2-CG 3.86Å; Y163-H172 AromaticContact CZ-CD2 3.49Å; Y163-H172 VanDerWaalsContact CZ-CD2 3.49Å; Y163-H172 AromaticContact CZ-CG 3.45Å; Y163-H172 VanDerWaalsContact CZ-CG 3.45Å; Y163-H172 PolarHBondContact OH-CD2 3.49Å; Y163-H172 PolarHBondContact OH-CE1 3.42Å; Y163-H172 PolarHBondContact OH-ND1 3.04Å; Y163-H172 PolarHBondContact OH-NE2 2.78Å; D168-H172 VanDerWaalsContact O-CB 3.26Å; D168-H172 WeakPolarHBondContact O-CB 3.42Å; D168-H172 PolarHBondContact O-N 3.35Å; L169-H172 CarbonylContact O-C 3.55Å; L169-H172 WeakPolarHBondContact O-CA 3.13Å; L169-H172 WeakPolarHBondContact O-CB 3.5Å; L169-H172 PolarHBondContact O-N 2.79Å; L169-H172 VanDerWaalsContact O-N 3.12Å; K170-H172 PolarHBondContact O-N 3.2Å; H172-E174 PolarHBondContact O-N 3.17Å; H172-D175 CarbonylContact O-C 3.6Å; H172-D175 PolarHBondContact O-N 3.26Å; H172-D175 VanDerWaalsContact O-N 3.11Å; H172-C176 WeakPolarHBondContact NE2-CB 3.34Å; H172-C176 PolarHBondContact NE2-SG 3.24Å; H172-C176 WeakPolarHBondContact O-CA 3.41Å; H172-C176 WeakPolarHBondContact O-CB 3.49Å; H172-C176 PolarHBondContact O-N 3.06Å
173I88.3Confident86.5Confident64 Ų6473.9 Ų73.933%0.32837%0.373SS..Hα-helixtrans-57.7-36.9179.8-73.5168.8000111.4K158 L169 K170 D175K158-I173 PolarHBondContact NZ-O 3.12Å; L169-I173 HydrophobicContact CD1-CD1 3.75Å; L169-I173 HydrophobicContact CD1-CG1 3.84Å; L169-I173 HydrophobicContact CD2-CD1 4.16Å; L169-I173 HydrophobicContact CG-CD1 3.68Å; L169-I173 HydrophobicContact CG-CG1 4.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.87Å; K170-I173 PolarHBondContact O-N 3.38Å; K170-I173 VanDerWaalsContact O-N 3.12Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å
174E87.4Confident86.7Confident114 Ų11474 Ų7453%0.53338%0.381SS..Hα-helixtrans-59.4-38.7176.8-74.4172-16400112.9K170 H172 K178K170-E174 WeakPolarHBondContact O-CG 3.45Å; K170-E174 PolarHBondContact O-N 3.17Å; K170-E174 VanDerWaalsContact O-N 3.13Å; H172-E174 PolarHBondContact O-N 3.17Å; E174-K178 WeakPolarHBondContact O-CE 3.18Å; E174-K178 PolarHBondContact O-NZ 2.83Å
175D83Confident86.9Confident76 Ų7675.1 Ų75.141%0.40640%0.397SS..Hα-helixtrans-101.7-14.4179.1-82.1-20.9000114.4H172 I173 K178 Y180H172-D175 CarbonylContact O-C 3.6Å; H172-D175 PolarHBondContact O-N 3.26Å; H172-D175 VanDerWaalsContact O-N 3.11Å; I173-D175 VanDerWaalsContact C-N 3.34Å; I173-D175 PolarHBondContact O-N 3.46Å; D175-K178 WeakPolarHBondContact O-CB 3.39Å; D175-K178 PolarHBondContact O-N 2.87Å; D175-K178 IonicContact OD1-NZ 2.7Å; D175-K178 PolarHBondContact OD1-NZ 2.87Å; D175-Y180 PolarHBondContact OD1-OH 2.94Å; D175-Y180 VanDerWaalsContact OD1-OH 3.11Å
176C88.3Confident87.2Confident15 Ų1575.3 Ų75.310%0.10140%0.4CS..THydrogen-bonded Turntrans-69.1133.7-177.9-171.70000111.5K158 H172 K178K158-C176 HydrophobicContact CB-CB 4.48Å; K158-C176 VanDerWaalsContact CB-SG 3.54Å; K158-C176 HydrophobicContact CD-CB 3.86Å; K158-C176 VanDerWaalsContact CD-O 3.25Å; K158-C176 WeakPolarHBondContact CD-O 3.05Å; K158-C176 PolarHBondContact NZ-O 2.94Å; H172-C176 WeakPolarHBondContact NE2-CB 3.34Å; H172-C176 PolarHBondContact NE2-SG 3.24Å; H172-C176 WeakPolarHBondContact O-CA 3.41Å; H172-C176 WeakPolarHBondContact O-CB 3.49Å; H172-C176 PolarHBondContact O-N 3.06Å; C176-K178 VanDerWaalsContact C-N 3.27Å; C176-K178 PolarHBondContact O-N 2.76Å
177G83.9Confident87.4Confident74 Ų7473.2 Ų73.276%0.76340%0.397SS*.THydrogen-bonded Turntrans79.90.6-17700000114.6T179G177-T179 PolarHBondContact O-N 2.78Å
178K85.3Confident87.5Confident96 Ų9666.8 Ų66.842%0.41737%0.373SS..  trans-75.4119.7166.6-67.9179.2-174.5155.50109.6E174 D175 C176 Y180E174-K178 WeakPolarHBondContact O-CE 3.18Å; E174-K178 PolarHBondContact O-NZ 2.83Å; D175-K178 WeakPolarHBondContact O-CB 3.39Å; D175-K178 PolarHBondContact O-N 2.87Å; D175-K178 IonicContact OD1-NZ 2.7Å; D175-K178 PolarHBondContact OD1-NZ 2.87Å; C176-K178 VanDerWaalsContact C-N 3.27Å; C176-K178 PolarHBondContact O-N 2.76Å; K178-Y180 HydrophobicContact CB-CD2 4.23Å; K178-Y180 HydrophobicContact CB-CE2 3.57Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; K178-Y180 VanDerWaalsContact O-CD2 3.29Å; K178-Y180 WeakPolarHBondContact O-CD2 3.23Å; K178-Y180 WeakPolarHBondContact O-CE2 3.4Å
179T86.1Confident87.5Confident94 Ų9469.5 Ų69.558%0.57740%0.402SS*.  trans-78.2135.9159.641.70000109G177G177-T179 PolarHBondContact O-N 2.78Å
180Y86.4Confident87.4Confident11 Ų1170.4 Ų70.44%0.04341%0.41CS..EExtended strand (participates in β ladder)trans-115.6103.5-179.7-69-89.7000108.1D175 K178 Y188 S190 R191 H209D175-Y180 PolarHBondContact OD1-OH 2.94Å; D175-Y180 VanDerWaalsContact OD1-OH 3.11Å; K178-Y180 HydrophobicContact CB-CD2 4.23Å; K178-Y180 HydrophobicContact CB-CE2 3.57Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; K178-Y180 VanDerWaalsContact O-CD2 3.29Å; K178-Y180 WeakPolarHBondContact O-CD2 3.23Å; K178-Y180 WeakPolarHBondContact O-CE2 3.4Å; Y180-Y188 PolarHBondContact N-O 3.3Å; Y180-Y188 WeakPolarHBondContact O-CB 3.43Å; Y180-Y188 WeakPolarHBondContact O-CD2 3.39Å; Y180-Y188 PolarHBondContact O-N 3.31Å; Y180-S190 VanDerWaalsContact CD2-C 3.44Å; Y180-R191 HydrophobicContact CD1-CB 4.02Å; Y180-R191 HydrophobicContact CD1-CG 4.19Å; Y180-R191 HydrophobicContact CD2-CB 4.43Å; Y180-R191 VanDerWaalsContact CD2-N 3.31Å; Y180-R191 HydrophobicContact CE1-CB 3.68Å; Y180-R191 HydrophobicContact CE1-CG 3.93Å; Y180-R191 HydrophobicContact CE2-CB 4.11Å; Y180-R191 HydrophobicContact CG-CB 4.37Å; Y180-H209 AromaticContact CD1-CE1 3.79Å; Y180-H209 AromaticContact CD1-CG 3.93Å; Y180-H209 AromaticContact CD1-ND1 3.74Å; Y180-H209 AromaticContact CD1-NE2 3.98Å
181E87.8Confident87.3Confident109 Ų10969 Ų6951%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-86.6149.4-178.1-71177.5-162.300111P187 L194 P206 H209E181-P187 HydrophobicContact CG-CB 4.04Å; E181-L194 WeakPolarHBondContact O-CD2 3.29Å; E181-P206 WeakPolarHBondContact O-CG 3.34Å; E181-H209 PolarHBondContact N-NE2 2.91Å
182C91.3Very high87.3Confident7 Ų764 Ų645%0.04739%0.39CS..  trans-97.3160.6171-169.10000110.7C184 G185 C186 Y188 L194 H197C182-C184 PolarHBondContact O-N 2.75Å; C182-G185 PolarHBondContact O-N 3.46Å; C182-C186 PolarHBondContact N-O 3.11Å; C182-Y188 HydrophobicContact CB-CE2 4.02Å; C182-L194 HydrophobicContact CB-CD1 3.52Å; C182-H197 PolarHBondContact SG-CD2 3.49Å
183T87.4Confident87.4Confident89 Ų8963.1 Ų63.155%0.54639%0.391SS..THydrogen-bonded Turntrans-58.6-15.8172.248.50000114E204 P206T183-E204 WeakPolarHBondContact CG2-O 3.4Å; T183-E204 PolarHBondContact OG1-O 3.3Å; T183-P206 HydrophobicContact CG2-CG 4.16Å
184C89.5Confident87.5Confident53 Ų5360.1 Ų60.136%0.35838%0.376SS..THydrogen-bonded Turntrans-88.610.2170.2710000114.8C182 C186 H203C182-C184 PolarHBondContact O-N 2.75Å; C184-C186 VanDerWaalsContact C-N 3.29Å; C184-C186 PolarHBondContact O-N 3.3Å; C184-H203 VanDerWaalsContact CB-CE1 3.43Å; C184-H203 WeakPolarHBondContact CB-CE1 3.24Å
185G87.6Confident87.6Confident54 Ų5457.4 Ų57.456%0.55736%0.364SS*.SBendtrans75.17.1178.300000115.7C182 P187C182-G185 PolarHBondContact O-N 3.46Å; G185-P187 WeakPolarHBondContact O-CD 3.43Å
186C87.8Confident88.1Confident48 Ų4855.7 Ų55.732%0.32436%0.358SS..  trans-83.4123.3176.4-62.60000111C182 C184 Y188C182-C186 PolarHBondContact N-O 3.11Å; C184-C186 VanDerWaalsContact C-N 3.29Å; C184-C186 PolarHBondContact O-N 3.3Å; C186-Y188 HydrophobicContact CB-CE2 3.69Å; C186-Y188 WeakPolarHBondContact CB-OH 3.34Å; C186-Y188 WeakPolarHBondContact O-CD2 3.45Å; C186-Y188 VanDerWaalsContact O-CE2 3.24Å; C186-Y188 WeakPolarHBondContact O-CE2 3.46Å
187P89.7Confident88.2Confident87 Ų8757.4 Ų57.457%0.56537%0.365SS*.EExtended strand (participates in β ladder)trans-85.1137.6175.432.9-33.7000112.1E181 G185E181-P187 HydrophobicContact CG-CB 4.04Å; G185-P187 WeakPolarHBondContact O-CD 3.43Å
188Y88.9Confident88.6Confident47 Ų4754.7 Ų54.718%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-121.1134.6177.1-63.2-83000111.5Y180 C182 C186 S190 A193 L194 H197Y180-Y188 PolarHBondContact N-O 3.3Å; Y180-Y188 WeakPolarHBondContact O-CB 3.43Å; Y180-Y188 WeakPolarHBondContact O-CD2 3.39Å; Y180-Y188 PolarHBondContact O-N 3.31Å; C182-Y188 HydrophobicContact CB-CE2 4.02Å; C186-Y188 HydrophobicContact CB-CE2 3.69Å; C186-Y188 WeakPolarHBondContact CB-OH 3.34Å; C186-Y188 WeakPolarHBondContact O-CD2 3.45Å; C186-Y188 VanDerWaalsContact O-CE2 3.24Å; C186-Y188 WeakPolarHBondContact O-CE2 3.46Å; Y188-S190 PolarHBondContact O-N 3.35Å; Y188-S190 VanDerWaalsContact O-N 3.15Å; Y188-A193 HydrophobicContact CD1-CB 3.99Å; Y188-A193 HydrophobicContact CG-CB 4.41Å; Y188-L194 HydrophobicContact CD2-CB 4.04Å; Y188-L194 HydrophobicContact CD2-CD1 3.78Å; Y188-L194 HydrophobicContact CE2-CD1 4.12Å; Y188-L194 HydrophobicContact CG-CB 4.23Å; Y188-H197 HydrophobicContact CE1-CB 4.09Å; Y188-H197 HydrophobicContact CE2-CB 4.17Å; Y188-H197 AromaticContact CE2-CD2 3.91Å; Y188-H197 AromaticContact CE2-CG 3.97Å; Y188-H197 AromaticContact CZ-CD2 4Å; Y188-H197 AromaticContact CZ-CG 3.61Å; Y188-H197 AromaticContact CZ-ND1 3.94Å; Y188-H197 PolarHBondContact OH-CE1 3.29Å; Y188-H197 VanDerWaalsContact OH-CE1 3.24Å; Y188-H197 PolarHBondContact OH-ND1 3.17Å; Y188-H197 VanDerWaalsContact OH-ND1 3.08Å
189A85.4Confident88.8Confident100 Ų10060 Ų6083%0.82635%0.352SS*.SBendtrans-73.82.9178.400000114.5
190S86.6Confident89.1Confident41 Ų4165.6 Ų65.629%0.28736%0.362SS..SBendtrans-157149.9173.470.70000112.7Y180 Y188 A192 A193 L194Y180-S190 VanDerWaalsContact CD2-C 3.44Å; Y188-S190 PolarHBondContact O-N 3.35Å; Y188-S190 VanDerWaalsContact O-N 3.15Å; S190-A192 VanDerWaalsContact C-N 3.25Å; S190-A192 PolarHBondContact O-N 3.17Å; S190-A193 PolarHBondContact O-N 3.19Å; S190-A193 VanDerWaalsContact O-N 3.16Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 3.11Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.12Å
191R86.1Confident89.3Confident83 Ų8367.8 Ų67.831%0.31338%0.377SS..Hα-helixtrans-57.6-36.8175.1-165174.2-177.3-107.9-5.2112.8Y180 L194 L195 H209Y180-R191 HydrophobicContact CD1-CB 4.02Å; Y180-R191 HydrophobicContact CD1-CG 4.19Å; Y180-R191 HydrophobicContact CD2-CB 4.43Å; Y180-R191 VanDerWaalsContact CD2-N 3.31Å; Y180-R191 HydrophobicContact CE1-CB 3.68Å; Y180-R191 HydrophobicContact CE1-CG 3.93Å; Y180-R191 HydrophobicContact CE2-CB 4.11Å; Y180-R191 HydrophobicContact CG-CB 4.37Å; R191-L194 PolarHBondContact O-N 2.85Å; R191-L195 HydrophobicContact CG-CD1 4.13Å; R191-L195 HydrophobicContact CG-CG 4.48Å; R191-L195 WeakPolarHBondContact O-CB 3.42Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.16Å; R191-L195 PolarHBondContact O-N 3.31Å; R191-H209 PolarHBondContact NE-O 2.83Å; R191-H209 PolarHBondContact NH2-O 2.93Å
192A88.3Confident89.3Confident38 Ų3865.9 Ų65.931%0.31439%0.386SS..Hα-helixtrans-65.8-38.2178.100000112.5S190 S196S190-A192 VanDerWaalsContact C-N 3.25Å; S190-A192 PolarHBondContact O-N 3.17Å; A192-S196 WeakPolarHBondContact O-CB 3.42Å; A192-S196 PolarHBondContact O-N 3.2Å; A192-S196 PolarHBondContact O-OG 3.05Å
193A89.5Confident89.1Confident26 Ų2668.4 Ų68.422%0.21540%0.397CS..Hα-helixtrans-68.3-43.7174.500000111.5Y188 S190 S196 H197Y188-A193 HydrophobicContact CD1-CB 3.99Å; Y188-A193 HydrophobicContact CG-CB 4.41Å; S190-A193 PolarHBondContact O-N 3.19Å; S190-A193 VanDerWaalsContact O-N 3.16Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 3.11Å; A193-S196 PolarHBondContact O-N 3.44Å; A193-H197 PolarHBondContact O-N 2.92Å
194L91Very high88.7Confident1 Ų170.2 Ų70.21%0.00540%0.399CS..Hα-helixtrans-58.3-49.3174.217362.6000111.6E181 C182 Y188 S190 R191 S196 H197 I198 H209E181-L194 WeakPolarHBondContact O-CD2 3.29Å; C182-L194 HydrophobicContact CB-CD1 3.52Å; Y188-L194 HydrophobicContact CD2-CB 4.04Å; Y188-L194 HydrophobicContact CD2-CD1 3.78Å; Y188-L194 HydrophobicContact CE2-CD1 4.12Å; Y188-L194 HydrophobicContact CG-CB 4.23Å; S190-L194 PolarHBondContact O-N 2.85Å; S190-L194 VanDerWaalsContact O-N 3.12Å; R191-L194 PolarHBondContact O-N 2.85Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.44Å; L194-H197 PolarHBondContact O-N 2.89Å; L194-I198 HydrophobicContact CD1-CD1 3.69Å; L194-I198 HydrophobicContact CD1-CG1 4.15Å; L194-I198 HydrophobicContact CD2-CD1 4.33Å; L194-I198 HydrophobicContact CG-CD1 3.73Å; L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.34Å; L194-H209 HydrophobicContact CD2-CB 4.18Å; L194-H209 VanDerWaalsContact CD2-CD2 3.4Å; L194-H209 WeakPolarHBondContact CD2-CD2 3.46Å
195L89.8Confident88.1Confident56 Ų5670.1 Ų70.129%0.29340%0.395SS..Hα-helixtrans-62-38.7177.9-71.6170000112.2R191 I198 Y199 I205R191-L195 HydrophobicContact CG-CD1 4.13Å; R191-L195 HydrophobicContact CG-CG 4.48Å; R191-L195 WeakPolarHBondContact O-CB 3.42Å; R191-L195 VanDerWaalsContact O-CG 3.28Å; R191-L195 WeakPolarHBondContact O-CG 3.16Å; R191-L195 PolarHBondContact O-N 3.31Å; L195-I198 PolarHBondContact O-N 3.31Å; L195-Y199 WeakPolarHBondContact O-CB 3.47Å; L195-Y199 PolarHBondContact O-N 2.96Å; L195-I205 HydrophobicContact CD2-CD1 4.37Å
196S92.7Very high87.5Confident40 Ų4068.8 Ų68.828%0.2838%0.376SS..Hα-helixtrans-67.4-34.6176.3-590000112.7A192 A193 L194 R200A192-S196 WeakPolarHBondContact O-CB 3.42Å; A192-S196 PolarHBondContact O-N 3.2Å; A192-S196 PolarHBondContact O-OG 3.05Å; A193-S196 PolarHBondContact O-N 3.44Å; L194-S196 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 3.44Å; S196-R200 WeakPolarHBondContact O-CD 3.48Å; S196-R200 VanDerWaalsContact O-CG 3.24Å; S196-R200 WeakPolarHBondContact O-CG 3.23Å; S196-R200 PolarHBondContact O-N 2.91Å
197H91.3Very high86.5Confident52 Ų5271.8 Ų71.824%0.24139%0.393CS..Hα-helixtrans-67.3-53.8172.3163.680.9000110.6C182 Y188 A193 L194 Y199 R200 T201 H203C182-H197 PolarHBondContact SG-CD2 3.49Å; Y188-H197 HydrophobicContact CE1-CB 4.09Å; Y188-H197 HydrophobicContact CE2-CB 4.17Å; Y188-H197 AromaticContact CE2-CD2 3.91Å; Y188-H197 AromaticContact CE2-CG 3.97Å; Y188-H197 AromaticContact CZ-CD2 4Å; Y188-H197 AromaticContact CZ-CG 3.61Å; Y188-H197 AromaticContact CZ-ND1 3.94Å; Y188-H197 PolarHBondContact OH-CE1 3.29Å; Y188-H197 VanDerWaalsContact OH-CE1 3.24Å; Y188-H197 PolarHBondContact OH-ND1 3.17Å; Y188-H197 VanDerWaalsContact OH-ND1 3.08Å; A193-H197 PolarHBondContact O-N 2.92Å; L194-H197 PolarHBondContact O-N 2.89Å; H197-Y199 VanDerWaalsContact C-N 3.3Å; H197-Y199 PolarHBondContact O-N 3.43Å; H197-R200 CarbonylContact O-C 3.59Å; H197-R200 WeakPolarHBondContact O-CA 3.31Å; H197-R200 PolarHBondContact O-N 2.85Å; H197-T201 WeakPolarHBondContact NE2-CG2 3.46Å; H197-T201 PolarHBondContact O-N 3.22Å; H197-T201 PolarHBondContact O-OG1 3.35Å; H197-T201 VanDerWaalsContact O-OG1 3.11Å; H197-H203 AromaticContact NE2-CE1 3.55Å; H197-H203 AromaticContact NE2-ND1 3.7Å
198I91.3Very high85.3Confident16 Ų1675.8 Ų75.88%0.08241%0.405CS..Hα-helixtrans-50.5-48.1177.2-80.7164.1000111.8L194 L195 R200 T201 G202 H203 I205L194-I198 HydrophobicContact CD1-CD1 3.69Å; L194-I198 HydrophobicContact CD1-CG1 4.15Å; L194-I198 HydrophobicContact CD2-CD1 4.33Å; L194-I198 HydrophobicContact CG-CD1 3.73Å; L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.34Å; L195-I198 PolarHBondContact O-N 3.31Å; I198-R200 PolarHBondContact O-N 3.37Å; I198-T201 PolarHBondContact O-N 3.46Å; I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 2.75Å; I198-H203 HydrophobicContact CG1-CB 4.35Å; I198-H203 VanDerWaalsContact CG2-O 3.23Å; I198-H203 WeakPolarHBondContact CG2-O 3.4Å; I198-I205 HydrophobicContact CD1-CB 4.24Å; I198-I205 HydrophobicContact CD1-CG1 4.03Å; I198-I205 HydrophobicContact CD1-CG2 4.33Å; I198-I205 HydrophobicContact CG2-CG1 3.97Å
199Y90.4Very high84.1Confident208 Ų20875 Ų7582%0.81640%0.403SS*.Hα-helixtrans-62.2-30.4179-176.5-95.2000113.1L195 H197L195-Y199 WeakPolarHBondContact O-CB 3.47Å; L195-Y199 PolarHBondContact O-N 2.96Å; H197-Y199 VanDerWaalsContact C-N 3.3Å; H197-Y199 PolarHBondContact O-N 3.43Å
200R92.8Very high83.2Confident212 Ų21275.7 Ų75.780%0.838%0.384SS*.Hα-helixtrans-86.9-26.9179.6-70.3173.4-177.4-165.21.2113.7S196 H197 I198S196-R200 WeakPolarHBondContact O-CD 3.48Å; S196-R200 VanDerWaalsContact O-CG 3.24Å; S196-R200 WeakPolarHBondContact O-CG 3.23Å; S196-R200 PolarHBondContact O-N 2.91Å; H197-R200 CarbonylContact O-C 3.59Å; H197-R200 WeakPolarHBondContact O-CA 3.31Å; H197-R200 PolarHBondContact O-N 2.85Å; I198-R200 PolarHBondContact O-N 3.37Å
201T90.1Very high81.8Confident57 Ų5778.1 Ų78.135%0.3540%0.397SS..Hα-helixtrans-105.2-12.9-177.259.10000114.4H197 I198 H203H197-T201 WeakPolarHBondContact NE2-CG2 3.46Å; H197-T201 PolarHBondContact O-N 3.22Å; H197-T201 PolarHBondContact O-OG1 3.35Å; H197-T201 VanDerWaalsContact O-OG1 3.11Å; I198-T201 PolarHBondContact O-N 3.46Å; T201-H203 PolarHBondContact O-N 3.16Å; T201-H203 PolarHBondContact OG1-CE1 3.37Å; T201-H203 PolarHBondContact OG1-ND1 3.41Å
202G88Confident79.8Confident69 Ų6978.9 Ų78.971%0.71141%0.413SS*.  trans72.910.9-175.200000114.2I198I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 2.75Å
203H86.2Confident77.5Confident60 Ų6082.8 Ų82.828%0.27844%0.435SS..PPolyproline II helixtrans-65.8142.8177.7-66.2163000111.7C184 H197 I198 T201C184-H203 VanDerWaalsContact CB-CE1 3.43Å; C184-H203 WeakPolarHBondContact CB-CE1 3.24Å; H197-H203 AromaticContact NE2-CE1 3.55Å; H197-H203 AromaticContact NE2-ND1 3.7Å; I198-H203 HydrophobicContact CG1-CB 4.35Å; I198-H203 VanDerWaalsContact CG2-O 3.23Å; I198-H203 WeakPolarHBondContact CG2-O 3.4Å; T201-H203 PolarHBondContact O-N 3.16Å; T201-H203 PolarHBondContact OG1-CE1 3.37Å; T201-H203 PolarHBondContact OG1-ND1 3.41Å
204E79.3Confident75.4Confident126 Ų12687.6 Ų87.659%0.58946%0.461SS*.PPolyproline II helixtrans-64.7141.9174.8-79.8-145.1-141.100112.8T183 P206 R210T183-E204 WeakPolarHBondContact CG2-O 3.4Å; T183-E204 PolarHBondContact OG1-O 3.3Å; E204-P206 WeakPolarHBondContact O-CD 3.47Å; E204-R210 IonicContact OE2-CZ 3.5Å; E204-R210 IonicContact OE2-NH1 3.16Å; E204-R210 PolarHBondContact OE2-NH1 3.15Å; E204-R210 VanDerWaalsContact OE2-NH1 3.16Å; E204-R210 IonicContact OE2-NH2 2.83Å; E204-R210 PolarHBondContact OE2-NH2 3.22Å
205I77.6Confident73.4Confident51 Ų5197 Ų9726%0.26250%0.502SS..PPolyproline II helixtrans-69.4120.1172.4-49.5167.8000108.7L195 I198 T207 H209 R210L195-I205 HydrophobicContact CD2-CD1 4.37Å; I198-I205 HydrophobicContact CD1-CB 4.24Å; I198-I205 HydrophobicContact CD1-CG1 4.03Å; I198-I205 HydrophobicContact CD1-CG2 4.33Å; I198-I205 HydrophobicContact CG2-CG1 3.97Å; I205-T207 PolarHBondContact O-N 2.98Å; I205-H209 HydrophobicContact CG2-CB 4.43Å; I205-R210 HydrophobicContact CB-CG 3.82Å; I205-R210 HydrophobicContact CG2-CG 3.66Å; I205-R210 PolarHBondContact O-NE 3.34Å; I205-R210 PolarHBondContact O-NH1 3.34Å
206P75.3Confident71.2Confident26 Ų26104.2 Ų104.217%0.16953%0.531CS..PPolyproline II helixtrans-53.6140174.6-27.136.1000111.6E181 T183 E204 E208 H209 R210E181-P206 WeakPolarHBondContact O-CG 3.34Å; T183-P206 HydrophobicContact CG2-CG 4.16Å; E204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-E208 PolarHBondContact O-N 3.33Å; P206-H209 PolarHBondContact O-N 3.47Å; P206-R210 PolarHBondContact O-N 3.06Å
207T65.9Low69Low111 Ų111113.7 Ų113.768%0.68156%0.56SS**THydrogen-bonded Turntrans-56.3-35-17839.30000112.4I205 H209 R210I205-T207 PolarHBondContact O-N 2.98Å; T207-H209 PolarHBondContact O-N 2.83Å; T207-R210 PolarHBondContact O-N 3.28Å
208E64.7Low66.8Low172 Ų172121.3 Ų121.380%0.80459%0.593SS**THydrogen-bonded Turntrans-66.1-20.4175.5-59.4-179.7-168.300114P206P206-E208 PolarHBondContact O-N 3.33Å
209H63.9Low64.5Low31 Ų31129.5 Ų129.514%0.14463%0.633CS.*THydrogen-bonded Turntrans-108.9-7.7179.9-60.2-26.5000113.2Y180 E181 R191 L194 I205 P206 T207 V211Y180-H209 AromaticContact CD1-CE1 3.79Å; Y180-H209 AromaticContact CD1-CG 3.93Å; Y180-H209 AromaticContact CD1-ND1 3.74Å; Y180-H209 AromaticContact CD1-NE2 3.98Å; E181-H209 PolarHBondContact N-NE2 2.91Å; R191-H209 PolarHBondContact NE-O 2.83Å; R191-H209 PolarHBondContact NH2-O 2.93Å; L194-H209 HydrophobicContact CD2-CB 4.18Å; L194-H209 VanDerWaalsContact CD2-CD2 3.4Å; L194-H209 WeakPolarHBondContact CD2-CD2 3.46Å; I205-H209 HydrophobicContact CG2-CB 4.43Å; P206-H209 PolarHBondContact O-N 3.47Å; T207-H209 PolarHBondContact O-N 2.83Å; H209-V211 PolarHBondContact O-N 2.78Å
210R65.9Low62Low113 Ų113129.1 Ų129.143%0.42664%0.639SS.*  trans-7373.7164.9-73.7178.4161.9129.8-15.3110.1E204 I205 P206 T207 P212E204-R210 IonicContact OE2-CZ 3.5Å; E204-R210 IonicContact OE2-NH1 3.16Å; E204-R210 PolarHBondContact OE2-NH1 3.15Å; E204-R210 VanDerWaalsContact OE2-NH1 3.16Å; E204-R210 IonicContact OE2-NH2 2.83Å; E204-R210 PolarHBondContact OE2-NH2 3.22Å; I205-R210 HydrophobicContact CB-CG 3.82Å; I205-R210 HydrophobicContact CG2-CG 3.66Å; I205-R210 PolarHBondContact O-NE 3.34Å; I205-R210 PolarHBondContact O-NH1 3.34Å; P206-R210 PolarHBondContact O-N 3.06Å; T207-R210 PolarHBondContact O-N 3.28Å; R210-P212 WeakPolarHBondContact O-CD 3.41Å
211V57.5Low59.3Low92 Ų92128.6 Ų128.656%0.55864%0.642SS**PPolyproline II helixtrans-49.4121.9167.8177.60000109H209H209-V211 PolarHBondContact O-N 2.78Å
212P44.8Very low56.8Low100 Ų100134 Ų13465%0.64967%0.668SS**PPolyproline II helixtrans-60.1140.2-178.5-25.734.8000111.9R210 V214R210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-V214 PolarHBondContact O-N 2.98Å
213P39.1Very low54.4Low120 Ų120139.1 Ų139.178%0.77968%0.678SS**PPolyproline II helixtrans-60.4127.7175.325.1-33.2000109.9K215P213-K215 VanDerWaalsContact C-N 3.28Å; P213-K215 PolarHBondContact O-N 3.47Å
214V46.9Very low51.8Low127 Ų127141.7 Ų141.777%0.7770%0.703SS**SBendtrans-74.974.3-164.9-169.80000111.9P212P212-V214 PolarHBondContact O-N 2.98Å
215K48Very low49.7Very low197 Ų197142.4 Ų142.486%0.85772%0.716SS**  trans-131.124.4177.4-73-165175.5-176.80114.3P213P213-K215 VanDerWaalsContact C-N 3.28Å; P213-K215 PolarHBondContact O-N 3.47Å
216K43.7Very low47.6Very low208 Ų208145.6 Ų145.690%0.90474%0.743SS**  trans-134.696.4164.2-70.5-168.3178-1760111.2
217R46.2Very low45.3Very low239 Ų239154 Ų15490%0.90278%0.78SS**  trans-110.2152.6156.6-89.3-176.9169.4156.1-2.3108
218K46.3Very low43.7Very low212 Ų212158.1 Ų158.192%0.92279%0.788SS**SBendtrans77.467.4172.8-158.9-176.8-176.7-178.80116.8
219M42.3Very low42.1Very low189 Ų189156 Ų15693%0.93179%0.787SS**SBend-173.271129.9-176.1167.7160.300111.1
220E38.3Very low40.3Very low199 Ų199164.4 Ų164.493%0.9382%0.823SS**  trans-159.983.1164.4-154.1172.8161.100110.9
221K34.6Very low38.5Very low201 Ų201165.3 Ų165.387%0.87484%0.84SS**  trans-158.936171-150.5-165177-169.80113.4
222L38.8Very low37.1Very low171 Ų171169.5 Ų169.590%0.89585%0.854SS**SBendtrans-136.913.6-176.6-75.2178.3000114.9
223L37.3Very low36.3Very low176 Ų176170.7 Ų170.792%0.92186%0.855SS**SBendtrans-140.674.1176.5-72.3177.7000112
224S32.6Very low35.9Very low115 Ų115171.3 Ų171.380%0.80485%0.851SS**  trans-161.836.2168.853.20000114.4
225V35.1Very low34.9Very low141 Ų141170.8 Ų170.886%0.85585%0.848SS**  trans-128.967.2170.6-170.20000110.9
226S32.8Very low33.9Very low118 Ų118167.2 Ų167.283%0.82584%0.842SS**  trans175.9108.6148.4-82.80000110.3
227E27.2Very low33Very low202 Ų202166.5 Ų166.594%0.94484%0.842SS**  -165.1146.4119.3-109.2-177158.100110.3
228K31.6Very low32Very low198 Ų198160.7 Ų160.786%0.86183%0.834SS**  trans-118.2124.3177-104.1-170.7177-179.80109.6
229V30.2Very low31.1Very low127 Ų127156.4 Ų156.477%0.7783%0.825SS**  trans54.7107143.6-174.40000116.8
230K26.5Very low30.8Very low208 Ų208153 Ų15390%0.90482%0.818SS**  -149.2146.9117.5-120.7171.6-175.8177.10112.7
231V28.7Very low30.3Very low131 Ų131148.2 Ų148.279%0.79481%0.812SS**  trans-103.1135.5177.4174.50000108.5
232H28.9Very low30.1Very low180 Ų180142.7 Ų142.783%0.83380%0.803SS**  trans-144.3158.5143.1-153.9-84.8000110.1
233D26.7Very low29.9Very low126 Ų126144.5 Ų144.567%0.67480%0.804SS**  trans-117.1179.8-168-163-0.8000111.3
234L30.8Very low29.3Very low133 Ų133139.8 Ų139.870%0.69680%0.798SS**  trans94.1100169.7-81.269.8000120.4
235T25.7Very low29.3Very low116 Ų116138.3 Ų138.371%0.71279%0.793SS**  66.6102.1107.1-52.40000122
236V27.9Very low28.8Very low122 Ų122137.7 Ų137.774%0.73979%0.789SS**  37.7120.1125.1-173.70000120.3
237Q25.5Very low28.5Very low192 Ų192139.9 Ų139.990%0.89779%0.786SS**  -162.8177.5125.1-116.6172.785.100116.5
238T24.3Very low28.4Very low118 Ų118135.7 Ų135.772%0.72478%0.775SS**  trans-98.7172.1-147.2-47.90000115.5
239T26.8Very low28.1Very low121 Ų121130.9 Ų130.974%0.74277%0.772SS**  trans-59.8175.4167.649.60000113.2
240P37.6Very low28Very low119 Ų119132.7 Ų132.777%0.77378%0.777SS**  cis-156.4173.534.945.1-21.9000123
241A26.9Very low28.6Very low98 Ų98128.9 Ų128.981%0.8177%0.773SS**  trans-2.2153.8152.800000124.4
242A30.4Very low28.7Very low84 Ų84127.4 Ų127.469%0.69477%0.768SS**  -177.1134.4117.400000115.7
243K33.7Very low28.7Very low210 Ų210125 Ų12591%0.91376%0.761SS**  trans52.5146.5143.1-56.1169.7-174.5177.30119.1
244G26.5Very low28.7Very low77 Ų77124 Ų12479%0.79477%0.765SS**  cis114.5146.320.200000110
245A30.6Very low28.6Very low84 Ų84121.6 Ų121.669%0.69476%0.764SS**  cis-169.6176.7-6.700000109.7
246T26.7Very low28.7Very low127 Ų127121.6 Ų121.678%0.77976%0.763SS**  trans64155.5158.553.20000118.6
247E25.6Very low28.6Very low164 Ų164125.6 Ų125.677%0.76677%0.767SS**  cis-161.6165.4-7.8-122.4-174.6-136.400114.5
248T24.6Very low28.8Very low115 Ų115122.9 Ų122.971%0.70676%0.757SS**  trans43.3121.7140.5-50.50000123.4
249A25.3Very low28.9Very low96 Ų96124.7 Ų124.779%0.79376%0.761SS**  173.5152.2120.200000115.2
250L29.5Very low29Very low166 Ų166126.9 Ų126.987%0.86976%0.763SS**  trans-122165167.9-83.4167.8000109.9
251P37.6Very low28.8Very low127 Ų127126.7 Ų126.783%0.82576%0.762SS**  -145.4178.2118.237.3-21.6000115.8
252S30.5Very low28.8Very low100 Ų100127.1 Ų127.170%0.69976%0.755SS**  trans-90.7-167.4178.357.10000112.3
253D29.2Very low28.6Very low129 Ų129128.7 Ų128.769%0.6975%0.751SS**  cis-169.8167.825.5-143.6-64000113.8
254S28.2Very low28.5Very low107 Ų107126.4 Ų126.475%0.74874%0.744SS**  trans64157.9149.4-74.90000121.5
255A28.7Very low28.4Very low82 Ų82128 Ų12868%0.67874%0.743SS**  cis-166.5123.4-14.100000115.4
256V27.4Very low28.2Very low115 Ų115128 Ų12870%0.69774%0.743SS**  trans50.4150.5136.1-141.50000125
257Y26.2Very low28.1Very low206 Ų206129 Ų12981%0.80874%0.743SS**  trans90.7147.4154.1-62.2-46.1000119.2
258I28Very low29Very low136 Ų136125.6 Ų125.670%0.69774%0.735SS**  cis-159.8152.9-5.4-124.8166.1000115.7
259L26.3Very low29.2Very low155 Ų155127 Ų12781%0.81273%0.734SS**  trans49.4142159.7-9669.1000126.2
260E29Very low29.6Very low168 Ų168131.4 Ų131.479%0.78574%0.735SS**  trans-82.5176.4152-56.9179.4116.700112.6
261P35Very low29.6Very low114 Ų114127.2 Ų127.274%0.7473%0.732SS**  -136.9120.7126.635.1-22.6000116
262T25.3Very low29.3Very low108 Ų108129.7 Ų129.766%0.66374%0.737SS**  20.9140.8124.3240000119.6
263N27.8Very low29.7Very low116 Ų116133.4 Ų133.462%0.6274%0.744SS**  -172.8148.954.1-118-33.7000114.1
264Q31Very low30Very low162 Ų162137.2 Ų137.276%0.75775%0.754SS**  trans46.7136.1141.9-68.3170.362.500120.2
265S24.3Very low30.5Very low110 Ų110139.6 Ų139.677%0.76976%0.758SS**  cis-159.3179.521.3-137.40000109.5
266A26Very low31Very low84 Ų84143.8 Ų143.869%0.69477%0.768SS**  cis-149.4-141.516.300000113
267N25.4Very low31.4Very low149 Ų149146.4 Ų146.480%0.79778%0.777SS**  trans-162.5-176.9179.8-117-54.1000106.7
268P44.2Very low32.2Very low92 Ų92142 Ų14260%0.59777%0.774SS**  cis-129.9-173.315.433.5-8.4000113.3
269H28.6Very low32.9Very low146 Ų146144.8 Ų144.868%0.67678%0.781SS**  cis-154.2148.730-95-58.2000114.8
270K34Very low33.3Very low187 Ų187143.6 Ų143.681%0.81378%0.783SS**  trans54.697.7141.3-61.5171.5-177.5175.20118.7
271G28.6Very low33.7Very low79 Ų79145.2 Ų145.281%0.81479%0.787SS**  trans-93.1173.3154.800000113.1
272L32.7Very low34Very low178 Ų178149 Ų14993%0.93280%0.797SS**  trans-135.9136.6164.7-103.2171.1000109.7
273Q37.9Very low34.4Very low178 Ų178148.1 Ų148.183%0.83280%0.801SS**  trans-79.3137.6-174.7-63.4168.7-10.300111
274K34.6Very low34.7Very low210 Ų210151.2 Ų151.291%0.91382%0.816SS**  trans-88.5115.1165.1-82.1-171.5174.4-179.70109.7
275L38.9Very low34.7Very low157 Ų157149.3 Ų149.382%0.82282%0.815SS**PPolyproline II helixtrans-68.2146.8179.8-68.5158.4000111.4
276L40Very low35.2Very low170 Ų170149.6 Ų149.689%0.8982%0.818SS**PPolyproline II helixtrans-63.9134.8167.8-68.3166.3000109.8
277L36.7Very low35.8Very low169 Ų169151 Ų15189%0.88582%0.817SS**PPolyproline II helixtrans-68.9135.7175.9-72171.2000110.6
278P42.2Very low36.3Very low115 Ų115149.4 Ų149.475%0.74782%0.815SS**PPolyproline II helixtrans-73.8150.4-177.330.2-35.2000112.3
279K41.6Very low35.8Very low193 Ų193151.3 Ų151.384%0.83982%0.824SS**PPolyproline II helixtrans-59.1142.3174-62.3-179.6-179.3-179.60110.8K281K279-K281 PolarHBondContact O-N 3.48Å
280P36.5Very low36Very low131 Ų131152.7 Ų152.785%0.85183%0.833SS**PPolyproline II helixtrans-62.7129.5175.726.6-34.1000110.5
281K36.4Very low36.3Very low202 Ų202153 Ų15388%0.87884%0.838SS**PPolyproline II helixtrans-84.3125.8170.7-67.6179.9178.6178.80108.6K279K279-K281 PolarHBondContact O-N 3.48Å
282M40.4Very low36.6Very low194 Ų194157 Ų15796%0.95684%0.84SS**PPolyproline II helixtrans-66.9132.4168.3-71.8-177.9170.800109.8
283A34.1Very low36.8Very low89 Ų89152.5 Ų152.574%0.73683%0.828SS**PPolyproline II helixtrans-102.2120.2169.100000108.9V285A283-V285 PolarHBondContact O-N 3.44Å
284L35.2Very low37Very low181 Ų181152.7 Ų152.795%0.94883%0.829SS**  trans-76.6105.9171.3-83164.6000109.1
285V30.7Very low36.9Very low121 Ų121150.1 Ų150.173%0.73382%0.824SS**  trans-88.8107.9167.2178.70000108A283 V287A283-V285 PolarHBondContact O-N 3.44Å; V285-V287 HydrophobicContact CG1-CG2 4.43Å; V285-V287 PolarHBondContact O-N 3.45Å; V285-V287 VanDerWaalsContact O-N 3.11Å
286S34.8Very low36.9Very low117 Ų117148.1 Ų148.182%0.81882%0.82SS**  trans-75.295.4175.555.80000110.7
287V39Very low36.6Very low114 Ų114146 Ų14669%0.69181%0.814SS**  trans-76.4133.3166.8-175.80000108.3V285 V289V285-V287 HydrophobicContact CG1-CG2 4.43Å; V285-V287 PolarHBondContact O-N 3.45Å; V285-V287 VanDerWaalsContact O-N 3.11Å; V287-V289 PolarHBondContact O-N 2.84Å
288P34.8Very low36.5Very low115 Ų115144.7 Ų144.775%0.74781%0.807SS**  trans-63.2129.5177.725.6-34.1000110.9M290P288-M290 PolarHBondContact O-N 3.15Å
289V33.2Very low36.5Very low131 Ų131146.4 Ų146.479%0.79481%0.809SS**  trans-72.1109.6179.9177.30000109.4V287V287-V289 PolarHBondContact O-N 2.84Å
290M33.8Very low36.1Very low175 Ų175142.9 Ų142.986%0.86281%0.806SS**PPolyproline II helixtrans-64.2142.6164-76.4175.560.500109.8P288 L292P288-M290 PolarHBondContact O-N 3.15Å; M290-L292 PolarHBondContact O-N 3.41Å
291Q40.6Very low36.1Very low194 Ų194141.8 Ų141.891%0.90780%0.802SS**PPolyproline II helixtrans-60.2130.9-169.3-65.6157.3-70.500112A293Q291-A293 PolarHBondContact O-N 3.12Å
292L35.7Very low36.6Very low163 Ų163138.2 Ų138.285%0.85380%0.797SS**PPolyproline II helixtrans-67.7122.8171.7-72.7168.2000109.6M290M290-L292 PolarHBondContact O-N 3.41Å
293A36.8Very low36.8Very low83 Ų83138 Ų13869%0.68679%0.793SS**PPolyproline II helixtrans-68.6144.8172.200000110.9Q291 L295Q291-A293 PolarHBondContact O-N 3.12Å; A293-L295 PolarHBondContact O-N 3.25Å
294H40.3Very low37.5Very low183 Ų183138.3 Ų138.385%0.84781%0.806SS**PPolyproline II helixtrans-65.2116.1-179.6-57.6-88.8000111.4
295L34.2Very low38.4Very low155 Ų155132.4 Ų132.481%0.81279%0.789SS**PPolyproline II helixtrans-87121.9167.6-94.687.4000110.7A293A293-L295 PolarHBondContact O-N 3.25Å
296P37.7Very low39.2Very low115 Ų115132.7 Ų132.775%0.74779%0.793SS**PPolyproline II helixtrans-79.5118.3169.431.1-31.5000110.6
297V34.8Very low39.6Very low126 Ų126134.6 Ų134.676%0.76479%0.793SS**PPolyproline II helixtrans-89.5120.4170.3179.20000109
298L35.1Very low39.9Very low141 Ų141137.6 Ų137.674%0.73879%0.792SS**PPolyproline II helixtrans-98.4120.8173.8-67.8173.8000110
299L40.8Very low40Very low151 Ų151137.4 Ų137.479%0.79179%0.794SS**PPolyproline II helixtrans-103.6131170.4-79164000109.5S301L299-S301 PolarHBondContact O-N 3.16Å
300P33.2Very low40.6Very low120 Ų120135.5 Ų135.578%0.77978%0.782SS**PPolyproline II helixtrans-75.512117530.1-32.2000110.2
301S37.3Very low41.1Very low107 Ų107132.3 Ų132.375%0.74877%0.772SS**PPolyproline II helixtrans-75.8135.4165.4-170.40000109.5L299L299-S301 PolarHBondContact O-N 3.16Å
302T46.1Very low41.2Very low128 Ų128128 Ų12879%0.78576%0.755SS**SBendtrans-62.2148.2159.646.60000109.7
303E44.8Very low41.5Very low188 Ų188123 Ų12388%0.87974%0.737SS**SBendtrans65.294.8-178.4-55-156.6136.200117.8G305E303-G305 VanDerWaalsContact C-N 3.33Å; E303-G305 PolarHBondContact O-N 3.3Å
304G48.6Very low42Very low97 Ų97123.5 Ų123.5100%173%0.731SS**SBend71.7-4123.900000121
305G53.9Low42.2Very low57 Ų57118.3 Ų118.359%0.58871%0.71SS**PPolyproline II helixtrans-101.5152.1-176.800000115.5E303E303-G305 VanDerWaalsContact C-N 3.33Å; E303-G305 PolarHBondContact O-N 3.3Å
306P47.3Very low42.7Very low127 Ų127119.5 Ų119.583%0.82572%0.717SS**PPolyproline II helixtrans-69139.5171.929.4-34.2000111.5R308P306-R308 PolarHBondContact O-N 2.93Å
307L43.4Very low43.2Very low156 Ų156122.7 Ų122.782%0.81772%0.722SS**PPolyproline II helixtrans-58.5128.4-171.5-63.1169.3000112.8
308R45Very low43.8Very low177 Ų177119.3 Ų119.367%0.66871%0.712SS**PPolyproline II helixtrans-100.8119.5167-72.1-73.6-172.81362.8109P306P306-R308 PolarHBondContact O-N 2.93Å
309S38.6Very low44.1Very low112 Ų112115.8 Ų115.878%0.78370%0.7SS**PPolyproline II helixtrans-74.7136166.445.50000110.2
310V44.8Very low44.1Very low91 Ų91112.7 Ų112.755%0.55269%0.687SS**  trans-129126.8173.8178.50000107.3T322V310-T322 HydrophobicContact CG1-CG2 3.57Å
311V43.7Very low44.5Very low108 Ų108110.3 Ų110.366%0.65567%0.673SS**EExtended strand (participates in β ladder)trans-99.4116.3175-178.10000107.9
312L42.8Very low44.7Very low104 Ų104109.6 Ų109.655%0.54566%0.664SS.*EExtended strand (participates in β ladder)trans-93.6121.9173.5-68.8166.6000108.6V320 T322L312-V320 HydrophobicContact CD2-CG1 3.97Å; L312-T322 HydrophobicContact CD2-CG2 4.19Å; L312-T322 WeakPolarHBondContact CD2-OG1 3.43Å
313A43.3Very low44.5Very low57 Ų57110.1 Ų110.147%0.47166%0.662SS.*EExtended strand (participates in β ladder)trans-98.1134169.100000108.9S321A313-S321 PolarHBondContact N-O 3.25Å; A313-S321 VanDerWaalsContact N-O 3.1Å; A313-S321 PolarHBondContact O-N 2.94Å
314V45.8Very low44.1Very low93 Ų93109.6 Ų109.656%0.56466%0.659SS**EExtended strand (participates in β ladder)trans-119.7129.7173.9-170.40000107.6S319 V320V314-S319 WeakPolarHBondContact CA-O 3.24Å; V314-V320 HydrophobicContact CG1-CG2 4.4Å; V314-V320 HydrophobicContact CG2-CG1 4.4Å; V314-V320 HydrophobicContact CG2-CG2 4.13Å
315D44.9Very low43.5Very low74 Ų74112.9 Ų112.940%0.39665%0.653SS.*  trans-86.2170.4177.380.7-7000112.4Q317 G318 S319D315-Q317 PolarHBondContact O-N 3.25Å; D315-Q317 VanDerWaalsContact OD1-C 3.31Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; D315-Q317 PolarHBondContact OD1-N 3.44Å; D315-G318 PolarHBondContact O-N 2.62Å; D315-G318 PolarHBondContact OD1-N 3.49Å; D315-S319 PolarHBondContact N-O 3.32Å; D315-S319 VanDerWaalsContact N-O 3.15Å; D315-S319 WeakPolarHBondContact OD1-CB 3.39Å; D315-S319 PolarHBondContact OD1-N 3.48Å
316N45.2Very low42.4Very low181 Ų181116.7 Ų116.797%0.96866%0.659SS**THydrogen-bonded Turntrans-68.86.2178-73.9-1.3000113.9
317Q48.1Very low41.8Very low181 Ų181115.6 Ų115.685%0.84665%0.652SS**THydrogen-bonded Turntrans-114.66172.3-63.2-176.9108.500112.3D315D315-Q317 PolarHBondContact O-N 3.25Å; D315-Q317 VanDerWaalsContact OD1-C 3.31Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.43Å; D315-Q317 PolarHBondContact OD1-N 3.44Å
318G47.8Very low41.3Very low55 Ų55116.7 Ų116.757%0.56765%0.653SS**  trans81.512.1175.800000114.8D315D315-G318 PolarHBondContact O-N 2.62Å; D315-G318 PolarHBondContact OD1-N 3.49Å
319S40.4Very low40.6Very low67 Ų67114.3 Ų114.347%0.46966%0.658SS.*  trans-79.9129.2174.8-1680000110.5V314 D315V314-S319 WeakPolarHBondContact CA-O 3.24Å; D315-S319 PolarHBondContact N-O 3.32Å; D315-S319 VanDerWaalsContact N-O 3.15Å; D315-S319 WeakPolarHBondContact OD1-CB 3.39Å; D315-S319 PolarHBondContact OD1-N 3.48Å
320V42Very low40.8Very low87 Ų87115.3 Ų115.353%0.52766%0.662SS.*EExtended strand (participates in β ladder)trans-103.2120.6-177.5-173.40000109.4L312 V314L312-V320 HydrophobicContact CD2-CG1 3.97Å; V314-V320 HydrophobicContact CG1-CG2 4.4Å; V314-V320 HydrophobicContact CG2-CG1 4.4Å; V314-V320 HydrophobicContact CG2-CG2 4.13Å
321S40.4Very low40.1Very low70 Ų70114.7 Ų114.749%0.4967%0.674SS.*EExtended strand (participates in β ladder)trans-120.6133.7178.9-70.80000111.9A313A313-S321 PolarHBondContact N-O 3.25Å; A313-S321 VanDerWaalsContact N-O 3.1Å; A313-S321 PolarHBondContact O-N 2.94Å
322T41.2Very low39.5Very low91 Ų91114 Ų11456%0.55868%0.68SS**EExtended strand (participates in β ladder)trans-105.7118.2-176.2-48.60000110V310 L312V310-T322 HydrophobicContact CG1-CG2 3.57Å; L312-T322 HydrophobicContact CD2-CG2 4.19Å; L312-T322 WeakPolarHBondContact CD2-OG1 3.43Å
323L41.7Very low38.8Very low139 Ų139115.9 Ų115.973%0.72870%0.695SS**EExtended strand (participates in β ladder)trans-105131.5173.3-78.2170.2000110.8
324Q36.4Very low38.1Very low177 Ų177120.7 Ų120.783%0.82771%0.712SS**  trans-117.5105.5-172.3-168.9175.615.600110.1
325L36.6Very low38Very low166 Ų166121.3 Ų121.387%0.86972%0.718SS**  trans-90.3138.1175.9-72.1166.8000110.7
326L31.6Very low37Very low138 Ų138125.4 Ų125.472%0.72374%0.735SS**  trans-115.7125.2-177.4-171.269.7000110.6
327P34Very low36.1Very low103 Ų103123.4 Ų123.467%0.66972%0.724SS**PPolyproline II helixtrans-74.1141.6176.3-1530.2000112.7
328Q33.7Very low35.1Very low179 Ų179120.6 Ų120.684%0.83671%0.714SS**PPolyproline II helixtrans-88.7142167.6-73.2-73.4-9.600110.5
329T30.6Very low34.2Very low128 Ų128123.9 Ų123.979%0.78572%0.723SS**PPolyproline II helixtrans-100.4135.9-174.550.30000112.8
330P42.4Very low33.7Very low133 Ų133128.7 Ų128.786%0.86474%0.735SS**PPolyproline II helixtrans-90134.6-179.633.6-33.1000114.2
331G30.5Very low33Very low78 Ų78129.5 Ų129.580%0.80475%0.745SS**  trans118.5115.314700000117.9
332A30.5Very low32.5Very low93 Ų93133.7 Ų133.777%0.76976%0.761SS**  trans-172.5144.4131.200000113.2
333V28.3Very low31.6Very low144 Ų144133 Ų13387%0.87377%0.765SS**  trans70.7137.5159.9-141.30000121.2
334L28Very low30.8Very low157 Ų157135.6 Ų135.682%0.82277%0.771SS**  trans-79.8-175.9168.2-109.771.2000111.9
335P43.5Very low30.4Very low107 Ų107134.9 Ų134.970%0.69577%0.765SS**  cis-123.4-140530.3-4.2000111.3
336Q23.6Very low29.8Very low159 Ų159134.3 Ų134.374%0.74376%0.763SS**  cis-163.1170.95.1-146-173.7-4.500112.5
337L26.9Very low29.5Very low140 Ų140136.5 Ų136.573%0.73376%0.763SS**  trans6798155.3-78.5161.5000121.1
338D26.2Very low29.3Very low122 Ų122139.1 Ų139.165%0.65277%0.768SS**  trans-55.9147.3145.8151.760.1000112.9K340D338-K340 PolarHBondContact OD1-N 2.9Å
339V29.8Very low29.8Very low123 Ų123135.8 Ų135.875%0.74576%0.761SS**  trans-152104.6133.5171.50000111.6
340K30Very low29.5Very low168 Ų168135.2 Ų135.273%0.7376%0.763SS**  trans50.5119.7134.5-57.6177.6-176.6171.50123.3D338D338-K340 PolarHBondContact OD1-N 2.9Å
341S27.3Very low28.8Very low104 Ų104133 Ų13373%0.72775%0.751SS**  65.7112.7116.3-171.20000123.1
342L28.8Very low28.7Very low159 Ų159140 Ų14083%0.83275%0.753SS**  178.4131.7118.8-109.989.1000105.9
343A23.9Very low28.5Very low77 Ų77140.5 Ų140.564%0.63675%0.751SS**  cis86.2111.947.500000114.7
344F24.1Very low28.5Very low193 Ų193138.7 Ų138.785%0.84674%0.744SS**  trans56.999.5158.4-78.6-99.8000121.2
345K28.9Very low28.6Very low162 Ų162139.9 Ų139.970%0.70475%0.745SS**  29.2120.1109.1179.8-168.7176-174.30117.6
346D24.2Very low27.9Very low154 Ų154138 Ų13882%0.82475%0.745SS**  trans-155.5179.9135.3-122.1-29.3000114.9
347Y25.1Very low29.3Very low184 Ų184136.4 Ų136.472%0.72275%0.749SS**  trans-102.8130.9-156.5-106.2-120.5000117.7
348M28.2Very low29.4Very low158 Ų158138.6 Ų138.678%0.77876%0.759SS**  trans62.5-173.9132.6-67.5-66.2-178.300119.3
349P45.8Very low29.6Very low108 Ų108137.1 Ų137.170%0.70176%0.759SS**  -133.7160.2-6538.6-25.1000115.7
350S24.1Very low29.9Very low116 Ų116138 Ų13881%0.81177%0.765SS**  trans179.3156.9154.3-94.90000112.5
351S26Very low29.8Very low88 Ų88133.1 Ų133.162%0.61576%0.762SS**  cis-170.1148.8-14.4-104.90000110.7
352R29.3Very low30.1Very low225 Ų225134.4 Ų134.485%0.84977%0.765SS**  trans66.2125.6153.8-67.9169.1-169.7-111.3-0.2117.2
353S26.5Very low30.3Very low103 Ų103135 Ų13572%0.7276%0.764SS**  64.8137.467.4830000113.6
354S27.8Very low30.7Very low106 Ų106136.6 Ų136.674%0.74177%0.765SS**  cis-163.8-173.319.555.80000112.9
355Q30.3Very low30.6Very low181 Ų181132.9 Ų132.985%0.84676%0.763SS**  trans-43.4161.5156.9-89.477-0.200114
356G29.1Very low31.1Very low67 Ų67131.4 Ų131.469%0.69176%0.762SS**  cis-171-135.417.100000117.5
357P52.6Low31.2Very low127 Ų127130.9 Ų130.983%0.82576%0.76SS**  trans-99.3170.5-144.439.6-40.8000117.9
358I29.3Very low32.9Very low185 Ų185127.6 Ų127.695%0.94976%0.761SS**  trans-167.1172.2153.5-102.2150.9000111.9
359S30Very low32.9Very low92 Ų92124.1 Ų124.164%0.64376%0.757SS**  trans-125.2159.1-153.7177.90000117.4
360T36.2Very low32.1Very low141 Ų141124.1 Ų124.187%0.86576%0.76SS**  trans73.6134.4146.430.70000125.4
361G27.9Very low32.5Very low66 Ų66124 Ų12468%0.6876%0.755SS**  trans150.6135.2165.200000112.6
362V33.1Very low32.6Very low130 Ų130126.7 Ų126.779%0.78876%0.762SS**  cis851337.1-166.40000114
363Q33.2Very low32.6Very low173 Ų173122.9 Ų122.981%0.80876%0.758SS**  cis-151.3130.724.7-155.4148.1-13.500111.9
364V32.4Very low32.8Very low110 Ų110122.7 Ų122.767%0.66776%0.757SS**  76.6127.981179.40000119.9L366V364-L366 HydrophobicContact CG1-CD1 4.25Å; V364-L366 HydrophobicContact CG1-CG 4.16Å
365S23.2Very low32.8Very low115 Ų115122.7 Ų122.780%0.80476%0.763SS**  trans175.7155.7136.7-76.80000113.1
366L37.8Very low32.6Very low130 Ų130117.8 Ų117.868%0.68176%0.762SS**  cis-174.8123.9-45.5-112.4168.1000111.6V364V364-L366 HydrophobicContact CG1-CD1 4.25Å; V364-L366 HydrophobicContact CG1-CG 4.16Å
367D27.3Very low32.4Very low143 Ų143118 Ų11877%0.76576%0.764SS**  trans50.5168.3145.3-78.82.8000124.3
368P60Low31.3Very low115 Ų115118.8 Ų118.875%0.74777%0.766SS**  cis-144.2-175.9-42.741.7-24.5000116.5
369A30Very low31.2Very low85 Ų85115 Ų11570%0.70276%0.762SS**  trans97.2126.414300000124.1
370S28.9Very low31Very low108 Ų108113.9 Ų113.976%0.75577%0.765SS**  trans58145.9144.453.70000121.4
371T31.3Very low30.7Very low115 Ų115114.8 Ų114.871%0.70676%0.76SS**  cis-161.1157.10.17.90000111.2
372D28.9Very low30.8Very low144 Ų144122.6 Ų122.677%0.7777%0.769SS**  trans53.1130.1144.7-54.7-15.2000125.6
373D28.6Very low30.6Very low144 Ų144119.8 Ų119.877%0.7777%0.766SS**  trans79.5121.7135.1-101.7-31.4000127
374S30.2Very low30.6Very low99 Ų99123.1 Ų123.169%0.69277%0.771SS**  46.8118.9126.7-68.10000124.9
375A28.5Very low30.5Very low106 Ų106122.4 Ų122.488%0.87677%0.771SS**  67.5132.7122.400000123.1
376G25.4Very low30.8Very low79 Ų79122.5 Ų122.581%0.81477%0.767SS**  trans113.7162.7144.700000117.7
377G26.5Very low30.6Very low71 Ų71121.5 Ų121.573%0.73277%0.771SS**  trans82.6111.2178.900000113.2
378V27.8Very low31.2Very low144 Ų144120.2 Ų120.287%0.87377%0.768SS**  cis70.8107.732.7-169.60000114.1
379A28.4Very low29.8Very low105 Ų105121.7 Ų121.787%0.86877%0.77SS**  trans60.9151.1172.700000116.6
380G26.3Very low29.9Very low69 Ų69123.7 Ų123.771%0.71177%0.768SS**  cis134.8143.5-4.500000112.8
381Q29.4Very low30.3Very low159 Ų159126.5 Ų126.574%0.74377%0.769SS**  trans70.4133.3172.4-73-74-28.600118.8
382R29.7Very low30.4Very low231 Ų231128.2 Ų128.287%0.87278%0.779SS**  trans69.3142.7162.9-63.8169.9-88.3-119.32117.3
383G27.8Very low30.8Very low71 Ų71128.2 Ų128.273%0.73278%0.779SS**  cis152.5172.6-14.800000115.5
384R33.9Very low30.8Very low242 Ų242131.6 Ų131.691%0.91378%0.781SS**  trans68.3152.2164.7-92.7-174.2171-154.8-2.8119.8
385S29.7Very low31Very low96 Ų96130.7 Ų130.767%0.67178%0.775SS**  trans68.1106.4151.5-69.60000118.5
386T29.8Very low31.4Very low116 Ų116135.4 Ų135.471%0.71277%0.772SS**  93.4109.555.956.50000114.7
387S33.4Very low31.8Very low109 Ų109139 Ų13976%0.76277%0.771SS**  trans58.9160.1136.468.30000120.1
388T41.4Very low32.1Very low116 Ų116140.5 Ų140.571%0.71277%0.77SS**  cis-149152.821.345.70000112
389N29.3Very low32.1Very low146 Ų146142.7 Ų142.778%0.78177%0.768SS**  trans163154147.5-90.3-10.9000112.1
390I33Very low32.5Very low128 Ų128145.6 Ų145.666%0.65677%0.766SS**  cis-148.9134.8-15.4-135.4167.2000112.9
391Q36.3Very low33.9Very low166 Ų166147.3 Ų147.378%0.77676%0.764SS**  trans29.8122.2135.5-162.717615.900123.6
392T35Very low35.2Very low151 Ų151144.8 Ų144.893%0.92676%0.762SS**  trans-158.3178.4134-2.80000110.4
393D36Very low35.2Very low145 Ų145140.6 Ų140.678%0.77576%0.762SS**  trans-138.5167.4-141.5-172.125.1000116.3
394R29.9Very low35.6Very low215 Ų215142 Ų14281%0.81177%0.767SS**  trans80.3149.6169.8-53.8167.460.1119.2-0.3118.6
395S34Very low35.4Very low80 Ų80134.1 Ų134.156%0.55976%0.76SS**  cis-175.5146-28.858.50000113.3
396Y36Very low35.5Very low205 Ų205137.8 Ų137.880%0.80477%0.772SS**  trans88.7130.1148.6-80.2-61.1000125.5
397L33.7Very low35.5Very low155 Ų155135.5 Ų135.581%0.81277%0.772SS**  trans69150.5149.4-63.3168.9000119.3
398S32.2Very low35.6Very low101 Ų101138.5 Ų138.571%0.70678%0.777SS**  cis-173.3156.5-23.5-157.60000106.4
399K29.3Very low35Very low190 Ų190136 Ų13683%0.82678%0.775SS**  cis-170.4127.138.9-167.5176.2-177.3179.10112.9
400M36.3Very low35.3Very low167 Ų167137.5 Ų137.582%0.82378%0.782SS**  trans-8.4169139.7-77.1-77.4-157.600120.6
401P55.8Low35.1Very low105 Ų105137.3 Ų137.368%0.68279%0.791SS**  cis-131-132.2-13.334.4-9.9000109.5
402P56.7Low34.9Very low106 Ų106134.3 Ų134.369%0.68879%0.788SS**  cis-137.4-179.2-26.637.3-16.5000117.3
403V30.5Very low34.8Very low143 Ų143133.2 Ų133.287%0.86778%0.781SS**  trans76.1125.7158.9-162.30000121.2
404A34.5Very low35Very low101 Ų101131.3 Ų131.384%0.83578%0.779SS**  trans-75.6172.1-179.800000116.8
405G31.6Very low34.9Very low75 Ų75129.7 Ų129.777%0.77378%0.78SS**  trans-176.5128164.500000111
406D31.2Very low34.8Very low174 Ų174130.4 Ų130.493%0.9379%0.786SS**  trans-73.7152.2-174.1-66.2-72000114.7
407G29Very low35Very low68 Ų68126 Ų12670%0.70178%0.784SS**  101.8137.9129.200000119.6
408I35.2Very low34.9Very low172 Ų172125.3 Ų125.388%0.88279%0.786SS**  trans6497.2151.1-48.3177.7000117.6
409G30.4Very low35Very low64 Ų64125.6 Ų125.666%0.6679%0.789SS**  34.2124.9127.100000122.7
410L35.4Very low35.2Very low177 Ų177121.5 Ų121.593%0.92778%0.784SS**  trans6571.2146.6-64.3168.8000118.1
411C27.2Very low35.2Very low124 Ų124119.9 Ų119.984%0.83879%0.787SS**  trans-92.1154149.2-59.40000109.5
412S32.3Very low34.6Very low103 Ų103120.8 Ų120.872%0.7280%0.796SS**  cis-174.5126.8-16.845.60000105.3
413V33.8Very low33.6Very low128 Ų128122.7 Ų122.778%0.77680%0.796SS**  cis80.2104.930.8-172.20000113.9
414S39.3Very low34.1Very low105 Ų105122.6 Ų122.673%0.73480%0.796SS**  trans69.8163159.8-56.70000117.2
415E28.3Very low34Very low180 Ų180123.3 Ų123.384%0.84179%0.786SS**  cis-138.6-170.218.8-35.1-157.996.400116.6
416S31.3Very low34.2Very low96 Ų96127.6 Ų127.667%0.67179%0.789SS**  trans-38.8149.9171.741.60000117.2
417S41.3Very low34.4Very low111 Ų111124.5 Ų124.578%0.77678%0.781SS**  cis75.490.944.2-56.90000116.6
418V30.4Very low34.5Very low141 Ų141127.7 Ų127.786%0.85579%0.787SS**  trans-173146.4130.1-102.30000114.1
419S34.6Very low34.4Very low108 Ų108124.9 Ų124.976%0.75578%0.782SS**  trans66.4159.8150.173.80000119.9
420S35.1Very low34.6Very low103 Ų103126.9 Ų126.972%0.7279%0.792SS**  cis-169.7154.5-27.8-93.40000110.4
421C35.5Very low34.4Very low133 Ų133127.6 Ų127.690%0.89979%0.791SS**  trans67.3155.2167.7-57.90000116.7
422S42.5Very low35.1Very low124 Ų124128.1 Ų128.187%0.86779%0.79SS**  cis-136.91763.757.90000112.9
423Q35.4Very low35Very low147 Ų147131 Ų13169%0.68780%0.797SS**  trans-115.7147.7-165.9162.2-173.1-11.200112.6D425Q423-D425 PolarHBondContact NE2-OD1 3.22Å; Q423-D425 PolarHBondContact NE2-OD2 3.42Å
424T41.5Very low35.3Very low141 Ų141132.3 Ų132.387%0.86580%0.798SS**  trans-145.3127.3152.751.80000111.4
425D33.6Very low35.4Very low116 Ų116133.4 Ų133.462%0.6280%0.803SS**  trans-83.2152.1-177.8-53.9-103.8000113.9Q423Q423-D425 PolarHBondContact NE2-OD1 3.22Å; Q423-D425 PolarHBondContact NE2-OD2 3.42Å
426I35.2Very low35.7Very low165 Ų165131.1 Ų131.185%0.84680%0.801SS**  trans-138.9121143-50.8179.2000108.2
427S33.9Very low35.6Very low108 Ų108132.2 Ų132.276%0.75581%0.809SS**  trans-103.4142.1168.5-70.70000110.7
428V32.7Very low35.3Very low136 Ų136132.8 Ų132.882%0.82481%0.807SS**  trans-134.5104.6163-176.50000108.9
429S32.3Very low35.3Very low112 Ų112134.9 Ų134.978%0.78381%0.808SS**  trans-83.2138.3164.447.10000109.6
430A34.3Very low35.1Very low106 Ų106134.8 Ų134.888%0.87680%0.803SS**  trans-116.496.5172.300000108.7
431Q32Very low34.8Very low193 Ų193138 Ų13890%0.90281%0.806SS**  trans-131.9142.8175.5-159.8153.320.500110.7
432V42.1Very low34.4Very low134 Ų134137.8 Ų137.881%0.81280%0.801SS**  trans-80.4136.7-166.2175.90000111.5
433L30.7Very low34Very low165 Ų165141.5 Ų141.586%0.86480%0.802SS**  trans-167.9157.4139.5-106161000112.6
434L39Very low33.8Very low154 Ų154140.7 Ų140.781%0.80681%0.807SS**  trans-86.9162.7176-66164.1000111.1
435P41.3Very low33.1Very low128 Ų128139.2 Ų139.283%0.83180%0.802SS**  trans-126.3153.4139.336.4-28.4000113.3
436V33.9Very low33Very low132 Ų132144.9 Ų144.980%0.882%0.815SS**  trans-104.8142.7173.7173.40000109.2
437S30.1Very low32.9Very low120 Ų120141.3 Ų141.384%0.83981%0.81SS**  trans-149.5153.515460.10000110.8
438V34.5Very low32.9Very low122 Ų122145.9 Ų145.974%0.73982%0.816SS**  trans-133.4128.8-176.8175.10000106.9
439E30.7Very low32.9Very low186 Ų186143.1 Ų143.187%0.86981%0.807SS**  trans-167179138.2-113.4-179.3148.500114.3
440T29.8Very low32.9Very low106 Ų106144.2 Ų144.265%0.6581%0.81SS**  trans-99.4-175.7-150.456.10000114.7
441Q30.3Very low32.7Very low170 Ų170144.6 Ų144.679%0.79481%0.806SS**  trans79.9142.8168.9-54179.93600115.4
442T27.1Very low33.1Very low128 Ų128140.3 Ų140.379%0.78580%0.797SS**  cis-153.3155.8-6.340000109.9
443F34Very low33Very low202 Ų202140.5 Ų140.589%0.88680%0.798SS**  trans-94.1162.3169.2-111.5-76.3000112.2
444V31.6Very low33.3Very low130 Ų130136 Ų13679%0.78879%0.792SS**  trans123.9142.5149.2178.20000115.8
445S26.3Very low33.1Very low110 Ų110132.7 Ų132.777%0.76979%0.787SS**  trans89.1140.716790.50000116.5
446R30.9Very low33Very low236 Ų236135 Ų13589%0.89179%0.787SS**  cis-161.7157.3-4.8-149.6177.8-179174.91.3112.5
447A34.3Very low33.2Very low90 Ų90134 Ų13474%0.74478%0.78SS**  trans68153163.600000116.3
448K32.8Very low33.4Very low204 Ų204134.7 Ų134.789%0.88778%0.775SS**  cis-160.8167.1-0.6-124.1-178-178.5-177.20106.5
449A32.9Very low33.5Very low77 Ų77132.9 Ų132.964%0.63677%0.768SS**  cis-159.2-168.90.200000111
450T32.5Very low33.6Very low136 Ų136132.6 Ų132.683%0.83477%0.766SS**  trans-7.9139.8156.351.20000119.5
451S30.4Very low33.8Very low113 Ų113132.9 Ų132.979%0.7977%0.771SS**  cis-138.7168.740.8-158.70000116.9
452S39.7Very low33.8Very low104 Ų104131.8 Ų131.873%0.72777%0.77SS**  trans-63.3173.5-17755.40000115.8
453V41Very low34Very low137 Ų137130.1 Ų130.183%0.8376%0.764SS**  cis-135.7145.219.5177.70000106.9
454G35.3Very low34.1Very low72 Ų72128.6 Ų128.674%0.74276%0.759SS**  cis115.2138.237.200000107.6
455A36.1Very low34.1Very low83 Ų83129 Ų12969%0.68676%0.756SS**  cis-146.4165.71500000112.8
456Q39.3Very low34Very low178 Ų178130.1 Ų130.183%0.83276%0.758SS**  trans36.1144.8134.9-63.8-178.4-64.400120.7
457T36.9Very low33.9Very low109 Ų109123.8 Ų123.867%0.66975%0.75SS**  cis-176.2161.4-4.629.20000105.9
458D35.1Very low34.6Very low136 Ų136125.1 Ų125.173%0.72775%0.751SS**  cis-158.1179.11-134.9-42.3000110.7
459S36.4Very low34.4Very low84 Ų84121.4 Ų121.459%0.58775%0.75SS**  trans26.5146.3150.266.80000123
460Q33.9Very low34.5Very low179 Ų179122.9 Ų122.984%0.83676%0.755SS**  cis-164.1129.1-4.2-103.8158.436.200105.9
461C32.5Very low34.3Very low112 Ų112121.4 Ų121.476%0.75775%0.751SS**  63.211489.9-162.40000116.1
462L30.6Very low34.2Very low148 Ų148122.7 Ų122.778%0.77575%0.753SS**  167.6132.9106.6-164.573.2000113.7
463S32.2Very low33.9Very low93 Ų93125.3 Ų125.365%0.6576%0.758SS**  trans58.6155.8154.258.30000121.7
464Q35.7Very low34.3Very low169 Ų169123.4 Ų123.479%0.7975%0.749SS**  cis-162.3155.3-21-105.7173.23.600109.3
465I30.5Very low33.9Very low140 Ų140130.9 Ų130.972%0.71876%0.756SS**  trans20.1122.4144-35.2167.6000116.6
466T24.4Very low33.6Very low133 Ų133135.6 Ų135.682%0.81676%0.761SS**  -171.816268.8-38.30000112.6
467S29.4Very low33.2Very low103 Ų103133 Ų13372%0.7276%0.758SS**  trans-72.5-177.2165.4-300000113.1
468P48.8Very low33Very low118 Ų118137.6 Ų137.677%0.76677%0.768SS**  cis-136.6168.8-6.141.3-23.7000117.2
469C29.8Very low33.1Very low126 Ų126136.7 Ų136.785%0.85176%0.76SS**  trans39127.4147.5-145.70000124.1
470S33.5Very low32.7Very low108 Ų108139.6 Ų139.676%0.75577%0.774SS**  trans74.7111.7148.1-160.80000120.8
471S28.8Very low32.7Very low105 Ų105136 Ų13673%0.73476%0.757SS**  176.2141.3112.559.90000114.5
472V27.9Very low32.4Very low140 Ų140137.4 Ų137.485%0.84876%0.763SS**  trans72.7148151.9177.20000120.6
473L33.3Very low32.3Very low158 Ų158138.6 Ų138.683%0.82776%0.758SS**  trans-73.5-176.7177.5-91.172.2000113.5
474P49Very low32.2Very low98 Ų98142.7 Ų142.764%0.63676%0.764SS**  cis-128.2-175.8-3.539.1-22.6000114.1
475Y27.6Very low31.8Very low229 Ų229138.8 Ų138.890%0.89876%0.761SS**  -176173118.5-114.2-87.9000112
476K29.1Very low32Very low181 Ų181140.9 Ų140.979%0.78777%0.77SS**  trans-136.3155.3-170.9-160.3179.6-173-179.50112.1
477T31.6Very low32.8Very low124 Ų124140.7 Ų140.776%0.76177%0.771SS**  trans75.3156.5177.580.70000114.7
478K33.4Very low32.9Very low205 Ų205144.8 Ų144.889%0.89178%0.779SS**  cis-147.3178.918.3-146.1157-172.7176.20113.2
479Q36Very low32.3Very low117 Ų117146.2 Ų146.255%0.54778%0.78SS.*  trans-115.8152.8-166175.7-16841.800112.4Q481Q479-Q481 HydrophobicContact CG-CG 4.18Å
480T29.4Very low32.2Very low146 Ų146148.5 Ų148.590%0.89678%0.778SS**  trans-140.9153.7156.5-42.20000109.9
481Q33.5Very low31.8Very low103 Ų103150.3 Ų150.348%0.48177%0.774SS.*  trans-133.8162.4-168.2-55.8174.3-100113.3Q479Q479-Q481 HydrophobicContact CG-CG 4.18Å
482T26.4Very low31.8Very low141 Ų141153.1 Ų153.187%0.86577%0.773SS**  trans-154.2102.5146.812.70000107.7
483Y27.7Very low31.8Very low173 Ų173150.5 Ų150.568%0.67877%0.767SS**  60.2110.784-95.6-110.4000114.5
484F30.6Very low31.6Very low179 Ų179150.7 Ų150.779%0.78576%0.763SS**  80.8151.268.4-86.7-70.8000112.5
485A27.6Very low30.6Very low88 Ų88152.2 Ų152.273%0.72777%0.766SS**  cis-150.517914.500000115.3
486M35Very low30.7Very low184 Ų184149.7 Ų149.791%0.90676%0.762SS**  trans-100162.1161.1-72.2-83-131.100110.7
487P40Very low30.8Very low129 Ų129145.5 Ų145.584%0.83876%0.761SS**  trans-117.5167.2167.239.5-29.4000114.5
488Q32.8Very low30.7Very low188 Ų188143.8 Ų143.888%0.87976%0.76SS**  trans-143.7140.9176.1-175.7176.43.700110.3
489L34.9Very low30.6Very low149 Ų149142.4 Ų142.478%0.7876%0.759SS**  trans26.6128.4160.4-154.972.5000121.3
490E26.9Very low30.5Very low173 Ų173142.4 Ų142.481%0.80877%0.771SS**  159.9151.8109.1-161.1149.9-136.500115.7
491E27Very low30.6Very low146 Ų146139.6 Ų139.668%0.68276%0.762SS**  trans23.9136.7171.1-95.6-137.4116.500127.9
492K27.4Very low30.3Very low164 Ų164141 Ų14171%0.71377%0.773SS**  trans96.4127.5133.7-114.7179.2-162.976.30124.1
493A27.4Very low30.5Very low86 Ų86142.9 Ų142.971%0.71178%0.776SS**  trans84.9109.9142.200000122.5
494Q29.1Very low30.7Very low162 Ų162142.9 Ų142.976%0.75778%0.78SS**  trans64.8111.4131.2-151.369.33300118.1
495D29.4Very low30.6Very low130 Ų130142.3 Ų142.370%0.69578%0.78SS**  -162.1147.265-137.4-11.1000117
496Q30.2Very low30.8Very low175 Ų175143.3 Ų143.382%0.81877%0.773SS**  trans13.7116.5152.6-168.4161.495.100123.6
497A30Very low30.4Very low93 Ų93141.7 Ų141.777%0.76977%0.768SS**  -179121.7116.200000116.8
498A29.6Very low30.2Very low89 Ų89140.8 Ų140.874%0.73677%0.765SS**  trans57.9117.9143.700000124.2
499M31.6Very low29.9Very low176 Ų176139.9 Ų139.987%0.86777%0.765SS**  trans67.9120.3138.3-52.6-81.8-92.300117.4
500C32.9Very low29.5Very low117 Ų117138 Ų13879%0.79176%0.764SS**  cis-152.5171.934-82.10000113.3
501A32.7Very low29.6Very low86 Ų86136.3 Ų136.371%0.71177%0.766SS**  trans-49139.1174.200000114.1
502D26.5Very low29.6Very low133 Ų133134.2 Ų134.271%0.71177%0.767SS**  72.6107.655.7-75-43.3000114.9
503L31.4Very low29.6Very low180 Ų180132.3 Ų132.394%0.94277%0.77SS**  -159.1142.4116.8-101169.9000109
504F32.3Very low29.8Very low174 Ų174137.1 Ų137.176%0.76378%0.777SS**  trans-111.6-174.6-167.8-98.5-94.4000112.5
505E29Very low29.7Very low166 Ų166135.6 Ų135.678%0.77678%0.78SS**  trans83.3147.5157.9-52.3-155.1129.900118.7
506N31.4Very low29.5Very low110 Ų110134.9 Ų134.959%0.58878%0.783SS**  cis-160.3161.5-29.1-105.8-18.5000110.2
507D26.8Very low29.6Very low149 Ų149132.5 Ų132.580%0.79778%0.78SS**  trans53150.5150.8-70.5-40.1000123.2
508S34.4Very low29.5Very low111 Ų111135.6 Ų135.678%0.77678%0.784SS**  trans-95.1139.3161.5-550000109.3
509L27.7Very low29.8Very low168 Ų168138.5 Ų138.588%0.8879%0.785SS**  trans178.4145.3143.5-102.3164.2000113.6
510S26.8Very low29.8Very low109 Ų109136.1 Ų136.176%0.76278%0.776SS**  trans65.1173.1171.586.20000114.3
511V27.3Very low29.7Very low139 Ų139138.2 Ų138.284%0.84277%0.774SS**  cis-121.7152.238.6170.50000113.2
512S28.1Very low29.6Very low102 Ų102140.3 Ų140.371%0.71378%0.779SS**  trans-85.8173.4-179.7-166.90000113.5Q514S512-Q514 PolarHBondContact O-N 2.72Å
513T28.2Very low29.9Very low124 Ų124141.5 Ų141.576%0.76178%0.784SS**  trans-61.1128.2173.252.40000112.7
514Q30.5Very low29.8Very low186 Ų186141.1 Ų141.187%0.86978%0.783SS**  -163.7157.7127.8-112.71694.300114.6S512S512-Q514 PolarHBondContact O-N 2.72Å
515T26.6Very low29.7Very low131 Ų131137.5 Ų137.580%0.80479%0.785SS**  trans-47.4141178.944.40000117.4
516C25.4Very low29.8Very low114 Ų114134.8 Ų134.877%0.7779%0.791SS**  -153158.2114.4-157.70000111
517V32.8Very low29.7Very low125 Ų125132.9 Ų132.976%0.75880%0.798SS**  trans-129.2113.4167.6172.10000107.1I519V517-I519 HydrophobicContact CG1-CG1 4.36Å; V517-I519 PolarHBondContact O-N 2.96Å
518D27.1Very low29.9Very low158 Ų158131.5 Ų131.585%0.84580%0.8SS**  trans-79.1116.3173.9-85.1-49.8000110.9
519I36.8Very low29.5Very low150 Ų150133.7 Ų133.777%0.76980%0.803SS**  trans-135.5129.8157.3-61.9-175.9000108.8V517V517-I519 HydrophobicContact CG1-CG1 4.36Å; V517-I519 PolarHBondContact O-N 2.96Å
520N30.7Very low29.8Very low126 Ų126133.8 Ų133.867%0.67480%0.803SS**  trans-38.9153.7-176.4-79.931.5000119.2
521E30.9Very low30.1Very low161 Ų161138.5 Ų138.575%0.75281%0.806SS**  trans35.5127.1131.7-49.6170.811800117.6
522T31.1Very low30.2Very low130 Ų130140 Ų14080%0.79880%0.804SS**  -174.9153.373.7-60.30000110.1
523L32.5Very low30.3Very low159 Ų159141.4 Ų141.483%0.83280%0.803SS**  trans-62.9140.2170.3-69.6164.8000112.8
524N30Very low30.6Very low172 Ų172138.7 Ų138.792%0.9279%0.789SS**  trans-163.6155134.3-105-42.6000112
525A30.2Very low30.7Very low97 Ų97138.4 Ų138.480%0.80279%0.785SS**  trans-120.7147.2-177.100000111.5
526A30.2Very low30.9Very low110 Ų110137 Ų13791%0.90978%0.78SS**  trans163.4156.4140.700000111.4
527G29.3Very low31Very low70 Ų70138.5 Ų138.572%0.72279%0.786SS**  trans124.396.6147.200000117.7
528S30.4Very low31.1Very low119 Ų119137.1 Ų137.183%0.83279%0.787SS**  trans48.8100.3142.5-56.70000121
529N27.1Very low31.2Very low157 Ų157133.3 Ų133.384%0.8479%0.785SS**  -17.7150.5128.1-53.1-42.3000116.4
530L34.3Very low31Very low171 Ų171133.9 Ų133.990%0.89579%0.789SS**  -156.4139.9115.8-106.8170.3000112.4
531Y32.3Very low30.8Very low208 Ų208133.5 Ų133.582%0.81680%0.795SS**  trans-75173.7162.3-97.6-140.3000109.5
532E29.1Very low30.6Very low171 Ų171135.5 Ų135.580%0.79980%0.802SS**  cis-129.9161.911.3-80.1-170.2135.500109.1
533D30Very low30.5Very low131 Ų131132.5 Ų132.570%0.70180%0.797SS**  cis103.2145.532-165.450.2000115.8
534S34.8Very low30.2Very low66 Ų66132 Ų13246%0.46280%0.8SS.*  trans64.5112.1158.7-80.60000123
535K32.8Very low30.4Very low180 Ų180132.1 Ų132.178%0.78380%0.795SS**  58.7110.2118.1-70.8166-171.2148.30119.1
536S30.8Very low30.4Very low102 Ų102133.8 Ų133.871%0.71380%0.795SS**  87128.968.174.90000115.8
537V28.4Very low30.7Very low145 Ų145136.3 Ų136.388%0.87979%0.788SS**  trans175150.4134.5146.40000108.9
538A35.4Very low30.8Very low96 Ų96139.2 Ų139.279%0.79379%0.787SS**  trans-98.7164-177.200000113.6
539G27.4Very low31.1Very low78 Ų78141.4 Ų141.480%0.80479%0.788SS**  trans-144.6137.816900000111
540L34.1Very low31.1Very low163 Ų163137.9 Ų137.985%0.85379%0.789SS**  trans-130.2146.9-169.6-72.3166.3000112.2
541C26.4Very low31Very low117 Ų117133.5 Ų133.579%0.79179%0.785SS**  trans-154.6118.2151.5-940000107.9
542F27.1Very low30.8Very low204 Ų204128.9 Ų128.990%0.89578%0.783SS**  71.4122.480-81.3-66.2000113.7
543G27.6Very low31Very low67 Ų67128.5 Ų128.569%0.69179%0.787SS**  cis-139.1-140.2-2.800000111.6
544V27.3Very low31.4Very low148 Ų148130.6 Ų130.690%0.89780%0.795SS**  cis-149.3179.23.2178.60000108.6
545Q33.8Very low31.8Very low174 Ų174132 Ų13281%0.81381%0.81SS**  trans-80167.1-179.7-63.7172.1-800112.8
546T30.2Very low32.1Very low133 Ų133129.2 Ų129.282%0.81680%0.804SS**  cis-149.9175.343.648.20000116.3
547H36.5Very low32.9Very low163 Ų163131.8 Ų131.876%0.75581%0.809SS**  trans-50.1168.3176.2-90.8-115.2000116.9
548D31Very low33.8Very low131 Ų131132.6 Ų132.670%0.70180%0.804SS**  cis-149.4-170.322.9-132.5-36.6000116.7
549L36.5Very low34.7Very low165 Ų165132 Ų13286%0.86479%0.79SS**  trans-70.7149.1-159.9-72.2156.5000122.1
550G28.1Very low35.7Very low83 Ų83136.3 Ų136.386%0.85679%0.789SS**  trans108.6139.5146.500000117.4
551G30.6Very low36.5Very low78 Ų78133.5 Ų133.580%0.80478%0.779SS**  cis170.9157-9.100000113.3
552S29.1Very low37.8Very low112 Ų112132.9 Ų132.978%0.78377%0.767SS**  trans7895.5167.6-169.90000121.9
553N33.2Very low39Very low162 Ų162127 Ų12787%0.86675%0.748SS**  59.8162.4123.4-65-15.3000124.3
554M38.3Very low40.2Very low176 Ų176129.5 Ų129.587%0.86775%0.745SS**  trans-99.2160.3-172.3-62.2170.559.400114
555A42.6Very low41.5Very low96 Ų96127.5 Ų127.579%0.79373%0.729SS**  trans58.1114.3145.500000119.9
556D39.5Very low42.5Very low121 Ų121123 Ų12365%0.64771%0.71SS**  trans-146.6145.7130.6-154.7-22.3000109.5Q558D556-Q558 PolarHBondContact OD1-N 3.27Å
557N46.9Very low43.6Very low155 Ų155120.9 Ų120.983%0.82969%0.693SS**  trans-157.928.7177.3-141-11000112.6
558Q47.9Very low44.6Very low163 Ų163117.7 Ų117.776%0.76268%0.682SS**SBendtrans-120-0.6179.3-66.2-164.4-70.800114.7D556D556-Q558 PolarHBondContact OD1-N 3.27Å
559T54.4Low45.7Very low82 Ų82118 Ų11850%0.50368%0.679SS.*SBendtrans-86-24.5-168.7-16.40000114.9T561 I562T559-T561 VanDerWaalsContact C-N 3.34Å; T559-T561 PolarHBondContact O-N 2.95Å; T559-I562 PolarHBondContact O-N 2.92Å
560Q49.1Very low46.4Very low170 Ų170115 Ų11579%0.79466%0.664SS**Hα-helixtrans-69.7-25.3-172.6-69.6-174.2-6.300114.4I562Q560-I562 VanDerWaalsContact C-N 3.34Å
561T50.1Low47.7Very low103 Ų103117.4 Ų117.463%0.63266%0.655SS**Hα-helixtrans-75.1-22.6179.2-370000112.8T559T559-T561 VanDerWaalsContact C-N 3.34Å; T559-T561 PolarHBondContact O-N 2.95Å
562I54.9Low48.7Very low104 Ų104120.8 Ų120.853%0.53365%0.654SS.*Hα-helixtrans-87.2-32.7-172.2-63.6177000111.8T559 Q560 L565 N566T559-I562 PolarHBondContact O-N 2.92Å; Q560-I562 VanDerWaalsContact C-N 3.34Å; I562-L565 PolarHBondContact O-N 3.12Å; I562-N566 PolarHBondContact O-N 3.28Å; I562-N566 PolarHBondContact O-ND2 2.82Å
563T51.1Low49.5Very low82 Ų82119.2 Ų119.250%0.50364%0.643SS.*Hα-helixtrans-62.4-46.9174.3-44.80000111.1L565 N566 D567T563-L565 PolarHBondContact O-N 3.15Å; T563-L565 VanDerWaalsContact O-N 3.08Å; T563-N566 PolarHBondContact O-N 3.47Å; T563-N566 VanDerWaalsContact O-N 3.1Å; T563-D567 PolarHBondContact O-N 2.85Å
564L53.1Low49.9Very low118 Ų118118.7 Ų118.762%0.61864%0.641SS**Hα-helixtrans-64.6-14.9-178.2-124.9167000114.1L568L564-L568 WeakPolarHBondContact O-CD1 3.41Å
565L54Low50.1Low107 Ų107119.5 Ų119.556%0.5664%0.642SS**Hα-helixtrans-93.3-38.2173-68.6170.8000112I562 T563 D567 L568 E569I562-L565 PolarHBondContact O-N 3.12Å; T563-L565 PolarHBondContact O-N 3.15Å; T563-L565 VanDerWaalsContact O-N 3.08Å; L565-D567 VanDerWaalsContact C-N 3.35Å; L565-D567 PolarHBondContact O-N 3.04Å; L565-L568 PolarHBondContact O-N 3Å; L565-E569 PolarHBondContact O-N 3.01Å
566N56.3Low49.9Very low80 Ų80123.3 Ų123.343%0.42864%0.643SS.*Hα-helixtrans-62.9-39.7174.1-85.9-91.8000112.2I562 T563 L568 E569 N570I562-N566 PolarHBondContact O-N 3.28Å; I562-N566 PolarHBondContact O-ND2 2.82Å; T563-N566 PolarHBondContact O-N 3.47Å; T563-N566 VanDerWaalsContact O-N 3.1Å; N566-L568 PolarHBondContact O-N 3.41Å; N566-E569 PolarHBondContact O-N 3.43Å; N566-N570 PolarHBondContact O-N 3.36Å; N566-N570 PolarHBondContact O-ND2 2.85Å; N566-N570 VanDerWaalsContact O-ND2 3.07Å
567D52.5Low49.6Very low87 Ų87123 Ų12347%0.46565%0.646SS.*Hα-helixtrans-63.3-28.8178.8-66.9-23.6000112.1T563 L565 I571T563-D567 PolarHBondContact O-N 2.85Å; L565-D567 VanDerWaalsContact C-N 3.35Å; L565-D567 PolarHBondContact O-N 3.04Å; D567-I571 WeakPolarHBondContact O-CD1 3.38Å; D567-I571 WeakPolarHBondContact O-CG1 3.47Å; D567-I571 PolarHBondContact O-N 3.11Å
568L56.6Low48.9Very low97 Ų97123.7 Ų123.751%0.50865%0.647SS.*Hα-helixtrans-79.5-31.9175.7-67.5173000113.1L564 L565 N566 L572L564-L568 WeakPolarHBondContact O-CD1 3.41Å; L565-L568 PolarHBondContact O-N 3Å; N566-L568 PolarHBondContact O-N 3.41Å; L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.34Å
569E55.4Low48.1Very low136 Ų136120.6 Ų120.664%0.63664%0.64SS**Hα-helixtrans-72.1-34.8172.7-69.1-169.7138.500111.9L565 N566 L572 S573L565-E569 PolarHBondContact O-N 3.01Å; N566-E569 PolarHBondContact O-N 3.43Å; E569-L572 PolarHBondContact O-N 2.92Å; E569-S573 PolarHBondContact O-N 3.28Å; E569-S573 PolarHBondContact O-OG 2.92Å
570N50Low47Very low103 Ų103125.6 Ų125.655%0.55166%0.658SS**Hα-helixtrans-64.1-44.7175.7-77.8-53.7000112.2N566 L572 S573N566-N570 PolarHBondContact O-N 3.36Å; N566-N570 PolarHBondContact O-ND2 2.85Å; N566-N570 VanDerWaalsContact O-ND2 3.07Å; N570-L572 PolarHBondContact O-N 2.92Å; N570-S573 PolarHBondContact O-N 3.39Å
571I57Low46.1Very low133 Ų133122.5 Ų122.568%0.68266%0.661SS**Hα-helixtrans-62.7-26.6178.4-67.9167.8000112.3D567D567-I571 WeakPolarHBondContact O-CD1 3.38Å; D567-I571 WeakPolarHBondContact O-CG1 3.47Å; D567-I571 PolarHBondContact O-N 3.11Å
572L50Low45.1Very low149 Ų149123.4 Ų123.478%0.7867%0.671SS**Hα-helixtrans-89.4-6.9177.1-67.2173.2000113.9L568 E569 N570L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.34Å; E569-L572 PolarHBondContact O-N 2.92Å; N570-L572 PolarHBondContact O-N 2.92Å
573S46.7Very low44Very low79 Ų79123 Ų12355%0.55268%0.684SS**Hα-helixtrans-92-26.1-176.9-61.40000114E569 N570 H575E569-S573 PolarHBondContact O-N 3.28Å; E569-S573 PolarHBondContact O-OG 2.92Å; N570-S573 PolarHBondContact O-N 3.39Å; S573-H575 PolarHBondContact O-N 3.4Å
574D40.6Very low42.8Very low152 Ų152123 Ų12381%0.81370%0.7SS**THydrogen-bonded Turntrans-79.114.3-170.4-112.66.1000115.1
575H43.7Very low41.7Very low192 Ų192124.2 Ų124.289%0.88972%0.717SS**THydrogen-bonded Turntrans-121.933.8178.5-96.8-7.3000114.5S573S573-H575 PolarHBondContact O-N 3.4Å
576Q37.3Very low40.5Very low177 Ų177122.6 Ų122.683%0.82773%0.726SS**SBendtrans-142.3139163.6-128.8170.942.900115
577V33.4Very low39.4Very low114 Ų114124.9 Ų124.969%0.69175%0.748SS**  trans78.399167.8-165.50000118.6
578I32Very low38.3Very low169 Ų169123.4 Ų123.487%0.86775%0.754SS**  trans-126.791.8134.1-61.1180000105.6
579T30.9Very low37.9Very low98 Ų98124.8 Ų124.860%0.60177%0.769SS**  90.499.586.9-58.60000114
580E32.9Very low36.5Very low188 Ų188121.6 Ų121.688%0.87977%0.772SS**  trans26129.2144.9-51-170137.100122.6
581A29.9Very low35.7Very low105 Ų105122.5 Ų122.587%0.86879%0.786SS**  -163.1134.8123.700000113.6
582S28.8Very low34.4Very low121 Ų121123 Ų12385%0.84680%0.796SS**  trans-38.4134.2176.9-176.20000119.2
583A30.8Very low33.5Very low97 Ų97124.4 Ų124.480%0.80280%0.798SS**  165.6142.8109.300000115
584G27.1Very low33.1Very low82 Ų82129.3 Ų129.385%0.84581%0.812SS**  trans107.8118.215500000118.4
585C29.5Very low32.8Very low142 Ų142130.1 Ų130.196%0.95981%0.811SS**  trans-71.3153.2-176.8-480000115.4
586G28.9Very low32.4Very low74 Ų74130.1 Ų130.176%0.76381%0.811SS**  trans16964.7163.800000120.8
587S32.5Very low32.2Very low127 Ų127128.7 Ų128.789%0.88881%0.809SS**  trans14.3134.3153.9-48.60000123.2
588G30.9Very low32.1Very low57 Ų57126.8 Ų126.859%0.58881%0.813SS**  trans121.3127.9140.300000117.8
589P47.2Very low32.5Very low126 Ų126125.1 Ų125.182%0.81881%0.805SS**  trans-93.6160.7179.737-35.4000114.3
590G26.8Very low32.6Very low69 Ų69128 Ų12871%0.71182%0.816SS**  trans-176.4121.5169.700000114.9
591S31.8Very low33Very low121 Ų121127.3 Ų127.385%0.84681%0.811SS**  trans28.9118.7159.658.50000120.5
592V30.7Very low33.9Very low145 Ų145127.5 Ų127.588%0.87980%0.797SS**  trans-63.8142.1161.9176.90000110.7
593Q31.2Very low34.8Very low177 Ų177129 Ų12983%0.82779%0.789SS**  trans-115.6128.2165.9179.8176.6-4.100108.6
594E38Very low35.6Very low183 Ų183131.2 Ų131.286%0.85578%0.782SS**  trans-66.1133.7177.6-67.7172.7108.900111.2
595Q34.6Very low36.7Very low169 Ų169134.5 Ų134.579%0.7978%0.776SS**  trans-111.1120.9167.7-72.7-170.3-29.400109.4N597Q595-N597 PolarHBondContact O-N 2.84Å; Q595-N597 VanDerWaalsContact O-N 3.12Å
596H34.9Very low37.9Very low191 Ų191134.4 Ų134.488%0.88476%0.759SS**  trans-7397.6170.6-83.9-87.6000110.2G598H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact O-N 3.36Å; H596-G598 VanDerWaalsContact O-N 3.12Å
597N32.8Very low39.1Very low147 Ų147136 Ų13679%0.78675%0.75SS**  trans-78.685.7160.5-76.5-6.5000109Q595 I599Q595-N597 PolarHBondContact O-N 2.84Å; Q595-N597 VanDerWaalsContact O-N 3.12Å; N597-I599 PolarHBondContact O-N 3.33Å
598G31.2Very low39.6Very low75 Ų75136 Ų13677%0.77374%0.74SS**  trans-72.8114.9167.300000109.8H596 D600H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact O-N 3.36Å; H596-G598 VanDerWaalsContact O-N 3.12Å; G598-D600 PolarHBondContact O-N 3.24Å
599I41.6Very low40.3Very low134 Ų134136.9 Ų136.969%0.68774%0.742SS**  trans-81109.9169.3-58.3174.3000106.9N597 F601N597-I599 PolarHBondContact O-N 3.33Å; I599-F601 HydrophobicContact CB-CE2 4.18Å; I599-F601 HydrophobicContact CG2-CD2 3.89Å; I599-F601 HydrophobicContact CG2-CE2 3.57Å; I599-F601 HydrophobicContact CG2-CZ 4.12Å
600D32.2Very low40.1Very low159 Ų159135.9 Ų135.985%0.8573%0.733SS**  trans-78.9130.4171.6-155.62.3000108.9G598G598-D600 PolarHBondContact O-N 3.24Å
601F42.2Very low40.5Very low172 Ų172140 Ų14075%0.75473%0.733SS**  trans-109.596.3-176.1-90.5-86.1000109.2I599 F603I599-F601 HydrophobicContact CB-CE2 4.18Å; I599-F601 HydrophobicContact CG2-CD2 3.89Å; I599-F601 HydrophobicContact CG2-CE2 3.57Å; I599-F601 HydrophobicContact CG2-CZ 4.12Å; F601-F603 PolarHBondContact O-N 3.08Å
602D48.3Very low40.8Very low109 Ų109141.8 Ų141.858%0.58373%0.732SS**  trans-65.4121.3174.9-165-29.8000110.2E604D602-E604 VanDerWaalsContact C-N 3.34Å; D602-E604 PolarHBondContact OD1-N 3.49Å
603F47.5Very low40.9Very low153 Ų153141.2 Ų141.267%0.67172%0.72SS**Hα-helixtrans-80.1-15.7-176-151.9-92.2000112.6F601 L607F601-F603 PolarHBondContact O-N 3.08Å; F603-L607 HydrophobicContact CD1-CD1 4.12Å; F603-L607 HydrophobicContact CE1-CD1 4.29Å; F603-L607 WeakPolarHBondContact O-CG 3.48Å
604E48.2Very low41Very low143 Ų143138.9 Ų138.967%0.66872%0.718SS**Hα-helixtrans-82.3-31.1178-61.2-154.816400112.5D602 F606 L607 N608D602-E604 VanDerWaalsContact C-N 3.34Å; D602-E604 PolarHBondContact OD1-N 3.49Å; E604-F606 PolarHBondContact O-N 3.27Å; E604-L607 PolarHBondContact O-N 3.11Å; E604-N608 PolarHBondContact O-N 3.11Å; E604-N608 VanDerWaalsContact O-N 3.09Å; E604-N608 PolarHBondContact O-ND2 3.19Å
605E50.4Low40.6Very low151 Ų151137.5 Ų137.571%0.70671%0.711SS**Hα-helixtrans-61.6-45.2175.2-173.5172.1-154.800111.5L607 N608 A609E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.3Å; E605-N608 PolarHBondContact O-N 2.98Å; E605-A609 PolarHBondContact O-N 3.37Å
606F53.8Low40.5Very low140 Ų140135.7 Ų135.761%0.61471%0.712SS**Hα-helixtrans-60.5-33.2177.3-177.2-101.4000113.2E604E604-F606 PolarHBondContact O-N 3.27Å
607L54.3Low40.4Very low108 Ų108135.4 Ų135.457%0.56571%0.711SS**Hα-helixtrans-79-30.2178.7-67.6176.4000112.7F603 E604 E605F603-L607 HydrophobicContact CD1-CD1 4.12Å; F603-L607 HydrophobicContact CE1-CD1 4.29Å; F603-L607 WeakPolarHBondContact O-CG 3.48Å; E604-L607 PolarHBondContact O-N 3.11Å; E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.3Å
608N43.5Very low40.6Very low126 Ų126137.3 Ų137.367%0.67472%0.715SS**Hα-helixtrans-71.9-30.5172.7-72.6-55.5000112.3E604 E605 V610E604-N608 PolarHBondContact O-N 3.11Å; E604-N608 VanDerWaalsContact O-N 3.09Å; E604-N608 PolarHBondContact O-ND2 3.19Å; E605-N608 PolarHBondContact O-N 2.98Å; N608-V610 VanDerWaalsContact C-N 3.27Å; N608-V610 PolarHBondContact O-N 3.3Å
609A46Very low40.8Very low77 Ų77139 Ų13964%0.63672%0.715SS**SBendtrans-67.5-21176.800000114.3E605 H611E605-A609 PolarHBondContact O-N 3.37Å; A609-H611 PolarHBondContact O-N 3.23Å
610V41.8Very low40.6Very low105 Ų105141.8 Ų141.864%0.63673%0.725SS**  trans-99.253.2-177.3-167.80000111.3N608N608-V610 VanDerWaalsContact C-N 3.27Å; N608-V610 PolarHBondContact O-N 3.3Å
611H36.5Very low40.6Very low154 Ų154142.2 Ų142.271%0.71373%0.727SS**  trans-130.162.4172.9-146.384.3000112.6A609 Q613A609-H611 PolarHBondContact O-N 3.23Å; H611-Q613 PolarHBondContact O-N 3.38Å
612I36.9Very low40Very low159 Ų159137.6 Ų137.682%0.81573%0.728SS**  trans-69.193.3173.6-58.5179.5000109.2T614I612-T614 PolarHBondContact O-N 3.37Å
613Q33.3Very low39.1Very low133 Ų133139.4 Ų139.462%0.62174%0.742SS**  trans-80.3107.1170.6-178.6177.3-16.800108.9H611 Q615H611-Q613 PolarHBondContact O-N 3.38Å; Q613-Q615 HydrophobicContact CG-CG 4.3Å; Q613-Q615 PolarHBondContact O-N 3.42Å
614T32.5Very low38.4Very low129 Ų129140 Ų14079%0.79175%0.752SS**  trans-71.289.4175.652.90000110.6I612I612-T614 PolarHBondContact O-N 3.37Å
615Q30.4Very low37.4Very low154 Ų154137.1 Ų137.172%0.7276%0.76SS**  trans-84.2135157.9-60.6-169.316.100108.3Q613Q613-Q615 HydrophobicContact CG-CG 4.3Å; Q613-Q615 PolarHBondContact O-N 3.42Å
616T32.6Very low36.4Very low130 Ų130133 Ų13380%0.79876%0.758SS**  trans-90.3111.717244.10000108.6
617E32.4Very low35.1Very low185 Ų185134.2 Ų134.286%0.86477%0.771SS**  trans-81.5119.1172.461.8-165.2150.700110.5S619E617-S619 PolarHBondContact O-N 2.8Å
618E37.6Very low33.9Very low188 Ų188135.4 Ų135.488%0.87978%0.783SS**  trans-87.4101.1179.554-150.4101.800110.6
619S34.8Very low33.7Very low110 Ų110134.4 Ų134.477%0.76978%0.783SS**  trans-90.8121.4176.6-68.50000112E617E617-S619 PolarHBondContact O-N 2.8Å
620E36.7Very low32.9Very low192 Ų192139 Ų13990%0.89780%0.797SS**  trans-70.7132.2172.7-59-179118.800111.5
621L33.1Very low32.4Very low169 Ų169137.2 Ų137.289%0.88580%0.799SS**  trans-156.1105.3156.3-116.9166.4000110.1
622G29.9Very low32.2Very low75 Ų75135.7 Ų135.777%0.77381%0.806SS**  trans-77.6141.4-179.200000112.9
623V29.1Very low31.9Very low147 Ų147135.7 Ų135.789%0.89181%0.807SS**  trans-122.5143.2168.3179.30000109
624L33.1Very low31.7Very low166 Ų166136.7 Ų136.787%0.86982%0.816SS**  trans-93.5138.9-167.5-64.2163.5000112.8
625G26.6Very low31.6Very low81 Ų81138.1 Ų138.184%0.83582%0.817SS**  65119.9129.700000121.1
626G28.8Very low31.7Very low66 Ų66138.8 Ų138.868%0.6882%0.82SS**  trans89.5145.7157.300000115.7
627D27.7Very low31.7Very low165 Ų165138.5 Ų138.588%0.88282%0.819SS**  cis-151.4145.6-13.2-94.1-46.7000109.8
628T28.1Very low31.5Very low133 Ų133136.8 Ų136.882%0.81681%0.811SS**  trans-71.5145.4164.911.40000109.6
629P40.5Very low31.1Very low104 Ų104134.5 Ų134.568%0.67581%0.81SS**  -156.1165.874.542.1-23.3000118
630L29.5Very low30.6Very low175 Ų175136 Ų13692%0.91681%0.809SS**  trans65.5153.6159.2-64.8156.1000117.1
631G30.4Very low30.3Very low67 Ų67136.3 Ų136.369%0.69181%0.808SS**  cis-165.3159.3-4.800000112.2
632S33.1Very low30.1Very low122 Ų122136.4 Ų136.485%0.85381%0.808SS**  trans-91.6119.1-179.2-47.30000111.4
633L30.6Very low30Very low159 Ų159140.1 Ų140.183%0.83281%0.81SS**  trans-164.2124.7160.5-93.5135.7000105.3
634D28.1Very low30Very low153 Ų153140.3 Ų140.382%0.81880%0.803SS**  51.388.756.3-79.4-11.3000113.8
635I30.9Very low29.8Very low160 Ų160139.9 Ų139.982%0.82180%0.801SS**  trans-133.6127148.1-55.6-178000108.8
636Q32.7Very low29.9Very low167 Ų167143.4 Ų143.478%0.7880%0.796SS**  trans-99.4132.5178.7169.5-173.6-8.600109.9
637T31.6Very low29.9Very low124 Ų124147.2 Ų147.276%0.76180%0.8SS**  trans-136.392.1168.254.30000108.1
638Q29.1Very low29.9Very low150 Ų150144.8 Ų144.870%0.70179%0.787SS**  49.3105.790.6-79.1-168.6-70.100113.9
639T28Very low30.1Very low139 Ų139146.1 Ų146.185%0.85378%0.784SS**  trans-99.1116158.548.10000108.6
640D25.9Very low29.6Very low143 Ų143146.1 Ų146.177%0.76579%0.786SS**  trans-105.9139.4167.6-85.6-48.1000110.5
641F29.7Very low29.6Very low198 Ų198147.1 Ų147.187%0.86879%0.786SS**  trans-82.7133.6171.6-94.4-108.5000110.2
642L28.5Very low29.5Very low170 Ų170147.7 Ų147.789%0.8979%0.793SS**  trans-145.8150.7144.7-85.3-170.5000111.4
643L28.6Very low29.4Very low154 Ų154150.4 Ų150.481%0.80679%0.792SS**  trans-82.5150.3173.3-59.387.4000110.3
644M28.4Very low29.2Very low150 Ų150148.1 Ų148.174%0.73979%0.789SS**  -175.7129.2111.4-87.8-112.551.100109.4E646M644-E646 HydrophobicContact CE-CB 4.29Å
645D29.3Very low29.3Very low158 Ų158151.4 Ų151.485%0.84579%0.79SS**  trans-119.5128.8158.9-169.125.9000105.2
646E28.4Very low29.3Very low155 Ų155148.2 Ų148.272%0.72478%0.782SS**  trans-128.6141.4-171-163.8173.6170.300110.4M644M644-E646 HydrophobicContact CE-CB 4.29Å
647L28.7Very low29.5Very low145 Ų145149 Ų14976%0.75979%0.786SS**  trans-32.7157-177.1-80.764.4000116.4
648D28.4Very low29.3Very low114 Ų114147.1 Ų147.161%0.6178%0.783SS**  cis-168.7170.839.6-147-8000116
649Q31.9Very low29.3Very low162 Ų162145.6 Ų145.676%0.75779%0.789SS**  trans65142.3154.1-74.9159.764.100119.3
650S30.7Very low29.4Very low103 Ų103145.5 Ų145.572%0.7278%0.783SS**  cis-153.7148.80.951.50000113.8
651E28.5Very low29.8Very low196 Ų196144.8 Ų144.892%0.91678%0.778SS**  trans30.1127.9154.2-51.3-171.3128.200120.7
652G28.3Very low30.1Very low80 Ų80142.5 Ų142.583%0.82577%0.77SS**  cis178-150.48.200000109.3
653Q30.1Very low30.6Very low179 Ų179140.1 Ų140.184%0.83676%0.758SS**  cis-167.3127.9-5.1-169-166.9111.300111
654S26.9Very low30.7Very low111 Ų111141.7 Ų141.778%0.77676%0.759SS**  trans71.1154.2166.797.70000117.6
655R31.1Very low30.9Very low221 Ų221141.1 Ų141.183%0.83476%0.759SS**  cis-164.6136.8-4.1-165.8-171.4168.4160.6-4.3111.7
656S30.9Very low30.9Very low93 Ų93140.4 Ų140.465%0.6576%0.76SS**  trans58.7149.1154.354.20000120.8
657Q35.8Very low31.2Very low184 Ų184139.9 Ų139.986%0.8676%0.758SS**  cis-166.2163.6-7.5-118.9179.8-5.900111.3
658A28.4Very low31.3Very low85 Ų85137.9 Ų137.970%0.70275%0.752SS**  trans63.1122.9157.600000118.6
659S28.9Very low31.4Very low118 Ų118140.4 Ų140.483%0.82576%0.759SS**  85.2139.651.8-700000113.5
660D30.3Very low31.4Very low137 Ų137138.5 Ų138.573%0.73376%0.759SS**  cis-171.3178.7-14.3-160.1-9.2000108.4
661L33.5Very low31.1Very low127 Ų127141.4 Ų141.467%0.66577%0.767SS**  trans69.3146.6175.1-69.569.6000116
662E37.4Very low31.3Very low150 Ų150138.8 Ų138.870%0.70176%0.758SS**  cis-161.1158.9-9.1-116.2173.3-17800111.1
663L38.4Very low31.4Very low121 Ų121141.6 Ų141.663%0.63475%0.754SS**  trans36.6126.7143.5-59.9165000119.7
664F31.2Very low31.3Very low187 Ų187142.5 Ų142.582%0.8276%0.756SS**  cis-151.3157.928.4-91.6-78.4000111.6
665D31.1Very low31.4Very low138 Ų138144.9 Ų144.974%0.73876%0.759SS**  trans-110.5135.1175-17311.5000111.4
666T29.8Very low31.4Very low142 Ų142141.4 Ų141.487%0.87176%0.756SS**  trans-149.8114.5165.247.70000109.8
667Q34.9Very low31.3Very low145 Ų145144.1 Ų144.168%0.67876%0.764SS**  trans-137.2134.4-171.5168.467-10.600109
668T30.7Very low31Very low103 Ų103141.8 Ų141.863%0.63276%0.762SS**  trans61.5163.116953.80000117.3
669Q29.7Very low30.9Very low166 Ų166140.9 Ų140.978%0.77676%0.761SS**  cis-146.8178.6-12.5-133.5165.1-54.900111.9
670T33.2Very low31Very low123 Ų123141.3 Ų141.376%0.75576%0.764SS**  trans-59.1141.6157.548.70000112.7
671D24.1Very low30.9Very low163 Ų163138.6 Ų138.687%0.87277%0.768SS**  trans-151.8165143.5-153.31.1000112.3
672L31.6Very low30.8Very low141 Ų141141.2 Ų141.274%0.73878%0.779SS**  trans-129.1126.8-177.1-83.3168.7000112.1
673N31Very low31.2Very low140 Ų140138.9 Ų138.975%0.74978%0.777SS**  trans6693.2160.6-56.5-55.9000119.4
674F29.1Very low30.8Very low198 Ų198141 Ų14187%0.86879%0.788SS**  -138.9142.7124.3-98.3-89.7000106.2
675L28.2Very low30.7Very low160 Ų160136.7 Ų136.784%0.83878%0.781SS**  cis-134.514145.2-74157000113.9
676L32Very low30.6Very low149 Ų149136.5 Ų136.578%0.7878%0.78SS**  trans-95.9142.3155.8-76.2167.2000109.7
677N27.5Very low31Very low150 Ų150137.2 Ų137.280%0.80278%0.777SS**  trans174.6141.7155.4-88.9-26.5000107.4
678T29.9Very low30.9Very low134 Ų134136.2 Ų136.282%0.82278%0.776SS**  cis-161.3155.41.111.80000108.8
679G26.8Very low31Very low66 Ų66140.7 Ų140.768%0.6878%0.781SS**  trans130.2102.1148.300000119.1
680S29.7Very low31.1Very low128 Ų128141.1 Ų141.190%0.89578%0.782SS**  trans40.3126.1140.460.90000122.4
681G29.7Very low30.8Very low79 Ų79139.7 Ų139.781%0.81478%0.778SS**  trans150.4105.3151.100000116.7
682M30.6Very low31.1Very low182 Ų182137.1 Ų137.190%0.89777%0.772SS**  trans-84.4176.4162-73.9-77.8-172.100110.1
683P45.5Very low31.1Very low102 Ų102140.1 Ų140.166%0.66278%0.78SS**  cis-136172.2-0.919.66.9000116.4
684L30.3Very low31Very low165 Ų165139.6 Ų139.686%0.86479%0.787SS**  trans49.3151.7136.1-62.2171.3000121.8
685S28.4Very low31.2Very low96 Ų96137.6 Ų137.667%0.67178%0.784SS**  cis-165.7161.2-2.642.20000112.8
686N29.6Very low31.3Very low134 Ų134135.1 Ų135.172%0.71778%0.78SS**  trans1.1138.5153-61.4-15.8000121
687I39.6Very low31.4Very low157 Ų157134.2 Ų134.281%0.80578%0.781SS**  -159.6104.6109.4-92.8146.8000106
688L32.3Very low31.5Very low124 Ų124135.2 Ų135.265%0.64978%0.781SS**  55.499.791.8-65.4172.9000112.3
689R31.8Very low31.5Very low197 Ų197133 Ų13374%0.74377%0.77SS**  81.3133.371.1-88.7-162.6176.5-155.510.7113.9
690H31.9Very low32.1Very low175 Ų175134.5 Ų134.581%0.8177%0.771SS**  trans68.5156.2157.7-61-35.5000117
691S28Very low32.3Very low94 Ų94135.3 Ų135.366%0.65777%0.765SS**  cis-171167-25.5-177.10000109.7
692S30Very low32.7Very low108 Ų108137.8 Ų137.876%0.75577%0.765SS**  trans87148.8149.6-53.70000119.6
693F31.2Very low32.9Very low204 Ų204137.1 Ų137.190%0.89576%0.76SS**  trans-82.9158.8180-64.2-112.6000111.9
694S29.4Very low32.3Very low130 Ų130137.6 Ų137.691%0.90976%0.761SS**  -177169.4116.7-810000112.5
695I33.7Very low32.4Very low156 Ų156137.5 Ų137.580%0.876%0.756SS**  trans-117.4139.8-174.2-175172.7000110.5
696S29Very low32.5Very low108 Ų108138.2 Ų138.276%0.75576%0.756SS**  trans171153.3136-77.80000114.7
697T34Very low32.4Very low129 Ų129138.7 Ų138.779%0.79176%0.759SS**  trans-27.4148.3163.452.50000117.1
698E29.6Very low31.9Very low171 Ų171138.5 Ų138.580%0.79976%0.759SS**  -174.3177.971.759.7170118.600116.1
699S31.7Very low31.8Very low87 Ų87136.6 Ų136.661%0.60876%0.76SS**  trans21154.5149.869.30000123.6
700S37.6Very low31.6Very low99 Ų99132.1 Ų132.169%0.69276%0.76SS**  cis-169.6162.7-19.8-93.10000111.9
701D35.6Very low31.5Very low144 Ų144133.5 Ų133.577%0.7776%0.764SS**  trans59124.6154.2-56.9-39.7000124.3
702T36.8Very low31.4Very low132 Ų132133.8 Ų133.881%0.8177%0.772SS**  -179.8132.4107.224.70000114.8
703E35.9Very low31.3Very low168 Ų168132.4 Ų132.479%0.78578%0.775SS**  trans39147.1143.1-89-172.5106.900123.7
704T32.4Very low31Very low112 Ų112126.1 Ų126.169%0.68777%0.768SS**  cis-146.2161.621.446.60000114.8
705Q31.4Very low31.9Very low162 Ų162125.7 Ų125.776%0.75776%0.761SS**  trans10.5150.2147.7-50.8177.88.300120.7
706T31.2Very low31.6Very low112 Ų112123.3 Ų123.369%0.68776%0.759SS**  cis-169.4150.543.2-30.90000112.3
707D26.8Very low31.7Very low143 Ų143122.7 Ų122.777%0.76575%0.754SS**  trans25.4157.1151.2-66.1-9.2000124.9
708L30.5Very low31.4Very low154 Ų154125.4 Ų125.481%0.80676%0.758SS**  cis-176.2144.1-25.7-174.771.2000108.8
709A29.6Very low31.2Very low83 Ų83121 Ų12169%0.68675%0.751SS**  trans50.7144.9161.100000120.8
710S27.9Very low31Very low104 Ų104125.8 Ų125.873%0.72776%0.763SS**  cis131.1149-1.7-81.30000111.1
711F28.8Very low30.5Very low203 Ų203127.5 Ų127.589%0.8977%0.77SS**  trans88.3112.3161-69.3-68.3000123
712A26.4Very low30.1Very low101 Ų101123.8 Ų123.884%0.83577%0.766SS**  85.9149.912000000121.5
713G27.7Very low29.6Very low79 Ų79127.4 Ų127.481%0.81477%0.773SS**  trans111.998.3158.100000116.5
714G25.1Very low29.2Very low72 Ų72123.3 Ų123.374%0.74278%0.776SS**  trans-99.2-166.9138.300000109.2
715P49.1Very low29.1Very low120 Ų120126.1 Ų126.178%0.77978%0.781SS**  cis-132-142.30.142.2-24.2000111.1
716S27.3Very low29.6Very low106 Ų106124 Ų12474%0.74178%0.782SS**  trans74.6151.5163.680.50000117.7
717S29.5Very low29.6Very low95 Ų95122 Ų12266%0.66478%0.784SS**  cis-169.4153.3-22.246.30000111.4
718Q29.3Very low29.6Very low186 Ų186125.6 Ų125.687%0.86979%0.787SS**  trans49.6117.2153.7-72.2178.9-55.900120.9
719A25Very low29.4Very low80 Ų80124.6 Ų124.666%0.66178%0.779SS**  35131.2126.900000121.1
720H27.4Very low29.5Very low186 Ų186127.8 Ų127.886%0.86178%0.784SS**  -164.216990.9-110.3-80000114.2
721T27.6Very low29.4Very low135 Ų135130.3 Ų130.383%0.82879%0.789SS**  trans-90140.2-177.747.80000114
722G26.1Very low29.5Very low66 Ų66126 Ų12668%0.6879%0.785SS**  trans-175110.9161.900000110.2
723Q26.6Very low29.7Very low208 Ų208126.7 Ų126.797%0.97278%0.779SS**  68.6109.186.2-78-95.3-55.300112.9
724G27.1Very low29.8Very low82 Ų82131.3 Ų131.385%0.84578%0.779SS**  trans172.738.3-178.900000119.4
725E31.5Very low30.1Very low171 Ų171133.7 Ų133.780%0.79978%0.779SS**  trans-69.7157151.1-98.8-84.1120.500108.5
726P41.3Very low29.2Very low118 Ų118136.9 Ų136.977%0.76678%0.784SS**  cis-138.9165.628.640.4-22000118.3
727G31Very low29.3Very low70 Ų70138 Ų13872%0.72279%0.786SS**  trans-146.783.5177.700000115.8
728R25.9Very low29.3Very low219 Ų219142.5 Ų142.583%0.82680%0.799SS**  trans-87.4139.1-166.5-165.3-155-176.6-153.72.2115.5
729M27.1Very low29.2Very low132 Ų132139.4 Ų139.465%0.6579%0.793SS**  trans69.3146.9166.6-74.4162.166.300116.2
730L31.4Very low29.4Very low151 Ų151141.6 Ų141.679%0.79180%0.803SS**  cis-145.6172.943-82.3166000114.7
731N26.7Very low29.6Very low156 Ų156141 Ų14183%0.83480%0.801SS**  trans-97.6146.9177.7-63.7-12.8000113.8
732S31Very low29.8Very low114 Ų114139.5 Ų139.580%0.79780%0.802SS**  trans-168.3125.6145.3-82.80000106.6
733T30.8Very low30.1Very low115 Ų115144.6 Ų144.671%0.70681%0.809SS**  90.5115.250.3-590000112.5
734E29.8Very low30.2Very low175 Ų175138.1 Ų138.182%0.81880%0.798SS**  trans63157.2175.8-68.217793.500116.2
735T30Very low30.5Very low123 Ų123143 Ų14376%0.75580%0.803SS**  cis-136.7160.213.4-37.90000111.8
736Q31.2Very low30.4Very low187 Ų187137.8 Ų137.887%0.87480%0.796SS**  trans-84.1135.2168.2-65.2178.9-6.300112.3
737T29.3Very low30Very low128 Ų128140.7 Ų140.779%0.78580%0.799SS**  trans-154.3128.7151.15.80000111.1
738M28.4Very low30.1Very low191 Ų191142.7 Ų142.794%0.94179%0.792SS**  trans-121.9107.3174.3-103.7-75.4164.700108.6
739T28.9Very low30.2Very low120 Ų120140.6 Ų140.674%0.73679%0.79SS**  trans-151.298.4-176.951.70000113.2
740S29.3Very low30.3Very low126 Ų126142.3 Ų142.388%0.88180%0.801SS**  trans-175.1122.8138.451.10000110.7
741Q30.9Very low30.3Very low174 Ų174141 Ų14181%0.81380%0.799SS**  trans-97.6151.7174.8-66.2169.8-73.900110.9
742A31.2Very low30.4Very low104 Ų104139.5 Ų139.586%0.8680%0.8SS**  trans-157.975.1156.600000109.7
743E31.8Very low30.3Very low173 Ų173141.6 Ų141.681%0.80880%0.803SS**  trans-82.8132.1179.7-67177.4119.700111.4
744G29.4Very low30.7Very low72 Ų72143.8 Ų143.874%0.74281%0.805SS**  trans-110.495.7-17000000114.6
745L32.9Very low30.8Very low183 Ų183141.4 Ų141.496%0.95880%0.803SS**  trans58.8135.9153.2-61.7169.7000119.7
746G29.3Very low31.3Very low63 Ų63144 Ų14465%0.64981%0.806SS**  trans-144.2169.7161.100000111
747H34.2Very low31.6Very low178 Ų178140 Ų14082%0.82480%0.795SS**  trans71.1143.5175.2-70.1-139.9000115.2
748L33.4Very low32Very low113 Ų113140.1 Ų140.159%0.59280%0.795SS**  cis-159.8168.1-5.9-118.7172.8000111.9
749F26.9Very low32.3Very low175 Ų175138 Ų13877%0.76879%0.785SS**  trans49.9124.3160.2-63.5-55.6000121.1
750L29.5Very low32.6Very low168 Ų168138.5 Ų138.588%0.8878%0.783SS**  -146.4155.6125.6-113.2170.9000109.9
751T30.6Very low33Very low122 Ų122138.9 Ų138.975%0.74878%0.775SS**  trans-88.5131.9-161.6500000113.9
752S30.5Very low33.3Very low125 Ų125139.6 Ų139.687%0.87478%0.776SS**  trans-66.4127.3161.851.90000110.7
753N28Very low33.8Very low158 Ų158140.9 Ų140.985%0.84577%0.767SS**  trans-124.5135.6165.7-159.42.9000108.8
754E39.6Very low34.2Very low161 Ų161136.8 Ų136.875%0.75276%0.758SS**  trans-102.8121.8-160.5-175.5172.8-159.400111.6
755T31Very low34.7Very low126 Ų126135.9 Ų135.977%0.77374%0.744SS**  trans-129.389.8172.546.50000110.5T757T755-T757 PolarHBondContact O-N 3.3Å
756Q41.1Very low34.9Very low176 Ų176133.2 Ų133.282%0.82273%0.73SS**  trans-74.7100.6-177.7-166172.635.100110.8
757T36.5Very low35.6Very low105 Ų105136.4 Ų136.464%0.64473%0.732SS**  trans-97.4116.417842.10000111.1T755 M759T755-T757 PolarHBondContact O-N 3.3Å; T757-M759 PolarHBondContact O-N 3.43Å
758V38.6Very low35.8Very low129 Ų129131.4 Ų131.478%0.78272%0.721SS**  trans-68.7111.9178.6177.40000109.9
759M34.9Very low36.1Very low147 Ų147132.7 Ų132.772%0.72472%0.718SS**  trans-140.413.6177.9-72.2-166.3-72.900114.5T757T757-M759 PolarHBondContact O-N 3.43Å
760D35Very low36.6Very low130 Ų130129.4 Ų129.470%0.69571%0.708SS**  trans-88.9-26.1-170.2-14342.5000114.3F762D760-F762 PolarHBondContact O-N 3.1Å; D760-F762 VanDerWaalsContact O-N 3.17Å
761D37.8Very low37.1Very low135 Ų135127.6 Ų127.672%0.72270%0.697SS**Hα-helixtrans-63.7-23.1-178.1-76.6-32.7000114.2
762F36.7Very low37.4Very low188 Ų188130.5 Ų130.583%0.82570%0.702SS**Hα-helixtrans-79.4-21.8-170.7-130-86.1000114D760D760-F762 PolarHBondContact O-N 3.1Å; D760-F762 VanDerWaalsContact O-N 3.17Å
763L41.5Very low37.5Very low131 Ų131128.3 Ų128.369%0.68669%0.687SS**Hα-helixtrans-93.5-28.4-178.6-63.8177.8000112.8A765L763-A765 PolarHBondContact O-N 3.02Å
764S41.8Very low38Very low87 Ų87129.8 Ų129.861%0.60869%0.689SS**Hα-helixtrans-66.1-21.1176.6-64.80000113.4
765A38.6Very low37.6Very low54 Ų54130.5 Ų130.545%0.44669%0.689SS.*THydrogen-bonded Turntrans-73.8-46.6178.400000113.3L763 L767 A768L763-A765 PolarHBondContact O-N 3.02Å; A765-L767 VanDerWaalsContact C-N 3.33Å; A765-L767 PolarHBondContact O-N 3.15Å; A765-A768 PolarHBondContact O-N 3.02Å
766D37.6Very low38Very low126 Ų126130.2 Ų130.267%0.67469%0.692SS**G310 helixtrans-70-27.7-171.4-98.3-15.6000113.3A768D766-A768 PolarHBondContact O-N 2.98Å
767L44.7Very low37.6Very low131 Ų131126.2 Ų126.269%0.68668%0.684SS**G310 helixtrans-67.1-23178.9-126.673.2000113.4A765A765-L767 VanDerWaalsContact C-N 3.33Å; A765-L767 PolarHBondContact O-N 3.15Å
768A37.1Very low37.8Very low72 Ų72127.6 Ų127.660%0.59569%0.692SS**G310 helixtrans-87.1-15.3-172.500000114.9A765 D766A765-A768 PolarHBondContact O-N 3.02Å; D766-A768 PolarHBondContact O-N 2.98Å
769W41Very low37.7Very low141 Ų141129.9 Ų129.953%0.53469%0.694SS.*SBendtrans-113.535.4-169.7-65.789.4000114.1K147K147-W769 PolarHBondContact NZ-O 2.66Å
770N37.7Very low37.7Very low105 Ų105128.6 Ų128.656%0.56170%0.695SS**SBendtrans-136.624.2177.6-158.166000113.9
771M38.9Very low37.9Very low130 Ų130131.9 Ų131.964%0.6471%0.706SS**  trans-129.752.2178.7-72.3-68.6150.300111.2
772E36.7Very low38.1Very low183 Ų183130.9 Ų130.986%0.85571%0.705SS**  trans-100.8108.5162.5-161.966.1-94.900107.5
773S33.2Very low38.1Very low80 Ų80126.5 Ų126.556%0.55970%0.696SS**  trans-89.4141.5-174.5-1690000110.6F775S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.87Å; S773-F775 WeakPolarHBondContact OG-CD2 3.38Å
774H38.8Very low37.9Very low189 Ų189129.1 Ų129.188%0.87571%0.705SS**  trans-73.876.8174.4-77.1-77.2000111.4
775F29.8Very low37.8Very low175 Ų175133.4 Ų133.477%0.76872%0.716SS**  trans-111.5122.9165.2-82.3-74000111.2S773 S777S773-F775 VanDerWaalsContact C-N 3.25Å; S773-F775 PolarHBondContact O-N 2.87Å; S773-F775 WeakPolarHBondContact OG-CD2 3.38Å; F775-S777 PolarHBondContact O-N 3.41Å; F775-S777 VanDerWaalsContact O-N 3.11Å
776S39.4Very low37.8Very low120 Ų120136.2 Ų136.284%0.83972%0.723SS**  trans-78.584.7174.5168.80000110.2
777S33.8Very low37.8Very low93 Ų93135.1 Ų135.165%0.6572%0.724SS**  trans-83.9116.6169.1-66.50000110.8F775 E779F775-S777 PolarHBondContact O-N 3.41Å; F775-S777 VanDerWaalsContact O-N 3.11Å; S777-E779 PolarHBondContact O-N 2.91Å
778V40.9Very low37.5Very low134 Ų134133.1 Ų133.181%0.81273%0.726SS**  trans-80.896.8164.4176.70000107.2
779E36.8Very low37.6Very low177 Ų177136.1 Ų136.183%0.82773%0.732SS**  trans-86.5134.9176.4-66.5-166.2129.400111.4S777S777-E779 PolarHBondContact O-N 2.91Å
780T33.8Very low37.5Very low120 Ų120138.3 Ų138.374%0.73675%0.745SS**  trans-83.7124.6-169.647.30000112.3T782T780-T782 PolarHBondContact O-N 2.89Å
781Q39.7Very low37.5Very low198 Ų198141.2 Ų141.293%0.92576%0.755SS**  trans-70.288.3178.5-175.2-1750.100112.5
782T41.5Very low37.3Very low115 Ų115144.6 Ų144.671%0.70677%0.769SS**  trans-152.1154.1168.740.40000111.7T780T780-T782 PolarHBondContact O-N 2.89Å
783C37.3Very low37.1Very low95 Ų95141.4 Ų141.464%0.64277%0.767SS**SBendtrans83.936.6164.9-57.90000120.3
784E37.2Very low37Very low187 Ų187145.8 Ų145.887%0.87478%0.784SS**SBendtrans-101.4-28.7151.3-113.5-179.4163.800112.9L786E784-L786 VanDerWaalsContact C-N 3.32Å; E784-L786 PolarHBondContact O-N 2.95Å
785E40.1Very low37Very low176 Ų176146 Ų14682%0.82278%0.783SS**THydrogen-bonded Turntrans-72.6-14.4-176.8-110.2178.6158.100115.5
786L38.4Very low37.8Very low113 Ų113143.6 Ų143.659%0.59279%0.785SS**THydrogen-bonded Turntrans-88.9-15.8-174.2-75.6171.2000114.7E784E784-L786 VanDerWaalsContact C-N 3.32Å; E784-L786 PolarHBondContact O-N 2.95Å
787C37.8Very low37.7Very low104 Ų104146 Ų14670%0.70379%0.788SS**G310 helixtrans-80.9-20.2177.4-69.40000113.3L789C787-L789 VanDerWaalsContact C-N 3.28Å; C787-L789 PolarHBondContact O-N 2.92Å
788A38.4Very low37.7Very low89 Ų89150.5 Ų150.574%0.73682%0.819SS**G310 helixtrans-73.8-14.1179.800000114.2
789L38.7Very low37.6Very low135 Ų135151.3 Ų151.371%0.70782%0.82SS**G310 helixtrans-93.2-3.2-173.7-84.4164000115.3C787C787-L789 VanDerWaalsContact C-N 3.28Å; C787-L789 PolarHBondContact O-N 2.92Å
790F38Very low37.6Very low187 Ų187149.9 Ų149.982%0.8282%0.819SS**SBendtrans-120.914.2-174.1-80.4-75.9000115.3
791Q37.8Very low37.8Very low166 Ų166151.6 Ų151.678%0.77682%0.824SS**SBendtrans-130.654.8177.2-66-167.66.900114
792H34.8Very low37.7Very low200 Ų200148.9 Ų148.993%0.92682%0.818SS**  trans-163.898.1156-92.4-50.8000111.7
793S32Very low37.5Very low117 Ų117151 Ų15182%0.81883%0.825SS**  trans-155.435.5167.974.50000115.5
794D31.5Very low37.5Very low172 Ų172154.7 Ų154.792%0.9284%0.837SS**  trans-74.8126.7163-77-51.8000109.9
795K39.8Very low37.5Very low194 Ų194152.4 Ų152.484%0.84384%0.835SS**  trans-108.8146.4173.3-86.2-176.7174.9177.30110.4
796P46.5Very low37.3Very low124 Ų124150.6 Ų150.681%0.80584%0.836SS**  trans-72.5162.2174.532.1-35.8000112.5
797N36.6Very low37.2Very low169 Ų169153.8 Ų153.890%0.90486%0.856SS**  trans-46.6145.6-177.7-61.3-26.1000115.9
798S34.5Very low37.1Very low188 Ų188158.3 Ų158.3100%1.31587%0.87SS**  trans-1490135.1-175.70000110.2

Retrieved 798 of 798 residues in 157.4 ms (Link to these results)