A0A077Z208_TRITR Loading...

Hint module family protein

AlphaFold DB , UniProt , Accession A0A077Z208, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M26.7Very low31.2Very low236 Ų236143.6 Ų143.6100%1.16384%0.844SS**  095.80-69.2177.2172.300105.2
2V31.6Very low31.9Very low146 Ų146142.3 Ų142.389%0.88584%0.839SS**  cis-128.4133.647.21730000109.3
3T24.1Very low31.8Very low138 Ų138147.6 Ų147.685%0.84785%0.845SS**  trans-114.7119.4-178.2-24.30000106.8
4A31.2Very low31.9Very low97 Ų97142 Ų14280%0.80284%0.836SS**  trans-157.399.2165.700000110.2
5C25Very low31.7Very low130 Ų130140.9 Ų140.988%0.87884%0.838SS**  trans-108.2126157-79.10000107.7
6K31.7Very low32Very low183 Ų183139.5 Ų139.580%0.79683%0.831SS**  trans179.4114.3150.6-123.4178.3176.9178.40108.8
7V37.2Very low31.7Very low146 Ų146140.6 Ų140.689%0.88583%0.832SS**  -160.9138.8115-159.20000106.9
8G33.5Very low31.9Very low73 Ų73140.8 Ų140.875%0.75383%0.828SS**PPolyproline II helixtrans-74.9144.6-160.200000117.3
9C30.8Very low31.7Very low78 Ų78138.8 Ų138.853%0.52782%0.822SS.*PPolyproline II helixtrans-82.4120.3163.9-98.50000108.5C30C9-C30 WeakPolarHBondContact CB-SG 3.35Å; C9-C30 WeakPolarHBondContact SG-CB 2.9Å; C9-C30 CovalentContact SG-SG 2.08Å; C9-C30 PolarHBondContact SG-SG 3.25Å
10L37.7Very low31.6Very low179 Ų179141.6 Ų141.694%0.93783%0.826SS**PPolyproline II helixtrans-69.9122.5178.9-79.5161.6000110.9
11Q34Very low31.6Very low174 Ų174138.8 Ų138.881%0.81382%0.82SS**  trans-105.5124.6158.1-76.5-173.1-1.900108.4
12T38.8Very low31.7Very low128 Ų128133.9 Ų133.979%0.78580%0.798SS**  151126.3124.246.70000113.1
13K31.1Very low32.5Very low211 Ų211130.2 Ų130.292%0.91777%0.773SS**  trans38.3112.9141-69.8-178.7173.6179.40118.7
14G33.3Very low33.4Very low69 Ų69131.4 Ų131.471%0.71177%0.766SS**  trans176.9102.6157.600000111.4T16G14-T16 PolarHBondContact O-N 3.12Å
15S29.4Very low34.2Very low125 Ų125133.9 Ų133.987%0.87477%0.766SS**  trans-56.6113.7165.9140.80000109
16T35.7Very low35.3Very low119 Ų119128.9 Ų128.973%0.7374%0.737SS**  trans-153121.7158.617.90000110.1G14 L18G14-T16 PolarHBondContact O-N 3.12Å; T16-L18 PolarHBondContact O-N 3.41Å
17D27.5Very low36.4Very low158 Ų158125.1 Ų125.185%0.84573%0.731SS**  trans-42.2117.1168.4-153.4-0.5000111.6
18L34.4Very low37.2Very low145 Ų145123.8 Ų123.876%0.75971%0.711SS**  trans-139.387.1174.8-82.8168.2000109.1T16T16-L18 PolarHBondContact O-N 3.41Å
19S29.6Very low38.4Very low102 Ų102124.3 Ų124.371%0.71370%0.696SS**SBendtrans-55.5140.1150.637.70000109.6
20E28.9Very low38.9Very low194 Ų194124.5 Ų124.591%0.90770%0.697SS**  trans58.861.8175-69.7-177.6135.100117.2N22E20-N22 PolarHBondContact O-N 3.23Å; E20-N22 VanDerWaalsContact O-N 3.09Å
21A30.8Very low39.2Very low84 Ų84121 Ų12169%0.69468%0.68SS**  trans-72.698.7157.400000110I23A21-I23 PolarHBondContact O-N 2.96Å; A21-I23 VanDerWaalsContact O-N 3.15Å
22N30Very low39.6Very low132 Ų132120.4 Ų120.471%0.70668%0.682SS**  trans-56.9116.1170.9-155-31.8000109E20 K24E20-N22 PolarHBondContact O-N 3.23Å; E20-N22 VanDerWaalsContact O-N 3.09Å; N22-K24 PolarHBondContact O-N 3.36Å
23I47.5Very low39.2Very low70 Ų70119.8 Ų119.836%0.35968%0.682SS.*G310 helixtrans-64.1-5.3-161.4-67.6176.9000113.7A21 D25 S243 R270A21-I23 PolarHBondContact O-N 2.96Å; A21-I23 VanDerWaalsContact O-N 3.15Å; I23-D25 PolarHBondContact O-N 2.83Å; I23-S243 WeakPolarHBondContact CD1-O 3.33Å; I23-R270 PolarHBondContact O-NH1 3.16Å; I23-R270 PolarHBondContact O-NH2 3.25Å
24K43.3Very low39.4Very low162 Ų162121.4 Ų121.470%0.70468%0.682SS**G310 helixtrans-61.3-27.2-179.2-72.3-173.1176.6179.70114.1N22 R270N22-K24 PolarHBondContact O-N 3.36Å; K24-R270 PolarHBondContact O-NH1 2.9Å
25D48.3Very low39.4Very low149 Ų149124 Ų12480%0.79768%0.684SS**G310 helixtrans-120.724.1-169.8-56.9-44.5000115.2I23I23-D25 PolarHBondContact O-N 2.83Å
26G48.4Very low39.4Very low26 Ų26123.3 Ų123.327%0.26868%0.679SS.*PPolyproline II helixtrans-59.8146.4178.300000113.6
27P54.7Low39.2Very low104 Ų104124.2 Ų124.268%0.67569%0.685SS**PPolyproline II helixtrans-63.8136.6-176.525.9-33.6000111.8R270P27-R270 PolarHBondContact O-N 3.09Å
28Y52.6Low39.5Very low118 Ų118123.3 Ų123.346%0.46369%0.685SS.*BIsolated β-bridgetrans-76.8128.3170.9-75-96.4000109.8R270Y28-R270 CarbonylContact C-O 3.6Å; Y28-R270 VanDerWaalsContact CA-O 3.23Å; Y28-R270 WeakPolarHBondContact CA-O 3.32Å; Y28-R270 HydrophobicContact CD1-CB 4.21Å; Y28-R270 HydrophobicContact CE1-CB 4.35Å
29L58.7Low39.3Very low84 Ų84123.2 Ų123.244%0.4469%0.691SS.*PPolyproline II helixtrans-77.6123.7170.6-68.7166.9000108.8V199 R270L29-V199 HydrophobicContact CD1-CB 3.95Å; L29-V199 HydrophobicContact CD1-CG1 4.19Å; L29-V199 HydrophobicContact CD1-CG2 4.26Å; L29-R270 PolarHBondContact N-O 3.21Å
30C41.8Very low39.5Very low81 Ų81124.1 Ų124.155%0.54770%0.697SS.*PPolyproline II helixtrans-76.1126.6172.2-55.30000109C9C9-C30 WeakPolarHBondContact CB-SG 3.35Å; C9-C30 WeakPolarHBondContact SG-CB 2.9Å; C9-C30 CovalentContact SG-SG 2.08Å; C9-C30 PolarHBondContact SG-SG 3.25Å
31D44.2Very low39.6Very low105 Ų105119.9 Ų119.956%0.56169%0.689SS**PPolyproline II helixtrans-64.9138.3169.8-82.3-29.3000109.9C33 K273D31-C33 PolarHBondContact O-N 2.99Å; D31-K273 WeakPolarHBondContact OD1-CE 3.45Å; D31-K273 IonicContact OD1-NZ 3.85Å; D31-K273 WeakPolarHBondContact OD2-CE 3.4Å
32D42.3Very low39.9Very low162 Ų162120.6 Ų120.687%0.86669%0.686SS**  trans-44.3123.6-172-94.5-37.4000115.3R34D32-R34 PolarHBondContact O-N 3.15Å; D32-R34 VanDerWaalsContact O-N 3.16Å
33C31.6Very low40.1Very low115 Ų115123.9 Ų123.978%0.77770%0.695SS**  trans-73.398.9161-69.60000109D31 V35D31-C33 PolarHBondContact O-N 2.99Å; C33-V35 PolarHBondContact O-N 3.49Å
34R35.4Very low39.4Very low246 Ų246129.3 Ų129.393%0.92872%0.719SS**  trans-63.499.5165.6-98.7-176.9173.9169.4-1.1109.5D32D32-R34 PolarHBondContact O-N 3.15Å; D32-R34 VanDerWaalsContact O-N 3.16Å
35V31.9Very low38.8Very low124 Ų124131 Ų13175%0.75273%0.726SS**  trans-81.3122.2163.9-177.30000107.9C33 T37C33-V35 PolarHBondContact O-N 3.49Å; V35-T37 PolarHBondContact O-N 3.13Å
36S29.3Very low38.1Very low110 Ų110130.8 Ų130.877%0.76973%0.725SS**  trans-60.2111.8174.5-43.10000110.1T38S36-T38 PolarHBondContact O-N 2.94Å
37T32.6Very low37.3Very low138 Ų138136.2 Ų136.285%0.84775%0.748SS**  trans-76.7109.8172.631.70000110.1V35V35-T37 PolarHBondContact O-N 3.13Å
38T33.2Very low36.4Very low138 Ų138142.9 Ų142.985%0.84776%0.759SS**  trans-82.8128.3163.237.20000110.4S36S36-T38 PolarHBondContact O-N 2.94Å
39T29.4Very low35.5Very low144 Ų144144.4 Ų144.488%0.88378%0.776SS**  trans-60.8125.6-177.3-38.90000114.1
40S35.4Very low34.6Very low120 Ų120144.1 Ų144.184%0.83978%0.779SS**  trans-162.4127.5142.956.50000110.1
41S31.4Very low34.1Very low106 Ų106146.9 Ų146.974%0.74179%0.788SS**  trans-115.7175.3-179.11390000107.8
42P36Very low33.6Very low99 Ų99148.3 Ų148.364%0.64380%0.8SS**  cis-132.5-174.8-37.437.6-20.5000111.2
43F33.9Very low33.1Very low201 Ų201145 Ų14588%0.88280%0.795SS**  trans143.5126.1161-87.6-75.5000105.8
44E32.9Very low33Very low184 Ų184146.5 Ų146.586%0.8679%0.794SS**  cis-164.6160.638.9-168.4165158.500110.3
45K31.6Very low32.8Very low196 Ų196142.3 Ų142.385%0.85279%0.79SS**  trans-72147.8-173.6-66.4164.4174.4171.10113.4
46D33Very low32.6Very low145 Ų145141.9 Ų141.978%0.77579%0.788SS**  -149.1133.9127.9-159.17.5000111.8
47N32.6Very low32.7Very low141 Ų141146.7 Ų146.775%0.75479%0.791SS**  trans-95.6130.6-177.1-97.2-25.5000108.9
48R34.5Very low32.6Very low243 Ų243148 Ų14892%0.91779%0.787SS**  trans-163118142.3-112173.2-96-159.1-0.6111.7
49N34.1Very low32.3Very low151 Ų151150.2 Ų150.281%0.80779%0.785SS**  trans-121.5-178.1171.8-155.821.7000105.7
50P39.2Very low32.4Very low77 Ų77149 Ų14950%0.578%0.779SS.*  cis-132.2-170.6-31.7169.6000112.4
51N31.6Very low32Very low139 Ų139149 Ų14974%0.74377%0.774SS**  trans95.6124.3150.2-49.8-50000117
52V34Very low32.1Very low136 Ų136148.7 Ų148.782%0.82478%0.779SS**  173.6136.792.7161.60000111.5
53A32.4Very low31.8Very low91 Ų91150.3 Ų150.375%0.75279%0.786SS**  trans66.7119.1150.300000123.4
54I28.7Very low31.8Very low148 Ų148145.7 Ų145.776%0.75978%0.777SS**  trans-73.1142.3153.1-64.1161.7000108.6
55D32Very low31.6Very low158 Ų158142.7 Ų142.785%0.84577%0.771SS**  trans-148.4118.1148.2-102.5-25.5000112
56T26.4Very low31.6Very low114 Ų114138.6 Ų138.670%0.69977%0.767SS**  trans-79.2133.916731.40000110.5
57Y31.5Very low31.5Very low212 Ų212139 Ų13983%0.83177%0.769SS**  trans-151.5154.3153.2-104.8-77.2000114.6
58Q31.8Very low31.3Very low166 Ų166137.3 Ų137.378%0.77677%0.767SS**  trans-84159.9-154.7-66.3152.2-61.200116.4
59K26.3Very low31.1Very low183 Ų183133.4 Ų133.480%0.79677%0.765SS**  trans-58.4154.1167.4-175.4-179.6178.5-1780113
60P31.3Very low30.9Very low119 Ų119131.8 Ų131.877%0.77376%0.762SS**  -137.6162.4122.618.53.1000116.3
61T27.3Very low30.4Very low119 Ų119132.7 Ų132.773%0.7378%0.776SS**  trans-67.1140.1-177.5-29.30000114.4
62A32.8Very low30.4Very low101 Ų101136.3 Ų136.384%0.83578%0.781SS**  trans-179.7146.5137.900000111.2
63V29.9Very low30Very low132 Ų132140.7 Ų140.780%0.878%0.783SS**  trans-133.6174-170174.40000105.5
64P34.9Very low30Very low105 Ų105143.5 Ų143.568%0.68278%0.784SS**  cis-126.3-176.9-23.823.7-1.5000113.3
65T27.6Very low29.9Very low120 Ų120144 Ų14474%0.73679%0.785SS**  137.3138.3111.5-30.30000114.7
66S32.3Very low29.8Very low110 Ų110142 Ų14277%0.76978%0.78SS**  trans85.2140.2164.9940000115
67L30.7Very low29.7Very low155 Ų155139.7 Ų139.781%0.81278%0.779SS**  cis-167.3148.50.7-165.565.7000107
68S29.1Very low29.6Very low104 Ų104138.8 Ų138.873%0.72778%0.78SS**  trans58.6109.8153.460.70000121.4
69D29.6Very low29.2Very low161 Ų161136.9 Ų136.986%0.86178%0.779SS**  -151.3129.3129.4-138.8-14.5000110.9
70P28.9Very low29.5Very low117 Ų117137.4 Ų137.476%0.7678%0.778SS**  trans-108.898-170.436-22.4000112.3
71A29.3Very low29.4Very low96 Ų96137 Ų13779%0.79378%0.775SS**  trans-164.371.116500000114.3
72Y31.1Very low29.3Very low215 Ų215138 Ų13884%0.84378%0.781SS**  trans-161.1110.5143-143.9-106.2000111.1I74Y72-I74 PolarHBondContact O-N 2.92Å; Y72-I74 VanDerWaalsContact O-N 3.15Å
73R27.1Very low29.1Very low229 Ų229137.2 Ų137.286%0.86477%0.77SS**  trans-72.1103.9171.2-76.2-174.4-178.6-165.11.1108.8M75R73-M75 PolarHBondContact O-N 3.29Å
74I31.6Very low29Very low150 Ų150141.3 Ų141.377%0.76977%0.772SS**  trans-70111.5161-59.9178000107.1Y72Y72-I74 PolarHBondContact O-N 2.92Å; Y72-I74 VanDerWaalsContact O-N 3.15Å
75M26.8Very low28.7Very low159 Ų159144.4 Ų144.478%0.78378%0.781SS**  trans-74.2134.1163.6-81-97.2128.500108.8R73R73-M75 PolarHBondContact O-N 3.29Å
76P28.8Very low28.8Very low115 Ų115141.8 Ų141.875%0.74778%0.778SS**  trans-80.7136.9-172.832.3-32.4000112.1
77G25.5Very low28.7Very low66 Ų66142.8 Ų142.868%0.6879%0.785SS**  trans48107.7137.800000120
78F28.4Very low28.6Very low192 Ų192138.6 Ų138.684%0.84278%0.78SS**  trans-122.5103.2143.2-108.7-97.9000108.7Y80F78-Y80 AromaticContact CD1-CD2 3.76Å; F78-Y80 HydrophobicContact CD1-CD2 3.76Å; F78-Y80 AromaticContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CE1-CD2 4.14Å; F78-Y80 AromaticContact CE1-CE2 3.64Å; F78-Y80 HydrophobicContact CE1-CE2 3.64Å
79V24.9Very low28.7Very low126 Ų126140 Ų14076%0.76478%0.783SS**  trans-100.5116.6172.7173.80000107.2
80Y30.9Very low28.8Very low195 Ų195141.8 Ų141.877%0.76578%0.783SS**  trans-145.5150.4162.2-75.1-66.3000112.7F78F78-Y80 AromaticContact CD1-CD2 3.76Å; F78-Y80 HydrophobicContact CD1-CD2 3.76Å; F78-Y80 AromaticContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CD1-CE2 3.62Å; F78-Y80 HydrophobicContact CE1-CD2 4.14Å; F78-Y80 AromaticContact CE1-CE2 3.64Å; F78-Y80 HydrophobicContact CE1-CE2 3.64Å
81P29.6Very low28.7Very low109 Ų109145.8 Ų145.871%0.70879%0.789SS**  trans-97.5155.6-132.935.7-35.7000115
82T24.6Very low28.8Very low142 Ų142149.5 Ų149.587%0.87180%0.795SS**  trans-69.3120.716953.90000111.8
83S28.9Very low28.8Very low84 Ų84144.1 Ų144.159%0.58779%0.786SS**  trans-167.8132.2154.450.10000105.6
84Y29Very low29Very low217 Ų217143.1 Ų143.185%0.85179%0.788SS**  -153.2132.457.5-88.5-94.6000112.4
85I28Very low28.9Very low171 Ų171141.6 Ų141.688%0.87779%0.786SS**  trans-66.4144.4155.7-67.6161.6000108.6
86G29.5Very low29.3Very low65 Ų65139.4 Ų139.467%0.6779%0.786SS**  trans163.283.5163.100000117
87S29.8Very low29.5Very low130 Ų130138.5 Ų138.591%0.90978%0.783SS**  57.4132.9128.2-550000122
88G30.3Very low30Very low68 Ų68141.3 Ų141.370%0.70179%0.792SS**  trans127.275131.400000119.7
89V29.9Very low30.2Very low132 Ų132143.5 Ų143.580%0.880%0.795SS**  trans29.3121.7133.2-1460000120.3
90K31.8Very low30.4Very low199 Ų199144.8 Ų144.887%0.86580%0.797SS**  162.7127.2105.4-85.1-174.5-176.9177.90112.9
91K27.3Very low30.5Very low202 Ų202143.5 Ų143.588%0.87880%0.802SS**  trans-65.6155.4168.4-77.2177.7172.5177.70111.3
92L31.4Very low30.6Very low174 Ų174145.4 Ų145.491%0.91181%0.806SS**  -169.9157118.8-92.8155.9000110.9
93P31.6Very low31.2Very low101 Ų101146.3 Ų146.366%0.65680%0.804SS**  trans-108.9169.8-152.541.4-34.6000113.4
94F30.8Very low31.4Very low208 Ų208148.1 Ų148.191%0.91281%0.814SS**  trans-152.2143.5151.7-115.4-84000113.1
95T28.7Very low31.4Very low118 Ų118142.2 Ų142.272%0.72481%0.81SS**  trans-69.1161.1-179.454.60000111
96S35Very low31.6Very low113 Ų113143.4 Ų143.479%0.7981%0.809SS**  -173.7148.569.254.90000114.2
97S33Very low31.9Very low97 Ų97146.5 Ų146.568%0.67882%0.815SS**  trans-21.8143.8162.5-144.70000120.6
98S36Very low31.9Very low125 Ų125145.9 Ų145.987%0.87481%0.81SS**  trans-141.2114144.7-42.70000109.2
99R33.4Very low32.4Very low237 Ų237148.5 Ų148.589%0.89482%0.818SS**  trans-80.8149.8176.8-81.3-176.4-166.8-1542.3111.6
100L29Very low32.7Very low154 Ų154149.2 Ų149.281%0.80682%0.817SS**  trans-55153.2172.5-66.3148.6000114.8
101L34.1Very low33Very low168 Ų168145.6 Ų145.688%0.8882%0.817SS**  trans-143.3114.8149.2-95.5150.6000109.5
102N31.7Very low33.3Very low148 Ų148147.6 Ų147.679%0.79182%0.819SS**  trans-88140.4167.9-85.5-23.9000109.6
103I36.1Very low33.4Very low162 Ų162143 Ų14383%0.83181%0.814SS**  trans-149.2145.8155.7-65.2-168.1000109.5
104P33.6Very low33.6Very low122 Ų122147 Ų14779%0.79282%0.823SS**  trans-114.6-176.6-137.742.9-34.5000117
105A29.1Very low33.9Very low93 Ų93143.2 Ų143.277%0.76982%0.817SS**  trans-78.4150.8178.600000115.7
106K32.6Very low34.6Very low196 Ų196142.7 Ų142.785%0.85281%0.814SS**  trans171145.1148.7-97.5174-175.5-178.30106
107T34.2Very low34.4Very low130 Ų130147.6 Ų147.680%0.79882%0.821SS**  cis-167.5157.730.1-2.40000109.3
108S31.3Very low34.5Very low116 Ų116153.5 Ų153.581%0.81183%0.829SS**  trans-63.5155.1179.660.80000116.2
109S39.6Very low34.6Very low123 Ų123155.3 Ų155.386%0.8683%0.829SS**  trans-147.4141.8138.561.90000112.1
110N36.1Very low34.8Very low148 Ų148150.6 Ų150.679%0.79183%0.831SS**  trans-64.8150.7-172.4-88.4-37.7000114.8
111S38.6Very low35.3Very low123 Ų123146.4 Ų146.486%0.8683%0.825SS**  trans-148.7123.2137.835.90000110.8
112R33.5Very low35.7Very low243 Ų243147.8 Ų147.892%0.91783%0.826SS**  trans-78.8142.5178.1-70.8172.4-179.9157.4-1.3109.8
113G34Very low35.7Very low78 Ų78146 Ų14680%0.80482%0.824SS**  trans-160104.916700000110.7
114H35Very low36Very low185 Ų185143 Ų14386%0.85682%0.824SS**  trans-46.3146172.1-101.1-94.7000113.1
115T36.8Very low36.1Very low128 Ų128144.7 Ų144.779%0.78583%0.826SS**  176.1112.6122.638.80000112.5
116T43.2Very low36.6Very low107 Ų107151.5 Ų151.566%0.65683%0.832SS**  trans30.3115.6138.160.90000120.9
117K31.7Very low36.9Very low216 Ų216151 Ų15194%0.93984%0.835SS**  trans-47124.9157.5-161.9178.4-173.9-176.20111.2
118R35.8Very low37Very low221 Ų221152.7 Ų152.783%0.83484%0.839SS**  trans-128.5130.7165.6-73-168-162.1164.85.8110.2
119D37.9Very low37.3Very low164 Ų164154.4 Ų154.488%0.87784%0.838SS**  trans-62.4140.7170.1-90.5-40.1000111.6G121D119-G121 PolarHBondContact O-N 2.76Å
120C37.6Very low37.1Very low138 Ų138154.8 Ų154.893%0.93284%0.838SS**  trans-83.694.3168.7-71.80000109.5
121G39.7Very low37.1Very low66 Ų66153.7 Ų153.768%0.6884%0.837SS**PPolyproline II helixtrans-70.9165168.800000114.1D119D119-G121 PolarHBondContact O-N 2.76Å
122Q41.6Very low36.9Very low196 Ų196152.8 Ų152.892%0.91683%0.83SS**PPolyproline II helixtrans-47.5141.7-173.4-67150-22.400115.6
123C32.3Very low36.9Very low110 Ų110149.1 Ų149.174%0.74383%0.828SS**PPolyproline II helixtrans-77.2120.6167.6-65.70000109.2
124A41.5Very low36.7Very low101 Ų101154.1 Ų154.184%0.83583%0.83SS**PPolyproline II helixtrans-81.9140.4172.300000111.2
125D35.7Very low36.5Very low156 Ų156149.1 Ų149.183%0.83482%0.816SS**PPolyproline II helixtrans-68.9152.9175.1-80.1-43.5000113.3
126R39.1Very low36.1Very low236 Ų236152.3 Ų152.389%0.89182%0.822SS**  trans74.2111.6166.4-70.8-179.4161.1-177.7-4.4117.9
127M39.8Very low35.8Very low186 Ų186156.7 Ų156.792%0.91683%0.828SS**  -162.7123.6111.4-101.2166-15800110.4
128N37.1Very low35.6Very low165 Ų165149.1 Ų149.188%0.88281%0.811SS**  trans-63.4130170.9-70.7-50.6000110.4
129L37.9Very low35.6Very low152 Ų152143.9 Ų143.980%0.79681%0.806SS**  trans-149.5125.9153.1-102.5129.2000108.5V131L129-V131 PolarHBondContact O-N 3.13Å; L129-V131 VanDerWaalsContact O-N 3.12Å
130P33.5Very low35.6Very low132 Ų132141 Ų14186%0.85779%0.794SS**  trans-77.6102.4-17930.6-30000109
131V37.4Very low35.5Very low125 Ų125139.1 Ų139.176%0.75878%0.783SS**  trans-86.5120.6164.9170.60000107.7L129 L133L129-V131 PolarHBondContact O-N 3.13Å; L129-V131 VanDerWaalsContact O-N 3.12Å; V131-L133 PolarHBondContact O-N 2.76Å
132S33.3Very low35.9Very low104 Ų104146.9 Ų146.973%0.72779%0.792SS**  trans-38124.3171.448.80000112.6Q134S132-Q134 PolarHBondContact O-N 3.29Å
133L34.2Very low36.5Very low166 Ų166139.8 Ų139.887%0.86976%0.76SS**  trans-57.6101.5168-87.3103.4000110V131V131-L133 PolarHBondContact O-N 2.76Å
134Q30.6Very low37.1Very low183 Ų183138.8 Ų138.886%0.85576%0.759SS**  trans-99.689.7142.9-85.4-179.1-14.700107.1S132 Q136S132-Q134 PolarHBondContact O-N 3.29Å; Q134-Q136 PolarHBondContact O-N 2.08Å
135S30.3Very low37.5Very low79 Ų79135.8 Ų135.855%0.55274%0.738SS**  trans-51.1102.7161.1169.40000109.1Y137S135-Y137 PolarHBondContact O-N 3.4Å; S135-Y137 VanDerWaalsContact O-N 3.13Å; S135-Y137 WeakPolarHBondContact OG-CB 3.44Å; S135-Y137 WeakPolarHBondContact OG-CD2 3.23Å; S135-Y137 PolarHBondContact OG-N 3.4Å
136Q29.1Very low38.8Very low195 Ų195128.7 Ų128.791%0.91170%0.701SS**  trans-76.840.5158.6-81.9-173.6-34.700110.4Q134 G138Q134-Q136 PolarHBondContact O-N 2.08Å; Q136-G138 PolarHBondContact O-N 3.05Å
137Y35.8Very low41Very low199 Ų199117.5 Ų117.578%0.7866%0.66SS**  trans-76.288.4157.8-83.2-99.5000107.3S135S135-Y137 PolarHBondContact O-N 3.4Å; S135-Y137 VanDerWaalsContact O-N 3.13Å; S135-Y137 WeakPolarHBondContact OG-CB 3.44Å; S135-Y137 WeakPolarHBondContact OG-CD2 3.23Å; S135-Y137 PolarHBondContact OG-N 3.4Å
138G28.1Very low43.7Very low57 Ų57108.6 Ų108.659%0.58862%0.616SS**  trans-56.1134158.500000107.7Q136 T140Q136-G138 PolarHBondContact O-N 3.05Å; G138-T140 PolarHBondContact O-N 2.82Å
139P34.7Very low46.5Very low111 Ų111100.8 Ų100.872%0.72157%0.574SS**  trans-53.8136.717825-32.3000107.1S141P139-S141 PolarHBondContact O-N 3.15Å
140T39Very low49.3Very low104 Ų10493.5 Ų93.564%0.63854%0.536SS*.  trans-46.8102.2161.449.50000105.4G138 R142G138-T140 PolarHBondContact O-N 2.82Å; T140-R142 PolarHBondContact O-N 2.87Å
141S36Very low52.3Low98 Ų9888 Ų8869%0.68550%0.5SS*.  trans-58.5102.6174.8-80.60000103.4P139 L143P139-S141 PolarHBondContact O-N 3.15Å; S141-L143 PolarHBondContact O-N 3.23Å
142R47Very low55.1Low230 Ų23084.6 Ų84.687%0.86848%0.478SS*.  trans-57.895163.1-64.1-170.6-161.5-178.65.6102.2T140 A144T140-R142 PolarHBondContact O-N 2.87Å; R142-A144 PolarHBondContact O-N 3.32Å
143L54.8Low58.2Low47 Ų4779.9 Ų79.925%0.24645%0.445CS..  trans-57.299.5174.2-77162.7000103.4S141 G145 T195 T211 V276S141-L143 PolarHBondContact O-N 3.23Å; L143-G145 PolarHBondContact O-N 3.09Å; L143-T195 HydrophobicContact CD1-CG2 4.24Å; L143-T211 HydrophobicContact CD1-CG2 4.46Å; L143-V276 HydrophobicContact CD1-CB 4.35Å; L143-V276 HydrophobicContact CD1-CG1 3.93Å; L143-V276 HydrophobicContact CD1-CG2 4.4Å
144A44Very low61.2Low89 Ų8975.6 Ų75.674%0.73642%0.42SS*.THydrogen-bonded Turntrans-61105.4-167.500000107.6R142R142-A144 PolarHBondContact O-N 3.32Å
145G50.4Low64.4Low37 Ų3766.9 Ų66.938%0.38138%0.379SS..THydrogen-bonded Turntrans94.324.5169.100000118.3L143L143-G145 PolarHBondContact O-N 3.09Å
146G63.1Low67.5Low7 Ų764.4 Ų64.47%0.07236%0.36CS..  trans-165.2131.9174.600000117.5C148 S297G146-C148 PolarHBondContact O-SG 3.16Å; G146-C148 VanDerWaalsContact O-SG 3.33Å; G146-S297 WeakPolarHBondContact CA-OG 3.35Å; G146-S297 PolarHBondContact N-OG 3.08Å
147G86Confident70.7Confident1 Ų156.8 Ų56.81%0.0133%0.325CS..  trans-75.4127.9169.600000107.5H214 S278 S297G147-H214 WeakPolarHBondContact CA-ND1 3.17Å; G147-H214 PolarHBondContact O-ND1 3.13Å; G147-S278 VanDerWaalsContact O-CB 3.27Å; G147-S278 WeakPolarHBondContact O-CB 3.28Å; G147-S278 PolarHBondContact O-OG 3.13Å; G147-S297 PolarHBondContact N-OG 3.22Å
148C94.9Very high73.3Confident0 Ų050 Ų500%032%0.315CS..  trans-120151.2-173.4-57.10000111.7G146 H188 L210 T211 H214 V276 F277G146-C148 PolarHBondContact O-SG 3.16Å; G146-C148 VanDerWaalsContact O-SG 3.33Å; C148-H188 PolarHBondContact SG-ND1 2.71Å; C148-L210 CarbonylContact O-C 3.54Å; C148-L210 VanDerWaalsContact O-CA 3.28Å; C148-L210 WeakPolarHBondContact O-CA 3.49Å; C148-T211 HydrophobicContact CB-CG2 3.75Å; C148-T211 PolarHBondContact N-OG1 2.98Å; C148-T211 PolarHBondContact O-N 3.11Å; C148-T211 PolarHBondContact O-OG1 3.45Å; C148-H214 PolarHBondContact N-ND1 2.85Å; C148-V276 HydrophobicContact CB-CB 3.84Å; C148-V276 HydrophobicContact CB-CG1 4.3Å; C148-F277 CarbonylContact C-O 3.53Å; C148-F277 WeakPolarHBondContact CA-O 3.27Å
149F96.4Very high76.3Confident0 Ų054.1 Ų54.10%032%0.324CS..EExtended strand (participates in β ladder)trans-99.7153.3166.4-57-76.4000109.8M153 M164 L208 L210 H214 F277 L286 V288 V293F149-M153 HydrophobicContact CB-CB 4.13Å; F149-M153 HydrophobicContact CB-CG 4Å; F149-M153 HydrophobicContact CD1-CG 4.45Å; F149-M164 HydrophobicContact CB-CE 3.75Å; F149-M164 HydrophobicContact CB-CG 4.2Å; F149-M164 HydrophobicContact CD1-CE 4.41Å; F149-M164 HydrophobicContact CD2-CE 3.62Å; F149-M164 HydrophobicContact CD2-SD 4.4Å; F149-M164 HydrophobicContact CE2-CE 4.3Å; F149-M164 HydrophobicContact CG-CE 3.67Å; F149-L208 HydrophobicContact CE1-CD1 4.41Å; F149-L210 HydrophobicContact CD1-CB 4.28Å; F149-H214 AromaticContact CD2-CE1 3.89Å; F149-H214 AromaticContact CE1-CE1 3.55Å; F149-H214 AromaticContact CE1-NE2 3.68Å; F149-H214 AromaticContact CE2-CE1 3.3Å; F149-H214 WeakPolarHBondContact CE2-CE1 3.13Å; F149-H214 AromaticContact CE2-NE2 3.82Å; F149-H214 AromaticContact CZ-CE1 3.09Å; F149-H214 WeakPolarHBondContact CZ-CE1 3.42Å; F149-H214 AromaticContact CZ-NE2 3.19Å; F149-H214 WeakPolarHBondContact CZ-NE2 3.38Å; F149-F277 PolarHBondContact N-O 3.37Å; F149-F277 PolarHBondContact O-N 2.98Å; F149-L286 HydrophobicContact CE2-CD2 4.07Å; F149-V288 HydrophobicContact CD1-CG1 4.2Å; F149-V288 HydrophobicContact CD1-CG2 4.37Å; F149-V288 HydrophobicContact CE1-CB 4.3Å; F149-V288 HydrophobicContact CE1-CG1 4.34Å; F149-V288 HydrophobicContact CE1-CG2 3.89Å; F149-V288 HydrophobicContact CE2-CG2 4.23Å; F149-V288 HydrophobicContact CZ-CG2 3.81Å; F149-V293 HydrophobicContact CE1-CG2 4Å; F149-V293 HydrophobicContact CZ-CB 4.43Å; F149-V293 HydrophobicContact CZ-CG2 3.62Å
150S96.6Very high79.1Confident0 Ų055.7 Ų55.70%032%0.316CS..EExtended strand (participates in β ladder)trans-74161.6170.961.10000111.7D152 M153 T209S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact O-N 3.33Å; S150-D152 VanDerWaalsContact O-N 3.13Å; S150-D152 PolarHBondContact OG-OD1 2.8Å; S150-M153 PolarHBondContact O-N 3.06Å; S150-T209 PolarHBondContact N-O 3.03Å; S150-T209 VanDerWaalsContact OG-CB 3.3Å; S150-T209 WeakPolarHBondContact OG-CB 3.37Å; S150-T209 VanDerWaalsContact OG-CG2 3.29Å; S150-T209 WeakPolarHBondContact OG-CG2 3.49Å
151S97Very high81.9Confident15 Ų1555.5 Ų55.511%0.10530%0.304CS..THydrogen-bonded Turntrans-55.8-30.2-177.3-56.40000115R163 M164 R274 G275 F277S151-R163 PolarHBondContact O-NH2 3.29Å; S151-M164 PolarHBondContact O-N 2.71Å; S151-R274 PolarHBondContact OG-O 2.95Å; S151-G275 WeakPolarHBondContact OG-CA 3.39Å; S151-F277 WeakPolarHBondContact OG-CE2 3.37Å
152D96.2Very high84.8Confident55 Ų5552 Ų5229%0.29428%0.277SS..THydrogen-bonded Turntrans-85.1-14.5-173.557.8-41.8000114.4S150 K273S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact O-N 3.33Å; S150-D152 VanDerWaalsContact O-N 3.13Å; S150-D152 PolarHBondContact OG-OD1 2.8Å; D152-K273 IonicContact OD1-NZ 2.74Å; D152-K273 IonicContact OD2-NZ 3.74Å; D152-K273 PolarHBondContact OD2-NZ 2.85Å
153M97.5Very high87.2Confident5 Ų544.8 Ų44.83%0.02525%0.249CC..  trans-60144.4173.6-67-54.49200111.4F149 S150 R163 M164 T209 V288 N289F149-M153 HydrophobicContact CB-CB 4.13Å; F149-M153 HydrophobicContact CB-CG 4Å; F149-M153 HydrophobicContact CD1-CG 4.45Å; S150-M153 PolarHBondContact O-N 3.06Å; M153-R163 CarbonylContact O-C 3.59Å; M153-R163 VanDerWaalsContact O-CA 3.32Å; M153-R163 WeakPolarHBondContact O-CA 3.47Å; M153-M164 HydrophobicContact CB-CB 4.45Å; M153-M164 HydrophobicContact CB-CE 3.87Å; M153-M164 PolarHBondContact O-N 2.95Å; M153-T209 WeakPolarHBondContact CG-O 3.5Å; M153-T209 PolarHBondContact SD-N 3.4Å; M153-V288 HydrophobicContact CB-CG1 3.64Å; M153-V288 HydrophobicContact CG-CG1 4.13Å; M153-V288 HydrophobicContact SD-CG1 4.31Å; M153-N289 WeakPolarHBondContact CE-ND2 3.44Å; M153-N289 PolarHBondContact SD-ND2 3.31Å; M153-N289 VanDerWaalsContact SD-ND2 3.35Å
154Q97.7Very high89.2Confident76 Ų7642.6 Ų42.636%0.35524%0.238SC..EExtended strand (participates in β ladder)trans-121.4143.7-175-54.9-173.810.400111.8Y161 K162 R163 V288 N289Q154-Y161 HydrophobicContact CB-CD1 4.39Å; Q154-K162 CarbonylContact C-O 3.56Å; Q154-K162 VanDerWaalsContact CA-O 3.26Å; Q154-K162 WeakPolarHBondContact CA-O 3.5Å; Q154-R163 HydrophobicContact CG-CG 4Å; Q154-V288 CarbonylContact O-C 3.6Å; Q154-V288 VanDerWaalsContact O-CA 3.3Å; Q154-V288 WeakPolarHBondContact O-CA 3.4Å; Q154-N289 WeakPolarHBondContact CB-OD1 3.25Å; Q154-N289 PolarHBondContact N-OD1 3.5Å; Q154-N289 PolarHBondContact O-N 2.89Å; Q154-N289 PolarHBondContact O-OD1 3.4Å
155V97.3Very high91.7Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-113.8146.6172.6-680000110L157 Y161 K162 M164 L167 V173 L286 V288V155-L157 HydrophobicContact CG2-CD1 3.73Å; V155-Y161 CarbonylContact O-C 3.57Å; V155-Y161 VanDerWaalsContact O-CA 3.31Å; V155-Y161 WeakPolarHBondContact O-CA 3.39Å; V155-K162 HydrophobicContact CG2-CB 4.36Å; V155-K162 PolarHBondContact N-O 2.99Å; V155-K162 PolarHBondContact O-N 2.9Å; V155-M164 HydrophobicContact CG1-CE 3.91Å; V155-M164 HydrophobicContact CG1-SD 4.13Å; V155-L167 HydrophobicContact CG2-CD1 3.68Å; V155-L167 HydrophobicContact CG2-CD2 4.05Å; V155-L167 HydrophobicContact CG2-CG 4.41Å; V155-V173 HydrophobicContact CB-CB 4.49Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 HydrophobicContact CG2-CG1 3.83Å; V155-L286 HydrophobicContact CG1-CD1 4Å; V155-L286 HydrophobicContact CG1-CD2 3.78Å; V155-L286 HydrophobicContact CG1-CG 3.97Å; V155-V288 HydrophobicContact CG1-CG2 4.13Å
156N95.8Very high94Very high27 Ų2743.2 Ų43.214%0.14422%0.217CC..EExtended strand (participates in β ladder)trans-87.3124.9176.2-168.5-18.3000110.2G158 Y161 V173 L174N156-G158 WeakPolarHBondContact OD1-CA 3.28Å; N156-G158 PolarHBondContact OD1-N 2.82Å; N156-Y161 HydrophobicContact CB-CD1 4.03Å; N156-Y161 HydrophobicContact CB-CE1 3.58Å; N156-Y161 PolarHBondContact ND2-OH 2.86Å; N156-V173 CarbonylContact O-C 3.53Å; N156-V173 WeakPolarHBondContact O-CA 3.29Å; N156-L174 HydrophobicContact CB-CB 4.11Å; N156-L174 HydrophobicContact CB-CD2 4.4Å; N156-L174 PolarHBondContact O-N 2.93Å
157L95.9Very high95.6Very high34 Ų3442.9 Ų42.918%0.17821%0.213CC..  trans-9915.6176.1-79.165.7000112.2V155 N159 R160 K162 D171 H172 V173V155-L157 HydrophobicContact CG2-CD1 3.73Å; L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 2.91Å; L157-R160 HydrophobicContact CB-CG 4.15Å; L157-R160 PolarHBondContact N-O 2.86Å; L157-K162 HydrophobicContact CD1-CB 3.66Å; L157-K162 HydrophobicContact CD2-CB 4.37Å; L157-K162 HydrophobicContact CD2-CD 4.07Å; L157-D171 HydrophobicContact CD2-CB 4.27Å; L157-H172 WeakPolarHBondContact CA-O 3.43Å; L157-H172 WeakPolarHBondContact CG-O 3.28Å; L157-V173 HydrophobicContact CD1-CG1 4.07Å; L157-V173 HydrophobicContact CG-CG1 4.44Å
158G91.7Very high96Very high56 Ų5646.2 Ų46.258%0.57723%0.231SC*.SBendtrans92.2-46.3-178.600000113.3N156N156-G158 WeakPolarHBondContact OD1-CA 3.28Å; N156-G158 PolarHBondContact OD1-N 2.82Å
159N89.7Confident96.1Very high144 Ų14451 Ų5177%0.7726%0.256SS*.SBendtrans-112-10.418067.6-15000114.3L157L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 2.91Å
160R95Very high96Very high144 Ų14452.6 Ų52.654%0.54327%0.273SS..  trans-156.7159.4-176.167.8-174.2-72-177.2-0.5110.3L157L157-R160 HydrophobicContact CB-CG 4.15Å; L157-R160 PolarHBondContact N-O 2.86Å
161Y96.7Very high96Very high101 Ų10154.2 Ų54.240%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-93.9151.4166.7-67.4-89.9000110.8Q154 V155 N156 D290Q154-Y161 HydrophobicContact CB-CD1 4.39Å; V155-Y161 CarbonylContact O-C 3.57Å; V155-Y161 VanDerWaalsContact O-CA 3.31Å; V155-Y161 WeakPolarHBondContact O-CA 3.39Å; N156-Y161 HydrophobicContact CB-CD1 4.03Å; N156-Y161 HydrophobicContact CB-CE1 3.58Å; N156-Y161 PolarHBondContact ND2-OH 2.86Å; Y161-D290 PolarHBondContact OH-OD1 2.9Å; Y161-D290 VanDerWaalsContact OH-OD1 3.09Å
162K97.6Very high96.1Very high25 Ų2558.5 Ų58.511%0.10930%0.299CS..EExtended strand (participates in β ladder)trans-134.4133.7174.1-159.1175.4-157.5-157.60109.1Q154 V155 L157 Q166 L167 N168 D171Q154-K162 CarbonylContact C-O 3.56Å; Q154-K162 VanDerWaalsContact CA-O 3.26Å; Q154-K162 WeakPolarHBondContact CA-O 3.5Å; V155-K162 HydrophobicContact CG2-CB 4.36Å; V155-K162 PolarHBondContact N-O 2.99Å; V155-K162 PolarHBondContact O-N 2.9Å; L157-K162 HydrophobicContact CD1-CB 3.66Å; L157-K162 HydrophobicContact CD2-CB 4.37Å; L157-K162 HydrophobicContact CD2-CD 4.07Å; K162-Q166 HydrophobicContact CD-CB 4.28Å; K162-Q166 WeakPolarHBondContact CE-O 3.41Å; K162-Q166 HydrophobicContact CG-CB 3.67Å; K162-Q166 PolarHBondContact NZ-O 3.33Å; K162-L167 HydrophobicContact CD-CD1 4.38Å; K162-N168 PolarHBondContact NZ-ND2 3.27Å; K162-D171 IonicContact NZ-OD1 2.85Å; K162-D171 IonicContact NZ-OD2 2.74Å; K162-D171 PolarHBondContact NZ-OD2 3.07Å
163R97.7Very high96.1Very high78 Ų7855.9 Ų55.929%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-68.4153.7174.2-71176.762.7-120.7-14.7110.5S151 M153 Q154 D165 Q166 L167S151-R163 PolarHBondContact O-NH2 3.29Å; M153-R163 CarbonylContact O-C 3.59Å; M153-R163 VanDerWaalsContact O-CA 3.32Å; M153-R163 WeakPolarHBondContact O-CA 3.47Å; Q154-R163 HydrophobicContact CG-CG 4Å; R163-D165 WeakPolarHBondContact CB-OD1 3.31Å; R163-D165 IonicContact CZ-OD1 3.83Å; R163-D165 VanDerWaalsContact CZ-OD1 3.3Å; R163-D165 IonicContact CZ-OD2 3.3Å; R163-D165 IonicContact NE-OD1 2.96Å; R163-D165 IonicContact NH1-OD1 3.76Å; R163-D165 PolarHBondContact NH1-OD1 3.39Å; R163-D165 IonicContact NH1-OD2 3.25Å; R163-D165 PolarHBondContact NH1-OD2 2.95Å; R163-D165 VanDerWaalsContact NH2-CG 3.3Å; R163-D165 IonicContact NH2-OD1 2.67Å; R163-D165 PolarHBondContact NH2-OD1 3.16Å; R163-D165 IonicContact NH2-OD2 3.47Å; R163-D165 PolarHBondContact NH2-OD2 3.17Å; R163-D165 PolarHBondContact O-N 3.1Å; R163-Q166 HydrophobicContact CB-CG 4.4Å; R163-Q166 CarbonylContact O-C 3.56Å; R163-Q166 WeakPolarHBondContact O-CA 3.47Å; R163-Q166 WeakPolarHBondContact O-CB 3.41Å; R163-Q166 PolarHBondContact O-N 3.27Å; R163-L167 PolarHBondContact O-N 3.43Å; R163-L167 VanDerWaalsContact O-N 3.1Å
164M96.5Very high96.1Very high0 Ų056.8 Ų56.80%029%0.29CS..G310 helixtrans-62.9-32.7-175.3-149.566.476.400111.9F149 S151 M153 V155 Q166 L167 F277 P279 L286 V288F149-M164 HydrophobicContact CB-CE 3.75Å; F149-M164 HydrophobicContact CB-CG 4.2Å; F149-M164 HydrophobicContact CD1-CE 4.41Å; F149-M164 HydrophobicContact CD2-CE 3.62Å; F149-M164 HydrophobicContact CD2-SD 4.4Å; F149-M164 HydrophobicContact CE2-CE 4.3Å; F149-M164 HydrophobicContact CG-CE 3.67Å; S151-M164 PolarHBondContact O-N 2.71Å; M153-M164 HydrophobicContact CB-CB 4.45Å; M153-M164 HydrophobicContact CB-CE 3.87Å; M153-M164 PolarHBondContact O-N 2.95Å; V155-M164 HydrophobicContact CG1-CE 3.91Å; V155-M164 HydrophobicContact CG1-SD 4.13Å; M164-Q166 VanDerWaalsContact C-N 3.28Å; M164-Q166 PolarHBondContact O-N 3.36Å; M164-L167 WeakPolarHBondContact O-CB 3.11Å; M164-L167 PolarHBondContact O-N 3.06Å; M164-L167 HydrophobicContact SD-CD2 3.77Å; M164-F277 HydrophobicContact CB-CB 4.15Å; M164-F277 HydrophobicContact CB-CD2 4.35Å; M164-F277 HydrophobicContact CB-CG 4.25Å; M164-F277 HydrophobicContact CG-CB 3.32Å; M164-F277 HydrophobicContact CG-CD2 4.4Å; M164-F277 HydrophobicContact CG-CG 3.91Å; M164-F277 WeakPolarHBondContact O-CD1 3.11Å; M164-P279 HydrophobicContact SD-CG 3.76Å; M164-L286 HydrophobicContact CE-CD2 4.4Å; M164-V288 HydrophobicContact CE-CG1 3.94Å; M164-V288 HydrophobicContact CE-CG2 3.91Å
165D96.6Very high95.9Very high45 Ų4553.1 Ų53.124%0.24127%0.273CS..G310 helixtrans-68.8-24.6174.464-9.3000114.2R163 R189 F277R163-D165 WeakPolarHBondContact CB-OD1 3.31Å; R163-D165 IonicContact CZ-OD1 3.83Å; R163-D165 VanDerWaalsContact CZ-OD1 3.3Å; R163-D165 IonicContact CZ-OD2 3.3Å; R163-D165 IonicContact NE-OD1 2.96Å; R163-D165 IonicContact NH1-OD1 3.76Å; R163-D165 PolarHBondContact NH1-OD1 3.39Å; R163-D165 IonicContact NH1-OD2 3.25Å; R163-D165 PolarHBondContact NH1-OD2 2.95Å; R163-D165 VanDerWaalsContact NH2-CG 3.3Å; R163-D165 IonicContact NH2-OD1 2.67Å; R163-D165 PolarHBondContact NH2-OD1 3.16Å; R163-D165 IonicContact NH2-OD2 3.47Å; R163-D165 PolarHBondContact NH2-OD2 3.17Å; R163-D165 PolarHBondContact O-N 3.1Å; D165-R189 PolarHBondContact O-NH2 2.8Å; D165-F277 VanDerWaalsContact CA-CZ 3.48Å; D165-F277 HydrophobicContact CB-CE1 4.24Å; D165-F277 HydrophobicContact CB-CE2 3.95Å; D165-F277 HydrophobicContact CB-CZ 3.6Å
166Q97.3Very high95.7Very high94 Ų9454.7 Ų54.744%0.43928%0.281SS..G310 helixtrans-90.8-14.7177.3-66.9168.1-10.200112.6K162 R163 M164K162-Q166 HydrophobicContact CD-CB 4.28Å; K162-Q166 WeakPolarHBondContact CE-O 3.41Å; K162-Q166 HydrophobicContact CG-CB 3.67Å; K162-Q166 PolarHBondContact NZ-O 3.33Å; R163-Q166 HydrophobicContact CB-CG 4.4Å; R163-Q166 CarbonylContact O-C 3.56Å; R163-Q166 WeakPolarHBondContact O-CA 3.47Å; R163-Q166 WeakPolarHBondContact O-CB 3.41Å; R163-Q166 PolarHBondContact O-N 3.27Å; M164-Q166 VanDerWaalsContact C-N 3.28Å; M164-Q166 PolarHBondContact O-N 3.36Å
167L96.8Very high95.3Very high0 Ų054.5 Ų54.50%028%0.283CS..  trans-64.3132.7-176.4-168.260.2000112.1V155 K162 R163 M164 D171 V173 V183 M186 R189 P279V155-L167 HydrophobicContact CG2-CD1 3.68Å; V155-L167 HydrophobicContact CG2-CD2 4.05Å; V155-L167 HydrophobicContact CG2-CG 4.41Å; K162-L167 HydrophobicContact CD-CD1 4.38Å; R163-L167 PolarHBondContact O-N 3.43Å; R163-L167 VanDerWaalsContact O-N 3.1Å; M164-L167 WeakPolarHBondContact O-CB 3.11Å; M164-L167 PolarHBondContact O-N 3.06Å; M164-L167 HydrophobicContact SD-CD2 3.77Å; L167-D171 HydrophobicContact CD1-CB 3.87Å; L167-V173 HydrophobicContact CD1-CG1 3.86Å; L167-V183 HydrophobicContact CD1-CG2 4.19Å; L167-V183 HydrophobicContact CD2-CG2 4.1Å; L167-V183 HydrophobicContact CG-CG2 4.25Å; L167-M186 HydrophobicContact CB-CE 4.46Å; L167-M186 HydrophobicContact CD2-CE 4.31Å; L167-M186 HydrophobicContact CG-CE 4.38Å; L167-R189 PolarHBondContact O-NH2 3.19Å; L167-P279 HydrophobicContact CD2-CB 3.8Å; L167-P279 HydrophobicContact CD2-CG 3.92Å
168N95.9Very high95Very high71 Ų7162.9 Ų62.938%0.3831%0.314SS..  trans-118.6152.9-179.6-66-42.3000111.2K162 G170 D171K162-N168 PolarHBondContact NZ-ND2 3.27Å; N168-G170 PolarHBondContact O-N 2.6Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 WeakPolarHBondContact O-CB 3.44Å; N168-D171 PolarHBondContact O-N 2.9Å
169L95.5Very high95.1Very high102 Ų10264.2 Ų64.253%0.53430%0.304SS..THydrogen-bonded Turntrans-59.1137.4167.3-56.5-175.9000109.3V183 M186L169-V183 HydrophobicContact CD2-CG1 4.03Å; L169-M186 HydrophobicContact CD2-CB 4.06Å
170G95.5Very high95.4Very high33 Ų3360.6 Ų60.634%0.3428%0.283SS..THydrogen-bonded Turntrans93.3-17.6-174.700000115N168 H172 M182 V183N168-G170 PolarHBondContact O-N 2.6Å; G170-H172 PolarHBondContact O-N 3.04Å; G170-H172 PolarHBondContact O-ND1 3.08Å; G170-M182 VanDerWaalsContact CA-CG 3.46Å; G170-V183 PolarHBondContact N-O 2.74Å; G170-V183 VanDerWaalsContact N-O 3.08Å
171D97.2Very high95.4Very high33 Ų3355 Ų5518%0.17626%0.264CS..  trans-63.1137.5172.8-71.8-21.1000109.4L157 K162 L167 N168 M182 V183L157-D171 HydrophobicContact CD2-CB 4.27Å; K162-D171 IonicContact NZ-OD1 2.85Å; K162-D171 IonicContact NZ-OD2 2.74Å; K162-D171 PolarHBondContact NZ-OD2 3.07Å; L167-D171 HydrophobicContact CD1-CB 3.87Å; N168-D171 PolarHBondContact N-OD2 2.95Å; N168-D171 WeakPolarHBondContact O-CB 3.44Å; N168-D171 PolarHBondContact O-N 2.9Å; D171-M182 CarbonylContact O-C 3.51Å; D171-M182 WeakPolarHBondContact O-CA 3.1Å; D171-V183 PolarHBondContact O-N 3.42Å
172H97.4Very high95.3Very high105 Ų10553.8 Ų53.849%0.48626%0.262SS..EExtended strand (participates in β ladder)trans-94.1118.2175-71.860000109.1L157 G170 M180 Q181L157-H172 WeakPolarHBondContact CA-O 3.43Å; L157-H172 WeakPolarHBondContact CG-O 3.28Å; G170-H172 PolarHBondContact O-N 3.04Å; G170-H172 PolarHBondContact O-ND1 3.08Å; H172-M180 WeakPolarHBondContact O-CE 3.28Å; H172-Q181 CarbonylContact C-O 3.56Å; H172-Q181 VanDerWaalsContact CA-O 3.3Å; H172-Q181 WeakPolarHBondContact CA-O 2.97Å
173V97.4Very high95.2Very high0 Ų052.7 Ų52.70%026%0.257CS..EExtended strand (participates in β ladder)trans-116.9151.8-174.9-64.40000110.6V155 N156 L157 L167 V175 M180 Q181 V183 T281 L286V155-V173 HydrophobicContact CB-CB 4.49Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 HydrophobicContact CG2-CG1 3.83Å; N156-V173 CarbonylContact O-C 3.53Å; N156-V173 WeakPolarHBondContact O-CA 3.29Å; L157-V173 HydrophobicContact CD1-CG1 4.07Å; L157-V173 HydrophobicContact CG-CG1 4.44Å; L167-V173 HydrophobicContact CD1-CG1 3.86Å; V173-V175 HydrophobicContact CG2-CG1 4.16Å; V173-V175 PolarHBondContact O-N 3.14Å; V173-M180 CarbonylContact O-C 3.55Å; V173-M180 WeakPolarHBondContact O-CA 3.3Å; V173-Q181 WeakPolarHBondContact CG2-O 3.43Å; V173-Q181 PolarHBondContact N-O 3.47Å; V173-Q181 PolarHBondContact O-N 3.24Å; V173-V183 HydrophobicContact CB-CG2 4.48Å; V173-V183 HydrophobicContact CG1-CG2 3.82Å; V173-V183 HydrophobicContact CG2-CG2 3.78Å; V173-T281 HydrophobicContact CG2-CG2 3.85Å; V173-L286 HydrophobicContact CB-CD1 3.86Å; V173-L286 HydrophobicContact CG2-CD1 3.36Å
174L96.1Very high94.9Very high24 Ų2449.9 Ų49.913%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-68.3126174-16670.9000109.1N156 D176 M180 L254 V287N156-L174 HydrophobicContact CB-CB 4.11Å; N156-L174 HydrophobicContact CB-CD2 4.4Å; N156-L174 PolarHBondContact O-N 2.93Å; L174-D176 WeakPolarHBondContact CD1-O 3.41Å; L174-D176 VanDerWaalsContact CG-O 3.28Å; L174-D176 WeakPolarHBondContact CG-O 3.26Å; L174-M180 VanDerWaalsContact CA-SD 3.53Å; L174-M180 HydrophobicContact CB-CE 4.5Å; L174-M180 HydrophobicContact CB-SD 3.8Å; L174-M180 HydrophobicContact CD1-SD 3.52Å; L174-M180 VanDerWaalsContact CD1-SD 3.52Å; L174-M180 HydrophobicContact CG-SD 4.28Å; L174-L254 HydrophobicContact CD2-CD1 3.77Å; L174-L254 HydrophobicContact CG-CD1 4.34Å; L174-V287 HydrophobicContact CB-CB 4.19Å; L174-V287 HydrophobicContact CB-CG2 4.31Å; L174-V287 HydrophobicContact CD2-CB 4.18Å; L174-V287 HydrophobicContact CD2-CG1 4.18Å; L174-V287 HydrophobicContact CD2-CG2 4.13Å; L174-V287 HydrophobicContact CG-CB 4.27Å; L174-V287 HydrophobicContact CG-CG2 3.98Å; L174-V287 WeakPolarHBondContact O-CB 3.45Å; L174-V287 PolarHBondContact O-N 3.34Å
175V94.5Very high94.6Very high0 Ų051.6 Ų51.60%026%0.259CS..EExtended strand (participates in β ladder)trans-121.2-8.4-178-63.20000113.1V173 K179 Q181 T281 Q283 T285 F292V173-V175 HydrophobicContact CG2-CG1 4.16Å; V173-V175 PolarHBondContact O-N 3.14Å; V175-K179 HydrophobicContact CG2-CB 4.12Å; V175-K179 HydrophobicContact CG2-CD 4.45Å; V175-K179 HydrophobicContact CG2-CG 4.09Å; V175-K179 VanDerWaalsContact CG2-O 3.29Å; V175-K179 WeakPolarHBondContact CG2-O 3.46Å; V175-K179 PolarHBondContact N-O 2.03Å; V175-Q181 HydrophobicContact CG1-CB 3.93Å; V175-Q181 HydrophobicContact CG1-CG 4.5Å; V175-Q181 HydrophobicContact CG2-CB 4Å; V175-Q181 HydrophobicContact CG2-CG 3.68Å; V175-T281 HydrophobicContact CG1-CG2 3.66Å; V175-Q283 HydrophobicContact CG2-CB 4.45Å; V175-T285 VanDerWaalsContact CG1-O 3.25Å; V175-T285 WeakPolarHBondContact CG1-O 3.28Å; V175-T285 PolarHBondContact O-OG1 2.82Å; V175-F292 VanDerWaalsContact O-CE2 3.29Å; V175-F292 WeakPolarHBondContact O-CE2 3.42Å
176D92.1Very high94.3Very high33 Ų3350.8 Ų50.818%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-161.8172.1-178.8-155.2-32.9000107.9L174 Y178 K179 L231 Q283L174-D176 WeakPolarHBondContact CD1-O 3.41Å; L174-D176 VanDerWaalsContact CG-O 3.28Å; L174-D176 WeakPolarHBondContact CG-O 3.26Å; D176-Y178 PolarHBondContact O-N 3.48Å; D176-Y178 VanDerWaalsContact O-N 3.08Å; D176-K179 HydrophobicContact CB-CB 3.72Å; D176-K179 PolarHBondContact O-N 2.93Å; D176-L231 WeakPolarHBondContact OD1-CD1 3.46Å; D176-Q283 PolarHBondContact OD2-NE2 3.47Å
177A89.3Confident93.9Very high22 Ų2248.2 Ų48.218%0.18224%0.243CC..THydrogen-bonded Turntrans-49.2-39.3-178.200000114.2L254 V260A177-L254 HydrophobicContact CB-CD2 3.85Å; A177-V260 HydrophobicContact CB-CG2 3.6Å
178Y88.4Confident93.6Very high210 Ų21049.9 Ų49.982%0.82425%0.25SS*.THydrogen-bonded Turntrans-131.719.2-174.1-50.9-68.7000113.4D176D176-Y178 PolarHBondContact O-N 3.48Å; D176-Y178 VanDerWaalsContact O-N 3.08Å
179K93.6Very high93.4Very high85 Ų8552.9 Ų52.937%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-128123.1-170.9-162.6172174.7-157.40111.6V175 D176V175-K179 HydrophobicContact CG2-CB 4.12Å; V175-K179 HydrophobicContact CG2-CD 4.45Å; V175-K179 HydrophobicContact CG2-CG 4.09Å; V175-K179 VanDerWaalsContact CG2-O 3.29Å; V175-K179 WeakPolarHBondContact CG2-O 3.46Å; V175-K179 PolarHBondContact N-O 2.03Å; D176-K179 HydrophobicContact CB-CB 3.72Å; D176-K179 PolarHBondContact O-N 2.93Å
180M95.8Very high93.4Very high68 Ų6851.5 Ų51.534%0.33525%0.25SC..EExtended strand (participates in β ladder)trans-102138.3172.3-59-60.9-67.800109.5H172 V173 L174H172-M180 WeakPolarHBondContact O-CE 3.28Å; V173-M180 CarbonylContact O-C 3.55Å; V173-M180 WeakPolarHBondContact O-CA 3.3Å; L174-M180 VanDerWaalsContact CA-SD 3.53Å; L174-M180 HydrophobicContact CB-CE 4.5Å; L174-M180 HydrophobicContact CB-SD 3.8Å; L174-M180 HydrophobicContact CD1-SD 3.52Å; L174-M180 VanDerWaalsContact CD1-SD 3.52Å; L174-M180 HydrophobicContact CG-SD 4.28Å
181Q95.4Very high93.3Very high27 Ų2753.6 Ų53.613%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-139.2153.5173.4-71.7-170.928.800112.1H172 V173 V175H172-Q181 CarbonylContact C-O 3.56Å; H172-Q181 VanDerWaalsContact CA-O 3.3Å; H172-Q181 WeakPolarHBondContact CA-O 2.97Å; V173-Q181 WeakPolarHBondContact CG2-O 3.43Å; V173-Q181 PolarHBondContact N-O 3.47Å; V173-Q181 PolarHBondContact O-N 3.24Å; V175-Q181 HydrophobicContact CG1-CB 3.93Å; V175-Q181 HydrophobicContact CG1-CG 4.5Å; V175-Q181 HydrophobicContact CG2-CB 4Å; V175-Q181 HydrophobicContact CG2-CG 3.68Å
182M95.8Very high93.1Very high75 Ų7556.5 Ų56.537%0.36928%0.28SS..EExtended strand (participates in β ladder)trans-68.4138.5175.3-16917970.500111.2G170 D171 D184G170-M182 VanDerWaalsContact CA-CG 3.46Å; D171-M182 CarbonylContact O-C 3.51Å; D171-M182 WeakPolarHBondContact O-CA 3.1Å; M182-D184 WeakPolarHBondContact CE-OD1 3.27Å; M182-D184 PolarHBondContact O-N 2.97Å
183V95.6Very high92.9Very high1 Ų153.6 Ų53.61%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-69.7108.3163.6-178.20000108.3L167 L169 G170 D171 V173 M186 P279L167-V183 HydrophobicContact CD1-CG2 4.19Å; L167-V183 HydrophobicContact CD2-CG2 4.1Å; L167-V183 HydrophobicContact CG-CG2 4.25Å; L169-V183 HydrophobicContact CD2-CG1 4.03Å; G170-V183 PolarHBondContact N-O 2.74Å; G170-V183 VanDerWaalsContact N-O 3.08Å; D171-V183 PolarHBondContact O-N 3.42Å; V173-V183 HydrophobicContact CB-CG2 4.48Å; V173-V183 HydrophobicContact CG1-CG2 3.82Å; V173-V183 HydrophobicContact CG2-CG2 3.78Å; V183-M186 HydrophobicContact CG1-CE 4.47Å; V183-P279 HydrophobicContact CG1-CB 3.85Å
184D90.6Very high92.7Very high19 Ų1957.5 Ų57.510%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-82-42.5-172.2-78.7-47.4000112.5M182 V280 S282 K313M182-D184 WeakPolarHBondContact CE-OD1 3.27Å; M182-D184 PolarHBondContact O-N 2.97Å; D184-V280 PolarHBondContact N-O 2.99Å; D184-S282 WeakPolarHBondContact OD2-CB 3.23Å; D184-S282 PolarHBondContact OD2-N 2.76Å; D184-S282 VanDerWaalsContact OD2-N 3.08Å; D184-S282 PolarHBondContact OD2-OG 2.77Å; D184-K313 IonicContact OD1-NZ 3.08Å; D184-K313 PolarHBondContact OD1-NZ 3.22Å; D184-K313 IonicContact OD2-NZ 3.88Å; D184-K313 PolarHBondContact OD2-NZ 3.5Å
185T90Very high92.6Very high36 Ų3657.4 Ų57.422%0.22129%0.288CS..EExtended strand (participates in β ladder)trans-148.8171.6178-165.30000110.5V280 H309T185-V280 HydrophobicContact CG2-CB 3.74Å; T185-V280 HydrophobicContact CG2-CG1 4.4Å; T185-V280 HydrophobicContact CG2-CG2 4.02Å; T185-V280 PolarHBondContact N-O 3.48Å; T185-V280 PolarHBondContact O-N 3.49Å; T185-H309 WeakPolarHBondContact CG2-CE1 3.31Å
186M90.1Very high92.6Very high29 Ų2959.2 Ų59.214%0.14330%0.298CS..EExtended strand (participates in β ladder)trans-134.4101.3177.9-172.674.967.400107.1L167 L169 V183 H188 R189 F277 S278 P279L167-M186 HydrophobicContact CB-CE 4.46Å; L167-M186 HydrophobicContact CD2-CE 4.31Å; L167-M186 HydrophobicContact CG-CE 4.38Å; L169-M186 HydrophobicContact CD2-CB 4.06Å; V183-M186 HydrophobicContact CG1-CE 4.47Å; M186-H188 VanDerWaalsContact C-N 3.33Å; M186-H188 VanDerWaalsContact CG-O 3.29Å; M186-H188 WeakPolarHBondContact CG-O 3.28Å; M186-H188 PolarHBondContact O-N 2.72Å; M186-R189 HydrophobicContact CG-CB 3.77Å; M186-R189 HydrophobicContact CG-CG 4.37Å; M186-F277 HydrophobicContact SD-CB 4.45Å; M186-S278 CarbonylContact C-O 3.56Å; M186-S278 WeakPolarHBondContact CA-O 3.29Å; M186-S278 VanDerWaalsContact SD-C 3.53Å; M186-P279 HydrophobicContact CE-CB 3.78Å; M186-P279 WeakPolarHBondContact SD-CA 3.36Å; M186-P279 HydrophobicContact SD-CB 3.76Å; M186-P279 HydrophobicContact SD-CG 4.34Å
187I88.4Confident92.8Very high39 Ų3957.7 Ų57.720%0.229%0.29CS..EExtended strand (participates in β ladder)trans-61.8-44.7-175.4-66.7170.8000110S278 V280 F296I187-S278 PolarHBondContact N-O 3.27Å; I187-V280 HydrophobicContact CD1-CG2 3.51Å; I187-V280 HydrophobicContact CG1-CG2 3.69Å; I187-F296 HydrophobicContact CD1-CD1 4.43Å; I187-F296 HydrophobicContact CD1-CE1 4.37Å
188H90.4Very high93.1Very high35 Ų3556.9 Ų56.916%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-124.5132.3174.8-67.9149.5000110.2C148 M186 V276 F277 S278C148-H188 PolarHBondContact SG-ND1 2.71Å; M186-H188 VanDerWaalsContact C-N 3.33Å; M186-H188 VanDerWaalsContact CG-O 3.29Å; M186-H188 WeakPolarHBondContact CG-O 3.28Å; M186-H188 PolarHBondContact O-N 2.72Å; H188-V276 HydrophobicContact CB-CG2 4.36Å; H188-F277 CarbonylContact O-C 3.57Å; H188-F277 VanDerWaalsContact O-CA 3.27Å; H188-F277 WeakPolarHBondContact O-CA 3.32Å; H188-S278 PolarHBondContact O-N 2.95Å
189R93.2Very high93.6Very high134 Ų13447.4 Ų47.451%0.50625%0.246SC..EExtended strand (participates in β ladder)trans-144.690.6169.2-166.6-178.3-169.8179.47.3109.8D165 L167 M186 F277D165-R189 PolarHBondContact O-NH2 2.8Å; L167-R189 PolarHBondContact O-NH2 3.19Å; M186-R189 HydrophobicContact CG-CB 3.77Å; M186-R189 HydrophobicContact CG-CG 4.37Å; R189-F277 HydrophobicContact CG-CD1 3.79Å; R189-F277 HydrophobicContact CG-CE1 3.57Å
190N94.4Very high93.8Very high74 Ų7443.4 Ų43.440%0.39623%0.229SC..EExtended strand (participates in β ladder)trans-135.3102.3174.8-174.4-20.6000109.1S192 V193 G275 V276N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact OD1-N 2.8Å; N190-V193 HydrophobicContact CB-CB 4.49Å; N190-V193 HydrophobicContact CB-CG1 4.02Å; N190-V193 PolarHBondContact OD1-N 3.03Å; N190-G275 CarbonylContact O-C 3.43Å; N190-G275 WeakPolarHBondContact O-CA 3.26Å; N190-V276 HydrophobicContact CB-CG2 4.09Å; N190-V276 PolarHBondContact N-O 2.88Å; N190-V276 PolarHBondContact O-N 3.21Å
191P94.8Very high94Very high76 Ų7641.4 Ų41.449%0.49422%0.221SC..EExtended strand (participates in β ladder)trans-71.7-15.9-179.328.8-34.5000113.6F277P191-F277 HydrophobicContact CB-CZ 4.06Å
192S93.1Very high94.1Very high95 Ų9540.4 Ų40.466%0.66422%0.216SC*.EExtended strand (participates in β ladder)trans-96.1-20.5-170.5-57.60000113.8N190N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact OD1-N 2.8Å
193V92.3Very high94.2Very high44 Ų4443.5 Ų43.527%0.26723%0.23SC..EExtended strand (participates in β ladder)trans-73136.6-177.371.40000111.3N190 R274 G275 V276N190-V193 HydrophobicContact CB-CB 4.49Å; N190-V193 HydrophobicContact CB-CG1 4.02Å; N190-V193 PolarHBondContact OD1-N 3.03Å; V193-R274 CarbonylContact O-C 3.55Å; V193-R274 WeakPolarHBondContact O-CA 3.27Å; V193-G275 PolarHBondContact O-N 2.88Å; V193-V276 HydrophobicContact CG1-CB 4.09Å; V193-V276 HydrophobicContact CG1-CG1 3.72Å; V193-V276 HydrophobicContact CG1-CG2 3.42Å; V193-V276 VanDerWaalsContact CG1-CG2 3.42Å
194E94.1Very high94.2Very high82 Ų8245.9 Ų45.938%0.38325%0.246SC..EExtended strand (participates in β ladder)trans-91.1134.5168.3-78.2-177.3-174.600110.1R272 K273 R274E194-R272 HydrophobicContact CB-CG 4.49Å; E194-R272 IonicContact OE2-NE 3.79Å; E194-K273 WeakPolarHBondContact CA-O 3.19Å; E194-R274 HydrophobicContact CG-CG 3.42Å; E194-R274 VanDerWaalsContact CG-CG 3.42Å; E194-R274 IonicContact OE1-CZ 3.84Å; E194-R274 VanDerWaalsContact OE1-CZ 3.27Å; E194-R274 IonicContact OE1-NH1 3.27Å; E194-R274 PolarHBondContact OE1-NH1 3.11Å; E194-R274 IonicContact OE1-NH2 2.77Å
195T92Very high94.4Very high21 Ų2151.5 Ų51.513%0.12928%0.277CS..EExtended strand (participates in β ladder)trans-142.2147-176.4-62.20000109.8L143 F197 T211 R272 K273 V276L143-T195 HydrophobicContact CD1-CG2 4.24Å; T195-F197 HydrophobicContact CG2-CE2 4.25Å; T195-F197 HydrophobicContact CG2-CZ 4.33Å; T195-F197 WeakPolarHBondContact O-CD2 3.36Å; T195-F197 WeakPolarHBondContact O-CE2 3.4Å; T195-T211 HydrophobicContact CG2-CG2 4.04Å; T195-R272 WeakPolarHBondContact O-CA 3.49Å; T195-K273 PolarHBondContact N-O 3.44Å; T195-K273 PolarHBondContact O-N 3.09Å; T195-V276 HydrophobicContact CG2-CG1 4.15Å; T195-V276 WeakPolarHBondContact OG1-CG1 3.4Å
196D95Very high94.8Very high38 Ų3851.8 Ų51.820%0.20327%0.274CS..EExtended strand (participates in β ladder)trans-79.6125.7172.2-58.5-44.4000109.1R272D196-R272 WeakPolarHBondContact OD1-CD 3.4Å; D196-R272 WeakPolarHBondContact OD1-CG 3.09Å; D196-R272 IonicContact OD1-CZ 2.76Å; D196-R272 IonicContact OD1-NH1 2.82Å; D196-R272 PolarHBondContact OD1-NH1 3.21Å; D196-R272 IonicContact OD2-NH1 2.95Å; D196-R272 PolarHBondContact OD2-NH1 2.85Å
197F96.9Very high95.1Very high2 Ų252.2 Ų52.21%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-114.6152.3178.5-66.4-92000109.9T195 T209 L210 T211 R270 V271 K273 G275 V276T195-F197 HydrophobicContact CG2-CE2 4.25Å; T195-F197 HydrophobicContact CG2-CZ 4.33Å; T195-F197 WeakPolarHBondContact O-CD2 3.36Å; T195-F197 WeakPolarHBondContact O-CE2 3.4Å; F197-T209 HydrophobicContact CB-CG2 3.46Å; F197-T209 VanDerWaalsContact CB-CG2 3.46Å; F197-T209 HydrophobicContact CD1-CG2 4.06Å; F197-T209 HydrophobicContact CD2-CG2 4.49Å; F197-T209 HydrophobicContact CG-CG2 3.78Å; F197-L210 CarbonylContact C-O 3.58Å; F197-L210 WeakPolarHBondContact CA-O 3.33Å; F197-L210 VanDerWaalsContact CD1-C 3.4Å; F197-T211 HydrophobicContact CD1-CG2 4.3Å; F197-T211 HydrophobicContact CE1-CG2 4.04Å; F197-R270 CarbonylContact O-C 3.58Å; F197-R270 VanDerWaalsContact O-CA 3.31Å; F197-R270 WeakPolarHBondContact O-CA 3.3Å; F197-V271 HydrophobicContact CB-CG1 4.08Å; F197-V271 PolarHBondContact N-O 2.87Å; F197-V271 PolarHBondContact O-N 2.88Å; F197-K273 HydrophobicContact CD2-CB 3.87Å; F197-K273 HydrophobicContact CE2-CB 3.94Å; F197-G275 WeakPolarHBondContact CZ-O 3.38Å; F197-V276 HydrophobicContact CZ-CG1 3.88Å
198I96.6Very high95.6Very high4 Ų450.5 Ų50.52%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-88.4138.1161.3-62.5-177.6000107.5L200 T209 L210 P212 A242 V268 G269I198-L200 HydrophobicContact CG2-CD2 3.61Å; I198-L200 HydrophobicContact CG2-CG 4.18Å; I198-T209 WeakPolarHBondContact O-CA 3.26Å; I198-L210 PolarHBondContact N-O 3.28Å; I198-L210 PolarHBondContact O-N 3.47Å; I198-P212 HydrophobicContact CD1-CB 4Å; I198-P212 HydrophobicContact CD1-CG 4.24Å; I198-P212 HydrophobicContact CG1-CB 4.45Å; I198-P212 HydrophobicContact CG1-CG 4.16Å; I198-A242 HydrophobicContact CD1-CB 4.48Å; I198-V268 HydrophobicContact CG2-CG1 4.02Å; I198-G269 WeakPolarHBondContact CA-O 3.27Å
199V98Very high95.9Very high11 Ų1148.9 Ų48.97%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-111.2116.8172.6-173.10000108L29 S207 L208 T209 G269 V271L29-V199 HydrophobicContact CD1-CB 3.95Å; L29-V199 HydrophobicContact CD1-CG1 4.19Å; L29-V199 HydrophobicContact CD1-CG2 4.26Å; V199-S207 WeakPolarHBondContact CG1-OG 3.49Å; V199-L208 WeakPolarHBondContact CA-O 3.08Å; V199-T209 HydrophobicContact CG2-CG2 4.21Å; V199-G269 PolarHBondContact N-O 3.04Å; V199-G269 PolarHBondContact O-N 3.05Å; V199-V271 HydrophobicContact CG2-CB 3.87Å; V199-V271 HydrophobicContact CG2-CG1 3.32Å
200L98.3Very high96Very high2 Ų242.5 Ų42.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-100.8127.3171.5-52.7-179.1000107.7I198 S207 L208 L210 I216 A245 I265 V268I198-L200 HydrophobicContact CG2-CD2 3.61Å; I198-L200 HydrophobicContact CG2-CG 4.18Å; L200-S207 CarbonylContact O-C 3.48Å; L200-S207 VanDerWaalsContact O-CA 3.26Å; L200-S207 WeakPolarHBondContact O-CA 3.44Å; L200-S207 PolarHBondContact O-OG 2.58Å; L200-L208 HydrophobicContact CB-CB 4.49Å; L200-L208 PolarHBondContact N-O 3.15Å; L200-L208 PolarHBondContact O-N 3.26Å; L200-L210 HydrophobicContact CD1-CD2 4.45Å; L200-I216 HydrophobicContact CD1-CD1 3.32Å; L200-A245 HydrophobicContact CD1-CB 3.95Å; L200-A245 HydrophobicContact CD2-CB 3.59Å; L200-A245 HydrophobicContact CG-CB 4.46Å; L200-I265 HydrophobicContact CD1-CD1 4.24Å; L200-V268 HydrophobicContact CD2-CB 4.29Å; L200-V268 HydrophobicContact CD2-CG1 3.89Å; L200-V268 HydrophobicContact CD2-CG2 3.88Å
201T98.4Very high96.1Very high26 Ų2639.5 Ų39.516%0.1622%0.223CC..EExtended strand (participates in β ladder)trans-114.2133.9171.5-43.90000108.8R206 I265 T266 T267T201-R206 CarbonylContact C-O 3.57Å; T201-R206 WeakPolarHBondContact CA-O 3.49Å; T201-I265 CarbonylContact O-C 3.59Å; T201-T266 PolarHBondContact O-N 2.85Å; T201-T266 PolarHBondContact O-OG1 2.83Å; T201-T266 VanDerWaalsContact O-OG1 3.1Å; T201-T267 WeakPolarHBondContact CB-OG1 3.27Å; T201-T267 PolarHBondContact N-O 2.93Å; T201-T267 PolarHBondContact O-N 2.78Å; T201-T267 PolarHBondContact OG1-OG1 2.82Å
202T98.1Very high96Very high5 Ų537.6 Ų37.63%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-98.1171.9-178.673.80000112.2S204 N205 R206 V251 D263 R264 T266T202-S204 VanDerWaalsContact C-N 3.27Å; T202-S204 PolarHBondContact O-N 3.14Å; T202-S204 PolarHBondContact OG1-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.45Å; T202-N205 PolarHBondContact O-N 3.48Å; T202-R206 HydrophobicContact CG2-CB 4.39Å; T202-R206 PolarHBondContact N-O 2.69Å; T202-R206 WeakPolarHBondContact OG1-CB 3.46Å; T202-R206 PolarHBondContact OG1-N 3.38Å; T202-R206 VanDerWaalsContact OG1-N 3.14Å; T202-R206 PolarHBondContact OG1-O 3.27Å; T202-V251 HydrophobicContact CG2-CG2 3.53Å; T202-D263 WeakPolarHBondContact CB-OD2 3.02Å; T202-D263 PolarHBondContact OG1-OD2 3.18Å; T202-R264 CarbonylContact C-O 3.45Å; T202-R264 WeakPolarHBondContact CA-O 3.25Å; T202-T266 PolarHBondContact O-OG1 3.07Å
203Q97.3Very high95.9Very high141 Ų14137 Ų3766%0.65920%0.198SC*.THydrogen-bonded Turntrans-66.6-31.6177.7-176.3175.4-17.400111.7N205 D263 R264 T266Q203-N205 PolarHBondContact O-N 2.98Å; Q203-D263 WeakPolarHBondContact CB-OD1 3.09Å; Q203-D263 PolarHBondContact N-OD1 2.83Å; Q203-R264 HydrophobicContact CB-CB 4.45Å; Q203-R264 PolarHBondContact N-O 3.15Å; Q203-T266 HydrophobicContact CB-CG2 3.89Å
204S95.8Very high96Very high50 Ų5034.9 Ų34.935%0.3519%0.185SC..THydrogen-bonded Turntrans-76.310.4171.688.70000114.1T202 R206 D263T202-S204 VanDerWaalsContact C-N 3.27Å; T202-S204 PolarHBondContact O-N 3.14Å; T202-S204 PolarHBondContact OG1-N 3.05Å; T202-S204 PolarHBondContact OG1-OG 3.45Å; S204-R206 PolarHBondContact O-N 2.74Å; S204-R206 WeakPolarHBondContact OG-CD 3.29Å; S204-R206 VanDerWaalsContact OG-CG 3.3Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-NH1 3.3Å; S204-D263 WeakPolarHBondContact CB-OD2 3.3Å; S204-D263 PolarHBondContact N-OD1 3.32Å; S204-D263 PolarHBondContact N-OD2 3.05Å; S204-D263 PolarHBondContact OG-OD2 2.9Å
205N96.4Very high95.8Very high138 Ų13831.1 Ų31.174%0.73817%0.168SC*.  trans59.927.7-175.7-161.539.6000114.1T202 Q203T202-N205 PolarHBondContact O-N 3.48Å; Q203-N205 PolarHBondContact O-N 2.98Å
206R96.8Very high95.9Very high42 Ų4230.2 Ų30.216%0.15816%0.162CC..  trans-81.9143.8167.1-71167.6175.8101.1-3.7108.2T201 T202 S204 D255 D290 V291T201-R206 CarbonylContact C-O 3.57Å; T201-R206 WeakPolarHBondContact CA-O 3.49Å; T202-R206 HydrophobicContact CG2-CB 4.39Å; T202-R206 PolarHBondContact N-O 2.69Å; T202-R206 WeakPolarHBondContact OG1-CB 3.46Å; T202-R206 PolarHBondContact OG1-N 3.38Å; T202-R206 VanDerWaalsContact OG1-N 3.14Å; T202-R206 PolarHBondContact OG1-O 3.27Å; S204-R206 PolarHBondContact O-N 2.74Å; S204-R206 WeakPolarHBondContact OG-CD 3.29Å; S204-R206 VanDerWaalsContact OG-CG 3.3Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-NH1 3.3Å; R206-D255 IonicContact CZ-OD2 3.71Å; R206-D255 IonicContact NH1-OD2 2.69Å; R206-D255 IonicContact NH2-OD2 3.76Å; R206-D255 PolarHBondContact NH2-OD2 3.41Å; R206-D290 IonicContact NE-OD2 3.77Å; R206-V291 HydrophobicContact CB-CG2 4.26Å
207S97.3Very high95.9Very high37 Ų3728.5 Ų28.526%0.25915%0.153SC..EExtended strand (participates in β ladder)trans-126.6133.8-179.9-171.60000110.9V199 L200 N289V199-S207 WeakPolarHBondContact CG1-OG 3.49Å; L200-S207 CarbonylContact O-C 3.48Å; L200-S207 VanDerWaalsContact O-CA 3.26Å; L200-S207 WeakPolarHBondContact O-CA 3.44Å; L200-S207 PolarHBondContact O-OG 2.58Å; S207-N289 WeakPolarHBondContact O-CB 3.36Å; S207-N289 PolarHBondContact O-ND2 3.33Å
208L97.5Very high95.8Very high3 Ų328.4 Ų28.42%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-121.2122.6177.1-165.171.7000108.9F149 V199 L200 L210 I216 V288 V291 V293F149-L208 HydrophobicContact CE1-CD1 4.41Å; V199-L208 WeakPolarHBondContact CA-O 3.08Å; L200-L208 HydrophobicContact CB-CB 4.49Å; L200-L208 PolarHBondContact N-O 3.15Å; L200-L208 PolarHBondContact O-N 3.26Å; L208-L210 HydrophobicContact CB-CD2 3.9Å; L208-L210 HydrophobicContact CD2-CD2 3.29Å; L208-L210 HydrophobicContact CG-CD2 3.27Å; L208-I216 HydrophobicContact CD2-CG2 4.15Å; L208-V288 HydrophobicContact CD1-CB 3.84Å; L208-V288 HydrophobicContact CD1-CG1 3.78Å; L208-V291 HydrophobicContact CD1-CB 4.42Å; L208-V291 HydrophobicContact CD2-CG1 4.31Å; L208-V293 HydrophobicContact CD1-CG1 4.19Å; L208-V293 HydrophobicContact CD2-CG1 3.6Å
209T97.5Very high95.7Very high1 Ų128.2 Ų28.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-116.2110.8179.9-56.80000110.1S150 M153 F197 I198 V199 V271 K273S150-T209 PolarHBondContact N-O 3.03Å; S150-T209 VanDerWaalsContact OG-CB 3.3Å; S150-T209 WeakPolarHBondContact OG-CB 3.37Å; S150-T209 VanDerWaalsContact OG-CG2 3.29Å; S150-T209 WeakPolarHBondContact OG-CG2 3.49Å; M153-T209 WeakPolarHBondContact CG-O 3.5Å; M153-T209 PolarHBondContact SD-N 3.4Å; F197-T209 HydrophobicContact CB-CG2 3.46Å; F197-T209 VanDerWaalsContact CB-CG2 3.46Å; F197-T209 HydrophobicContact CD1-CG2 4.06Å; F197-T209 HydrophobicContact CD2-CG2 4.49Å; F197-T209 HydrophobicContact CG-CG2 3.78Å; I198-T209 WeakPolarHBondContact O-CA 3.26Å; V199-T209 HydrophobicContact CG2-CG2 4.21Å; T209-V271 HydrophobicContact CG2-CG1 3.96Å; T209-K273 HydrophobicContact CG2-CD 4.21Å
210L96.2Very high95.5Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-148.4158.6-169.857.7140.9000112.5C148 F149 F197 I198 L200 L208 H214 I216 A242C148-L210 CarbonylContact O-C 3.54Å; C148-L210 VanDerWaalsContact O-CA 3.28Å; C148-L210 WeakPolarHBondContact O-CA 3.49Å; F149-L210 HydrophobicContact CD1-CB 4.28Å; F197-L210 CarbonylContact C-O 3.58Å; F197-L210 WeakPolarHBondContact CA-O 3.33Å; F197-L210 VanDerWaalsContact CD1-C 3.4Å; I198-L210 PolarHBondContact N-O 3.28Å; I198-L210 PolarHBondContact O-N 3.47Å; L200-L210 HydrophobicContact CD1-CD2 4.45Å; L208-L210 HydrophobicContact CB-CD2 3.9Å; L208-L210 HydrophobicContact CD2-CD2 3.29Å; L208-L210 HydrophobicContact CG-CD2 3.27Å; L210-H214 HydrophobicContact CB-CB 4.16Å; L210-H214 HydrophobicContact CD1-CB 3.5Å; L210-H214 HydrophobicContact CG-CB 4.44Å; L210-I216 HydrophobicContact CD1-CG2 3.98Å; L210-A242 HydrophobicContact CD1-CB 3.05Å; L210-A242 HydrophobicContact CG-CB 3.99Å
211T95.1Very high95.1Very high11 Ų1134.2 Ų34.27%0.06718%0.182CC..  trans-65.5150.417851.90000111.2L143 C148 T195 F197 E213 H214L143-T211 HydrophobicContact CD1-CG2 4.46Å; C148-T211 HydrophobicContact CB-CG2 3.75Å; C148-T211 PolarHBondContact N-OG1 2.98Å; C148-T211 PolarHBondContact O-N 3.11Å; C148-T211 PolarHBondContact O-OG1 3.45Å; T195-T211 HydrophobicContact CG2-CG2 4.04Å; F197-T211 HydrophobicContact CD1-CG2 4.3Å; F197-T211 HydrophobicContact CE1-CG2 4.04Å; T211-E213 PolarHBondContact O-N 3.04Å; T211-H214 VanDerWaalsContact O-CB 3.27Å; T211-H214 WeakPolarHBondContact O-CB 3.03Å; T211-H214 PolarHBondContact O-N 2.88Å
212P93.8Very high94.7Very high37 Ų3740.1 Ų40.124%0.2421%0.213CC..THydrogen-bonded Turntrans-51.3-35-178.8-2934.6000115.8I198 A242 S243I198-P212 HydrophobicContact CD1-CB 4Å; I198-P212 HydrophobicContact CD1-CG 4.24Å; I198-P212 HydrophobicContact CG1-CB 4.45Å; I198-P212 HydrophobicContact CG1-CG 4.16Å; P212-A242 PolarHBondContact O-N 3.27Å; P212-S243 WeakPolarHBondContact O-CB 3.47Å; P212-S243 PolarHBondContact O-N 2.81Å; P212-S243 PolarHBondContact O-OG 3.46Å
213E91Very high94.2Very high82 Ų8242 Ų4238%0.38322%0.222SC..THydrogen-bonded Turntrans-91.65.2-176.1-55.4-55.3136.100114.1T211 F241 S297T211-E213 PolarHBondContact O-N 3.04Å; E213-F241 VanDerWaalsContact O-CD1 3.3Å; E213-F241 WeakPolarHBondContact O-CD1 3.2Å; E213-F241 VanDerWaalsContact OE2-CD2 3.29Å; E213-F241 WeakPolarHBondContact OE2-CD2 3.5Å; E213-F241 VanDerWaalsContact OE2-CE2 3.28Å; E213-F241 WeakPolarHBondContact OE2-CE2 3.37Å; E213-S297 WeakPolarHBondContact O-CB 3.29Å
214H93.1Very high93.4Very high0 Ų045 Ų450%023%0.234CC..BIsolated β-bridgetrans-73.6133.3177.8-164.7119.7000109.5G147 C148 F149 L210 T211 A242 S294G147-H214 WeakPolarHBondContact CA-ND1 3.17Å; G147-H214 PolarHBondContact O-ND1 3.13Å; C148-H214 PolarHBondContact N-ND1 2.85Å; F149-H214 AromaticContact CD2-CE1 3.89Å; F149-H214 AromaticContact CE1-CE1 3.55Å; F149-H214 AromaticContact CE1-NE2 3.68Å; F149-H214 AromaticContact CE2-CE1 3.3Å; F149-H214 WeakPolarHBondContact CE2-CE1 3.13Å; F149-H214 AromaticContact CE2-NE2 3.82Å; F149-H214 AromaticContact CZ-CE1 3.09Å; F149-H214 WeakPolarHBondContact CZ-CE1 3.42Å; F149-H214 AromaticContact CZ-NE2 3.19Å; F149-H214 WeakPolarHBondContact CZ-NE2 3.38Å; L210-H214 HydrophobicContact CB-CB 4.16Å; L210-H214 HydrophobicContact CD1-CB 3.5Å; L210-H214 HydrophobicContact CG-CB 4.44Å; T211-H214 VanDerWaalsContact O-CB 3.27Å; T211-H214 WeakPolarHBondContact O-CB 3.03Å; T211-H214 PolarHBondContact O-N 2.88Å; H214-A242 PolarHBondContact O-N 3.5Å; H214-S294 PolarHBondContact NE2-O 3.37Å
215L91.5Very high92.8Very high3 Ų348 Ų482%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-81.5125.3-177.9-70.7172.6000111.5Q240 F241 S294 F296L215-Q240 WeakPolarHBondContact CA-O 3.19Å; L215-F241 HydrophobicContact CD2-CD1 3.53Å; L215-F241 HydrophobicContact CD2-CE1 3.71Å; L215-F241 HydrophobicContact CG-CD1 4.25Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; L215-S294 WeakPolarHBondContact O-CB 3.35Å; L215-S294 PolarHBondContact O-N 3.41Å; L215-F296 WeakPolarHBondContact CB-O 3.43Å; L215-F296 PolarHBondContact N-O 2.89Å; L215-F296 VanDerWaalsContact N-O 3.11Å
216I93.9Very high92.3Very high2 Ų242.6 Ų42.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-132.5140.6175.753.6165.6000110.1L200 L208 L210 L218 S239 Q240 A242 V293L200-I216 HydrophobicContact CD1-CD1 3.32Å; L208-I216 HydrophobicContact CD2-CG2 4.15Å; L210-I216 HydrophobicContact CD1-CG2 3.98Å; I216-L218 HydrophobicContact CD1-CD1 4.19Å; I216-L218 HydrophobicContact CD1-CD2 3.71Å; I216-L218 HydrophobicContact CD1-CG 3.99Å; I216-L218 HydrophobicContact CG1-CD1 4.18Å; I216-L218 HydrophobicContact CG1-CD2 4.19Å; I216-L218 HydrophobicContact CG1-CG 3.93Å; I216-L218 PolarHBondContact O-N 3.26Å; I216-L218 VanDerWaalsContact O-N 3.12Å; I216-S239 WeakPolarHBondContact O-CA 3.35Å; I216-Q240 PolarHBondContact N-O 3.43Å; I216-Q240 PolarHBondContact O-N 2.81Å; I216-A242 HydrophobicContact CD1-CB 4.11Å; I216-A242 HydrophobicContact CG1-CB 4.26Å; I216-V293 HydrophobicContact CG2-CB 4.22Å; I216-V293 HydrophobicContact CG2-CG1 3.91Å
217P93.8Very high91.9Very high1 Ų143.6 Ų43.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-63.2114.6172.8-20.333.5000109.9M219 A235 W238 I252 F292P217-M219 VanDerWaalsContact C-CE 3.46Å; P217-M219 HydrophobicContact CB-CE 3.67Å; P217-M219 WeakPolarHBondContact O-CE 3.4Å; P217-A235 HydrophobicContact CG-CB 4.45Å; P217-W238 WeakPolarHBondContact CA-O 3.38Å; P217-I252 HydrophobicContact CB-CD1 4Å; P217-F292 HydrophobicContact CG-CD1 3.92Å; P217-F292 HydrophobicContact CG-CE1 3.94Å
218L95Very high91.5Very high0 Ų043.7 Ų43.70%023%0.231CC..  trans-119.1126.9176.9-69175.5000109.3I216 W238 Q240 A245 H249 V251 I265I216-L218 HydrophobicContact CD1-CD1 4.19Å; I216-L218 HydrophobicContact CD1-CD2 3.71Å; I216-L218 HydrophobicContact CD1-CG 3.99Å; I216-L218 HydrophobicContact CG1-CD1 4.18Å; I216-L218 HydrophobicContact CG1-CD2 4.19Å; I216-L218 HydrophobicContact CG1-CG 3.93Å; I216-L218 PolarHBondContact O-N 3.26Å; I216-L218 VanDerWaalsContact O-N 3.12Å; L218-W238 PolarHBondContact N-O 2.67Å; L218-Q240 HydrophobicContact CD1-CB 4.19Å; L218-A245 HydrophobicContact CD1-CB 3.86Å; L218-A245 HydrophobicContact CD2-CB 4.16Å; L218-H249 HydrophobicContact CD2-CB 4.17Å; L218-V251 HydrophobicContact CD2-CG1 4.13Å; L218-I265 HydrophobicContact CD2-CD1 3.91Å
219M94.3Very high91.1Very high1 Ų150.9 Ų50.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-136.1157.3178.451.1-127.865.600111.5P217 C221 I226 W238 H249 C250 I252 L262P217-M219 VanDerWaalsContact C-CE 3.46Å; P217-M219 HydrophobicContact CB-CE 3.67Å; P217-M219 WeakPolarHBondContact O-CE 3.4Å; M219-C221 PolarHBondContact O-N 3.03Å; M219-I226 HydrophobicContact CB-CD1 3.23Å; M219-I226 HydrophobicContact CG-CD1 3.7Å; M219-I226 HydrophobicContact SD-CD1 4.02Å; M219-I226 HydrophobicContact SD-CG2 4.22Å; M219-W238 HydrophobicContact CE-CB 4.27Å; M219-H249 CarbonylContact O-C 3.54Å; M219-H249 VanDerWaalsContact O-CA 3.28Å; M219-H249 WeakPolarHBondContact O-CA 3.24Å; M219-C250 HydrophobicContact CG-CB 4.36Å; M219-C250 PolarHBondContact N-O 2.9Å; M219-C250 PolarHBondContact O-N 3.41Å; M219-I252 HydrophobicContact CE-CD1 3.93Å; M219-I252 HydrophobicContact CE-CG1 3.97Å; M219-I252 HydrophobicContact SD-CD1 4.13Å; M219-I252 HydrophobicContact SD-CG1 3.87Å; M219-L262 HydrophobicContact CG-CD1 4.18Å; M219-L262 HydrophobicContact CG-CD2 3.76Å; M219-L262 HydrophobicContact SD-CD2 3.33Å; M219-L262 WeakPolarHBondContact SD-CD2 3.46Å
220H94.1Very high90.6Very high103 Ų10354.9 Ų54.948%0.47729%0.291SS..EExtended strand (participates in β ladder)trans-70.5131.1170.2-67.587.6000109.4N222 D223H220-N222 PolarHBondContact O-N 2.94Å; H220-N222 VanDerWaalsContact O-N 3.08Å; H220-D223 HydrophobicContact CB-CB 4.34Å; H220-D223 WeakPolarHBondContact O-CB 3.34Å; H220-D223 PolarHBondContact O-N 3.3Å
221C91.4Very high90.4Very high36 Ų3655 Ų5524%0.24329%0.291CS..THydrogen-bonded Turntrans-58.5-26.8-177.4-63.60000114M219 H249 C250M219-C221 PolarHBondContact O-N 3.03Å; C221-H249 VanDerWaalsContact SG-C 3.53Å; C221-C250 WeakPolarHBondContact CA-SG 3.31Å; C221-C250 HydrophobicContact CB-CB 4.07Å; C221-C250 WeakPolarHBondContact CB-SG 3.41Å; C221-C250 VanDerWaalsContact SG-CA 3.58Å; C221-C250 WeakPolarHBondContact SG-CB 3.29Å; C221-C250 PolarHBondContact SG-N 3.46Å; C221-C250 VanDerWaalsContact SG-N 3.42Å; C221-C250 CovalentContact SG-SG 2.03Å; C221-C250 PolarHBondContact SG-SG 2.91Å
222N88.2Confident89.9Confident150 Ų15057.5 Ų57.580%0.80230%0.302SS*.THydrogen-bonded Turntrans-92.71.1-177.7-63.8-27.4000113.4H220 K224H220-N222 PolarHBondContact O-N 2.94Å; H220-N222 VanDerWaalsContact O-N 3.08Å; N222-K224 PolarHBondContact O-N 3.11Å
223D87.6Confident89.5Confident44 Ų4460.4 Ų60.424%0.23532%0.315CS..  trans-7697.7179.9-169.6-11.8000110.9H220 T225 I226H220-D223 HydrophobicContact CB-CB 4.34Å; H220-D223 WeakPolarHBondContact O-CB 3.34Å; H220-D223 PolarHBondContact O-N 3.3Å; D223-T225 PolarHBondContact O-N 3.03Å; D223-T225 VanDerWaalsContact OD1-CB 3.28Å; D223-T225 WeakPolarHBondContact OD1-CB 3.42Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.35Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.77Å; D223-T225 PolarHBondContact OD2-OG1 3.25Å; D223-I226 HydrophobicContact CB-CD1 3.82Å; D223-I226 HydrophobicContact CB-CG1 4.11Å
224K81.3Confident89.4Confident205 Ų20556.9 Ų56.989%0.89130%0.299SS*.THydrogen-bonded Turntrans-72.6-5.5178.8-62.5-178.8-178.11760113.6N222 I226N222-K224 PolarHBondContact O-N 3.11Å; K224-I226 VanDerWaalsContact C-N 3.28Å
225T83.4Confident89Confident112 Ų11256.9 Ų56.969%0.68730%0.299SS*.THydrogen-bonded Turntrans-82.9-8.6-179.373.10000112.8D223 S227D223-T225 PolarHBondContact O-N 3.03Å; D223-T225 VanDerWaalsContact OD1-CB 3.28Å; D223-T225 WeakPolarHBondContact OD1-CB 3.42Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.35Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.77Å; D223-T225 PolarHBondContact OD2-OG1 3.25Å; T225-S227 PolarHBondContact O-N 2.89Å
226I85.1Confident88.5Confident24 Ų2458.5 Ų58.512%0.12331%0.311CS..  trans-85.1110.1-176-57.1178.9000109.9M219 D223 K224 L228 L234 W238M219-I226 HydrophobicContact CB-CD1 3.23Å; M219-I226 HydrophobicContact CG-CD1 3.7Å; M219-I226 HydrophobicContact SD-CD1 4.02Å; M219-I226 HydrophobicContact SD-CG2 4.22Å; D223-I226 HydrophobicContact CB-CD1 3.82Å; D223-I226 HydrophobicContact CB-CG1 4.11Å; K224-I226 VanDerWaalsContact C-N 3.28Å; I226-L228 HydrophobicContact CG2-CD2 4Å; I226-L234 HydrophobicContact CG2-CD1 4.23Å; I226-L234 HydrophobicContact CG2-CD2 3.85Å; I226-W238 HydrophobicContact CD1-CZ2 4.44Å; I226-W238 HydrophobicContact CG1-CZ2 4.31Å
227S88.3Confident88.2Confident63 Ų6366.8 Ų66.844%0.44134%0.342SS..  trans-82.7130.8165.4157.90000109.6T225 D229T225-S227 PolarHBondContact O-N 2.89Å; S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.28Å; S227-D229 PolarHBondContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-OD2 3.38Å
228L90.2Very high88Confident40 Ų4069.5 Ų69.521%0.20935%0.352CS..  trans-91.410.3176.8-58.1-179.1000112.9I226 N230 L234 I252 V260 L262I226-L228 HydrophobicContact CG2-CD2 4Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.76Å; L228-L234 HydrophobicContact CD2-CD1 3.67Å; L228-I252 HydrophobicContact CD2-CG1 4.37Å; L228-V260 HydrophobicContact CB-CB 4.47Å; L228-V260 HydrophobicContact CB-CG1 3.95Å; L228-V260 HydrophobicContact CD1-CG1 4.14Å; L228-L262 HydrophobicContact CD1-CG 4.31Å; L228-L262 HydrophobicContact CD2-CD2 3.95Å; L228-L262 HydrophobicContact CD2-CG 4.39Å
229D87.6Confident87.7Confident153 Ų15370.4 Ų70.482%0.81836%0.358SS*.SBendtrans-75.2-23.5-174.1-55.4-40.9000112.8S227S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.28Å; S227-D229 PolarHBondContact OG-N 3.12Å; S227-D229 PolarHBondContact OG-OD2 3.38Å
230N88.3Confident87.6Confident85 Ų8573.8 Ų73.846%0.45537%0.374SS..  trans-131.687.2179.6-171.7-22.7000110.8L228 E232 L233 L234L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.76Å; N230-E232 VanDerWaalsContact C-N 3.3Å; N230-E232 PolarHBondContact O-N 2.94Å; N230-E232 PolarHBondContact OD1-N 3.5Å; N230-L233 HydrophobicContact CB-CB 4.18Å; N230-L233 PolarHBondContact O-N 3.33Å; N230-L233 PolarHBondContact OD1-N 3.33Å; N230-L233 VanDerWaalsContact OD1-N 3.08Å; N230-L234 PolarHBondContact O-N 2.9Å
231L90.8Very high87.5Confident2 Ų270.8 Ų70.81%0.0136%0.36CS..Hα-helixtrans-64-33.6-177.6-65.1-166.6000113.3D176 L233 L234 A235 I252 L254 V260 F292D176-L231 WeakPolarHBondContact OD1-CD1 3.46Å; L231-L233 VanDerWaalsContact C-N 3.31Å; L231-L233 PolarHBondContact O-N 2.91Å; L231-L234 HydrophobicContact CD2-CD1 3.84Å; L231-L234 WeakPolarHBondContact O-CB 3.13Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L231-A235 PolarHBondContact O-N 2.78Å; L231-I252 HydrophobicContact CD1-CG2 4.33Å; L231-I252 HydrophobicContact CD2-CD1 4.18Å; L231-I252 HydrophobicContact CD2-CG2 3.86Å; L231-L254 HydrophobicContact CD1-CD2 3.97Å; L231-V260 HydrophobicContact CD1-CG1 4.02Å; L231-V260 HydrophobicContact CD1-CG2 4.44Å; L231-V260 HydrophobicContact CD2-CG1 3.81Å; L231-V260 HydrophobicContact CG-CG1 4.37Å; L231-F292 HydrophobicContact CB-CD1 4.45Å; L231-F292 HydrophobicContact CB-CD2 4.23Å; L231-F292 HydrophobicContact CB-CE1 3.97Å; L231-F292 HydrophobicContact CB-CE2 3.71Å; L231-F292 HydrophobicContact CB-CZ 3.57Å; L231-F292 HydrophobicContact CD1-CD2 3.93Å; L231-F292 HydrophobicContact CD1-CE2 4.23Å; L231-F292 HydrophobicContact CD1-CG 4.16Å; L231-F292 VanDerWaalsContact O-CE1 3.31Å; L231-F292 WeakPolarHBondContact O-CE1 3.45Å; L231-F292 VanDerWaalsContact O-CZ 3.25Å; L231-F292 WeakPolarHBondContact O-CZ 3.3Å
232E84.8Confident87.7Confident64 Ų6469.1 Ų69.130%0.29935%0.349SS..Hα-helixtrans-61.3-40.7176.1-170.7172.8164.900111.4N230 L234 A235 S236 Q283N230-E232 VanDerWaalsContact C-N 3.3Å; N230-E232 PolarHBondContact O-N 2.94Å; N230-E232 PolarHBondContact OD1-N 3.5Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.18Å; E232-A235 PolarHBondContact O-N 2.76Å; E232-S236 PolarHBondContact O-N 2.71Å; E232-Q283 HydrophobicContact CG-CG 4.3Å; E232-Q283 PolarHBondContact OE2-NE2 3.22Å
233L86.3Confident88Confident98 Ų9863 Ų6351%0.51332%0.318SS..Hα-helixtrans-65.4-36.9174.5-17763.3000111.9N230 L231 S236 R237N230-L233 HydrophobicContact CB-CB 4.18Å; N230-L233 PolarHBondContact O-N 3.33Å; N230-L233 PolarHBondContact OD1-N 3.33Å; N230-L233 VanDerWaalsContact OD1-N 3.08Å; L231-L233 VanDerWaalsContact C-N 3.31Å; L231-L233 PolarHBondContact O-N 2.91Å; L233-S236 PolarHBondContact O-N 2.88Å; L233-R237 VanDerWaalsContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.53Å
234L87.8Confident88.3Confident9 Ų966.8 Ų66.85%0.04733%0.332CS..Hα-helixtrans-66.3-39.5176-62.2179.6000111.9I226 L228 N230 L231 E232 S236 R237 W238 I252I226-L234 HydrophobicContact CG2-CD1 4.23Å; I226-L234 HydrophobicContact CG2-CD2 3.85Å; L228-L234 HydrophobicContact CD2-CD1 3.67Å; N230-L234 PolarHBondContact O-N 2.9Å; L231-L234 HydrophobicContact CD2-CD1 3.84Å; L231-L234 WeakPolarHBondContact O-CB 3.13Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-L234 VanDerWaalsContact O-N 3.12Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.18Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 2.76Å; L234-R237 PolarHBondContact O-N 3.35Å; L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.26Å; L234-I252 HydrophobicContact CB-CD1 3.98Å; L234-I252 HydrophobicContact CD1-CD1 3.55Å; L234-I252 HydrophobicContact CG-CD1 4.43Å
235A85.4Confident89.1Confident0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-59.9-39.1171.200000112P217 L231 E232 S239 T285 F292P217-A235 HydrophobicContact CG-CB 4.45Å; L231-A235 PolarHBondContact O-N 2.78Å; E232-A235 PolarHBondContact O-N 2.76Å; A235-S239 WeakPolarHBondContact O-CB 3.18Å; A235-S239 PolarHBondContact O-OG 3.32Å; A235-T285 HydrophobicContact CB-CG2 3.8Å; A235-F292 HydrophobicContact CB-CE1 3.88Å; A235-F292 HydrophobicContact CB-CZ 4.02Å
236S81.9Confident89.7Confident37 Ų3754.4 Ų54.426%0.25927%0.274SS..Hα-helixtrans-70.6-39.7177.6-163.50000113.1E232 L233 L234 N303E232-S236 PolarHBondContact O-N 2.71Å; L233-S236 PolarHBondContact O-N 2.88Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 2.76Å; S236-N303 PolarHBondContact OG-ND2 3.25Å; S236-N303 PolarHBondContact OG-OD1 2.71Å
237R85.9Confident90.3Very high176 Ų17656.1 Ų56.166%0.66429%0.286SS*.Hα-helixtrans-90.2-35.5-169.7-177.6174175176.4-1.9114.6L233 L234L233-R237 VanDerWaalsContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CB 3.32Å; L233-R237 PolarHBondContact O-N 2.53Å; L234-R237 PolarHBondContact O-N 3.35Å
238W89.5Confident90.7Very high57 Ų5758 Ų5822%0.21629%0.287CS..Hα-helixtrans-118.14.5-168.5-62.2104000113.5P217 L218 M219 I226 L234 Q240P217-W238 WeakPolarHBondContact CA-O 3.38Å; L218-W238 PolarHBondContact N-O 2.67Å; M219-W238 HydrophobicContact CE-CB 4.27Å; I226-W238 HydrophobicContact CD1-CZ2 4.44Å; I226-W238 HydrophobicContact CG1-CZ2 4.31Å; L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.26Å; W238-Q240 PolarHBondContact O-N 2.84Å
239S90.3Very high91Very high19 Ų1957 Ų5713%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-66.2124.1175.8-77.90000111.2I216 A235I216-S239 WeakPolarHBondContact O-CA 3.35Å; A235-S239 WeakPolarHBondContact O-CB 3.18Å; A235-S239 PolarHBondContact O-OG 3.32Å
240Q91.4Very high91.5Very high72 Ų7250 Ų5034%0.33624%0.244SC..EExtended strand (participates in β ladder)trans-128.5162.3173.9-65.5-177.665.300109.1L215 I216 L218 W238 A242 K244L215-Q240 WeakPolarHBondContact CA-O 3.19Å; I216-Q240 PolarHBondContact N-O 3.43Å; I216-Q240 PolarHBondContact O-N 2.81Å; L218-Q240 HydrophobicContact CD1-CB 4.19Å; W238-Q240 PolarHBondContact O-N 2.84Å; Q240-A242 PolarHBondContact O-N 2.91Å; Q240-K244 HydrophobicContact CB-CB 4.46Å
241F92.5Very high91.9Very high41 Ų4146.1 Ų46.118%0.1822%0.224CC..EExtended strand (participates in β ladder)trans-60.1140.7171.3-63.2-34.6000110.2E213 L215 S243 K244E213-F241 VanDerWaalsContact O-CD1 3.3Å; E213-F241 WeakPolarHBondContact O-CD1 3.2Å; E213-F241 VanDerWaalsContact OE2-CD2 3.29Å; E213-F241 WeakPolarHBondContact OE2-CD2 3.5Å; E213-F241 VanDerWaalsContact OE2-CE2 3.28Å; E213-F241 WeakPolarHBondContact OE2-CE2 3.37Å; L215-F241 HydrophobicContact CD2-CD1 3.53Å; L215-F241 HydrophobicContact CD2-CE1 3.71Å; L215-F241 HydrophobicContact CG-CD1 4.25Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; F241-S243 WeakPolarHBondContact CB-OG 3.5Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-S243 VanDerWaalsContact O-N 3.14Å; F241-K244 HydrophobicContact CB-CG 4.45Å; F241-K244 VanDerWaalsContact O-CB 3.27Å; F241-K244 WeakPolarHBondContact O-CB 3.39Å; F241-K244 PolarHBondContact O-N 3.09Å
242A94.8Very high92.1Very high0 Ų046 Ų460%022%0.223CC..G310 helixtrans-59.8-26.1177.100000113.9I198 L210 P212 H214 I216 Q240 K244 A245I198-A242 HydrophobicContact CD1-CB 4.48Å; L210-A242 HydrophobicContact CD1-CB 3.05Å; L210-A242 HydrophobicContact CG-CB 3.99Å; P212-A242 PolarHBondContact O-N 3.27Å; H214-A242 PolarHBondContact O-N 3.5Å; I216-A242 HydrophobicContact CD1-CB 4.11Å; I216-A242 HydrophobicContact CG1-CB 4.26Å; Q240-A242 PolarHBondContact O-N 2.91Å; A242-K244 PolarHBondContact O-N 3.12Å; A242-K244 VanDerWaalsContact O-N 3.15Å; A242-A245 VanDerWaalsContact O-CB 3.26Å; A242-A245 WeakPolarHBondContact O-CB 3.28Å; A242-A245 PolarHBondContact O-N 2.86Å
243S94.3Very high92.7Very high23 Ų2343 Ų4316%0.16121%0.209CC..G310 helixtrans-60.7-13.7169.463.80000114I23 P212 F241I23-S243 WeakPolarHBondContact CD1-O 3.33Å; P212-S243 WeakPolarHBondContact O-CB 3.47Å; P212-S243 PolarHBondContact O-N 2.81Å; P212-S243 PolarHBondContact O-OG 3.46Å; F241-S243 WeakPolarHBondContact CB-OG 3.5Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-S243 VanDerWaalsContact O-N 3.14Å
244K95.1Very high93.1Very high122 Ų12239 Ų3953%0.5319%0.189SC..G310 helixtrans-93-7174.1-60.2-64.2-173.2173.10113.6Q240 F241 A242Q240-K244 HydrophobicContact CB-CB 4.46Å; F241-K244 HydrophobicContact CB-CG 4.45Å; F241-K244 VanDerWaalsContact O-CB 3.27Å; F241-K244 WeakPolarHBondContact O-CB 3.39Å; F241-K244 PolarHBondContact O-N 3.09Å; A242-K244 PolarHBondContact O-N 3.12Å; A242-K244 VanDerWaalsContact O-N 3.15Å
245A96.9Very high93.1Very high3 Ų340.2 Ų40.23%0.02520%0.195CC..  trans-63.6137.9178.900000111.4L200 L218 A242 I265L200-A245 HydrophobicContact CD1-CB 3.95Å; L200-A245 HydrophobicContact CD2-CB 3.59Å; L200-A245 HydrophobicContact CG-CB 4.46Å; L218-A245 HydrophobicContact CD1-CB 3.86Å; L218-A245 HydrophobicContact CD2-CB 4.16Å; A242-A245 VanDerWaalsContact O-CB 3.26Å; A242-A245 WeakPolarHBondContact O-CB 3.28Å; A242-A245 PolarHBondContact O-N 2.86Å; A245-I265 HydrophobicContact CB-CD1 3.94Å
246T97.2Very high93Very high54 Ų5444.8 Ų44.833%0.33123%0.233SC..  trans-138.9170.8174.971.70000108.9E248 H249T246-E248 PolarHBondContact O-N 2.77Å; T246-E248 VanDerWaalsContact O-N 3.16Å; T246-E248 PolarHBondContact OG1-N 2.9Å; T246-H249 PolarHBondContact N-ND1 2.71Å; T246-H249 WeakPolarHBondContact O-CB 3.33Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 VanDerWaalsContact O-N 3.09Å; T246-H249 PolarHBondContact OG1-CE1 2.89Å; T246-H249 PolarHBondContact OG1-ND1 3.22Å
247T97Very high93.1Very high60 Ų6050.9 Ų50.937%0.36826%0.257SS..THydrogen-bonded Turntrans-68.8-6.8176.553.20000114.3H249 R264 I265 T266T247-H249 VanDerWaalsContact C-N 3.33Å; T247-R264 PolarHBondContact O-NE 3.34Å; T247-R264 PolarHBondContact O-NH2 2.79Å; T247-R264 VanDerWaalsContact O-NH2 3.13Å; T247-I265 VanDerWaalsContact CA-O 3.28Å; T247-I265 WeakPolarHBondContact CA-O 3.17Å; T247-T266 WeakPolarHBondContact CG2-O 3.28Å
248E95.9Very high93.1Very high103 Ų10345.8 Ų45.848%0.48125%0.252SS..THydrogen-bonded Turntrans-85.9-10173-60.2-48112.800112.8T246 R264T246-E248 PolarHBondContact O-N 2.77Å; T246-E248 VanDerWaalsContact O-N 3.16Å; T246-E248 PolarHBondContact OG1-N 2.9Å; E248-R264 IonicContact OE1-NH2 2.94Å; E248-R264 PolarHBondContact OE1-NH2 2.89Å; E248-R264 IonicContact OE2-NH2 3.49Å; E248-R264 PolarHBondContact OE2-NH2 2.85Å
249H97.4Very high93.2Very high20 Ų2044 Ų449%0.09325%0.252CS..EExtended strand (participates in β ladder)trans-95.2155.1179.1-63.1101.8000112.5L218 M219 C221 T246 T247 I265L218-H249 HydrophobicContact CD2-CB 4.17Å; M219-H249 CarbonylContact O-C 3.54Å; M219-H249 VanDerWaalsContact O-CA 3.28Å; M219-H249 WeakPolarHBondContact O-CA 3.24Å; C221-H249 VanDerWaalsContact SG-C 3.53Å; T246-H249 PolarHBondContact N-ND1 2.71Å; T246-H249 WeakPolarHBondContact O-CB 3.33Å; T246-H249 PolarHBondContact O-N 2.86Å; T246-H249 VanDerWaalsContact O-N 3.09Å; T246-H249 PolarHBondContact OG1-CE1 2.89Å; T246-H249 PolarHBondContact OG1-ND1 3.22Å; T247-H249 VanDerWaalsContact C-N 3.33Å; H249-I265 HydrophobicContact CB-CD1 4.19Å; H249-I265 PolarHBondContact O-N 3.22Å
250C97.2Very high93.4Very high4 Ų444.9 Ų44.93%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-113.7147167.7-880000109.9M219 C221 L262 D263 R264M219-C250 HydrophobicContact CG-CB 4.36Å; M219-C250 PolarHBondContact N-O 2.9Å; M219-C250 PolarHBondContact O-N 3.41Å; C221-C250 WeakPolarHBondContact CA-SG 3.31Å; C221-C250 HydrophobicContact CB-CB 4.07Å; C221-C250 WeakPolarHBondContact CB-SG 3.41Å; C221-C250 VanDerWaalsContact SG-CA 3.58Å; C221-C250 WeakPolarHBondContact SG-CB 3.29Å; C221-C250 PolarHBondContact SG-N 3.46Å; C221-C250 VanDerWaalsContact SG-N 3.42Å; C221-C250 CovalentContact SG-SG 2.03Å; C221-C250 PolarHBondContact SG-SG 2.91Å; C250-L262 HydrophobicContact CB-CB 4Å; C250-L262 HydrophobicContact CB-CD2 4.45Å; C250-D263 VanDerWaalsContact CA-O 3.27Å; C250-D263 WeakPolarHBondContact CA-O 3.27Å; C250-D263 VanDerWaalsContact SG-C 3.55Å; C250-R264 WeakPolarHBondContact SG-CA 3.38Å; C250-R264 PolarHBondContact SG-N 2.81Å
251V97.1Very high93.5Very high4 Ų443.9 Ų43.92%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-101.6163.6165.5-63.10000109.6T202 L218 V253 L262 D263 I265 V291T202-V251 HydrophobicContact CG2-CG2 3.53Å; L218-V251 HydrophobicContact CD2-CG1 4.13Å; V251-V253 HydrophobicContact CG2-CG1 3.98Å; V251-L262 WeakPolarHBondContact O-CA 3.19Å; V251-D263 HydrophobicContact CG2-CB 4.42Å; V251-D263 PolarHBondContact N-O 2.92Å; V251-D263 PolarHBondContact O-N 3.44Å; V251-I265 HydrophobicContact CG1-CD1 3.97Å; V251-I265 HydrophobicContact CG1-CG1 4.1Å; V251-V291 HydrophobicContact CB-CG1 3.85Å; V251-V291 HydrophobicContact CG1-CG1 4.44Å; V251-V291 HydrophobicContact CG2-CG1 3.85Å
252I96Very high93.6Very high0 Ų044.2 Ų44.20%026%0.257CS..EExtended strand (participates in β ladder)trans-91.7125.9173.9-58.9165000107.9P217 M219 L228 L231 L234 V260 L262 F292P217-I252 HydrophobicContact CB-CD1 4Å; M219-I252 HydrophobicContact CE-CD1 3.93Å; M219-I252 HydrophobicContact CE-CG1 3.97Å; M219-I252 HydrophobicContact SD-CD1 4.13Å; M219-I252 HydrophobicContact SD-CG1 3.87Å; L228-I252 HydrophobicContact CD2-CG1 4.37Å; L231-I252 HydrophobicContact CD1-CG2 4.33Å; L231-I252 HydrophobicContact CD2-CD1 4.18Å; L231-I252 HydrophobicContact CD2-CG2 3.86Å; L234-I252 HydrophobicContact CB-CD1 3.98Å; L234-I252 HydrophobicContact CD1-CD1 3.55Å; L234-I252 HydrophobicContact CG-CD1 4.43Å; I252-V260 HydrophobicContact CG2-CG1 3.74Å; I252-L262 HydrophobicContact CG1-CD2 3.92Å; I252-F292 HydrophobicContact CB-CB 4.12Å; I252-F292 HydrophobicContact CB-CD1 4.45Å; I252-F292 HydrophobicContact CD1-CD1 4.15Å; I252-F292 HydrophobicContact CG2-CB 4.03Å; I252-F292 PolarHBondContact O-N 3.4Å
253V96Very high93.7Very high0 Ų044.6 Ų44.60%026%0.259CS..EExtended strand (participates in β ladder)trans-118.8147.9176-53.60000111V251 L261 D263 D290 V291V251-V253 HydrophobicContact CG2-CG1 3.98Å; V253-L261 HydrophobicContact CG2-CD1 3.29Å; V253-L261 HydrophobicContact CG2-CD2 4.32Å; V253-L261 HydrophobicContact CG2-CG 3.51Å; V253-L261 PolarHBondContact N-O 3.26Å; V253-L261 PolarHBondContact O-N 2.84Å; V253-L261 VanDerWaalsContact O-N 3.07Å; V253-D263 HydrophobicContact CB-CB 4.4Å; V253-D263 HydrophobicContact CG1-CB 3.62Å; V253-D263 HydrophobicContact CG2-CB 3.83Å; V253-D290 CarbonylContact C-O 3.6Å; V253-D290 VanDerWaalsContact CA-O 3.27Å; V253-D290 WeakPolarHBondContact CA-O 3.48Å; V253-V291 HydrophobicContact CG1-CG2 4.17Å
254L94.4Very high93.8Very high16 Ų1648.4 Ų48.48%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-103103.3173-62.2-176.9000108.4L174 A177 L231 V260 V287 D290L174-L254 HydrophobicContact CD2-CD1 3.77Å; L174-L254 HydrophobicContact CG-CD1 4.34Å; A177-L254 HydrophobicContact CB-CD2 3.85Å; L231-L254 HydrophobicContact CD1-CD2 3.97Å; L254-V260 HydrophobicContact CD2-CB 4.27Å; L254-V260 HydrophobicContact CD2-CG1 4.16Å; L254-V260 HydrophobicContact CD2-CG2 3.65Å; L254-V287 HydrophobicContact CD1-CB 4.23Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å; L254-V287 HydrophobicContact CD1-CG2 3.36Å; L254-V287 HydrophobicContact CG-CG1 4.45Å; L254-V287 HydrophobicContact CG-CG2 4.42Å; L254-D290 PolarHBondContact N-O 2.56Å
255D89.7Confident94Very high33 Ų3342.6 Ų42.618%0.17625%0.245CC..EExtended strand (participates in β ladder)trans-97135177.3-169.6-93.8000110.5R206 Q257 A258 G259 L261R206-D255 IonicContact CZ-OD2 3.71Å; R206-D255 IonicContact NH1-OD2 2.69Å; R206-D255 IonicContact NH2-OD2 3.76Å; R206-D255 PolarHBondContact NH2-OD2 3.41Å; D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.15Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.31Å; D255-Q257 PolarHBondContact OD1-N 3.07Å; D255-Q257 PolarHBondContact OD1-OE1 3.42Å; D255-Q257 VanDerWaalsContact OD1-OE1 3.11Å; D255-A258 HydrophobicContact CB-CB 4.14Å; D255-A258 PolarHBondContact OD1-N 3.33Å; D255-G259 PolarHBondContact N-O 3.12Å; D255-G259 VanDerWaalsContact O-CA 3.27Å; D255-G259 WeakPolarHBondContact O-CA 3.27Å; D255-G259 PolarHBondContact O-N 3.47Å; D255-L261 HydrophobicContact CB-CD2 3.66Å
256A82.9Confident94Very high97 Ų9745.6 Ų45.680%0.80226%0.263SS*.THydrogen-bonded Turntrans-66.3-24.7-176.900000112.7
257Q83.5Confident94.1Very high165 Ų16546.1 Ų46.177%0.77127%0.266SS*.THydrogen-bonded Turntrans-100-43.9-177.4-64.676.617.900111.8D255D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.15Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.31Å; D255-Q257 PolarHBondContact OD1-N 3.07Å; D255-Q257 PolarHBondContact OD1-OE1 3.42Å; D255-Q257 VanDerWaalsContact OD1-OE1 3.11Å
258A86.3Confident94.1Very high68 Ų6846 Ų4656%0.56227%0.265SS*.THydrogen-bonded Turntrans-94.6-7.3-175.400000114.1D255 L261D255-A258 HydrophobicContact CB-CB 4.14Å; D255-A258 PolarHBondContact OD1-N 3.33Å; A258-L261 HydrophobicContact CB-CD2 3.49Å; A258-L261 VanDerWaalsContact CB-CD2 3.49Å
259G90.8Very high94.1Very high21 Ų2141.4 Ų41.422%0.21625%0.245CC..EExtended strand (participates in β ladder)trans75.4-130.7-176.700000111.6D255D255-G259 PolarHBondContact N-O 3.12Å; D255-G259 VanDerWaalsContact O-CA 3.27Å; D255-G259 WeakPolarHBondContact O-CA 3.27Å; D255-G259 PolarHBondContact O-N 3.47Å
260V94Very high94.1Very high37 Ų3743 Ų4322%0.22425%0.25CS..EExtended strand (participates in β ladder)trans-94.2123.7-177.2-169.20000109.9A177 L228 L231 I252 L254A177-V260 HydrophobicContact CB-CG2 3.6Å; L228-V260 HydrophobicContact CB-CB 4.47Å; L228-V260 HydrophobicContact CB-CG1 3.95Å; L228-V260 HydrophobicContact CD1-CG1 4.14Å; L231-V260 HydrophobicContact CD1-CG1 4.02Å; L231-V260 HydrophobicContact CD1-CG2 4.44Å; L231-V260 HydrophobicContact CD2-CG1 3.81Å; L231-V260 HydrophobicContact CG-CG1 4.37Å; I252-V260 HydrophobicContact CG2-CG1 3.74Å; L254-V260 HydrophobicContact CD2-CB 4.27Å; L254-V260 HydrophobicContact CD2-CG1 4.16Å; L254-V260 HydrophobicContact CD2-CG2 3.65Å
261L93.5Very high94.1Very high50 Ų5043.1 Ų43.126%0.26225%0.25SS..EExtended strand (participates in β ladder)trans-142.9161.2179.963.7100.3000112.8V253 D255 A258 D263V253-L261 HydrophobicContact CG2-CD1 3.29Å; V253-L261 HydrophobicContact CG2-CD2 4.32Å; V253-L261 HydrophobicContact CG2-CG 3.51Å; V253-L261 PolarHBondContact N-O 3.26Å; V253-L261 PolarHBondContact O-N 2.84Å; V253-L261 VanDerWaalsContact O-N 3.07Å; D255-L261 HydrophobicContact CB-CD2 3.66Å; A258-L261 HydrophobicContact CB-CD2 3.49Å; A258-L261 VanDerWaalsContact CB-CD2 3.49Å; L261-D263 HydrophobicContact CD1-CB 4.21Å
262L95.3Very high94Very high48 Ų4848.9 Ų48.925%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-86.2132.6169.7-65.5-176.2000110M219 L228 C250 V251 I252M219-L262 HydrophobicContact CG-CD1 4.18Å; M219-L262 HydrophobicContact CG-CD2 3.76Å; M219-L262 HydrophobicContact SD-CD2 3.33Å; M219-L262 WeakPolarHBondContact SD-CD2 3.46Å; L228-L262 HydrophobicContact CD1-CG 4.31Å; L228-L262 HydrophobicContact CD2-CD2 3.95Å; L228-L262 HydrophobicContact CD2-CG 4.39Å; C250-L262 HydrophobicContact CB-CB 4Å; C250-L262 HydrophobicContact CB-CD2 4.45Å; V251-L262 WeakPolarHBondContact O-CA 3.19Å; I252-L262 HydrophobicContact CG1-CD2 3.92Å
263D96.1Very high94Very high9 Ų950.4 Ų50.45%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-125.9124.6-179.9-167.85000110.5T202 Q203 S204 C250 V251 V253 L261T202-D263 WeakPolarHBondContact CB-OD2 3.02Å; T202-D263 PolarHBondContact OG1-OD2 3.18Å; Q203-D263 WeakPolarHBondContact CB-OD1 3.09Å; Q203-D263 PolarHBondContact N-OD1 2.83Å; S204-D263 WeakPolarHBondContact CB-OD2 3.3Å; S204-D263 PolarHBondContact N-OD1 3.32Å; S204-D263 PolarHBondContact N-OD2 3.05Å; S204-D263 PolarHBondContact OG-OD2 2.9Å; C250-D263 VanDerWaalsContact CA-O 3.27Å; C250-D263 WeakPolarHBondContact CA-O 3.27Å; C250-D263 VanDerWaalsContact SG-C 3.55Å; V251-D263 HydrophobicContact CG2-CB 4.42Å; V251-D263 PolarHBondContact N-O 2.92Å; V251-D263 PolarHBondContact O-N 3.44Å; V253-D263 HydrophobicContact CB-CB 4.4Å; V253-D263 HydrophobicContact CG1-CB 3.62Å; V253-D263 HydrophobicContact CG2-CB 3.83Å; L261-D263 HydrophobicContact CD1-CB 4.21Å
264R97.7Very high93.7Very high103 Ų10357.9 Ų57.939%0.38931%0.307SS..EExtended strand (participates in β ladder)trans-72.1134.8-171.6-176.1172-168-160.17.2110.5T202 Q203 T247 E248 C250 T266T202-R264 CarbonylContact C-O 3.45Å; T202-R264 WeakPolarHBondContact CA-O 3.25Å; Q203-R264 HydrophobicContact CB-CB 4.45Å; Q203-R264 PolarHBondContact N-O 3.15Å; T247-R264 PolarHBondContact O-NE 3.34Å; T247-R264 PolarHBondContact O-NH2 2.79Å; T247-R264 VanDerWaalsContact O-NH2 3.13Å; E248-R264 IonicContact OE1-NH2 2.94Å; E248-R264 PolarHBondContact OE1-NH2 2.89Å; E248-R264 IonicContact OE2-NH2 3.49Å; E248-R264 PolarHBondContact OE2-NH2 2.85Å; C250-R264 WeakPolarHBondContact SG-CA 3.38Å; C250-R264 PolarHBondContact SG-N 2.81Å; R264-T266 PolarHBondContact O-N 2.87Å
265I98.4Very high93.8Very high0 Ų057.1 Ų57.10%030%0.303CS..EExtended strand (participates in β ladder)trans-71.1120.3169.8-59.4178.3000108.5L200 T201 L218 A245 T247 H249 V251 T267 V268L200-I265 HydrophobicContact CD1-CD1 4.24Å; T201-I265 CarbonylContact O-C 3.59Å; L218-I265 HydrophobicContact CD2-CD1 3.91Å; A245-I265 HydrophobicContact CB-CD1 3.94Å; T247-I265 VanDerWaalsContact CA-O 3.28Å; T247-I265 WeakPolarHBondContact CA-O 3.17Å; H249-I265 HydrophobicContact CB-CD1 4.19Å; H249-I265 PolarHBondContact O-N 3.22Å; V251-I265 HydrophobicContact CG1-CD1 3.97Å; V251-I265 HydrophobicContact CG1-CG1 4.1Å; I265-T267 WeakPolarHBondContact CG2-O 3.36Å; I265-V268 HydrophobicContact CG2-CG2 3.67Å
266T98.2Very high94Very high66 Ų6655.7 Ų55.741%0.40530%0.295SS..EExtended strand (participates in β ladder)trans-96.4-30.417854.90000112T201 T202 Q203 T247 R264T201-T266 PolarHBondContact O-N 2.85Å; T201-T266 PolarHBondContact O-OG1 2.83Å; T201-T266 VanDerWaalsContact O-OG1 3.1Å; T202-T266 PolarHBondContact O-OG1 3.07Å; Q203-T266 HydrophobicContact CB-CG2 3.89Å; T247-T266 WeakPolarHBondContact CG2-O 3.28Å; R264-T266 PolarHBondContact O-N 2.87Å
267T97.8Very high94.6Very high64 Ų6451.2 Ų51.239%0.39326%0.257SS..EExtended strand (participates in β ladder)trans-140.8143.5176.772.40000111.8T201 I265T201-T267 WeakPolarHBondContact CB-OG1 3.27Å; T201-T267 PolarHBondContact N-O 2.93Å; T201-T267 PolarHBondContact O-N 2.78Å; T201-T267 PolarHBondContact OG1-OG1 2.82Å; I265-T267 WeakPolarHBondContact CG2-O 3.36Å
268V98Very high95.1Very high58 Ų5843.4 Ų43.435%0.35222%0.221SC..EExtended strand (participates in β ladder)trans-123.7109.4170-177.50000106.8I198 L200 I265I198-V268 HydrophobicContact CG2-CG1 4.02Å; L200-V268 HydrophobicContact CD2-CB 4.29Å; L200-V268 HydrophobicContact CD2-CG1 3.89Å; L200-V268 HydrophobicContact CD2-CG2 3.88Å; I265-V268 HydrophobicContact CG2-CG2 3.67Å
269G96.8Very high95.5Very high6 Ų640.1 Ų40.16%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-121176.9-18000000112.2I198 V199I198-G269 WeakPolarHBondContact CA-O 3.27Å; V199-G269 PolarHBondContact N-O 3.04Å; V199-G269 PolarHBondContact O-N 3.05Å
270R96.2Very high95.6Very high55 Ų5539.1 Ų39.121%0.20818%0.184CC..EExtended strand (participates in β ladder)trans-122.2147.6172.2-70.7179.1165.2-161.3-8.7110.3I23 K24 P27 Y28 L29 F197I23-R270 PolarHBondContact O-NH1 3.16Å; I23-R270 PolarHBondContact O-NH2 3.25Å; K24-R270 PolarHBondContact O-NH1 2.9Å; P27-R270 PolarHBondContact O-N 3.09Å; Y28-R270 CarbonylContact C-O 3.6Å; Y28-R270 VanDerWaalsContact CA-O 3.23Å; Y28-R270 WeakPolarHBondContact CA-O 3.32Å; Y28-R270 HydrophobicContact CD1-CB 4.21Å; Y28-R270 HydrophobicContact CE1-CB 4.35Å; L29-R270 PolarHBondContact N-O 3.21Å; F197-R270 CarbonylContact O-C 3.58Å; F197-R270 VanDerWaalsContact O-CA 3.31Å; F197-R270 WeakPolarHBondContact O-CA 3.3Å
271V96.8Very high95.5Very high5 Ų537.4 Ų37.43%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-147.8146.3174.470.90000109.3F197 V199 T209 K273F197-V271 HydrophobicContact CB-CG1 4.08Å; F197-V271 PolarHBondContact N-O 2.87Å; F197-V271 PolarHBondContact O-N 2.88Å; V199-V271 HydrophobicContact CG2-CB 3.87Å; V199-V271 HydrophobicContact CG2-CG1 3.32Å; T209-V271 HydrophobicContact CG2-CG1 3.96Å; V271-K273 HydrophobicContact CG1-CD 4.02Å; V271-K273 HydrophobicContact CG1-CG 3.96Å; V271-K273 HydrophobicContact CG2-CG 4.05Å
272R95.8Very high95.4Very high125 Ų12536.7 Ų36.747%0.47217%0.173SC..EExtended strand (participates in β ladder)trans-98.9116170-167166.1-175.6100.1-3.5108.9E194 T195 D196E194-R272 HydrophobicContact CB-CG 4.49Å; E194-R272 IonicContact OE2-NE 3.79Å; T195-R272 WeakPolarHBondContact O-CA 3.49Å; D196-R272 WeakPolarHBondContact OD1-CD 3.4Å; D196-R272 WeakPolarHBondContact OD1-CG 3.09Å; D196-R272 IonicContact OD1-CZ 2.76Å; D196-R272 IonicContact OD1-NH1 2.82Å; D196-R272 PolarHBondContact OD1-NH1 3.21Å; D196-R272 IonicContact OD2-NH1 2.95Å; D196-R272 PolarHBondContact OD2-NH1 2.85Å
273K95Very high95.1Very high32 Ų3234.5 Ų34.514%0.13916%0.161CC..EExtended strand (participates in β ladder)trans-125156.5-178.5-77.6-174178.9176.60111.7D31 D152 E194 T195 F197 T209 V271D31-K273 WeakPolarHBondContact OD1-CE 3.45Å; D31-K273 IonicContact OD1-NZ 3.85Å; D31-K273 WeakPolarHBondContact OD2-CE 3.4Å; D152-K273 IonicContact OD1-NZ 2.74Å; D152-K273 IonicContact OD2-NZ 3.74Å; D152-K273 PolarHBondContact OD2-NZ 2.85Å; E194-K273 WeakPolarHBondContact CA-O 3.19Å; T195-K273 PolarHBondContact N-O 3.44Å; T195-K273 PolarHBondContact O-N 3.09Å; F197-K273 HydrophobicContact CD2-CB 3.87Å; F197-K273 HydrophobicContact CE2-CB 3.94Å; T209-K273 HydrophobicContact CG2-CD 4.21Å; V271-K273 HydrophobicContact CG1-CD 4.02Å; V271-K273 HydrophobicContact CG1-CG 3.96Å; V271-K273 HydrophobicContact CG2-CG 4.05Å
274R91.4Very high94.8Very high158 Ų15834.1 Ų34.160%0.59616%0.159SC*.EExtended strand (participates in β ladder)trans-83.8140.4171.9-93.2-172.1-93.8-91.2-9.6111.5S151 V193 E194S151-R274 PolarHBondContact OG-O 2.95Å; V193-R274 CarbonylContact O-C 3.55Å; V193-R274 WeakPolarHBondContact O-CA 3.27Å; E194-R274 HydrophobicContact CG-CG 3.42Å; E194-R274 VanDerWaalsContact CG-CG 3.42Å; E194-R274 IonicContact OE1-CZ 3.84Å; E194-R274 VanDerWaalsContact OE1-CZ 3.27Å; E194-R274 IonicContact OE1-NH1 3.27Å; E194-R274 PolarHBondContact OE1-NH1 3.11Å; E194-R274 IonicContact OE1-NH2 2.77Å
275G94.8Very high94.6Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans89.3131.4171.500000113.6S151 N190 V193 F197S151-G275 WeakPolarHBondContact OG-CA 3.39Å; N190-G275 CarbonylContact O-C 3.43Å; N190-G275 WeakPolarHBondContact O-CA 3.26Å; V193-G275 PolarHBondContact O-N 2.88Å; F197-G275 WeakPolarHBondContact CZ-O 3.38Å
276V94.6Very high94.4Very high3 Ų329.2 Ų29.22%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-122.8131176-62.70000109.9L143 C148 H188 N190 V193 T195 F197L143-V276 HydrophobicContact CD1-CB 4.35Å; L143-V276 HydrophobicContact CD1-CG1 3.93Å; L143-V276 HydrophobicContact CD1-CG2 4.4Å; C148-V276 HydrophobicContact CB-CB 3.84Å; C148-V276 HydrophobicContact CB-CG1 4.3Å; H188-V276 HydrophobicContact CB-CG2 4.36Å; N190-V276 HydrophobicContact CB-CG2 4.09Å; N190-V276 PolarHBondContact N-O 2.88Å; N190-V276 PolarHBondContact O-N 3.21Å; V193-V276 HydrophobicContact CG1-CB 4.09Å; V193-V276 HydrophobicContact CG1-CG1 3.72Å; V193-V276 HydrophobicContact CG1-CG2 3.42Å; V193-V276 VanDerWaalsContact CG1-CG2 3.42Å; T195-V276 HydrophobicContact CG2-CG1 4.15Å; T195-V276 WeakPolarHBondContact OG1-CG1 3.4Å; F197-V276 HydrophobicContact CZ-CG1 3.88Å
277F95.6Very high94.3Very high2 Ų226.1 Ų26.11%0.00912%0.121CC..EExtended strand (participates in β ladder)trans-137.4131.6-177.1-62.4-92000110.4C148 F149 S151 M164 D165 M186 H188 R189 P191C148-F277 CarbonylContact C-O 3.53Å; C148-F277 WeakPolarHBondContact CA-O 3.27Å; F149-F277 PolarHBondContact N-O 3.37Å; F149-F277 PolarHBondContact O-N 2.98Å; S151-F277 WeakPolarHBondContact OG-CE2 3.37Å; M164-F277 HydrophobicContact CB-CB 4.15Å; M164-F277 HydrophobicContact CB-CD2 4.35Å; M164-F277 HydrophobicContact CB-CG 4.25Å; M164-F277 HydrophobicContact CG-CB 3.32Å; M164-F277 HydrophobicContact CG-CD2 4.4Å; M164-F277 HydrophobicContact CG-CG 3.91Å; M164-F277 WeakPolarHBondContact O-CD1 3.11Å; D165-F277 VanDerWaalsContact CA-CZ 3.48Å; D165-F277 HydrophobicContact CB-CE1 4.24Å; D165-F277 HydrophobicContact CB-CE2 3.95Å; D165-F277 HydrophobicContact CB-CZ 3.6Å; M186-F277 HydrophobicContact SD-CB 4.45Å; H188-F277 CarbonylContact O-C 3.57Å; H188-F277 VanDerWaalsContact O-CA 3.27Å; H188-F277 WeakPolarHBondContact O-CA 3.32Å; R189-F277 HydrophobicContact CG-CD1 3.79Å; R189-F277 HydrophobicContact CG-CE1 3.57Å; P191-F277 HydrophobicContact CB-CZ 4.06Å
278S94.5Very high94.3Very high1 Ų123 Ų231%0.00710%0.103CC..EExtended strand (participates in β ladder)trans-134.976.6-179.5-172.50000110.1G147 M186 I187 H188G147-S278 VanDerWaalsContact O-CB 3.27Å; G147-S278 WeakPolarHBondContact O-CB 3.28Å; G147-S278 PolarHBondContact O-OG 3.13Å; M186-S278 CarbonylContact C-O 3.56Å; M186-S278 WeakPolarHBondContact CA-O 3.29Å; M186-S278 VanDerWaalsContact SD-C 3.53Å; I187-S278 PolarHBondContact N-O 3.27Å; H188-S278 PolarHBondContact O-N 2.95Å
279P94.8Very high94.3Very high0 Ų022 Ų220%010%0.095CC..EExtended strand (participates in β ladder)trans-72.4144.317729.9-35000110.9M164 L167 V183 M186 L286 C295M164-P279 HydrophobicContact SD-CG 3.76Å; L167-P279 HydrophobicContact CD2-CB 3.8Å; L167-P279 HydrophobicContact CD2-CG 3.92Å; V183-P279 HydrophobicContact CG1-CB 3.85Å; M186-P279 HydrophobicContact CE-CB 3.78Å; M186-P279 WeakPolarHBondContact SD-CA 3.36Å; M186-P279 HydrophobicContact SD-CB 3.76Å; M186-P279 HydrophobicContact SD-CG 4.34Å; P279-L286 HydrophobicContact CG-CD2 3.71Å; P279-C295 WeakPolarHBondContact O-CB 3.3Å; P279-C295 PolarHBondContact O-SG 3.19Å
280V91.9Very high94.2Very high0 Ų023.4 Ų23.40%010%0.101CC..EExtended strand (participates in β ladder)trans-124.7135.1179.1-177.30000110.2D184 T185 I187 C295 F296D184-V280 PolarHBondContact N-O 2.99Å; T185-V280 HydrophobicContact CG2-CB 3.74Å; T185-V280 HydrophobicContact CG2-CG1 4.4Å; T185-V280 HydrophobicContact CG2-CG2 4.02Å; T185-V280 PolarHBondContact N-O 3.48Å; T185-V280 PolarHBondContact O-N 3.49Å; I187-V280 HydrophobicContact CD1-CG2 3.51Å; I187-V280 HydrophobicContact CG1-CG2 3.69Å; V280-C295 HydrophobicContact CG2-CB 4.41Å; V280-F296 HydrophobicContact CG1-CE1 3.88Å; V280-F296 HydrophobicContact CG1-CZ 3.68Å; V280-F296 HydrophobicContact CG2-CE1 4.19Å
281T93.4Very high94.3Very high0 Ų020.9 Ų20.90%09%0.092CC..EExtended strand (participates in β ladder)trans-111.5163.3174.570.50000110V173 V175 Q283 G284 T285 L286V173-T281 HydrophobicContact CG2-CG2 3.85Å; V175-T281 HydrophobicContact CG1-CG2 3.66Å; T281-Q283 PolarHBondContact O-N 3.49Å; T281-G284 PolarHBondContact O-N 2.86Å; T281-G284 PolarHBondContact OG1-N 3.25Å; T281-T285 PolarHBondContact OG1-O 2.74Å; T281-L286 HydrophobicContact CG2-CD1 4.38Å
282S89.8Confident94.2Very high35 Ų3520.7 Ų20.725%0.2459%0.091CC..THydrogen-bonded Turntrans-63.6-19.4176.4-74.30000113.8D184 L306 K310 K313D184-S282 WeakPolarHBondContact OD2-CB 3.23Å; D184-S282 PolarHBondContact OD2-N 2.76Å; D184-S282 VanDerWaalsContact OD2-N 3.08Å; D184-S282 PolarHBondContact OD2-OG 2.77Å; S282-L306 WeakPolarHBondContact O-CD1 3.43Å; S282-K310 WeakPolarHBondContact O-CE 3.45Å; S282-K313 PolarHBondContact OG-NZ 2.91Å
283Q88.7Confident94.2Very high3 Ų314.7 Ų14.71%0.0147%0.068CC..THydrogen-bonded Turntrans-80.5-26.8172.2-157.1157.2-27.300112.6V175 D176 E232 T281 T285 L306V175-Q283 HydrophobicContact CG2-CB 4.45Å; D176-Q283 PolarHBondContact OD2-NE2 3.47Å; E232-Q283 HydrophobicContact CG-CG 4.3Å; E232-Q283 PolarHBondContact OE2-NE2 3.22Å; T281-Q283 PolarHBondContact O-N 3.49Å; Q283-T285 HydrophobicContact CG-CG2 4.41Å; Q283-T285 VanDerWaalsContact CG-OG1 3.3Å; Q283-T285 WeakPolarHBondContact CG-OG1 3.43Å; Q283-L306 WeakPolarHBondContact O-CD2 3.43Å
284G90Very high94.1Very high0 Ų013.2 Ų13.20%06%0.061CC..SBendtrans78.58.3-17000000114.1T281 S294 C295 H302T281-G284 PolarHBondContact O-N 2.86Å; T281-G284 PolarHBondContact OG1-N 3.25Å; G284-S294 CarbonylContact O-C 3.5Å; G284-S294 PolarHBondContact O-OG 3.04Å; G284-C295 VanDerWaalsContact C-SG 3.53Å; G284-C295 PolarHBondContact O-N 3.2Å; G284-H302 PolarHBondContact O-CE1 2.84Å
285T93.4Very high94.1Very high0 Ų05.7 Ų5.70%03%0.033CC..EExtended strand (participates in β ladder)trans-122.4160.5178.2610000110.6V175 A235 T281 Q283 F292 V293V175-T285 VanDerWaalsContact CG1-O 3.25Å; V175-T285 WeakPolarHBondContact CG1-O 3.28Å; V175-T285 PolarHBondContact O-OG1 2.82Å; A235-T285 HydrophobicContact CB-CG2 3.8Å; T281-T285 PolarHBondContact OG1-O 2.74Å; Q283-T285 HydrophobicContact CG-CG2 4.41Å; Q283-T285 VanDerWaalsContact CG-OG1 3.3Å; Q283-T285 WeakPolarHBondContact CG-OG1 3.43Å; T285-F292 HydrophobicContact CG2-CE1 4.49Å; T285-F292 HydrophobicContact CG2-CE2 3.96Å; T285-F292 HydrophobicContact CG2-CZ 3.59Å; T285-V293 CarbonylContact C-O 3.36Å; T285-V293 VanDerWaalsContact CA-O 3.31Å; T285-V293 WeakPolarHBondContact CA-O 3.44Å
286L95.2Very high93.3Very high0 Ų06 Ų60%03%0.034CC..EExtended strand (participates in β ladder)trans-149.5156.7179-169.762.8000109.5F149 V155 M164 V173 P279 T281 V288 V293F149-L286 HydrophobicContact CE2-CD2 4.07Å; V155-L286 HydrophobicContact CG1-CD1 4Å; V155-L286 HydrophobicContact CG1-CD2 3.78Å; V155-L286 HydrophobicContact CG1-CG 3.97Å; M164-L286 HydrophobicContact CE-CD2 4.4Å; V173-L286 HydrophobicContact CB-CD1 3.86Å; V173-L286 HydrophobicContact CG2-CD1 3.36Å; P279-L286 HydrophobicContact CG-CD2 3.71Å; T281-L286 HydrophobicContact CG2-CD1 4.38Å; L286-V288 HydrophobicContact CB-CG2 4.31Å; L286-V288 HydrophobicContact CD2-CG2 3.49Å; L286-V288 VanDerWaalsContact CD2-CG2 3.49Å; L286-V288 HydrophobicContact CG-CG2 3.7Å; L286-V293 HydrophobicContact CB-CG2 4.07Å; L286-V293 PolarHBondContact N-O 2.94Å; L286-V293 VanDerWaalsContact O-CG2 3.25Å; L286-V293 WeakPolarHBondContact O-CG2 3.45Å; L286-V293 PolarHBondContact O-N 3.03Å
287V96.2Very high92.2Very high1 Ų15.9 Ų5.91%0.0063%0.034CC..EExtended strand (participates in β ladder)trans-111.8116.4169.1-178.30000108.4L174 L254 V291 F292L174-V287 HydrophobicContact CB-CB 4.19Å; L174-V287 HydrophobicContact CB-CG2 4.31Å; L174-V287 HydrophobicContact CD2-CB 4.18Å; L174-V287 HydrophobicContact CD2-CG1 4.18Å; L174-V287 HydrophobicContact CD2-CG2 4.13Å; L174-V287 HydrophobicContact CG-CB 4.27Å; L174-V287 HydrophobicContact CG-CG2 3.98Å; L174-V287 WeakPolarHBondContact O-CB 3.45Å; L174-V287 PolarHBondContact O-N 3.34Å; L254-V287 HydrophobicContact CD1-CB 4.23Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å; L254-V287 HydrophobicContact CD1-CG2 3.36Å; L254-V287 HydrophobicContact CG-CG1 4.45Å; L254-V287 HydrophobicContact CG-CG2 4.42Å; V287-V291 CarbonylContact C-O 3.58Å; V287-V291 WeakPolarHBondContact CA-O 3.45Å; V287-F292 HydrophobicContact CG2-CD2 4.42Å
288V97.2Very high90.5Very high0 Ų09.3 Ų9.30%06%0.055CC..EExtended strand (participates in β ladder)trans-123.9122.4-174.4-177.70000109.4F149 M153 Q154 V155 M164 L208 L286 D290 V291 V293F149-V288 HydrophobicContact CD1-CG1 4.2Å; F149-V288 HydrophobicContact CD1-CG2 4.37Å; F149-V288 HydrophobicContact CE1-CB 4.3Å; F149-V288 HydrophobicContact CE1-CG1 4.34Å; F149-V288 HydrophobicContact CE1-CG2 3.89Å; F149-V288 HydrophobicContact CE2-CG2 4.23Å; F149-V288 HydrophobicContact CZ-CG2 3.81Å; M153-V288 HydrophobicContact CB-CG1 3.64Å; M153-V288 HydrophobicContact CG-CG1 4.13Å; M153-V288 HydrophobicContact SD-CG1 4.31Å; Q154-V288 CarbonylContact O-C 3.6Å; Q154-V288 VanDerWaalsContact O-CA 3.3Å; Q154-V288 WeakPolarHBondContact O-CA 3.4Å; V155-V288 HydrophobicContact CG1-CG2 4.13Å; M164-V288 HydrophobicContact CE-CG1 3.94Å; M164-V288 HydrophobicContact CE-CG2 3.91Å; L208-V288 HydrophobicContact CD1-CB 3.84Å; L208-V288 HydrophobicContact CD1-CG1 3.78Å; L286-V288 HydrophobicContact CB-CG2 4.31Å; L286-V288 HydrophobicContact CD2-CG2 3.49Å; L286-V288 VanDerWaalsContact CD2-CG2 3.49Å; L286-V288 HydrophobicContact CG-CG2 3.7Å; V288-D290 PolarHBondContact O-N 2.85Å; V288-V291 PolarHBondContact N-O 3.48Å; V288-V291 WeakPolarHBondContact O-CB 3.31Å; V288-V291 PolarHBondContact O-N 3.41Å; V288-V293 HydrophobicContact CB-CG2 4.2Å; V288-V293 HydrophobicContact CG2-CG2 3.72Å
289N97.2Very high88.6Confident35 Ų3513 Ų1319%0.1877%0.074CC..THydrogen-bonded Turntrans47.343.1-171.4-66.8-4.5000111.8M153 Q154 S207 V291M153-N289 WeakPolarHBondContact CE-ND2 3.44Å; M153-N289 PolarHBondContact SD-ND2 3.31Å; M153-N289 VanDerWaalsContact SD-ND2 3.35Å; Q154-N289 WeakPolarHBondContact CB-OD1 3.25Å; Q154-N289 PolarHBondContact N-OD1 3.5Å; Q154-N289 PolarHBondContact O-N 2.89Å; Q154-N289 PolarHBondContact O-OD1 3.4Å; S207-N289 WeakPolarHBondContact O-CB 3.36Å; S207-N289 PolarHBondContact O-ND2 3.33Å; N289-V291 PolarHBondContact O-N 2.92Å; N289-V291 VanDerWaalsContact O-N 3.16Å
290D96.4Very high86.5Confident36 Ų3621 Ų2119%0.19311%0.112CC..THydrogen-bonded Turntrans63.98.5-176.7-53.5-32.8000115.7Y161 R206 V253 L254 V288Y161-D290 PolarHBondContact OH-OD1 2.9Å; Y161-D290 VanDerWaalsContact OH-OD1 3.09Å; R206-D290 IonicContact NE-OD2 3.77Å; V253-D290 CarbonylContact C-O 3.6Å; V253-D290 VanDerWaalsContact CA-O 3.27Å; V253-D290 WeakPolarHBondContact CA-O 3.48Å; L254-D290 PolarHBondContact N-O 2.56Å; V288-D290 PolarHBondContact O-N 2.85Å
291V97Very high85.1Confident2 Ų224 Ų241%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-96.5130.3174.1-170.80000109.6R206 L208 V251 V253 V287 V288 N289 V293R206-V291 HydrophobicContact CB-CG2 4.26Å; L208-V291 HydrophobicContact CD1-CB 4.42Å; L208-V291 HydrophobicContact CD2-CG1 4.31Å; V251-V291 HydrophobicContact CB-CG1 3.85Å; V251-V291 HydrophobicContact CG1-CG1 4.44Å; V251-V291 HydrophobicContact CG2-CG1 3.85Å; V253-V291 HydrophobicContact CG1-CG2 4.17Å; V287-V291 CarbonylContact C-O 3.58Å; V287-V291 WeakPolarHBondContact CA-O 3.45Å; V288-V291 PolarHBondContact N-O 3.48Å; V288-V291 WeakPolarHBondContact O-CB 3.31Å; V288-V291 PolarHBondContact O-N 3.41Å; N289-V291 PolarHBondContact O-N 2.92Å; N289-V291 VanDerWaalsContact O-N 3.16Å; V291-V293 HydrophobicContact CB-CG1 4.47Å; V291-V293 HydrophobicContact CG1-CG1 4.15Å
292F96Very high83.7Confident1 Ų124 Ų240%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-78.1124.2175.8174.5-94.4000110.8V175 P217 L231 A235 I252 T285 V287V175-F292 VanDerWaalsContact O-CE2 3.29Å; V175-F292 WeakPolarHBondContact O-CE2 3.42Å; P217-F292 HydrophobicContact CG-CD1 3.92Å; P217-F292 HydrophobicContact CG-CE1 3.94Å; L231-F292 HydrophobicContact CB-CD1 4.45Å; L231-F292 HydrophobicContact CB-CD2 4.23Å; L231-F292 HydrophobicContact CB-CE1 3.97Å; L231-F292 HydrophobicContact CB-CE2 3.71Å; L231-F292 HydrophobicContact CB-CZ 3.57Å; L231-F292 HydrophobicContact CD1-CD2 3.93Å; L231-F292 HydrophobicContact CD1-CE2 4.23Å; L231-F292 HydrophobicContact CD1-CG 4.16Å; L231-F292 VanDerWaalsContact O-CE1 3.31Å; L231-F292 WeakPolarHBondContact O-CE1 3.45Å; L231-F292 VanDerWaalsContact O-CZ 3.25Å; L231-F292 WeakPolarHBondContact O-CZ 3.3Å; A235-F292 HydrophobicContact CB-CE1 3.88Å; A235-F292 HydrophobicContact CB-CZ 4.02Å; I252-F292 HydrophobicContact CB-CB 4.12Å; I252-F292 HydrophobicContact CB-CD1 4.45Å; I252-F292 HydrophobicContact CD1-CD1 4.15Å; I252-F292 HydrophobicContact CG2-CB 4.03Å; I252-F292 PolarHBondContact O-N 3.4Å; T285-F292 HydrophobicContact CG2-CE1 4.49Å; T285-F292 HydrophobicContact CG2-CE2 3.96Å; T285-F292 HydrophobicContact CG2-CZ 3.59Å; V287-F292 HydrophobicContact CG2-CD2 4.42Å
293V94.8Very high82.9Confident0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-139.1161.4-170.8-61.70000111.9F149 L208 I216 T285 L286 V288 V291F149-V293 HydrophobicContact CE1-CG2 4Å; F149-V293 HydrophobicContact CZ-CB 4.43Å; F149-V293 HydrophobicContact CZ-CG2 3.62Å; L208-V293 HydrophobicContact CD1-CG1 4.19Å; L208-V293 HydrophobicContact CD2-CG1 3.6Å; I216-V293 HydrophobicContact CG2-CB 4.22Å; I216-V293 HydrophobicContact CG2-CG1 3.91Å; T285-V293 CarbonylContact C-O 3.36Å; T285-V293 VanDerWaalsContact CA-O 3.31Å; T285-V293 WeakPolarHBondContact CA-O 3.44Å; L286-V293 HydrophobicContact CB-CG2 4.07Å; L286-V293 PolarHBondContact N-O 2.94Å; L286-V293 VanDerWaalsContact O-CG2 3.25Å; L286-V293 WeakPolarHBondContact O-CG2 3.45Å; L286-V293 PolarHBondContact O-N 3.03Å; V288-V293 HydrophobicContact CB-CG2 4.2Å; V288-V293 HydrophobicContact CG2-CG2 3.72Å; V291-V293 HydrophobicContact CB-CG1 4.47Å; V291-V293 HydrophobicContact CG1-CG1 4.15Å
294S92.4Very high82.3Confident0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-80.4161.8168.7-170.30000111.2H214 L215 G284 F296 H302H214-S294 PolarHBondContact NE2-O 3.37Å; L215-S294 WeakPolarHBondContact O-CB 3.35Å; L215-S294 PolarHBondContact O-N 3.41Å; G284-S294 CarbonylContact O-C 3.5Å; G284-S294 PolarHBondContact O-OG 3.04Å; S294-F296 PolarHBondContact OG-N 3.42Å; S294-H302 PolarHBondContact OG-CE1 3.44Å; S294-H302 PolarHBondContact OG-ND1 3.48Å
295C91.2Very high81.4Confident0 Ų032.9 Ų32.90%017%0.166CC..SBendtrans-88.3-0.8170.6-65.70000113.8P279 V280 G284P279-C295 WeakPolarHBondContact O-CB 3.3Å; P279-C295 PolarHBondContact O-SG 3.19Å; V280-C295 HydrophobicContact CG2-CB 4.41Å; G284-C295 VanDerWaalsContact C-SG 3.53Å; G284-C295 PolarHBondContact O-N 3.2Å
296F79.9Confident80.7Confident6 Ų633.3 Ų33.33%0.02617%0.168CC..  trans-127.4164.5-153-78.2-45.2000113.9I187 L215 V280 S294 Q305 L306 H309I187-F296 HydrophobicContact CD1-CD1 4.43Å; I187-F296 HydrophobicContact CD1-CE1 4.37Å; L215-F296 WeakPolarHBondContact CB-O 3.43Å; L215-F296 PolarHBondContact N-O 2.89Å; L215-F296 VanDerWaalsContact N-O 3.11Å; V280-F296 HydrophobicContact CG1-CE1 3.88Å; V280-F296 HydrophobicContact CG1-CZ 3.68Å; V280-F296 HydrophobicContact CG2-CE1 4.19Å; S294-F296 PolarHBondContact OG-N 3.42Å; F296-Q305 HydrophobicContact CB-CB 4.14Å; F296-Q305 HydrophobicContact CB-CG 4.46Å; F296-Q305 HydrophobicContact CD1-CB 3.72Å; F296-Q305 HydrophobicContact CD2-CB 3.81Å; F296-Q305 HydrophobicContact CE1-CB 4.06Å; F296-Q305 HydrophobicContact CE2-CB 4.13Å; F296-Q305 HydrophobicContact CG-CB 3.6Å; F296-Q305 HydrophobicContact CG-CG 4.4Å; F296-Q305 HydrophobicContact CZ-CB 4.26Å; F296-L306 HydrophobicContact CE2-CB 4.02Å; F296-L306 HydrophobicContact CE2-CD1 4.18Å; F296-H309 HydrophobicContact CE1-CB 4.45Å; F296-H309 HydrophobicContact CZ-CB 4Å
297S70.9Confident80.2Confident1 Ų138.6 Ų38.61%0.00720%0.196CC..BIsolated β-bridgetrans-149.2169.917866.70000114.2G146 G147 E213 L299 Q305G146-S297 WeakPolarHBondContact CA-OG 3.35Å; G146-S297 PolarHBondContact N-OG 3.08Å; G147-S297 PolarHBondContact N-OG 3.22Å; E213-S297 WeakPolarHBondContact O-CB 3.29Å; S297-L299 PolarHBondContact O-N 3.38Å; S297-Q305 VanDerWaalsContact C-NE2 3.35Å; S297-Q305 PolarHBondContact O-NE2 3.42Å; S297-Q305 PolarHBondContact O-OE1 2.9Å
298T58.9Low79.5Confident74 Ų7441.2 Ų41.245%0.45421%0.207SC..SBendtrans66.7-21.9164.853.70000118.8
299L55Low78.8Confident78 Ų7841.8 Ų41.841%0.40821%0.21SC..SBendtrans-102.4115.5161.7-60.9176.7000107.6S297 N301 Q305S297-L299 PolarHBondContact O-N 3.38Å; L299-N301 PolarHBondContact O-N 3.38Å; L299-Q305 HydrophobicContact CB-CG 3.85Å; L299-Q305 HydrophobicContact CD1-CG 3.85Å; L299-Q305 HydrophobicContact CG-CG 4.2Å; L299-Q305 PolarHBondContact O-NE2 2.97Å
300E51.5Low78.2Confident170 Ų17044.1 Ų44.179%0.79422%0.219SC*.SBendtrans-52.5-17.2179.6-67.6-175.9154.900113.2
301N62.5Low77.9Confident61 Ų6144.8 Ų44.833%0.32623%0.229SC..  trans-106.2100.1176.8-170.5-8.1000111.5L299 N303 F304L299-N301 PolarHBondContact O-N 3.38Å; N301-N303 PolarHBondContact O-N 3.46Å; N301-N303 VanDerWaalsContact O-N 3.12Å; N301-N303 VanDerWaalsContact OD1-CB 3.29Å; N301-N303 WeakPolarHBondContact OD1-CB 3.5Å; N301-N303 PolarHBondContact OD1-N 3.26Å; N301-N303 VanDerWaalsContact OD1-N 3.11Å; N301-N303 PolarHBondContact OD1-ND2 2.78Å; N301-F304 HydrophobicContact CB-CD2 3.67Å; N301-F304 HydrophobicContact CB-CE2 4.25Å; N301-F304 VanDerWaalsContact ND2-CD2 3.28Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.4Å; N301-F304 WeakPolarHBondContact ND2-CE2 3.27Å; N301-F304 PolarHBondContact O-N 2.98Å; N301-F304 VanDerWaalsContact O-N 3.09Å
302H63.6Low77.4Confident1 Ų146.7 Ų46.71%0.00524%0.241CC..Hα-helixtrans-44.8-38171.2176.689000113.1G284 S294 F304 Q305 L306G284-H302 PolarHBondContact O-CE1 2.84Å; S294-H302 PolarHBondContact OG-CE1 3.44Å; S294-H302 PolarHBondContact OG-ND1 3.48Å; H302-F304 VanDerWaalsContact C-N 3.35Å; H302-F304 PolarHBondContact O-N 2.94Å; H302-Q305 PolarHBondContact O-N 3.1Å; H302-L306 WeakPolarHBondContact O-CB 3.44Å; H302-L306 PolarHBondContact O-N 2.95Å
303N73.4Confident76.9Confident78 Ų7849.1 Ų49.142%0.41725%0.251SS..Hα-helixtrans-66.3-35.3-176.6-59.5-31.9000112.5S236 N301 L307S236-N303 PolarHBondContact OG-ND2 3.25Å; S236-N303 PolarHBondContact OG-OD1 2.71Å; N301-N303 PolarHBondContact O-N 3.46Å; N301-N303 VanDerWaalsContact O-N 3.12Å; N301-N303 VanDerWaalsContact OD1-CB 3.29Å; N301-N303 WeakPolarHBondContact OD1-CB 3.5Å; N301-N303 PolarHBondContact OD1-N 3.26Å; N301-N303 VanDerWaalsContact OD1-N 3.11Å; N301-N303 PolarHBondContact OD1-ND2 2.78Å; N303-L307 VanDerWaalsContact O-CB 3.23Å; N303-L307 WeakPolarHBondContact O-CB 3.25Å; N303-L307 PolarHBondContact O-N 2.9Å
304F75.3Confident76.6Confident126 Ų12652.4 Ų52.455%0.55327%0.274SS*.Hα-helixtrans-69.5-41.6178.8-77.6-57.8000111.6N301 H302 L306 L307 F308N301-F304 HydrophobicContact CB-CD2 3.67Å; N301-F304 HydrophobicContact CB-CE2 4.25Å; N301-F304 VanDerWaalsContact ND2-CD2 3.28Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.4Å; N301-F304 WeakPolarHBondContact ND2-CE2 3.27Å; N301-F304 PolarHBondContact O-N 2.98Å; N301-F304 VanDerWaalsContact O-N 3.09Å; H302-F304 VanDerWaalsContact C-N 3.35Å; H302-F304 PolarHBondContact O-N 2.94Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.91Å; F304-L307 PolarHBondContact O-N 3.26Å; F304-F308 WeakPolarHBondContact O-CB 3.48Å; F304-F308 PolarHBondContact O-N 3.32Å
305Q71.2Confident76.5Confident21 Ų2156.1 Ų56.110%0.09830%0.297CS..Hα-helixtrans-63.4-43.3176.8-64.6-172.758.700111F296 S297 L299 H302 F308 H309F296-Q305 HydrophobicContact CB-CB 4.14Å; F296-Q305 HydrophobicContact CB-CG 4.46Å; F296-Q305 HydrophobicContact CD1-CB 3.72Å; F296-Q305 HydrophobicContact CD2-CB 3.81Å; F296-Q305 HydrophobicContact CE1-CB 4.06Å; F296-Q305 HydrophobicContact CE2-CB 4.13Å; F296-Q305 HydrophobicContact CG-CB 3.6Å; F296-Q305 HydrophobicContact CG-CG 4.4Å; F296-Q305 HydrophobicContact CZ-CB 4.26Å; S297-Q305 VanDerWaalsContact C-NE2 3.35Å; S297-Q305 PolarHBondContact O-NE2 3.42Å; S297-Q305 PolarHBondContact O-OE1 2.9Å; L299-Q305 HydrophobicContact CB-CG 3.85Å; L299-Q305 HydrophobicContact CD1-CG 3.85Å; L299-Q305 HydrophobicContact CG-CG 4.2Å; L299-Q305 PolarHBondContact O-NE2 2.97Å; H302-Q305 PolarHBondContact O-N 3.1Å; Q305-F308 PolarHBondContact O-N 2.83Å; Q305-H309 WeakPolarHBondContact O-CB 3.29Å; Q305-H309 PolarHBondContact O-N 3.27Å
306L78.5Confident76.3Confident9 Ų961.9 Ų61.95%0.04732%0.318CS..Hα-helixtrans-61.9-45.4174.7-17658.5000112.2S282 Q283 F296 H302 F304 H309 K310S282-L306 WeakPolarHBondContact O-CD1 3.43Å; Q283-L306 WeakPolarHBondContact O-CD2 3.43Å; F296-L306 HydrophobicContact CE2-CB 4.02Å; F296-L306 HydrophobicContact CE2-CD1 4.18Å; H302-L306 WeakPolarHBondContact O-CB 3.44Å; H302-L306 PolarHBondContact O-N 2.95Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.91Å; L306-H309 PolarHBondContact O-N 3Å; L306-K310 HydrophobicContact CD1-CD 4.27Å; L306-K310 HydrophobicContact CD1-CG 4.38Å; L306-K310 HydrophobicContact CG-CD 4.1Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.27Å; L306-K310 PolarHBondContact O-N 2.98Å
307L84.1Confident76.7Confident110 Ų11066.8 Ų66.858%0.57634%0.342SS*.Hα-helixtrans-62.3-45.7178.8-17866.3000111.3N303 F304 K310 A311N303-L307 VanDerWaalsContact O-CB 3.23Å; N303-L307 WeakPolarHBondContact O-CB 3.25Å; N303-L307 PolarHBondContact O-N 2.9Å; F304-L307 PolarHBondContact O-N 3.26Å; L307-K310 PolarHBondContact O-N 3.26Å; L307-A311 WeakPolarHBondContact O-CB 3.34Å; L307-A311 PolarHBondContact O-N 3.46Å
308F82.7Confident77.7Confident56 Ų5671 Ų7125%0.24636%0.364CS..Hα-helixtrans-62.1-44.4177.3-177-100.9000111.5F304 Q305 A311 T312 Y342 L346 L349F304-F308 WeakPolarHBondContact O-CB 3.48Å; F304-F308 PolarHBondContact O-N 3.32Å; Q305-F308 PolarHBondContact O-N 2.83Å; F308-A311 PolarHBondContact O-N 3.33Å; F308-T312 HydrophobicContact CD1-CG2 4.28Å; F308-T312 HydrophobicContact CE1-CG2 3.93Å; F308-T312 HydrophobicContact CE2-CG2 4.27Å; F308-T312 HydrophobicContact CZ-CG2 3.91Å; F308-T312 WeakPolarHBondContact O-CG2 3Å; F308-T312 PolarHBondContact O-N 2.8Å; F308-T312 PolarHBondContact O-OG1 3.34Å; F308-Y342 HydrophobicContact CD1-CE2 4.18Å; F308-Y342 HydrophobicContact CE1-CD2 4.15Å; F308-Y342 AromaticContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CE1-CE2 3.44Å; F308-Y342 VanDerWaalsContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CZ-CE2 4.35Å; F308-L346 HydrophobicContact CD1-CD2 4.19Å; F308-L346 HydrophobicContact CE1-CD1 4.32Å; F308-L346 HydrophobicContact CE1-CD2 3.41Å; F308-L346 VanDerWaalsContact CE1-CD2 3.41Å; F308-L346 HydrophobicContact CE1-CG 3.88Å; F308-L346 HydrophobicContact CE2-CD2 4.29Å; F308-L346 HydrophobicContact CZ-CD2 3.49Å; F308-L346 VanDerWaalsContact CZ-CD2 3.49Å; F308-L346 HydrophobicContact CZ-CG 3.94Å; F308-L349 HydrophobicContact CE2-CD1 3.82Å; F308-L349 HydrophobicContact CZ-CD1 4.4Å
309H81.4Confident79.2Confident12 Ų1270.6 Ų70.66%0.05636%0.358CS..Hα-helixtrans-61.6-45.6175.2-178.762.2000112.1T185 F296 Q305 L306 A311 T312 K313T185-H309 WeakPolarHBondContact CG2-CE1 3.31Å; F296-H309 HydrophobicContact CE1-CB 4.45Å; F296-H309 HydrophobicContact CZ-CB 4Å; Q305-H309 WeakPolarHBondContact O-CB 3.29Å; Q305-H309 PolarHBondContact O-N 3.27Å; L306-H309 PolarHBondContact O-N 3Å; H309-A311 PolarHBondContact O-N 2.87Å; H309-T312 WeakPolarHBondContact CA-OG1 3.31Å; H309-T312 PolarHBondContact O-N 3Å; H309-T312 PolarHBondContact O-OG1 2.93Å; H309-K313 WeakPolarHBondContact O-CB 3.47Å; H309-K313 PolarHBondContact O-N 2.87Å
310K86.3Confident80.7Confident85 Ų8570 Ų7037%0.3736%0.355SS..Hα-helixtrans-60.7-44.6175.8-75.4174.8177.7171.30111.6S282 L306 L307 K313 S314S282-K310 WeakPolarHBondContact O-CE 3.45Å; L306-K310 HydrophobicContact CD1-CD 4.27Å; L306-K310 HydrophobicContact CD1-CG 4.38Å; L306-K310 HydrophobicContact CG-CD 4.1Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CG 3.31Å; L306-K310 WeakPolarHBondContact O-CG 3.27Å; L306-K310 PolarHBondContact O-N 2.98Å; L307-K310 PolarHBondContact O-N 3.26Å; K310-K313 PolarHBondContact O-N 3.47Å; K310-S314 PolarHBondContact O-N 3.3Å; K310-S314 PolarHBondContact O-OG 3Å; K310-S314 VanDerWaalsContact O-OG 3.1Å
311A89.5Confident82.5Confident49 Ų4966.2 Ų66.241%0.40534%0.339SS..Hα-helixtrans-62-47.6178.400000112.1L307 F308 H309 K313 S314 V315L307-A311 WeakPolarHBondContact O-CB 3.34Å; L307-A311 PolarHBondContact O-N 3.46Å; F308-A311 PolarHBondContact O-N 3.33Å; H309-A311 PolarHBondContact O-N 2.87Å; A311-K313 VanDerWaalsContact C-N 3.35Å; A311-K313 PolarHBondContact O-N 3.47Å; A311-S314 PolarHBondContact O-N 3.44Å; A311-V315 WeakPolarHBondContact O-CG2 3.4Å; A311-V315 PolarHBondContact O-N 3.19Å
312T85.3Confident83.8Confident43 Ų4366.4 Ų66.426%0.26434%0.339SS..Hα-helixtrans-63-39.4177.952.70000112.1F308 H309 V315 R316 Y342F308-T312 HydrophobicContact CD1-CG2 4.28Å; F308-T312 HydrophobicContact CE1-CG2 3.93Å; F308-T312 HydrophobicContact CE2-CG2 4.27Å; F308-T312 HydrophobicContact CZ-CG2 3.91Å; F308-T312 WeakPolarHBondContact O-CG2 3Å; F308-T312 PolarHBondContact O-N 2.8Å; F308-T312 PolarHBondContact O-OG1 3.34Å; H309-T312 WeakPolarHBondContact CA-OG1 3.31Å; H309-T312 PolarHBondContact O-N 3Å; H309-T312 PolarHBondContact O-OG1 2.93Å; T312-V315 PolarHBondContact O-N 3.34Å; T312-R316 WeakPolarHBondContact O-CB 3.4Å; T312-R316 PolarHBondContact O-N 3.37Å; T312-Y342 HydrophobicContact CG2-CD2 4.44Å; T312-Y342 HydrophobicContact CG2-CE2 4.49Å
313K86.1Confident84.8Confident51 Ų5170.1 Ų70.122%0.22236%0.362CS..Hα-helixtrans-61-47.6172.4-179.6175.2172.9174.20111.8D184 S282 H309 K310 A311 R316 Q317D184-K313 IonicContact OD1-NZ 3.08Å; D184-K313 PolarHBondContact OD1-NZ 3.22Å; D184-K313 IonicContact OD2-NZ 3.88Å; D184-K313 PolarHBondContact OD2-NZ 3.5Å; S282-K313 PolarHBondContact OG-NZ 2.91Å; H309-K313 WeakPolarHBondContact O-CB 3.47Å; H309-K313 PolarHBondContact O-N 2.87Å; K310-K313 PolarHBondContact O-N 3.47Å; A311-K313 VanDerWaalsContact C-N 3.35Å; A311-K313 PolarHBondContact O-N 3.47Å; K313-R316 PolarHBondContact O-N 3.35Å; K313-Q317 WeakPolarHBondContact O-CG 3.4Å; K313-Q317 PolarHBondContact O-N 3.47Å
314S89.3Confident85.3Confident69 Ų6975.8 Ų75.848%0.48338%0.378SS..Hα-helixtrans-61.5-44.4178-650000112.2K310 A311 R316 Q317 L318K310-S314 PolarHBondContact O-N 3.3Å; K310-S314 PolarHBondContact O-OG 3Å; K310-S314 VanDerWaalsContact O-OG 3.1Å; A311-S314 PolarHBondContact O-N 3.44Å; S314-R316 PolarHBondContact O-N 3.38Å; S314-Q317 PolarHBondContact O-N 3.08Å; S314-L318 WeakPolarHBondContact O-CB 3.43Å; S314-L318 PolarHBondContact O-N 2.86Å
315V89.9Confident85.5Confident78 Ų7874.9 Ų74.947%0.47338%0.378SS..Hα-helixtrans-61.4-45.4175.71710000110.9A311 T312 Q317 L318 L319A311-V315 WeakPolarHBondContact O-CG2 3.4Å; A311-V315 PolarHBondContact O-N 3.19Å; T312-V315 PolarHBondContact O-N 3.34Å; V315-Q317 VanDerWaalsContact C-N 3.33Å; V315-Q317 PolarHBondContact O-N 2.81Å; V315-L318 PolarHBondContact O-N 3.21Å; V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CB 3.33Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 3.44Å
316R87.4Confident85.3Confident121 Ų12181 Ų8146%0.45741%0.405SS..Hα-helixtrans-60.5-41.7176.2-179.9-179.5172.5-162.4-2.5111.8T312 K313 S314 N320T312-R316 WeakPolarHBondContact O-CB 3.4Å; T312-R316 PolarHBondContact O-N 3.37Å; K313-R316 PolarHBondContact O-N 3.35Å; S314-R316 PolarHBondContact O-N 3.38Å; R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.39Å; R316-N320 PolarHBondContact O-N 3.35Å; R316-N320 PolarHBondContact O-ND2 3.18Å
317Q88.4Confident84.3Confident110 Ų11090.6 Ų90.651%0.51444%0.44SS..Hα-helixtrans-64.6-43.7176.7-74.7176.2-20.600111.7K313 S314 V315 N320 M321K313-Q317 WeakPolarHBondContact O-CG 3.4Å; K313-Q317 PolarHBondContact O-N 3.47Å; S314-Q317 PolarHBondContact O-N 3.08Å; V315-Q317 VanDerWaalsContact C-N 3.33Å; V315-Q317 PolarHBondContact O-N 2.81Å; Q317-N320 PolarHBondContact O-N 3.42Å; Q317-M321 WeakPolarHBondContact O-CB 3.28Å; Q317-M321 PolarHBondContact O-N 3.48Å
318L91.5Very high83Confident90 Ų9090 Ų9047%0.47145%0.445SS..Hα-helixtrans-61.5-46.9175.7178.159.6000111.5S314 V315 N320 M321 L322S314-L318 WeakPolarHBondContact O-CB 3.43Å; S314-L318 PolarHBondContact O-N 2.86Å; V315-L318 PolarHBondContact O-N 3.21Å; L318-N320 PolarHBondContact O-N 2.85Å; L318-M321 HydrophobicContact CD1-CE 3.8Å; L318-M321 WeakPolarHBondContact O-CB 3.37Å; L318-M321 PolarHBondContact O-N 2.88Å; L318-M321 VanDerWaalsContact O-N 3.11Å; L318-L322 HydrophobicContact CD1-CD1 4.24Å; L318-L322 HydrophobicContact CD1-CG 4.19Å; L318-L322 HydrophobicContact CG-CD1 4.08Å; L318-L322 HydrophobicContact CG-CG 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.36Å; L318-L322 PolarHBondContact O-N 2.87Å
319L90.1Very high81.6Confident65 Ų6594.7 Ų94.734%0.3447%0.468SS..Hα-helixtrans-66.2-37.4178.3-68.4173.5000112.1V315 M321 L322 T323 W338V315-L319 HydrophobicContact CG1-CD1 3.78Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CB 3.33Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 3.44Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.94Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.43Å; L319-T323 WeakPolarHBondContact O-CB 3.43Å; L319-T323 WeakPolarHBondContact O-CG2 2.91Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 PolarHBondContact O-OG1 2.89Å; L319-W338 HydrophobicContact CB-CZ2 4.49Å; L319-W338 HydrophobicContact CD1-CH2 3.29Å; L319-W338 HydrophobicContact CD1-CZ2 4.01Å; L319-W338 HydrophobicContact CD1-CZ3 4.11Å
320N87.5Confident80Confident64 Ų64102.4 Ų102.434%0.34250%0.504SS..Hα-helixtrans-64.4-34171.4-74.8-23.7000112.4R316 Q317 L318 T323 R324R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.39Å; R316-N320 PolarHBondContact O-N 3.35Å; R316-N320 PolarHBondContact O-ND2 3.18Å; Q317-N320 PolarHBondContact O-N 3.42Å; L318-N320 PolarHBondContact O-N 2.85Å; N320-T323 VanDerWaalsContact CA-OG1 3.3Å; N320-T323 WeakPolarHBondContact CA-OG1 3.35Å; N320-T323 PolarHBondContact O-OG1 2.67Å; N320-R324 WeakPolarHBondContact O-CG 3.09Å; N320-R324 PolarHBondContact O-N 3.08Å
321M89Confident77.6Confident92 Ų92104.3 Ų104.345%0.45353%0.526SS..Hα-helixtrans-71.6-48.1175.2-177.3-83.7-82.400111.1Q317 L318 L319 T323 R324 L325Q317-M321 WeakPolarHBondContact O-CB 3.28Å; Q317-M321 PolarHBondContact O-N 3.48Å; L318-M321 HydrophobicContact CD1-CE 3.8Å; L318-M321 WeakPolarHBondContact O-CB 3.37Å; L318-M321 PolarHBondContact O-N 2.88Å; L318-M321 VanDerWaalsContact O-N 3.11Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 2.94Å; M321-T323 PolarHBondContact O-N 3.24Å; M321-R324 WeakPolarHBondContact O-CB 3.32Å; M321-R324 PolarHBondContact O-N 2.73Å; M321-L325 PolarHBondContact O-N 3.34Å; M321-L325 VanDerWaalsContact O-N 3.08Å; M321-L325 HydrophobicContact SD-CD1 3.56Å; M321-L325 VanDerWaalsContact SD-CD1 3.56Å; M321-L325 HydrophobicContact SD-CG 4.06Å
322L89.1Confident75.5Confident64 Ų64107.1 Ų107.134%0.33554%0.543SS..Hα-helixtrans-59.5-46.3176.7-69.6173.5000111.2L318 L319 R324 L325 F326L318-L322 HydrophobicContact CD1-CD1 4.24Å; L318-L322 HydrophobicContact CD1-CG 4.19Å; L318-L322 HydrophobicContact CG-CD1 4.08Å; L318-L322 HydrophobicContact CG-CG 4.45Å; L318-L322 WeakPolarHBondContact O-CG 3.36Å; L318-L322 PolarHBondContact O-N 2.87Å; L319-L322 HydrophobicContact CD2-CD1 4.39Å; L319-L322 PolarHBondContact O-N 3.43Å; L322-R324 VanDerWaalsContact C-N 3.25Å; L322-R324 PolarHBondContact O-N 2.84Å; L322-L325 WeakPolarHBondContact O-CB 3.37Å; L322-L325 PolarHBondContact O-N 2.77Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.49Å
323T84.1Confident73.7Confident79 Ų79113.9 Ų113.949%0.48557%0.565SS.*Hα-helixtrans-61.9-31.1175.752.50000112.4L319 N320 M321 R327L319-T323 WeakPolarHBondContact O-CB 3.43Å; L319-T323 WeakPolarHBondContact O-CG2 2.91Å; L319-T323 PolarHBondContact O-N 3.45Å; L319-T323 PolarHBondContact O-OG1 2.89Å; N320-T323 VanDerWaalsContact CA-OG1 3.3Å; N320-T323 WeakPolarHBondContact CA-OG1 3.35Å; N320-T323 PolarHBondContact O-OG1 2.67Å; M321-T323 PolarHBondContact O-N 3.24Å; T323-R327 WeakPolarHBondContact O-CA 3.34Å; T323-R327 WeakPolarHBondContact O-CB 3.2Å; T323-R327 PolarHBondContact O-N 3.24Å
324R84.1Confident71.9Confident197 Ų197117 Ų11774%0.74359%0.589SS**Hα-helixtrans-68.3-38.2172.1-75170.7-175-164.41.9112.7N320 M321 L322N320-R324 WeakPolarHBondContact O-CG 3.09Å; N320-R324 PolarHBondContact O-N 3.08Å; M321-R324 WeakPolarHBondContact O-CB 3.32Å; M321-R324 PolarHBondContact O-N 2.73Å; L322-R324 VanDerWaalsContact C-N 3.25Å; L322-R324 PolarHBondContact O-N 2.84Å
325L79.7Confident69.8Low107 Ų107123.7 Ų123.756%0.5660%0.603SS**Hα-helixtrans-64.2-46.5175.1-64.9177000110.9M321 L322 S328M321-L325 PolarHBondContact O-N 3.34Å; M321-L325 VanDerWaalsContact O-N 3.08Å; M321-L325 HydrophobicContact SD-CD1 3.56Å; M321-L325 VanDerWaalsContact SD-CD1 3.56Å; M321-L325 HydrophobicContact SD-CG 4.06Å; L322-L325 WeakPolarHBondContact O-CB 3.37Å; L322-L325 PolarHBondContact O-N 2.77Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L325-S328 PolarHBondContact O-OG 3.45Å
326F67.5Low68.2Low150 Ų150124.4 Ų124.466%0.65860%0.603SS**Hα-helixtrans-76.5-23.9179.7-71-70.9000114.4L322 S328 Q329L322-F326 WeakPolarHBondContact O-CD2 3.38Å; L322-F326 PolarHBondContact O-N 3.49Å; F326-S328 PolarHBondContact O-N 2.91Å; F326-S328 VanDerWaalsContact O-N 3.14Å; F326-Q329 PolarHBondContact O-N 2.96Å
327R58.3Low66.6Low210 Ų210122 Ų12279%0.79261%0.605SS**THydrogen-bonded Turntrans-67.7-8.8175.8-175.5170.3178.3176.9-0.9113.2T323 Q329T323-R327 WeakPolarHBondContact O-CA 3.34Å; T323-R327 WeakPolarHBondContact O-CB 3.2Å; T323-R327 PolarHBondContact O-N 3.24Å; R327-Q329 VanDerWaalsContact C-N 3.27Å
328S55Low65Low97 Ų97121.2 Ų121.268%0.67860%0.597SS**THydrogen-bonded Turntrans-74-12168.668.90000113.9L325 F326L325-S328 PolarHBondContact O-OG 3.45Å; F326-S328 PolarHBondContact O-N 2.91Å; F326-S328 VanDerWaalsContact O-N 3.14Å
329Q54.8Low63.5Low156 Ų156122.3 Ų122.373%0.72960%0.604SS**THydrogen-bonded Turntrans-126.3-16.2-174.1-80.6179.8-9.900117.4F326 R327F326-Q329 PolarHBondContact O-N 2.96Å; R327-Q329 VanDerWaalsContact C-N 3.27Å
330H46.3Very low62.1Low174 Ų174122.5 Ų122.581%0.80661%0.611SS**  trans-145.6132172-83.6-81.4000113.8
331C36.8Very low60.8Low124 Ų124123.5 Ų123.584%0.83862%0.616SS**  trans-81.7114.1175.1-163.50000109.5
332S45.8Very low59.7Low108 Ų108122.1 Ų122.176%0.75561%0.606SS**  trans164.2102140.2-76.70000111.8
333Y47Very low58.8Low185 Ų185124 Ų12473%0.72562%0.615SS**  trans11.8104.5139.3-161.1-96.4000118.4R335Y333-R335 HydrophobicContact CE1-CB 4.14Å
334T49.2Very low58.1Low118 Ų118125.2 Ų125.272%0.72462%0.615SS**  trans-125.4111.7143.858.70000109I336T334-I336 VanDerWaalsContact C-N 3.31Å; T334-I336 PolarHBondContact O-N 3.1Å; T334-I336 VanDerWaalsContact O-N 3.12Å
335R44.7Very low57.7Low208 Ų208118 Ų11879%0.78560%0.595SS**  trans-81.281.5172.9-173.7-170.9-106-167.8-2.8107.4Y333 S337Y333-R335 HydrophobicContact CE1-CB 4.14Å; R335-S337 PolarHBondContact O-N 3.38Å
336I55.2Low57.3Low93 Ų93115.7 Ų115.748%0.47758%0.583SS.*  trans-71114.6171.3-58.6173.4000107.4T334 W338 L341T334-I336 VanDerWaalsContact C-N 3.31Å; T334-I336 PolarHBondContact O-N 3.1Å; T334-I336 VanDerWaalsContact O-N 3.12Å; I336-W338 PolarHBondContact O-N 2.95Å; I336-L341 HydrophobicContact CG2-CD1 3.45Å; I336-L341 VanDerWaalsContact CG2-CD1 3.45Å
337S54.4Low57.7Low71 Ų71114.7 Ų114.750%0.49758%0.582SS.*  trans-72.9107.9172.71770000109.1R335 D339 S340R335-S337 PolarHBondContact O-N 3.38Å; S337-D339 PolarHBondContact O-N 2.82Å; S337-S340 PolarHBondContact O-N 2.74Å
338W54.4Low58.7Low93 Ų93113.1 Ų113.135%0.35258%0.576SS.*Hα-helixtrans-65.3-26-178.7-73.192.1000113.2L319 I336 S340 L341 Y342L319-W338 HydrophobicContact CB-CZ2 4.49Å; L319-W338 HydrophobicContact CD1-CH2 3.29Å; L319-W338 HydrophobicContact CD1-CZ2 4.01Å; L319-W338 HydrophobicContact CD1-CZ3 4.11Å; I336-W338 PolarHBondContact O-N 2.95Å; W338-S340 PolarHBondContact O-N 2.96Å; W338-L341 PolarHBondContact O-N 3.28Å; W338-Y342 WeakPolarHBondContact O-CB 3.46Å; W338-Y342 PolarHBondContact O-N 3.27Å
339D60.8Low59.9Low113 Ų113112.7 Ų112.760%0.60457%0.566SS**Hα-helixtrans-62.9-33.6-179.4-57-24.1000111.2S337 I343S337-D339 PolarHBondContact O-N 2.82Å; D339-I343 WeakPolarHBondContact O-CG1 3.11Å; D339-I343 PolarHBondContact O-N 2.8Å
340S60.4Low60.9Low69 Ų69107.6 Ų107.648%0.48355%0.55SS..Hα-helixtrans-71.1-44.1176.4-161.40000112S337 W338 Y342 E344S337-S340 PolarHBondContact O-N 2.74Å; W338-S340 PolarHBondContact O-N 2.96Å; S340-Y342 VanDerWaalsContact C-N 3.34Å; S340-Y342 PolarHBondContact O-N 2.54Å; S340-E344 WeakPolarHBondContact O-CB 3.34Å; S340-E344 WeakPolarHBondContact O-CG 3.3Å; S340-E344 PolarHBondContact O-N 3.08Å
341L61.2Low62.3Low86 Ų86106.1 Ų106.145%0.4554%0.544SS..Hα-helixtrans-67.4-35178.5-100.6135.2000112.2I336 W338 S345I336-L341 HydrophobicContact CG2-CD1 3.45Å; I336-L341 VanDerWaalsContact CG2-CD1 3.45Å; W338-L341 PolarHBondContact O-N 3.28Å; L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.48Å; L341-S345 PolarHBondContact O-N 3.18Å; L341-S345 PolarHBondContact O-OG 2.88Å
342Y65.4Low64.5Low62 Ų62107.2 Ų107.224%0.24353%0.53CS..Hα-helixtrans-63-50.8176.1178.1-100.9000111.4F308 T312 W338 S340 S345 L346F308-Y342 HydrophobicContact CD1-CE2 4.18Å; F308-Y342 HydrophobicContact CE1-CD2 4.15Å; F308-Y342 AromaticContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CE1-CE2 3.44Å; F308-Y342 VanDerWaalsContact CE1-CE2 3.44Å; F308-Y342 HydrophobicContact CZ-CE2 4.35Å; T312-Y342 HydrophobicContact CG2-CD2 4.44Å; T312-Y342 HydrophobicContact CG2-CE2 4.49Å; W338-Y342 WeakPolarHBondContact O-CB 3.46Å; W338-Y342 PolarHBondContact O-N 3.27Å; S340-Y342 VanDerWaalsContact C-N 3.34Å; S340-Y342 PolarHBondContact O-N 2.54Å; Y342-S345 PolarHBondContact O-N 3.5Å; Y342-S345 PolarHBondContact O-OG 3.27Å; Y342-L346 HydrophobicContact CD1-CD1 3.94Å; Y342-L346 HydrophobicContact CE1-CD1 3.38Å; Y342-L346 HydrophobicContact CE2-CD1 4.12Å; Y342-L346 HydrophobicContact CG-CD1 4.5Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.48Å; Y342-L346 WeakPolarHBondContact O-CB 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.47Å; Y342-L346 PolarHBondContact O-N 2.9Å
343I69.2Low65.9Low105 Ų105102.9 Ų102.954%0.53850%0.501SS..Hα-helixtrans-67.7-41179.8-63.3-179.5000110.9D339 L346 M347D339-I343 WeakPolarHBondContact O-CG1 3.11Å; D339-I343 PolarHBondContact O-N 2.8Å; I343-L346 PolarHBondContact O-N 3.5Å; I343-M347 HydrophobicContact CG2-CG 4.21Å; I343-M347 WeakPolarHBondContact O-CB 3.47Å; I343-M347 WeakPolarHBondContact O-CG 3.3Å; I343-M347 PolarHBondContact O-N 3.42Å
344E69.7Low67.1Low104 Ų10497.9 Ų97.949%0.48649%0.493SS..Hα-helixtrans-64.6-42.2177.3-80-169.5-179.200113S340 M347 R348S340-E344 WeakPolarHBondContact O-CB 3.34Å; S340-E344 WeakPolarHBondContact O-CG 3.3Å; S340-E344 PolarHBondContact O-N 3.08Å; E344-M347 PolarHBondContact O-N 3.26Å; E344-R348 WeakPolarHBondContact O-CB 3.34Å; E344-R348 VanDerWaalsContact O-CG 3.28Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.22Å
345S75.5Confident68.3Low45 Ų4596.4 Ų96.432%0.31549%0.488SS..Hα-helixtrans-66.9-38.4177.4580000111.8L341 Y342 R348 L349L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.48Å; L341-S345 PolarHBondContact O-N 3.18Å; L341-S345 PolarHBondContact O-OG 2.88Å; Y342-S345 PolarHBondContact O-N 3.5Å; Y342-S345 PolarHBondContact O-OG 3.27Å; S345-R348 PolarHBondContact O-N 2.91Å; S345-L349 VanDerWaalsContact O-CB 3.29Å; S345-L349 WeakPolarHBondContact O-CB 3.46Å; S345-L349 VanDerWaalsContact O-CG 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 2.91Å
346L71.9Confident69.9Low58 Ų5891.9 Ų91.930%0.30448%0.477SS..Hα-helixtrans-63.8-45173-80.6177.6000112.4F308 Y342 I343 R348 L349 A350F308-L346 HydrophobicContact CD1-CD2 4.19Å; F308-L346 HydrophobicContact CE1-CD1 4.32Å; F308-L346 HydrophobicContact CE1-CD2 3.41Å; F308-L346 VanDerWaalsContact CE1-CD2 3.41Å; F308-L346 HydrophobicContact CE1-CG 3.88Å; F308-L346 HydrophobicContact CE2-CD2 4.29Å; F308-L346 HydrophobicContact CZ-CD2 3.49Å; F308-L346 VanDerWaalsContact CZ-CD2 3.49Å; F308-L346 HydrophobicContact CZ-CG 3.94Å; Y342-L346 HydrophobicContact CD1-CD1 3.94Å; Y342-L346 HydrophobicContact CE1-CD1 3.38Å; Y342-L346 HydrophobicContact CE2-CD1 4.12Å; Y342-L346 HydrophobicContact CG-CD1 4.5Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.48Å; Y342-L346 WeakPolarHBondContact O-CB 3.32Å; Y342-L346 WeakPolarHBondContact O-CG 3.47Å; Y342-L346 PolarHBondContact O-N 2.9Å; I343-L346 PolarHBondContact O-N 3.5Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.31Å; L346-L349 PolarHBondContact O-N 3.12Å; L346-A350 VanDerWaalsContact O-CB 3.27Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.47Å
347M75.8Confident70.1Confident130 Ų13090.6 Ų90.664%0.6449%0.486SS*.Hα-helixtrans-61.2-43176.5-72.1-92.9-76.500110.9I343 E344 Q351I343-M347 HydrophobicContact CG2-CG 4.21Å; I343-M347 WeakPolarHBondContact O-CB 3.47Å; I343-M347 WeakPolarHBondContact O-CG 3.3Å; I343-M347 PolarHBondContact O-N 3.42Å; E344-M347 PolarHBondContact O-N 3.26Å; M347-Q351 VanDerWaalsContact O-CB 3.24Å; M347-Q351 WeakPolarHBondContact O-CB 3.35Å; M347-Q351 PolarHBondContact O-N 2.82Å
348R79.6Confident70.7Confident176 Ų17692.7 Ų92.766%0.66449%0.491SS*.Hα-helixtrans-68.3-38.8176.9-73.6176.6-179.3-104.92.4112.6E344 S345 L346 Q351 W352E344-R348 WeakPolarHBondContact O-CB 3.34Å; E344-R348 VanDerWaalsContact O-CG 3.28Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.22Å; S345-R348 PolarHBondContact O-N 2.91Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.31Å; R348-Q351 PolarHBondContact O-N 3.11Å; R348-W352 VanDerWaalsContact O-CB 3.28Å; R348-W352 WeakPolarHBondContact O-CB 3.45Å; R348-W352 PolarHBondContact O-N 3.47Å
349L79Confident70.4Confident89 Ų8996 Ų9647%0.46651%0.514SS..Hα-helixtrans-68.4-43175.8-79.4169.4000111.6F308 S345 L346 Q351 W352 A353F308-L349 HydrophobicContact CE2-CD1 3.82Å; F308-L349 HydrophobicContact CZ-CD1 4.4Å; S345-L349 VanDerWaalsContact O-CB 3.29Å; S345-L349 WeakPolarHBondContact O-CB 3.46Å; S345-L349 VanDerWaalsContact O-CG 3.28Å; S345-L349 WeakPolarHBondContact O-CG 3.3Å; S345-L349 PolarHBondContact O-N 2.91Å; L346-L349 PolarHBondContact O-N 3.12Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-W352 PolarHBondContact O-N 2.8Å; L349-A353 WeakPolarHBondContact O-CB 3.22Å; L349-A353 PolarHBondContact O-N 2.85Å
350A76.8Confident70.9Confident48 Ų4895.2 Ų95.240%0.39751%0.51SS..Hα-helixtrans-60.6-45.9173.800000110.6L346 W352 A353 S354L346-A350 VanDerWaalsContact O-CB 3.27Å; L346-A350 WeakPolarHBondContact O-CB 3.21Å; L346-A350 PolarHBondContact O-N 3.47Å; A350-W352 VanDerWaalsContact C-N 3.33Å; A350-W352 PolarHBondContact O-N 3.03Å; A350-A353 PolarHBondContact O-N 3.44Å; A350-S354 WeakPolarHBondContact O-CB 3.16Å; A350-S354 PolarHBondContact O-N 3.37Å; A350-S354 PolarHBondContact O-OG 3.46Å; A350-S354 VanDerWaalsContact O-OG 3.13Å
351Q76.5Confident71.5Confident144 Ų14496.5 Ų96.567%0.67351%0.511SS*.Hα-helixtrans-62-39.6175.6-171.5174.4-2.800112.3M347 R348 L349 S355M347-Q351 VanDerWaalsContact O-CB 3.24Å; M347-Q351 WeakPolarHBondContact O-CB 3.35Å; M347-Q351 PolarHBondContact O-N 2.82Å; R348-Q351 PolarHBondContact O-N 3.11Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-S355 WeakPolarHBondContact O-CB 3.48Å; Q351-S355 PolarHBondContact O-N 2.91Å
352W81.9Confident72Confident147 Ų14797.1 Ų97.156%0.55752%0.515SS*.Hα-helixtrans-67.3-44.1176.1-171.279.5000111.8R348 L349 A350 S355 M356 I358R348-W352 VanDerWaalsContact O-CB 3.28Å; R348-W352 WeakPolarHBondContact O-CB 3.45Å; R348-W352 PolarHBondContact O-N 3.47Å; L349-W352 PolarHBondContact O-N 2.8Å; A350-W352 VanDerWaalsContact C-N 3.33Å; A350-W352 PolarHBondContact O-N 3.03Å; W352-S355 WeakPolarHBondContact CA-OG 3.49Å; W352-S355 WeakPolarHBondContact O-CB 2.99Å; W352-S355 PolarHBondContact O-N 3.2Å; W352-S355 VanDerWaalsContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.04Å; W352-M356 HydrophobicContact CD2-CG 4.2Å; W352-M356 HydrophobicContact CE3-CG 4.43Å; W352-M356 HydrophobicContact CH2-CE 4.22Å; W352-M356 HydrophobicContact CH2-CG 4.32Å; W352-M356 HydrophobicContact CZ2-CE 3.84Å; W352-M356 HydrophobicContact CZ2-CG 4.08Å; W352-M356 HydrophobicContact CZ2-SD 4.49Å; W352-M356 HydrophobicContact CZ3-CG 4.49Å; W352-M356 WeakPolarHBondContact O-CG 3.38Å; W352-M356 PolarHBondContact O-N 3.14Å; W352-I358 HydrophobicContact CZ3-CD1 4.46Å
353A74.9Confident72.4Confident17 Ų1799.2 Ų99.214%0.1453%0.531CS..Hα-helixtrans-64.9-41.6177.300000112.3L349 A350 S355 M356 G357 I358 L359L349-A353 WeakPolarHBondContact O-CB 3.22Å; L349-A353 PolarHBondContact O-N 2.85Å; A350-A353 PolarHBondContact O-N 3.44Å; A353-S355 VanDerWaalsContact C-N 3.3Å; A353-S355 PolarHBondContact O-N 2.82Å; A353-M356 PolarHBondContact O-N 2.99Å; A353-G357 PolarHBondContact O-N 3.29Å; A353-I358 PolarHBondContact O-N 2.76Å; A353-L359 HydrophobicContact CB-CD1 3.64Å; A353-L359 HydrophobicContact CB-CG 4.23Å
354S72.7Confident72.6Confident80 Ų8098.8 Ų98.856%0.55953%0.53SS*.Hα-helixtrans-60-39.3169.6-63.10000111.9A350 M356 G357A350-S354 WeakPolarHBondContact O-CB 3.16Å; A350-S354 PolarHBondContact O-N 3.37Å; A350-S354 PolarHBondContact O-OG 3.46Å; A350-S354 VanDerWaalsContact O-OG 3.13Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 PolarHBondContact O-N 3.08Å; S354-G357 PolarHBondContact O-N 3.06Å
355S74.6Confident72.8Confident87 Ų8798.5 Ų98.561%0.60853%0.533SS*.Hα-helixtrans-68.8-25.7179.278.20000113.8Q351 W352 A353Q351-S355 WeakPolarHBondContact O-CB 3.48Å; Q351-S355 PolarHBondContact O-N 2.91Å; W352-S355 WeakPolarHBondContact CA-OG 3.49Å; W352-S355 WeakPolarHBondContact O-CB 2.99Å; W352-S355 PolarHBondContact O-N 3.2Å; W352-S355 VanDerWaalsContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.04Å; A353-S355 VanDerWaalsContact C-N 3.3Å; A353-S355 PolarHBondContact O-N 2.82Å
356M77.8Confident72.6Confident113 Ų113102.3 Ų102.356%0.55755%0.549SS*.THydrogen-bonded Turntrans-93.60.7178.8-64.1-66.5-97.300112.7W352 A353 S354 I358W352-M356 HydrophobicContact CD2-CG 4.2Å; W352-M356 HydrophobicContact CE3-CG 4.43Å; W352-M356 HydrophobicContact CH2-CE 4.22Å; W352-M356 HydrophobicContact CH2-CG 4.32Å; W352-M356 HydrophobicContact CZ2-CE 3.84Å; W352-M356 HydrophobicContact CZ2-CG 4.08Å; W352-M356 HydrophobicContact CZ2-SD 4.49Å; W352-M356 HydrophobicContact CZ3-CG 4.49Å; W352-M356 WeakPolarHBondContact O-CG 3.38Å; W352-M356 PolarHBondContact O-N 3.14Å; A353-M356 PolarHBondContact O-N 2.99Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 PolarHBondContact O-N 3.08Å; M356-I358 VanDerWaalsContact C-N 3.26Å; M356-I358 HydrophobicContact CB-CD1 3.57Å; M356-I358 HydrophobicContact CB-CG1 3.75Å; M356-I358 HydrophobicContact CG-CD1 4.39Å; M356-I358 PolarHBondContact O-N 3.08Å
357G59.6Low72.7Confident66 Ų66105.7 Ų105.768%0.6857%0.568SS**THydrogen-bonded Turntrans66.126.5-177.100000113.8A353 S354A353-G357 PolarHBondContact O-N 3.29Å; S354-G357 PolarHBondContact O-N 3.06Å
358I66.9Low72.4Confident115 Ų115103.7 Ų103.759%0.5956%0.562SS**  trans-88.2-13.5-176.7-60.6172.2000111.5W352 A353 M356W352-I358 HydrophobicContact CZ3-CD1 4.46Å; A353-I358 PolarHBondContact O-N 2.76Å; M356-I358 VanDerWaalsContact C-N 3.26Å; M356-I358 HydrophobicContact CB-CD1 3.57Å; M356-I358 HydrophobicContact CB-CG1 3.75Å; M356-I358 HydrophobicContact CG-CD1 4.39Å; M356-I358 PolarHBondContact O-N 3.08Å
359L48.9Very low71.8Confident162 Ų16297.1 Ų97.185%0.84855%0.552SS**  trans-1230-179.2-83.8166.2000112.6A353A353-L359 HydrophobicContact CB-CD1 3.64Å; A353-L359 HydrophobicContact CB-CG 4.23Å

Retrieved 359 of 359 residues in 696.7 ms (Link to these results)