A0A096MTK2_PAPAN Loading...

Amphiregulin

AlphaFold DB (A0A2K5U4V6), UniProt , Accession A0A096MTK2, Species PAPAN (Papio anubis, Olive baboon), Gene AREG, Length 252 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43Very low52.6Low250 Ų250131 Ų131100%1.23274%0.738SS**  0117.10-63.9173.6-16800107.1
2R44.3Very low53.1Low257 Ų257125.8 Ų125.897%0.9771%0.711SS**PPolyproline II helixtrans-84.5127-177.4-88.3176.1171.4160-3.2109.1
3A42.8Very low53.5Low87 Ų87124.9 Ų124.972%0.71970%0.702SS**PPolyproline II helixtrans-65.2144.2176.700000111.1L5A3-L5 PolarHBondContact O-N 3.34Å
4P52.3Low54Low125 Ų125120.4 Ų120.481%0.81268%0.683SS**PPolyproline II helixtrans-69.6124.4174.9-10.225.7000109.9L6P4-L6 PolarHBondContact O-N 3.14Å
5L57Low54.4Low172 Ų172119.9 Ų119.990%0.90168%0.677SS**PPolyproline II helixtrans-65.4121.1171.1-73.7160.3000109A3A3-L5 PolarHBondContact O-N 3.34Å
6L57.9Low54.7Low163 Ų163120.2 Ų120.285%0.85368%0.675SS**PPolyproline II helixtrans-60.3133.9170.4-101.590000109.8P4P4-L6 PolarHBondContact O-N 3.14Å
7P54.3Low55.2Low67 Ų67119.7 Ų119.744%0.43567%0.669SS.*PPolyproline II helixtrans-72.4148.7177.629.6-33000110.8V11 V12P7-V11 HydrophobicContact CB-CB 4.3Å; P7-V11 HydrophobicContact CB-CG1 4.37Å; P7-V12 HydrophobicContact CG-CG2 4.19Å
8P54.8Low55.3Low87 Ų87119.6 Ų119.657%0.56567%0.666SS**PPolyproline II helixtrans-63.3140177.124.9-31.3000110.5P10 V11P8-P10 VanDerWaalsContact C-N 3.3Å; P8-P10 HydrophobicContact CB-CG 4.3Å; P8-P10 VanDerWaalsContact O-CD 3.31Å; P8-P10 WeakPolarHBondContact O-CD 3.49Å; P8-V11 HydrophobicContact CG-CG2 4Å; P8-V11 WeakPolarHBondContact O-CB 3.4Å; P8-V11 PolarHBondContact O-N 3.04Å
9A56.9Low55.1Low81 Ų81115.7 Ų115.767%0.66966%0.656SS**Hα-helixtrans-39.3-36.8-178.400000117.6V11 V12 L13A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.45Å; A9-V12 PolarHBondContact O-N 3.41Å; A9-L13 PolarHBondContact O-N 2.76Å
10P58.1Low54.9Low89 Ų89114.7 Ų114.758%0.57866%0.656SS**Hα-helixtrans-61.3-31.2174.721.7-35.4000113.9P8 L13 S14P8-P10 VanDerWaalsContact C-N 3.3Å; P8-P10 HydrophobicContact CB-CG 4.3Å; P8-P10 VanDerWaalsContact O-CD 3.31Å; P8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-L13 PolarHBondContact O-N 3Å; P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.06Å
11V57.1Low54.5Low63 Ų63111.9 Ų111.938%0.38265%0.653SS.*Hα-helixtrans-73.9-34.6-177.8-177.80000111.2P7 P8 A9 L13 S14 L15P7-V11 HydrophobicContact CB-CB 4.3Å; P7-V11 HydrophobicContact CB-CG1 4.37Å; P8-V11 HydrophobicContact CG-CG2 4Å; P8-V11 WeakPolarHBondContact O-CB 3.4Å; P8-V11 PolarHBondContact O-N 3.04Å; A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.45Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-S14 PolarHBondContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.19Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.44Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.47Å
12V59.2Low54.6Low69 Ų69108 Ų10842%0.41863%0.631SS.*Hα-helixtrans-66.1-40.3175.5-176.60000110.4P7 A9 L15 L16P7-V12 HydrophobicContact CG-CG2 4.19Å; A9-V12 PolarHBondContact O-N 3.41Å; V12-L15 PolarHBondContact O-N 3.04Å; V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.96Å
13L58.3Low54.7Low114 Ų114106.2 Ų106.260%0.59763%0.626SS**Hα-helixtrans-65.2-41.9175.8-151.681.5000111.5A9 P10 V11 L16 I17A9-L13 PolarHBondContact O-N 2.76Å; P10-L13 PolarHBondContact O-N 3Å; V11-L13 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.19Å; L13-I17 HydrophobicContact CG-CD1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.17Å
14S59.3Low54.7Low61 Ų61106.8 Ų106.843%0.42763%0.631SS.*Hα-helixtrans-65.4-37.5174.9-65.40000113.2P10 V11 L16 I17 L18P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.06Å; V11-S14 PolarHBondContact O-N 3.16Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-I17 PolarHBondContact O-N 3.02Å; S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.06Å; S14-L18 PolarHBondContact O-N 3.37Å
15L60.3Low54.3Low113 Ų113105.8 Ų105.859%0.59263%0.634SS**Hα-helixtrans-67.3-35.4175.6-74.7169.1000112.1V11 V12 G19V11-L15 HydrophobicContact CG1-CD1 4.19Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.44Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 3.04Å; L15-G19 WeakPolarHBondContact O-CA 3.31Å; L15-G19 PolarHBondContact O-N 3.29Å
16L59.9Low53.7Low125 Ų125101.1 Ų101.165%0.65463%0.627SS**Hα-helixtrans-68.6-34.3174.1-70.8169.8000112.2V12 L13 S14V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.96Å; L13-L16 PolarHBondContact O-N 3.19Å; S14-L16 VanDerWaalsContact C-N 3.34Å
17I62.1Low52.7Low112 Ų112102.6 Ų102.657%0.57463%0.632SS**Hα-helixtrans-78.1-39.1178-64.2164.6000111.7L13 S14 S20L13-I17 HydrophobicContact CG-CD1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.17Å; S14-I17 PolarHBondContact O-N 3.02Å; I17-S20 PolarHBondContact O-OG 3.37Å
18L58.2Low51.9Low118 Ų118107.1 Ų107.162%0.61865%0.652SS**Hα-helixtrans-79.5-25.9179.2-70.8164.3000112.7S14 S20 G21S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.06Å; S14-L18 PolarHBondContact O-N 3.37Å; L18-S20 PolarHBondContact O-N 3.05Å; L18-G21 PolarHBondContact O-N 3.08Å; L18-G21 VanDerWaalsContact O-N 3.16Å
19G51.2Low51.1Low46 Ų46112.9 Ų112.947%0.47466%0.663SS.*THydrogen-bonded Turntrans-66.8-19.8176.100000114.5L15L15-G19 WeakPolarHBondContact O-CA 3.31Å; L15-G19 PolarHBondContact O-N 3.29Å
20S51.8Low50.1Low94 Ų94117 Ų11766%0.65767%0.673SS**THydrogen-bonded Turntrans-83.2-6.417335.50000114.7I17 L18I17-S20 PolarHBondContact O-OG 3.37Å; L18-S20 PolarHBondContact O-N 3.05Å
21G45.7Very low49.1Very low57 Ų57119.1 Ų119.159%0.58868%0.68SS**SBendtrans-93.2-7.4-172.200000117L18L18-G21 PolarHBondContact O-N 3.08Å; L18-G21 VanDerWaalsContact O-N 3.16Å
22H44.2Very low48Very low167 Ų167122.6 Ų122.677%0.77370%0.702SS**SBendtrans-114.67.9-171.1-74.9-68.9000116.1A24H22-A24 PolarHBondContact O-N 3.17Å
23Y47.1Very low46.7Very low220 Ų220129.3 Ų129.386%0.86372%0.721SS**SBendtrans-99.654.2172.2-67.2-85000111.7
24A43Very low45.6Very low99 Ų99128.5 Ų128.582%0.81873%0.725SS**  trans-155.265.3169.600000110.6H22H22-A24 PolarHBondContact O-N 3.17Å
25A43.7Very low44.3Very low105 Ų105129.2 Ų129.287%0.86874%0.741SS**  trans-131.4104.6161.400000107.7
26G44.9Very low43.1Very low74 Ų74133.3 Ų133.376%0.76376%0.755SS**  trans143.670.5172.600000113.7
27M36.3Very low41.7Very low193 Ų193139 Ų13995%0.95177%0.768SS**  trans-155.6131.1136.9-130.7155.967.100111.1
28D36.8Very low40.4Very low163 Ų163142.3 Ų142.387%0.87278%0.78SS**  trans-62.6155.3-166-96.7-70.7000116
29R39.8Very low40Very low207 Ų207141.1 Ų141.178%0.78178%0.78SS**  trans-56.3130.2170.9-171.3167.577.3-167.19.3111.4
30N34.8Very low39Very low167 Ų167148.2 Ų148.289%0.89380%0.798SS**  trans-156.8116.6141.1-95.2-26.2000110.1
31D36.7Very low38.1Very low134 Ų134149.1 Ų149.172%0.71780%0.804SS**  trans-67.1150.1177.7-62.9-69000112.3
32T34.5Very low37.5Very low137 Ų137149.8 Ų149.884%0.8481%0.811SS**  trans-174.3109131.3-71.80000110.9
33Y31.5Very low37Very low210 Ų210147.7 Ų147.782%0.82481%0.805SS**  trans60.8110.6136.5-153.3-105.5000122.3
34S35Very low36.4Very low97 Ų97145.1 Ų145.168%0.67880%0.801SS**  46.7121.1125.6-159.70000120.7
35G31.9Very low35.9Very low75 Ų75146.6 Ų146.677%0.77381%0.805SS**  trans-179.677.9165.900000114.8
36K36.7Very low35.6Very low200 Ų200146.5 Ų146.587%0.8781%0.805SS**  trans-60.5132.2168.9-168.1-175.5-169.1-175.80111.1
37R30.7Very low35.2Very low245 Ų245151.3 Ų151.393%0.92581%0.813SS**  trans168.4110.7141.4-93.5170.4-158.9-159.56.7113.4
38E33.4Very low35Very low181 Ų181145.1 Ų145.185%0.84680%0.799SS**  trans-78.1176.5133.2-92.4-177.8132.600108.8
39P50.1Low34.8Very low93 Ų93146.6 Ų146.660%0.60480%0.798SS**  cis-131.3-171.90.629.7-6.5000112.4
40F29.9Very low34.4Very low194 Ų194146 Ų14685%0.85180%0.804SS**  trans159.6105.2140.1-83.2-63.6000107.8
41S33.1Very low34.3Very low114 Ų114143 Ų14380%0.79779%0.791SS**  64.4120.484.8-163.30000114
42G34.1Very low34Very low70 Ų70143.5 Ų143.572%0.72280%0.799SS**  trans163.869.8172.200000115.9
43D32.6Very low33.9Very low123 Ų123142.2 Ų142.266%0.65880%0.796SS**  trans45120133.7-54.5-8.2000123.9
44H35Very low33.9Very low166 Ų166142.9 Ų142.977%0.76980%0.797SS**  trans17.3127.1134.7-18.8-62.4000120.9
45S32.1Very low34.1Very low131 Ų131143.8 Ų143.892%0.91680%0.803SS**  trans-160.3125.5132.7-840000110.4
46A38.5Very low34.4Very low103 Ų103147.3 Ų147.385%0.85180%0.799SS**  trans-110.3124.7168.800000107.5
47D34.8Very low34.3Very low174 Ų174145.3 Ų145.393%0.9380%0.795SS**  trans-167.6140.4154.6-138.912.7000104.2
48G32.9Very low34.3Very low64 Ų64139.2 Ų139.266%0.6679%0.79SS**  cis153122.924.900000102.6
49F31.9Very low34.4Very low194 Ų194136.1 Ų136.185%0.85179%0.789SS**  trans-70135.8-172.8-150.9-96.2000110.1V51F49-V51 HydrophobicContact CD1-CG2 4.49Å; F49-V51 HydrophobicContact CE1-CG2 4.03Å
50E33Very low33.6Very low195 Ų195135 Ų13591%0.91179%0.794SS**  trans-164.4147.7140-116.1-177.9163.900114.4
51V32.2Very low33.9Very low103 Ų103131.7 Ų131.762%0.62480%0.795SS**  trans-93.6143.2-169.5172.30000109.7F49F49-V51 HydrophobicContact CD1-CG2 4.49Å; F49-V51 HydrophobicContact CE1-CG2 4.03Å
52T30.2Very low34.1Very low145 Ų145135.2 Ų135.289%0.8980%0.799SS**  trans-146.5121.5152.91.80000110.8
53S32Very low34.3Very low109 Ų109140.3 Ų140.376%0.76281%0.808SS**  trans-79.5151.1172.2-71.90000111.2
54R32.7Very low34.2Very low225 Ų225140.1 Ų140.185%0.84982%0.816SS**  152.3114126-174.7173.2-178.2164.30.6112.2
55S39.3Very low34.8Very low116 Ų116138.3 Ų138.381%0.81182%0.818SS**  179.8133123.6310000111.8
56E37.2Very low34.8Very low148 Ų148138.6 Ų138.669%0.69282%0.815SS**  trans-67.9173173.6-60.6162.4102.900110.2
57M35.4Very low34.5Very low159 Ų159137.9 Ų137.978%0.78380%0.803SS**  cis-174.2158.427.825.9-111.7140.900110.9
58S29.7Very low34.4Very low116 Ų116138.5 Ų138.581%0.81180%0.801SS**  trans80.9117.9144.4-153.20000121.7
59S35.9Very low34.5Very low117 Ų117143.7 Ų143.782%0.81881%0.81SS**  177.3134.7100.6-160.10000111
60G33.5Very low35Very low69 Ų69140.1 Ų140.171%0.71181%0.806SS**  trans-93.2168.6-178.900000114.6
61S36.6Very low34.9Very low125 Ų125135.2 Ų135.287%0.87479%0.793SS**  trans-172.7132.8139.953.10000110.3
62E35.8Very low34.8Very low188 Ų188135.4 Ų135.488%0.87980%0.799SS**  trans-100.7149.6168.6-67.1-174.5108.400109.5
63I38.4Very low35.1Very low177 Ų177132.7 Ų132.791%0.90879%0.786SS**  trans-160.5129.6148.121.1165.4000110.6
64S31.2Very low35.2Very low118 Ų118135 Ų13583%0.82579%0.785SS**PPolyproline II helixtrans-91.5157.2166.5-98.70000111.2
65P47.4Very low35.3Very low128 Ų128132 Ų13283%0.83179%0.785SS**PPolyproline II helixtrans-95.1143.3176.435.5-28.8000113
66V32.1Very low35.1Very low138 Ų138131.6 Ų131.684%0.83678%0.782SS**PPolyproline II helixtrans-92.7147172.9154.70000110.5
67S33.1Very low35.2Very low87 Ų87130.1 Ų130.161%0.60879%0.788SS**PPolyproline II helixtrans-59155.5173.647.30000115.5
68E31.4Very low35.4Very low188 Ų188125.7 Ų125.788%0.87978%0.783SS**  155.6141.9120.8-82.7174.6-178.800113.4
69M35.1Very low35.8Very low173 Ų173127 Ų12785%0.85279%0.786SS**  trans-94.3150172.1-165.477.7153.100108.9
70P42.4Very low35.8Very low118 Ų118127.4 Ų127.477%0.76678%0.779SS**  -143143113.615.28.2000112.1
71S30.8Very low36Very low92 Ų92134.1 Ų134.164%0.64378%0.784SS**  78.7132.973.8-178.70000115.4
72S30.4Very low36.2Very low108 Ų108135.7 Ų135.776%0.75578%0.783SS**  trans64150.115652.60000118.1
73S37.5Very low36.6Very low88 Ų88135.4 Ų135.462%0.61578%0.775SS**  cis-177.3150-1552.80000103.6
74E33.9Very low37Very low157 Ų157132.1 Ų132.173%0.73477%0.768SS**  168.8119101.7-72.6-66.9107.200105.3
75L33.7Very low37.9Very low161 Ų161133.8 Ų133.884%0.84376%0.763SS**  73.7115.695.6-147.286.9000116.5
76S35.1Very low38Very low109 Ų109136 Ų13676%0.76276%0.762SS**  165.5152.8116.3-162.20000115.4
77S39.2Very low38.7Very low117 Ų117139.6 Ų139.682%0.81876%0.762SS**  trans75.3123.8173.776.50000115.6
78G39.9Very low39.4Very low66 Ų66141.5 Ų141.568%0.6877%0.765SS**  cis117.2140.627.600000107.7
79V38.4Very low40.2Very low143 Ų143140.2 Ų140.287%0.86776%0.764SS**  trans92.399.6175.6-159.80000114.3
80D36Very low41.1Very low126 Ų126139.9 Ų139.967%0.67476%0.761SS**  84.7104.782.8-118.6-103.4000113.7
81Y38.4Very low41.4Very low209 Ų209139.6 Ų139.682%0.8276%0.759SS**  trans20.3124.7164.8-37.5-74.7000123
82D40.9Very low42Very low159 Ų159144.4 Ų144.485%0.8577%0.771SS**  -156.5144.5124.4-155.3-1.3000110.8
83Y42.3Very low42.6Very low182 Ų182146.5 Ų146.571%0.71477%0.773SS**  trans-79.7118.2-171.8-155.4-99.4000109.3E85Y83-E85 WeakPolarHBondContact CD1-OE1 3.43Å; Y83-E85 VanDerWaalsContact CE1-CD 3.47Å; Y83-E85 WeakPolarHBondContact CE1-OE1 3.35Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.24Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.46Å
84S48.2Very low43.1Very low108 Ų108148 Ų14876%0.75578%0.78SS**  trans-147.4105.5164.8-71.90000108.2E86S84-E86 PolarHBondContact O-N 3.4Å
85E49.6Very low43.6Very low152 Ų152143.6 Ų143.671%0.7178%0.777SS**  trans-63.4107.7170.725.4-99.2133.200110.8Y83Y83-E85 WeakPolarHBondContact CD1-OE1 3.43Å; Y83-E85 VanDerWaalsContact CE1-CD 3.47Å; Y83-E85 WeakPolarHBondContact CE1-OE1 3.35Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.24Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.46Å
86E50.5Low43.8Very low174 Ų174145.4 Ų145.481%0.81377%0.774SS**  trans-135.289.7164.6-149.6177.3-158.100109.4S84S84-E86 PolarHBondContact O-N 3.4Å
87Y44.8Very low44.8Very low215 Ų215147.9 Ų147.984%0.84378%0.777SS**  trans-138.6129.5163.5-98.4-101.9000103
88D48Very low45.2Very low127 Ų127146.8 Ų146.868%0.67977%0.765SS**  cis-149.2134.318.1-86-62.1000107.5E90D88-E90 PolarHBondContact O-N 2.96Å
89N49.2Very low45.4Very low160 Ų160148.6 Ų148.686%0.85676%0.759SS**  trans-92.982.4161.4-90.4-82000108.7
90E52.9Low46.1Very low167 Ų167149.2 Ų149.278%0.7876%0.757SS**  trans-79.9128.6165.9-171.4114.7126.800109.2D88 Q92D88-E90 PolarHBondContact O-N 2.96Å; E90-Q92 PolarHBondContact O-N 3.32Å
91P49.4Very low46.8Very low112 Ų112147 Ų14773%0.72775%0.752SS**  trans-66.7115.9176-1628.8000110.9I93P91-I93 PolarHBondContact O-N 3.21Å
92Q42.7Very low47.5Very low192 Ų192142.6 Ų142.690%0.89775%0.746SS**  trans-64.4106.8170.4-68.2-173.717.900110E90E90-Q92 PolarHBondContact O-N 3.32Å
93I44.8Very low48.3Very low153 Ų153146.4 Ų146.479%0.78575%0.749SS**PPolyproline II helixtrans-59.4130166-60.3175.4000107.6P91 G95P91-I93 PolarHBondContact O-N 3.21Å; I93-G95 PolarHBondContact O-N 2.9Å
94P47.9Very low48.5Very low120 Ų120143.5 Ų143.578%0.77975%0.75SS**PPolyproline II helixtrans-63.4131.1-178.2-7.518.5000110.1Y96P94-Y96 PolarHBondContact O-N 2.99Å
95G43.7Very low48.9Very low64 Ų64146.9 Ų146.966%0.6675%0.754SS**PPolyproline II helixtrans-46.9130-170.800000114.6I93 I97I93-G95 PolarHBondContact O-N 2.9Å; G95-I97 PolarHBondContact O-N 3.44Å
96Y38Very low48.9Very low199 Ų199147.8 Ų147.878%0.7876%0.758SS**PPolyproline II helixtrans-53126.2153.757.2-90.8000107.9P94 V98P94-Y96 PolarHBondContact O-N 2.99Å; Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 HydrophobicContact CD2-CB 3.78Å; Y96-V98 HydrophobicContact CD2-CG2 3.28Å; Y96-V98 HydrophobicContact CE2-CB 3.95Å; Y96-V98 HydrophobicContact CE2-CG2 3.61Å; Y96-V98 HydrophobicContact CG-CG2 4.37Å; Y96-V98 PolarHBondContact O-N 3.12Å; Y96-V98 VanDerWaalsContact O-N 3.14Å
97I54.9Low49Very low160 Ų160145.9 Ų145.982%0.82176%0.758SS**  trans-80.492.4162.7-58.6173.8000104.8G95 D99G95-I97 PolarHBondContact O-N 3.44Å; I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 3.33Å
98V48.6Very low49.9Very low95 Ų95141.5 Ų141.558%0.57675%0.753SS**  trans-74.898.6159.2160.20000104.8Y96 D100Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 HydrophobicContact CD2-CB 3.78Å; Y96-V98 HydrophobicContact CD2-CG2 3.28Å; Y96-V98 HydrophobicContact CE2-CB 3.95Å; Y96-V98 HydrophobicContact CE2-CG2 3.61Å; Y96-V98 HydrophobicContact CG-CG2 4.37Å; Y96-V98 PolarHBondContact O-N 3.12Å; Y96-V98 VanDerWaalsContact O-N 3.14Å; V98-D100 PolarHBondContact O-N 3.17Å; V98-D100 VanDerWaalsContact O-N 3.15Å
99D44Very low49.8Very low104 Ų104144 Ų14456%0.55676%0.758SS**  trans-70.1101.7164.9-171.674.1000107I97 S101I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 3.33Å; D99-S101 PolarHBondContact O-N 3.07Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.29Å; D99-S101 PolarHBondContact OD2-OG 3.21Å
100D53.5Low49.6Very low155 Ų155141.8 Ų141.883%0.82975%0.752SS**THydrogen-bonded Turntrans-72.921.6-176.9-134.5-11.6000112.6V98V98-D100 PolarHBondContact O-N 3.17Å; V98-D100 VanDerWaalsContact O-N 3.15Å
101S51.2Low49.5Very low81 Ų81138.4 Ų138.457%0.56675%0.745SS**THydrogen-bonded Turntrans-96.3-2.5-175.6-36.40000113.9D99 R103D99-S101 PolarHBondContact O-N 3.07Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.29Å; D99-S101 PolarHBondContact OD2-OG 3.21Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.35Å
102V52.5Low49.6Very low115 Ų115143 Ų14370%0.69775%0.754SS**  trans-77.881.4175.3-1720000109.4V104V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 HydrophobicContact CG1-CG2 4.04Å; V102-V104 PolarHBondContact O-N 3.09Å
103R57.5Low49.5Very low240 Ų240140.5 Ų140.591%0.90675%0.746SS**  trans-66.397.4161.9-68.1179.3117.4-160.42.5107.9S101 E105S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.35Å; R103-E105 PolarHBondContact O-N 3.48Å
104V46.6Very low49.6Very low121 Ų121142.1 Ų142.173%0.73375%0.748SS**  trans-70.897.9165.6-1670000106.8V102 Q106V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 HydrophobicContact CG1-CG2 4.04Å; V102-V104 PolarHBondContact O-N 3.09Å; V104-Q106 PolarHBondContact O-N 3.45Å
105E56Low49.1Very low178 Ų178142.1 Ų142.183%0.83275%0.745SS**  trans-62.4120.6165.1-167.2169.2164.300107.1R103 V107R103-E105 PolarHBondContact O-N 3.48Å; E105-V107 PolarHBondContact O-N 3.46Å
106Q50.7Low48.7Very low172 Ų172147.4 Ų147.480%0.80475%0.753SS**  trans-58.4124.6-178.5-60.9-17914.500108.5V104 V108V104-Q106 PolarHBondContact O-N 3.45Å; Q106-V108 VanDerWaalsContact C-N 3.32Å; Q106-V108 PolarHBondContact O-N 3.07Å
107V52.2Low49.1Very low133 Ų133143 Ų14381%0.80675%0.751SS**  trans-62.597.1172.61720000108E105 K109E105-V107 PolarHBondContact O-N 3.46Å; V107-K109 PolarHBondContact O-N 2.94Å; V107-K109 VanDerWaalsContact O-N 3.1Å
108V64.2Low48.2Very low123 Ų123144.4 Ų144.475%0.74575%0.754SS**  trans-66.3108.1164.5179.10000106.1Q106 P110Q106-V108 VanDerWaalsContact C-N 3.32Å; Q106-V108 PolarHBondContact O-N 3.07Å; V108-P110 WeakPolarHBondContact O-CD 3.28Å
109K46.1Very low47.8Very low179 Ų179146.8 Ų146.878%0.77876%0.764SS**PPolyproline II helixtrans-51.5122.9170-77.8175.5178.4174.30108V107V107-K109 PolarHBondContact O-N 2.94Å; V107-K109 VanDerWaalsContact O-N 3.1Å
110P45.2Very low47.4Very low114 Ų114148.6 Ų148.674%0.7478%0.779SS**PPolyproline II helixtrans-58.1127.5174.2-2130.8000108.9V108 K112V108-P110 WeakPolarHBondContact O-CD 3.28Å; P110-K112 PolarHBondContact O-N 3.25Å
111P50.2Low46.8Very low97 Ų97146.2 Ų146.263%0.6378%0.775SS**PPolyproline II helixtrans-64.9136.5175.526.4-31.9000109.3N113P111-N113 VanDerWaalsContact C-N 3.33Å; P111-N113 PolarHBondContact O-N 2.83Å
112K51.1Low46.1Very low209 Ų209150.4 Ų150.491%0.90979%0.791SS**  trans-69.890.7170.1-70.2-176.1178.4-179.90108.5P110P110-K112 PolarHBondContact O-N 3.25Å
113N40.8Very low45.7Very low138 Ų138153.7 Ų153.774%0.73880%0.795SS**  trans-95.8104.5172.6-69.7-2.5000109.7P111P111-N113 VanDerWaalsContact C-N 3.33Å; P111-N113 PolarHBondContact O-N 2.83Å
114K47.3Very low45.1Very low188 Ų188148.5 Ų148.582%0.81779%0.793SS**  trans-81.1140157.6-68.7-179.2177.1179.10107.8
115T37.3Very low44.9Very low119 Ų119152.2 Ų152.273%0.7380%0.799SS**  trans76.7129.4161.3-370000111.8
116E34.6Very low44.5Very low175 Ų175155.6 Ų155.682%0.81880%0.804SS**  -165.5148.450.4-147147.7-128.200109.1
117S46.8Very low44.2Very low106 Ų106157.2 Ų157.274%0.74181%0.809SS**  trans-72.2127.6177.256.90000111.1
118E35.9Very low43.9Very low190 Ų190161.1 Ų161.189%0.88882%0.815SS**  trans-125.2120.6163.8-154.5172-175.900110.5
119N40.6Very low42.9Very low146 Ų146165.3 Ų165.378%0.78182%0.823SS**  trans-84.1127-179.1-61.9-67.5000109
120T36.1Very low42.5Very low141 Ų141160.7 Ų160.787%0.86583%0.826SS**  trans-133.8125.8151.1470000110.5
121S39.9Very low42.2Very low106 Ų106158.9 Ų158.974%0.74183%0.828SS**  trans-78.6133.8-176.448.40000111.3
122D37.4Very low41.9Very low169 Ų169163.2 Ų163.290%0.90484%0.837SS**  trans-151.4121.2140.2-98.2-40.9000111.5
123K43.4Very low41.4Very low183 Ų183160.6 Ų160.680%0.79683%0.833SS**  trans-97156.5171.6-89.6179.4177.7168.40108.4
124P44.7Very low41.7Very low132 Ų132157.2 Ų157.286%0.85783%0.831SS**  -124.7147.2113.730.1-20.7000113.7
125K43.3Very low41.9Very low198 Ų198157.7 Ų157.786%0.86183%0.833SS**  trans-67.2133.3-178.1-64.2167.1178.81690110.6
126R47.3Very low42.4Very low249 Ų249160.4 Ų160.494%0.9484%0.843SS**  trans-140.1109.9149.1-154.2169.2172.2150.6-2.2110.2
127K44.6Very low43.4Very low207 Ų207163.1 Ų163.190%0.985%0.846SS**  trans-74.4132.3173.7-73.9-168.5174.6-177.80109.5
128K45.1Very low43.8Very low215 Ų215169.2 Ų169.294%0.93585%0.853SS**  trans-139.6133.7145-134.2177.2-177.8-1780108.5
129K44.1Very low44.6Very low211 Ų211167.1 Ų167.192%0.91785%0.847SS**  trans-105.2140.5-162-169.5-174.5-177-173.20109.5
130G36.4Very low45.3Very low82 Ų82172.3 Ų172.385%0.84586%0.856SS**  trans99.1129.4163.700000113.9
131G38.4Very low46.4Very low75 Ų75173.8 Ų173.877%0.77385%0.85SS**  cis-176.9165.51.100000111.4
132K44.9Very low47.4Very low189 Ų189177.9 Ų177.982%0.82286%0.855SS**  trans53111156.2-75.6180176.6176.20120.6
133N40.5Very low48.9Very low153 Ų153177.9 Ų177.982%0.81885%0.847SS**  72.1122.9122.9-62.83.2000120.1
134G47.8Very low50.4Low68 Ų68172.3 Ų172.370%0.70183%0.826SS**  110.5105.1121.900000115.4
135K51.3Low52.2Low198 Ų198167.6 Ų167.686%0.86180%0.795SS**  trans58.679.7148.1-57.7-179.1-179.1176.90116.3
136N47.9Very low54.2Low175 Ų175158.5 Ų158.594%0.93676%0.756SS**  trans-130.449146.6-87.7-21.4000110.6
137R55.8Low55.7Low232 Ų232152.2 Ų152.288%0.87574%0.741SS**  trans-89.793.9157-82.7-175.2170.2168.1-2.8106.7
138R55.2Low57.4Low235 Ų235145.1 Ų145.189%0.88772%0.721SS**  trans159.679.2156.4-86.5156-155.1-156.97.2108.2
139N51.9Low59.1Low146 Ų146142.3 Ų142.378%0.78171%0.712SS**  trans-175.254.2145.7-90.3-12.4000108.3K141N139-K141 PolarHBondContact O-N 2.9Å
140R55.7Low60.9Low254 Ų254135.3 Ų135.396%0.95868%0.681SS**  trans-69.176.8147.2-93.7-174.8175.4172.3-2.6105K142R140-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact O-N 3.13Å
141K59.3Low63Low173 Ų173137.9 Ų137.975%0.75267%0.671SS**  trans-47.6123.3155.5-82.7-178.1174.7-178.90104N139 K143N139-K141 PolarHBondContact O-N 2.9Å; K141-K143 PolarHBondContact O-N 3.18Å
142K61.1Low65.2Low191 Ų191140.4 Ų140.483%0.8367%0.667SS**  trans-41.6110.8172.4-84.9-178.6174.3-176.70105.7R140 N144R140-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact O-N 3.13Å; K142-N144 PolarHBondContact O-N 3.25Å
143K67.7Low67.3Low170 Ų170134.1 Ų134.174%0.73964%0.64SS**  trans-59.6118.9178.2-89.1-173.2174-171.30104K141 P145 A148K141-K143 PolarHBondContact O-N 3.18Å; K143-P145 VanDerWaalsContact O-N 3.17Å; K143-A148 HydrophobicContact CB-CB 4.48Å
144N74.4Confident69.7Low66 Ų66127.6 Ų127.635%0.35361%0.606SS.*  trans-50126.5173.6177.3-9.6000106.6K142 C146 N147K142-N144 PolarHBondContact O-N 3.25Å; N144-C146 PolarHBondContact O-N 2.84Å; N144-C146 WeakPolarHBondContact OD1-CB 3.43Å; N144-C146 PolarHBondContact OD1-N 2.83Å; N144-N147 PolarHBondContact O-N 2.89Å
145P83.6Confident71.9Confident33 Ų33128.6 Ų128.621%0.21459%0.594CS.*G310 helixtrans-56.1-23.4-178.621.6-34.2000112.9K143 N147 A148 E149 F150 Y161K143-P145 VanDerWaalsContact O-N 3.17Å; P145-N147 PolarHBondContact O-N 3.3Å; P145-A148 PolarHBondContact O-N 3.45Å; P145-E149 PolarHBondContact O-N 3.4Å; P145-F150 HydrophobicContact CB-CD2 4.19Å; P145-F150 HydrophobicContact CB-CE2 4.43Å; P145-F150 PolarHBondContact O-N 3.21Å; P145-Y161 HydrophobicContact CB-CD2 4.22Å; P145-Y161 HydrophobicContact CB-CE2 4.41Å; P145-Y161 HydrophobicContact CB-CG 4.43Å; P145-Y161 HydrophobicContact CG-CD1 3.44Å; P145-Y161 VanDerWaalsContact CG-CD1 3.44Å; P145-Y161 HydrophobicContact CG-CD2 3.36Å; P145-Y161 HydrophobicContact CG-CE1 3.81Å; P145-Y161 HydrophobicContact CG-CE2 3.74Å; P145-Y161 HydrophobicContact CG-CG 3.18Å
146C84.3Confident73.8Confident6 Ų6122.3 Ų122.34%0.04157%0.568CS.*G310 helixtrans-54.1-34.9167.3-78.60000114.4N144 F150 Q151 C159N144-C146 PolarHBondContact O-N 2.84Å; N144-C146 WeakPolarHBondContact OD1-CB 3.43Å; N144-C146 PolarHBondContact OD1-N 2.83Å; C146-F150 CarbonylContact O-C 3.35Å; C146-Q151 WeakPolarHBondContact O-CA 3.45Å; C146-Q151 PolarHBondContact O-N 3.45Å; C146-C159 VanDerWaalsContact CA-SG 3.56Å; C146-C159 HydrophobicContact CB-CB 3.72Å; C146-C159 WeakPolarHBondContact CB-SG 3.47Å; C146-C159 WeakPolarHBondContact SG-CB 3.4Å; C146-C159 PolarHBondContact SG-O 3.38Å; C146-C159 CovalentContact SG-SG 2.04Å; C146-C159 PolarHBondContact SG-SG 3.47Å
147N79.9Confident75.8Confident117 Ų117115 Ų11563%0.62653%0.534SS*.G310 helixtrans-97.31.5-177.8-64.2-32.6000113.1N144 P145N144-N147 PolarHBondContact O-N 2.89Å; P145-N147 PolarHBondContact O-N 3.3Å
148A80.7Confident77.5Confident58 Ų58109.6 Ų109.648%0.47952%0.518SS..THydrogen-bonded Turntrans-118.9-65.9-176.500000111.1K143 P145K143-A148 HydrophobicContact CB-CB 4.48Å; P145-A148 PolarHBondContact O-N 3.45Å
149E80.3Confident79.3Confident157 Ų157100.2 Ų100.273%0.73449%0.489SS*.THydrogen-bonded Turntrans-99.6-33.9-173.2-174.1169.3-169.800112P145P145-E149 PolarHBondContact O-N 3.4Å
150F81.6Confident81.1Confident64 Ų6498.2 Ų98.228%0.28147%0.473SS..SBendtrans-103.130.9-176.3-59.5-85.5000112.9P145 C146 N152 F153 V168P145-F150 HydrophobicContact CB-CD2 4.19Å; P145-F150 HydrophobicContact CB-CE2 4.43Å; P145-F150 PolarHBondContact O-N 3.21Å; C146-F150 CarbonylContact O-C 3.35Å; F150-N152 PolarHBondContact O-N 2.84Å; F150-F153 HydrophobicContact CB-CB 4.03Å; F150-F153 VanDerWaalsContact O-CB 3.32Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.45Å; F150-F153 VanDerWaalsContact O-N 3.08Å; F150-V168 HydrophobicContact CB-CG1 4.41Å; F150-V168 HydrophobicContact CB-CG2 3.96Å; F150-V168 HydrophobicContact CD1-CB 4.28Å; F150-V168 HydrophobicContact CD1-CG2 3.92Å; F150-V168 HydrophobicContact CD2-CG2 3.42Å; F150-V168 VanDerWaalsContact CD2-CG2 3.42Å; F150-V168 HydrophobicContact CE1-CG2 4.24Å; F150-V168 HydrophobicContact CE2-CG2 3.79Å; F150-V168 HydrophobicContact CG-CB 4.25Å; F150-V168 HydrophobicContact CG-CG2 3.49Å; F150-V168 VanDerWaalsContact CG-CG2 3.49Å; F150-V168 HydrophobicContact CZ-CG2 4.18Å
151Q80.4Confident82.6Confident135 Ų13589.6 Ų89.663%0.63144%0.441SS*.THydrogen-bonded Turntrans-62.2128.8177.1-166.1176.417.700109.3C146 F153C146-Q151 WeakPolarHBondContact O-CA 3.45Å; C146-Q151 PolarHBondContact O-N 3.45Å; Q151-F153 PolarHBondContact O-N 3.23Å
152N84.3Confident83.9Confident128 Ų12883.7 Ų83.768%0.68442%0.417SS*.THydrogen-bonded Turntrans64.217.8-176-43-48.6000114.8F150 R180F150-N152 PolarHBondContact O-N 2.84Å; N152-R180 PolarHBondContact O-NH2 3.43Å
153F89.3Confident84.9Confident58 Ų5881.6 Ų81.625%0.25441%0.41SS..SBendtrans-62.5-46.5171.6-179-101.8000110.8F150 Q151 V168 C170 R180F150-F153 HydrophobicContact CB-CB 4.03Å; F150-F153 VanDerWaalsContact O-CB 3.32Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.45Å; F150-F153 VanDerWaalsContact O-N 3.08Å; Q151-F153 PolarHBondContact O-N 3.23Å; F153-V168 HydrophobicContact CD1-CG1 3.73Å; F153-V168 HydrophobicContact CE1-CG1 4.2Å; F153-V168 HydrophobicContact CG-CG1 4.49Å; F153-C170 WeakPolarHBondContact CD1-SG 3.36Å; F153-R180 HydrophobicContact CD1-CG 4.45Å; F153-R180 HydrophobicContact CD2-CG 4.18Å; F153-R180 HydrophobicContact CE1-CG 4Å; F153-R180 HydrophobicContact CE2-CG 3.71Å; F153-R180 HydrophobicContact CZ-CG 3.61Å; F153-R180 WeakPolarHBondContact O-CB 3.4Å; F153-R180 PolarHBondContact O-NE 3.49Å; F153-R180 PolarHBondContact O-NH2 3.46Å
154C92.4Very high85.5Confident15 Ų1581.1 Ų81.110%0.10141%0.41CS..  trans-85.3121.7171.2-47.50000109.9C159 C170C154-C159 VanDerWaalsContact SG-CA 3.5Å; C154-C170 WeakPolarHBondContact CA-SG 3.41Å; C154-C170 HydrophobicContact CB-CB 3.76Å; C154-C170 WeakPolarHBondContact CB-SG 3.24Å; C154-C170 WeakPolarHBondContact SG-CA 3.49Å; C154-C170 WeakPolarHBondContact SG-CB 3.32Å; C154-C170 CovalentContact SG-SG 2.02Å; C154-C170 PolarHBondContact SG-SG 3.36Å
155I92Very high85.8Confident90 Ų9083.5 Ų83.546%0.46242%0.422SS..SBendtrans-82-57.9-178.8-53.1173.6000109.5R180I155-R180 PolarHBondContact N-O 2.85Å
156H92.1Very high85.7Confident66 Ų6689.5 Ų89.531%0.30645%0.448SS..SBendtrans-117.563.6179.4-60.3-66.8000111.7Q173 Y176 C181H156-Q173 PolarHBondContact O-N 2.87Å; H156-Y176 HydrophobicContact CB-CD1 3.67Å; H156-Y176 HydrophobicContact CB-CD2 3.8Å; H156-Y176 HydrophobicContact CB-CE1 3.99Å; H156-Y176 HydrophobicContact CB-CE2 4.1Å; H156-Y176 HydrophobicContact CB-CG 3.56Å; H156-Y176 AromaticContact CD2-CD1 3.4Å; H156-Y176 VanDerWaalsContact CD2-CD1 3.4Å; H156-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H156-Y176 AromaticContact CD2-CE1 3.15Å; H156-Y176 WeakPolarHBondContact CD2-CE1 3.39Å; H156-Y176 AromaticContact CD2-CZ 3.8Å; H156-Y176 AromaticContact CG-CD1 3.67Å; H156-Y176 AromaticContact CG-CE1 3.51Å; H156-Y176 AromaticContact CG-CZ 3.75Å; H156-Y176 AromaticContact NE2-CE1 3.66Å; H156-C181 HydrophobicContact CB-CB 4.32Å; H156-C181 WeakPolarHBondContact CB-O 3.25Å; H156-C181 PolarHBondContact CD2-O 3.27Å; H156-C181 PolarHBondContact N-O 3.48Å; H156-C181 WeakPolarHBondContact O-CB 3.25Å
157G90.8Very high85.6Confident22 Ų2291.2 Ų91.223%0.22746%0.462CS..EExtended strand (participates in β ladder)trans-177.7178.7-177.600000114.5K171G157-K171 CarbonylContact C-O 3.47Å; G157-K171 WeakPolarHBondContact CA-O 3.26Å
158E91.4Very high86.1Confident117 Ų11786.9 Ų86.955%0.54744%0.44SS..EExtended strand (participates in β ladder)trans-93.6129.8175.6-62.7175.3175.300110.4K171E158-K171 HydrophobicContact CB-CB 4.34Å; E158-K171 PolarHBondContact N-O 2.92Å; E158-K171 PolarHBondContact O-N 2.83Å
159C91.4Very high86.5Confident39 Ų3987.1 Ų87.126%0.26444%0.436SS..EExtended strand (participates in β ladder)trans-79.6128.4174.3-176.60000111.3C146 C154 V168C146-C159 VanDerWaalsContact CA-SG 3.56Å; C146-C159 HydrophobicContact CB-CB 3.72Å; C146-C159 WeakPolarHBondContact CB-SG 3.47Å; C146-C159 WeakPolarHBondContact SG-CB 3.4Å; C146-C159 PolarHBondContact SG-O 3.38Å; C146-C159 CovalentContact SG-SG 2.04Å; C146-C159 PolarHBondContact SG-SG 3.47Å; C154-C159 VanDerWaalsContact SG-CA 3.5Å; C159-V168 WeakPolarHBondContact SG-CG1 3.4Å
160K90.1Very high87.1Confident104 Ų10480.4 Ų80.445%0.45241%0.406SS..EExtended strand (participates in β ladder)trans-126129.4172.5-66.9-172177-174.60110.2V168 T169K160-V168 WeakPolarHBondContact O-CA 3.33Å; K160-T169 HydrophobicContact CB-CG2 3.83Å; K160-T169 PolarHBondContact N-O 3.44Å; K160-T169 PolarHBondContact O-N 3.48Å
161Y88.4Confident87.6Confident73 Ų7383.2 Ų83.229%0.28642%0.418SS..EExtended strand (participates in β ladder)trans-95.6131.8170.8-178.1-108.1000110.1P145 E163 E166 A167 V168P145-Y161 HydrophobicContact CB-CD2 4.22Å; P145-Y161 HydrophobicContact CB-CE2 4.41Å; P145-Y161 HydrophobicContact CB-CG 4.43Å; P145-Y161 HydrophobicContact CG-CD1 3.44Å; P145-Y161 VanDerWaalsContact CG-CD1 3.44Å; P145-Y161 HydrophobicContact CG-CD2 3.36Å; P145-Y161 HydrophobicContact CG-CE1 3.81Å; P145-Y161 HydrophobicContact CG-CE2 3.74Å; P145-Y161 HydrophobicContact CG-CG 3.18Å; Y161-E163 HydrophobicContact CD1-CG 3.95Å; Y161-E163 HydrophobicContact CE1-CB 4.36Å; Y161-E163 HydrophobicContact CE1-CG 3.95Å; Y161-E166 WeakPolarHBondContact OH-CA 3.23Å; Y161-A167 WeakPolarHBondContact CD2-O 3.26Å; Y161-V168 HydrophobicContact CD2-CG2 3.76Å
162I86.2Confident88.2Confident49 Ų4978.9 Ų78.925%0.25140%0.402SS..EExtended strand (participates in β ladder)trans-105.2103.9179.7-58.7178.6000108H164 L165 E166 A167 T169I162-H164 VanDerWaalsContact C-N 3.27Å; I162-H164 WeakPolarHBondContact CG2-CE1 3.29Å; I162-H164 WeakPolarHBondContact CG2-ND1 3.29Å; I162-H164 VanDerWaalsContact CG2-NE2 3.32Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.47Å; I162-H164 PolarHBondContact O-N 2.92Å; I162-L165 HydrophobicContact CD1-CD1 4.46Å; I162-L165 HydrophobicContact CG2-CB 4.17Å; I162-L165 HydrophobicContact CG2-CD1 4.05Å; I162-L165 HydrophobicContact CG2-CG 4.25Å; I162-L165 PolarHBondContact O-N 3.48Å; I162-E166 PolarHBondContact O-N 3.42Å; I162-E166 VanDerWaalsContact O-N 3.1Å; I162-A167 PolarHBondContact N-O 2.93Å; I162-A167 PolarHBondContact O-N 3.31Å; I162-T169 HydrophobicContact CD1-CG2 3.79Å; I162-T169 HydrophobicContact CG1-CG2 4.11Å
163E82.8Confident88.5Confident147 Ų14778.5 Ų78.569%0.68740%0.396SS*.THydrogen-bonded Turntrans-60.8-32.9-172.9-63.6-170.6163.300113.5Y161Y161-E163 HydrophobicContact CD1-CG 3.95Å; Y161-E163 HydrophobicContact CE1-CB 4.36Å; Y161-E163 HydrophobicContact CE1-CG 3.95Å
164H78.3Confident88.2Confident160 Ų16083.4 Ų83.474%0.74142%0.42SS*.THydrogen-bonded Turntrans-79.2-16.2-176.958.9-91.6000114.4I162I162-H164 VanDerWaalsContact C-N 3.27Å; I162-H164 WeakPolarHBondContact CG2-CE1 3.29Å; I162-H164 WeakPolarHBondContact CG2-ND1 3.29Å; I162-H164 VanDerWaalsContact CG2-NE2 3.32Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.47Å; I162-H164 PolarHBondContact O-N 2.92Å
165L80.8Confident87.6Confident115 Ų11586 Ų8660%0.60243%0.431SS*.THydrogen-bonded Turntrans-110.1-2.8176.9-69.6167000112.1I162 A167I162-L165 HydrophobicContact CD1-CD1 4.46Å; I162-L165 HydrophobicContact CG2-CB 4.17Å; I162-L165 HydrophobicContact CG2-CD1 4.05Å; I162-L165 HydrophobicContact CG2-CG 4.25Å; I162-L165 PolarHBondContact O-N 3.48Å; L165-A167 HydrophobicContact CB-CB 4.1Å; L165-A167 PolarHBondContact O-N 2.87Å
166E82.3Confident87.4Confident159 Ų15984.4 Ų84.474%0.74342%0.419SS*.THydrogen-bonded Turntrans4832.2-171.3-60.2-173.6162.400113.4Y161 I162Y161-E166 WeakPolarHBondContact OH-CA 3.23Å; I162-E166 PolarHBondContact O-N 3.42Å; I162-E166 VanDerWaalsContact O-N 3.1Å
167A83Confident87.1Confident42 Ų4285.8 Ų85.835%0.34742%0.424SS..EExtended strand (participates in β ladder)trans-125.9152-170.700000112.2Y161 I162 L165Y161-A167 WeakPolarHBondContact CD2-O 3.26Å; I162-A167 PolarHBondContact N-O 2.93Å; I162-A167 PolarHBondContact O-N 3.31Å; L165-A167 HydrophobicContact CB-CB 4.1Å; L165-A167 PolarHBondContact O-N 2.87Å
168V89.6Confident86.9Confident26 Ų2686.2 Ų86.216%0.15843%0.429CS..EExtended strand (participates in β ladder)trans-99134.1174.4172.40000110.1F150 F153 C159 K160 Y161F150-V168 HydrophobicContact CB-CG1 4.41Å; F150-V168 HydrophobicContact CB-CG2 3.96Å; F150-V168 HydrophobicContact CD1-CB 4.28Å; F150-V168 HydrophobicContact CD1-CG2 3.92Å; F150-V168 HydrophobicContact CD2-CG2 3.42Å; F150-V168 VanDerWaalsContact CD2-CG2 3.42Å; F150-V168 HydrophobicContact CE1-CG2 4.24Å; F150-V168 HydrophobicContact CE2-CG2 3.79Å; F150-V168 HydrophobicContact CG-CB 4.25Å; F150-V168 HydrophobicContact CG-CG2 3.49Å; F150-V168 VanDerWaalsContact CG-CG2 3.49Å; F150-V168 HydrophobicContact CZ-CG2 4.18Å; F153-V168 HydrophobicContact CD1-CG1 3.73Å; F153-V168 HydrophobicContact CE1-CG1 4.2Å; F153-V168 HydrophobicContact CG-CG1 4.49Å; C159-V168 WeakPolarHBondContact SG-CG1 3.4Å; K160-V168 WeakPolarHBondContact O-CA 3.33Å; Y161-V168 HydrophobicContact CD2-CG2 3.76Å
169T90Very high86.7Confident64 Ų6488.8 Ų88.839%0.39344%0.441SS..EExtended strand (participates in β ladder)trans-120.7150.2171.6-1690000110.5K160 I162K160-T169 HydrophobicContact CB-CG2 3.83Å; K160-T169 PolarHBondContact N-O 3.44Å; K160-T169 PolarHBondContact O-N 3.48Å; I162-T169 HydrophobicContact CD1-CG2 3.79Å; I162-T169 HydrophobicContact CG1-CG2 4.11Å
170C92.8Very high86.7Confident16 Ų1692.1 Ų92.111%0.10845%0.448CS..EExtended strand (participates in β ladder)trans-108.8126.3176.5-64.40000110.3F153 C154 C172 E179 C181F153-C170 WeakPolarHBondContact CD1-SG 3.36Å; C154-C170 WeakPolarHBondContact CA-SG 3.41Å; C154-C170 HydrophobicContact CB-CB 3.76Å; C154-C170 WeakPolarHBondContact CB-SG 3.24Å; C154-C170 WeakPolarHBondContact SG-CA 3.49Å; C154-C170 WeakPolarHBondContact SG-CB 3.32Å; C154-C170 CovalentContact SG-SG 2.02Å; C154-C170 PolarHBondContact SG-SG 3.36Å; C170-C172 PolarHBondContact O-N 2.85Å; C170-E179 WeakPolarHBondContact CB-O 3.36Å; C170-E179 PolarHBondContact SG-O 3.36Å; C170-E179 VanDerWaalsContact SG-O 3.41Å; C170-C181 VanDerWaalsContact CB-SG 3.51Å
171K92.6Very high86.8Confident123 Ų12387.1 Ų87.154%0.53543%0.426SS..EExtended strand (participates in β ladder)trans-88.8102.7166.7-174.2-173.7175.9-167.70108.4G157 E158G157-K171 CarbonylContact C-O 3.47Å; G157-K171 WeakPolarHBondContact CA-O 3.26Å; E158-K171 HydrophobicContact CB-CB 4.34Å; E158-K171 PolarHBondContact N-O 2.92Å; E158-K171 PolarHBondContact O-N 2.83Å
172C92.8Very high86.8Confident44 Ų4485.8 Ų85.830%0.29744%0.435SS..EExtended strand (participates in β ladder)trans-69.1149.1-177.1-54.60000112.9C170 Y176 C181C170-C172 PolarHBondContact O-N 2.85Å; C172-Y176 WeakPolarHBondContact CB-O 3.49Å; C172-C181 WeakPolarHBondContact CA-SG 3.42Å; C172-C181 HydrophobicContact CB-CB 3.68Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 PolarHBondContact N-SG 2.91Å; C172-C181 VanDerWaalsContact SG-CA 3.53Å; C172-C181 WeakPolarHBondContact SG-CB 3.41Å; C172-C181 CovalentContact SG-SG 2.03Å; C172-C181 PolarHBondContact SG-SG 3.29Å
173Q89.8Confident86.8Confident119 Ų11988.6 Ų88.656%0.55645%0.447SS*.PPolyproline II helixtrans-72.2162.1169-70.5179.52.400110.7H156 E175 Y176H156-Q173 PolarHBondContact O-N 2.87Å; Q173-E175 PolarHBondContact O-N 3.18Å; Q173-Y176 HydrophobicContact CB-CD2 4.22Å; Q173-Y176 PolarHBondContact O-N 3.03Å
174Q83.7Confident86.9Confident162 Ų16287.8 Ų87.876%0.75744%0.441SS*.THydrogen-bonded Turntrans-53.5134.4178-154.772.621.400109.7Y176Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 3.31Å
175E78.9Confident86.7Confident70 Ų7083.1 Ų83.133%0.32743%0.426SS..THydrogen-bonded Turntrans746.6-179-48.3169.2-172.200115.3Q173 K184 S185 K187Q173-E175 PolarHBondContact O-N 3.18Å; E175-K184 CarbonylContact O-C 3.48Å; E175-K184 WeakPolarHBondContact O-CA 3.41Å; E175-K184 WeakPolarHBondContact O-CG 3.36Å; E175-S185 PolarHBondContact O-N 2.93Å; E175-K187 HydrophobicContact CG-CD 4.46Å; E175-K187 WeakPolarHBondContact OE1-CD 3.32Å; E175-K187 WeakPolarHBondContact OE1-CE 3.44Å; E175-K187 IonicContact OE1-NZ 2.71Å; E175-K187 PolarHBondContact OE1-NZ 3.04Å
176Y87.8Confident86.1Confident56 Ų5685.6 Ų85.622%0.2244%0.437CS..EExtended strand (participates in β ladder)trans-114.5144.1169.5-67.2-88.8000111.4H156 C172 Q173 Q174 E183 K184H156-Y176 HydrophobicContact CB-CD1 3.67Å; H156-Y176 HydrophobicContact CB-CD2 3.8Å; H156-Y176 HydrophobicContact CB-CE1 3.99Å; H156-Y176 HydrophobicContact CB-CE2 4.1Å; H156-Y176 HydrophobicContact CB-CG 3.56Å; H156-Y176 AromaticContact CD2-CD1 3.4Å; H156-Y176 VanDerWaalsContact CD2-CD1 3.4Å; H156-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H156-Y176 AromaticContact CD2-CE1 3.15Å; H156-Y176 WeakPolarHBondContact CD2-CE1 3.39Å; H156-Y176 AromaticContact CD2-CZ 3.8Å; H156-Y176 AromaticContact CG-CD1 3.67Å; H156-Y176 AromaticContact CG-CE1 3.51Å; H156-Y176 AromaticContact CG-CZ 3.75Å; H156-Y176 AromaticContact NE2-CE1 3.66Å; C172-Y176 WeakPolarHBondContact CB-O 3.49Å; Q173-Y176 HydrophobicContact CB-CD2 4.22Å; Q173-Y176 PolarHBondContact O-N 3.03Å; Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 3.31Å; Y176-E183 CarbonylContact C-O 3.46Å; Y176-E183 VanDerWaalsContact CA-O 3.24Å; Y176-E183 WeakPolarHBondContact CA-O 3.35Å; Y176-K184 HydrophobicContact CD1-CB 4.07Å; Y176-K184 HydrophobicContact CD1-CG 4.32Å; Y176-K184 HydrophobicContact CE1-CB 3.88Å; Y176-K184 HydrophobicContact CE1-CD 4.15Å; Y176-K184 HydrophobicContact CE1-CG 3.98Å
177F85.1Confident85Confident94 Ų9483.6 Ų83.641%0.41243%0.426SS..EExtended strand (participates in β ladder)trans-144.1174.5-17868.6-81.9000111.9C181 G182 E183 K184 S185F177-C181 CarbonylContact O-C 3.55Å; F177-C181 VanDerWaalsContact O-CA 3.3Å; F177-C181 WeakPolarHBondContact O-CA 3.37Å; F177-G182 PolarHBondContact O-N 3.16Å; F177-E183 HydrophobicContact CD1-CB 3.86Å; F177-E183 VanDerWaalsContact CD1-O 3.27Å; F177-E183 WeakPolarHBondContact CD1-O 3.37Å; F177-E183 HydrophobicContact CD2-CB 3.82Å; F177-E183 HydrophobicContact CE1-CB 3.61Å; F177-E183 HydrophobicContact CE2-CB 3.61Å; F177-E183 HydrophobicContact CE2-CG 4.25Å; F177-E183 WeakPolarHBondContact CE2-OE2 3.31Å; F177-E183 HydrophobicContact CG-CB 3.97Å; F177-E183 HydrophobicContact CZ-CB 3.5Å; F177-E183 VanDerWaalsContact CZ-CB 3.5Å; F177-E183 HydrophobicContact CZ-CG 4.41Å; F177-E183 WeakPolarHBondContact CZ-OE2 3.47Å; F177-E183 PolarHBondContact N-O 2.89Å; F177-E183 PolarHBondContact O-N 3.37Å; F177-E183 VanDerWaalsContact O-N 3.17Å; F177-K184 VanDerWaalsContact CE1-C 3.49Å; F177-S185 VanDerWaalsContact CE1-CA 3.46Å; F177-S185 VanDerWaalsContact CE1-N 3.27Å
178G87.4Confident83.8Confident31 Ų3188 Ų8832%0.3245%0.448SS..SBendtrans94165.9-175.200000113.3R180 C181G178-R180 PolarHBondContact O-N 2.87Å; G178-R180 VanDerWaalsContact O-N 3.11Å; G178-C181 PolarHBondContact O-N 2.93Å
179E87.9Confident82Confident172 Ų17291.9 Ų91.980%0.80447%0.465SS*.THydrogen-bonded Turntrans-59-28.7-174-62.5-178.5171.800113.3C170C170-E179 WeakPolarHBondContact CB-O 3.36Å; C170-E179 PolarHBondContact SG-O 3.36Å; C170-E179 VanDerWaalsContact SG-O 3.41Å
180R91.3Very high80.3Confident108 Ų10893.2 Ų93.241%0.40848%0.476SS..THydrogen-bonded Turntrans-1114.2178.9-63.4-172.167.2-142.3-3.8113.9N152 F153 I155 G178 G182N152-R180 PolarHBondContact O-NH2 3.43Å; F153-R180 HydrophobicContact CD1-CG 4.45Å; F153-R180 HydrophobicContact CD2-CG 4.18Å; F153-R180 HydrophobicContact CE1-CG 4Å; F153-R180 HydrophobicContact CE2-CG 3.71Å; F153-R180 HydrophobicContact CZ-CG 3.61Å; F153-R180 WeakPolarHBondContact O-CB 3.4Å; F153-R180 PolarHBondContact O-NE 3.49Å; F153-R180 PolarHBondContact O-NH2 3.46Å; I155-R180 PolarHBondContact N-O 2.85Å; G178-R180 PolarHBondContact O-N 2.87Å; G178-R180 VanDerWaalsContact O-N 3.11Å; R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 2.97Å
181C91.9Very high78.5Confident0 Ų098.8 Ų98.80%050%0.502CS..SBendtrans55.640.3-173.6-44.50000112.9H156 C170 C172 F177 G178H156-C181 HydrophobicContact CB-CB 4.32Å; H156-C181 WeakPolarHBondContact CB-O 3.25Å; H156-C181 PolarHBondContact CD2-O 3.27Å; H156-C181 PolarHBondContact N-O 3.48Å; H156-C181 WeakPolarHBondContact O-CB 3.25Å; C170-C181 VanDerWaalsContact CB-SG 3.51Å; C172-C181 WeakPolarHBondContact CA-SG 3.42Å; C172-C181 HydrophobicContact CB-CB 3.68Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 PolarHBondContact N-SG 2.91Å; C172-C181 VanDerWaalsContact SG-CA 3.53Å; C172-C181 WeakPolarHBondContact SG-CB 3.41Å; C172-C181 CovalentContact SG-SG 2.03Å; C172-C181 PolarHBondContact SG-SG 3.29Å; F177-C181 CarbonylContact O-C 3.55Å; F177-C181 VanDerWaalsContact O-CA 3.3Å; F177-C181 WeakPolarHBondContact O-CA 3.37Å; G178-C181 PolarHBondContact O-N 2.93Å
182G88.1Confident76.7Confident45 Ų4598 Ų9846%0.46450%0.503SS..  trans-93.3-18.4179.400000113.5F177 R180F177-G182 PolarHBondContact O-N 3.16Å; R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 2.97Å
183E85.8Confident75.2Confident108 Ų108101.4 Ų101.451%0.50552%0.518SS..EExtended strand (participates in β ladder)trans-94.2128.6-177.1-61.6168.2-12200108.7Y176 F177Y176-E183 CarbonylContact C-O 3.46Å; Y176-E183 VanDerWaalsContact CA-O 3.24Å; Y176-E183 WeakPolarHBondContact CA-O 3.35Å; F177-E183 HydrophobicContact CD1-CB 3.86Å; F177-E183 VanDerWaalsContact CD1-O 3.27Å; F177-E183 WeakPolarHBondContact CD1-O 3.37Å; F177-E183 HydrophobicContact CD2-CB 3.82Å; F177-E183 HydrophobicContact CE1-CB 3.61Å; F177-E183 HydrophobicContact CE2-CB 3.61Å; F177-E183 HydrophobicContact CE2-CG 4.25Å; F177-E183 WeakPolarHBondContact CE2-OE2 3.31Å; F177-E183 HydrophobicContact CG-CB 3.97Å; F177-E183 HydrophobicContact CZ-CB 3.5Å; F177-E183 VanDerWaalsContact CZ-CB 3.5Å; F177-E183 HydrophobicContact CZ-CG 4.41Å; F177-E183 WeakPolarHBondContact CZ-OE2 3.47Å; F177-E183 PolarHBondContact N-O 2.89Å; F177-E183 PolarHBondContact O-N 3.37Å; F177-E183 VanDerWaalsContact O-N 3.17Å
184K84.8Confident74Confident130 Ų13099 Ų9957%0.56551%0.514SS*.EExtended strand (participates in β ladder)trans-97.9118.6177.2-170176.1-178.4176.70109.1E175 Y176 F177 M186E175-K184 CarbonylContact O-C 3.48Å; E175-K184 WeakPolarHBondContact O-CA 3.41Å; E175-K184 WeakPolarHBondContact O-CG 3.36Å; Y176-K184 HydrophobicContact CD1-CB 4.07Å; Y176-K184 HydrophobicContact CD1-CG 4.32Å; Y176-K184 HydrophobicContact CE1-CB 3.88Å; Y176-K184 HydrophobicContact CE1-CD 4.15Å; Y176-K184 HydrophobicContact CE1-CG 3.98Å; F177-K184 VanDerWaalsContact CE1-C 3.49Å; K184-M186 PolarHBondContact O-N 3.43Å
185S75.3Confident73.5Confident61 Ų6194.1 Ų94.143%0.42750%0.498SS..  trans-71.3114.6174.8-176.20000107.4E175 F177 K187E175-S185 PolarHBondContact O-N 2.93Å; F177-S185 VanDerWaalsContact CE1-CA 3.46Å; F177-S185 VanDerWaalsContact CE1-N 3.27Å; S185-K187 PolarHBondContact O-N 2.89Å
186M68.6Low73.3Confident168 Ų16895.2 Ų95.283%0.82851%0.506SS*.  trans-65.8107.5171.5-131.8178.77400106.7K184 T188K184-M186 PolarHBondContact O-N 3.43Å; M186-T188 VanDerWaalsContact C-N 3.34Å; M186-T188 PolarHBondContact O-N 2.89Å
187K58.6Low73Confident117 Ų11795.1 Ų95.151%0.50951%0.513SS..  trans-65.395.3178.9-157.1-176.9-148.6159.80107.9E175 S185 H189E175-K187 HydrophobicContact CG-CD 4.46Å; E175-K187 WeakPolarHBondContact OE1-CD 3.32Å; E175-K187 WeakPolarHBondContact OE1-CE 3.44Å; E175-K187 IonicContact OE1-NZ 2.71Å; E175-K187 PolarHBondContact OE1-NZ 3.04Å; S185-K187 PolarHBondContact O-N 2.89Å; K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.33Å
188T57.7Low73.2Confident134 Ų13497.5 Ų97.582%0.82252%0.524SS*.  trans-62.2100.1168-11.20000105.9M186 S190M186-T188 VanDerWaalsContact C-N 3.34Å; M186-T188 PolarHBondContact O-N 2.89Å; T188-S190 PolarHBondContact O-N 3.35Å
189H50.9Low73.2Confident108 Ų108101.3 Ų101.350%0.554%0.535SS..  trans-61.2105.8-168.9-123.5-120.7000109.6K187 M191 I192K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.33Å; H189-M191 VanDerWaalsContact CE1-SD 3.52Å; H189-M191 WeakPolarHBondContact ND1-CG 3.38Å; H189-M191 PolarHBondContact ND1-SD 3.07Å; H189-M191 VanDerWaalsContact ND1-SD 3.39Å; H189-M191 PolarHBondContact O-N 3.36Å; H189-I192 PolarHBondContact O-N 2.84Å
190S55.6Low73.3Confident91 Ų9195.5 Ų95.564%0.63652%0.517SS*.THydrogen-bonded Turntrans-62.410167.454.60000113.9T188 I192 D193T188-S190 PolarHBondContact O-N 3.35Å; S190-I192 PolarHBondContact O-N 3.31Å; S190-D193 PolarHBondContact O-N 3.47Å
191M53.5Low73.3Confident133 Ų13396 Ų9666%0.65553%0.527SS*.Hα-helixtrans-69.8-21.8168.8-80.4-165.5170.700112.9H189 D193 S195H189-M191 VanDerWaalsContact CE1-SD 3.52Å; H189-M191 WeakPolarHBondContact ND1-CG 3.38Å; H189-M191 PolarHBondContact ND1-SD 3.07Å; H189-M191 VanDerWaalsContact ND1-SD 3.39Å; H189-M191 PolarHBondContact O-N 3.36Å; M191-D193 VanDerWaalsContact C-N 3.33Å; M191-S195 PolarHBondContact O-OG 3.36Å
192I56.3Low73.5Confident107 Ų10798.9 Ų98.955%0.54955%0.551SS.*Hα-helixtrans-67.6-37.6173.8-64.5177.3000109.5H189 S190 S194 S195 L196H189-I192 PolarHBondContact O-N 2.84Å; S190-I192 PolarHBondContact O-N 3.31Å; I192-S194 PolarHBondContact O-N 3.22Å; I192-S195 PolarHBondContact O-OG 2.9Å; I192-L196 HydrophobicContact CG2-CD1 3.23Å; I192-L196 HydrophobicContact CG2-CG 3.66Å; I192-L196 WeakPolarHBondContact O-CB 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.43Å; I192-L196 PolarHBondContact O-N 2.85Å
193D60Low73.8Confident115 Ų11599.6 Ų99.662%0.61555%0.552SS**Hα-helixtrans-68.7-38.5-177.2-70.9-37.8000113.8S190 M191 S197S190-D193 PolarHBondContact O-N 3.47Å; M191-D193 VanDerWaalsContact C-N 3.33Å; D193-S197 WeakPolarHBondContact O-CB 3.22Å; D193-S197 PolarHBondContact O-N 3.28Å; D193-S197 PolarHBondContact O-OG 2.97Å
194S65.8Low74.3Confident68 Ų6899.4 Ų99.448%0.47655%0.554SS.*Hα-helixtrans-73.8-33.7-179.4-175.30000113.2I192 S197 K198I192-S194 PolarHBondContact O-N 3.22Å; S194-S197 WeakPolarHBondContact CA-OG 3.3Å; S194-S197 PolarHBondContact O-OG 3.44Å; S194-K198 WeakPolarHBondContact O-CG 3.48Å; S194-K198 PolarHBondContact O-N 3.33Å
195S72.4Confident74.9Confident60 Ų6096 Ų9642%0.4255%0.55SS.*Hα-helixtrans-80.4-42.9178540000111.5M191 I192 K198 I199M191-S195 PolarHBondContact O-OG 3.36Å; I192-S195 PolarHBondContact O-OG 2.9Å; S195-K198 PolarHBondContact O-N 2.89Å; S195-I199 WeakPolarHBondContact O-CG1 3.24Å; S195-I199 PolarHBondContact O-N 2.97Å; S195-I199 VanDerWaalsContact O-N 3.13Å
196L74.2Confident75.9Confident93 Ų9396.1 Ų96.149%0.48755%0.554SS.*Hα-helixtrans-66.9-36.1174.1-67.4-170.5000112.3I192 K198 I199 A200I192-L196 HydrophobicContact CG2-CD1 3.23Å; I192-L196 HydrophobicContact CG2-CG 3.66Å; I192-L196 WeakPolarHBondContact O-CB 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.43Å; I192-L196 PolarHBondContact O-N 2.85Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.98Å; L196-I199 HydrophobicContact CD2-CD1 4.38Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.31Å; L196-A200 PolarHBondContact O-N 3.42Å
197S83Confident77.3Confident54 Ų5495 Ų9538%0.37855%0.545SS..Hα-helixtrans-63-39.1174.454.70000112.1D193 S194 A200 L201D193-S197 WeakPolarHBondContact O-CB 3.22Å; D193-S197 PolarHBondContact O-N 3.28Å; D193-S197 PolarHBondContact O-OG 2.97Å; S194-S197 WeakPolarHBondContact CA-OG 3.3Å; S194-S197 PolarHBondContact O-OG 3.44Å; S197-A200 PolarHBondContact O-N 3.5Å; S197-L201 WeakPolarHBondContact O-CB 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 2.93Å
198K88Confident79.1Confident145 Ų14594 Ų9463%0.6354%0.544SS*.Hα-helixtrans-63.3-42.6173.7-73.8176.1-176.4178.70112.3S194 S195 L196 L201 A202S194-K198 WeakPolarHBondContact O-CG 3.48Å; S194-K198 PolarHBondContact O-N 3.33Å; S195-K198 PolarHBondContact O-N 2.89Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.98Å; K198-L201 PolarHBondContact O-N 3Å; K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.04Å
199I88.6Confident81.1Confident110 Ų11090.7 Ų90.756%0.56453%0.526SS*.Hα-helixtrans-66.1-42.4177.1-65.8165.2000110.5S195 L196 A202 A203S195-I199 WeakPolarHBondContact O-CG1 3.24Å; S195-I199 PolarHBondContact O-N 2.97Å; S195-I199 VanDerWaalsContact O-N 3.13Å; L196-I199 HydrophobicContact CD2-CD1 4.38Å; L196-I199 PolarHBondContact O-N 3.42Å; I199-A202 PolarHBondContact O-N 3.45Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.33Å
200A89.6Confident83.3Confident50 Ų5087.9 Ų87.941%0.41352%0.521SS..Hα-helixtrans-62.2-45176.800000111.4L196 S197 A202 A203 I204L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.31Å; L196-A200 PolarHBondContact O-N 3.42Å; S197-A200 PolarHBondContact O-N 3.5Å; A200-A202 PolarHBondContact O-N 3.47Å; A200-A203 PolarHBondContact O-N 3.35Å; A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 3.32Å
201L91.3Very high85.3Confident118 Ų11886.6 Ų86.662%0.61851%0.51SS*.Hα-helixtrans-62.2-42.5175.5-72.6171.4000112S197 K198 A203 I204 A205S197-L201 WeakPolarHBondContact O-CB 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 2.93Å; K198-L201 PolarHBondContact O-N 3Å; L201-A203 VanDerWaalsContact C-N 3.35Å; L201-A203 PolarHBondContact O-N 3.44Å; L201-I204 PolarHBondContact O-N 3.37Å; L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 3.05Å
202A94.9Very high87.4Confident62 Ų6284.6 Ų84.651%0.51250%0.501SS..Hα-helixtrans-63.1-40.8175.900000112K198 I199 A200 A205 A206K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.04Å; I199-A202 PolarHBondContact O-N 3.45Å; A200-A202 PolarHBondContact O-N 3.47Å; A202-A205 PolarHBondContact O-N 3.43Å; A202-A206 WeakPolarHBondContact O-CB 3.43Å; A202-A206 PolarHBondContact O-N 3Å
203A95.4Very high89.3Confident59 Ų5984.7 Ų84.749%0.48850%0.501SS..Hα-helixtrans-64.6-43.8177.400000112.2I199 A200 L201 A206 F207I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.33Å; A200-A203 PolarHBondContact O-N 3.35Å; L201-A203 VanDerWaalsContact C-N 3.35Å; L201-A203 PolarHBondContact O-N 3.44Å; A203-A206 PolarHBondContact O-N 3.45Å; A203-F207 PolarHBondContact O-N 2.97Å
204I95.9Very high91.1Very high104 Ų10483.2 Ų83.253%0.53350%0.497SS..Hα-helixtrans-62.2-45.6176.6-66.7163.6000110.4A200 L201 A206 F207 M208A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 3.32Å; L201-I204 PolarHBondContact O-N 3.37Å; I204-A206 PolarHBondContact O-N 2.86Å; I204-F207 PolarHBondContact O-N 3.24Å; I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 2.89Å
205A96.8Very high92.6Very high60 Ų6082.2 Ų82.250%0.49649%0.493SS..Hα-helixtrans-61.6-42.2178.200000112.3L201 A202 M208 S209L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 3.05Å; A202-A205 PolarHBondContact O-N 3.43Å; A205-M208 PolarHBondContact O-N 3.49Å; A205-S209 WeakPolarHBondContact O-CB 3.38Å; A205-S209 PolarHBondContact O-N 2.98Å
206A97.1Very high93.8Very high62 Ų6283.6 Ų83.651%0.51250%0.495SS..Hα-helixtrans-62.9-43.1176.600000111.9A202 A203 I204 S209 A210A202-A206 WeakPolarHBondContact O-CB 3.43Å; A202-A206 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 3.45Å; I204-A206 PolarHBondContact O-N 2.86Å; A206-S209 PolarHBondContact O-N 3.14Å; A206-A210 PolarHBondContact O-N 3.29Å
207F97.3Very high94.9Very high144 Ų14481.5 Ų81.563%0.63249%0.491SS*.Hα-helixtrans-63.2-47177.5-173.7-99.2000111.8A203 I204 S209 A210 V211A203-F207 PolarHBondContact O-N 2.97Å; I204-F207 PolarHBondContact O-N 3.24Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.43Å; F207-A210 PolarHBondContact O-N 3.28Å; F207-V211 HydrophobicContact CD1-CG2 4.14Å; F207-V211 HydrophobicContact CE1-CG2 3.8Å; F207-V211 HydrophobicContact CZ-CG2 4.07Å; F207-V211 WeakPolarHBondContact O-CG2 3.13Å; F207-V211 PolarHBondContact O-N 3.5Å
208M97.7Very high95.5Very high98 Ų9883.8 Ų83.848%0.48350%0.502SS..Hα-helixtrans-62.3-40.5177.9-69.6-56.8-64.300112.2I204 A205 A210 V211 I212I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 2.89Å; A205-M208 PolarHBondContact O-N 3.49Å; M208-A210 PolarHBondContact O-N 3.36Å; M208-V211 PolarHBondContact O-N 3.15Å; M208-I212 WeakPolarHBondContact O-CB 3.38Å; M208-I212 WeakPolarHBondContact O-CD1 3.05Å; M208-I212 WeakPolarHBondContact O-CG1 3.08Å; M208-I212 PolarHBondContact O-N 2.87Å
209S97.9Very high95.9Very high63 Ų6381.6 Ų81.644%0.44150%0.496SS..Hα-helixtrans-59.6-46.6174.6-178.30000111.7A205 A206 F207 V211 I212 L213A205-S209 WeakPolarHBondContact O-CB 3.38Å; A205-S209 PolarHBondContact O-N 2.98Å; A206-S209 PolarHBondContact O-N 3.14Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.43Å; S209-V211 PolarHBondContact O-N 3.39Å; S209-I212 PolarHBondContact O-N 2.87Å; S209-L213 WeakPolarHBondContact O-CB 3.4Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.18Å; S209-L213 PolarHBondContact O-N 3.19Å
210A97.1Very high96.3Very high50 Ų5079.2 Ų79.241%0.41349%0.487SS..Hα-helixtrans-61.8-42.5177.400000112.3A206 F207 M208 L213 T214A206-A210 PolarHBondContact O-N 3.29Å; F207-A210 PolarHBondContact O-N 3.28Å; M208-A210 PolarHBondContact O-N 3.36Å; A210-L213 PolarHBondContact O-N 3.46Å; A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 VanDerWaalsContact O-CG2 3.25Å; A210-T214 WeakPolarHBondContact O-CG2 3.48Å; A210-T214 PolarHBondContact O-N 3.31Å; A210-T214 PolarHBondContact O-OG1 3.13Å
211V97.8Very high96.6Very high64 Ų6481.2 Ų81.239%0.38849%0.493SS..Hα-helixtrans-63.2-42.3176.6173.60000111.4F207 M208 S209 T214 A215F207-V211 HydrophobicContact CD1-CG2 4.14Å; F207-V211 HydrophobicContact CE1-CG2 3.8Å; F207-V211 HydrophobicContact CZ-CG2 4.07Å; F207-V211 WeakPolarHBondContact O-CG2 3.13Å; F207-V211 PolarHBondContact O-N 3.5Å; M208-V211 PolarHBondContact O-N 3.15Å; S209-V211 PolarHBondContact O-N 3.39Å; V211-T214 WeakPolarHBondContact CA-OG1 2.89Å; V211-T214 PolarHBondContact O-OG1 2.93Å; V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 2.78Å
212I97.9Very high96.7Very high91 Ų9180.1 Ų80.147%0.46749%0.485SS..Hα-helixtrans-66.5-46.8178.5-68.3164.3000110.7M208 S209 T214 A215 I216M208-I212 WeakPolarHBondContact O-CB 3.38Å; M208-I212 WeakPolarHBondContact O-CD1 3.05Å; M208-I212 WeakPolarHBondContact O-CG1 3.08Å; M208-I212 PolarHBondContact O-N 2.87Å; S209-I212 PolarHBondContact O-N 2.87Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 2.96Å; I212-A215 PolarHBondContact O-N 2.78Å; I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.45Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.46Å
213L97.4Very high96.7Very high108 Ų10882.1 Ų82.157%0.56549%0.487SS*.Hα-helixtrans-62.5-40.6179.2-70.4174000111.9S209 A210 I216 A217S209-L213 WeakPolarHBondContact O-CB 3.4Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.18Å; S209-L213 PolarHBondContact O-N 3.19Å; A210-L213 PolarHBondContact O-N 3.46Å; L213-I216 PolarHBondContact O-N 2.64Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 3.25Å
214T96.6Very high96.7Very high84 Ų8488.3 Ų88.352%0.51550%0.497SS..Hα-helixtrans-66.3-41.7175.8510000111.9A210 V211 I212 I216 A217 V218A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 VanDerWaalsContact O-CG2 3.25Å; A210-T214 WeakPolarHBondContact O-CG2 3.48Å; A210-T214 PolarHBondContact O-N 3.31Å; A210-T214 PolarHBondContact O-OG1 3.13Å; V211-T214 WeakPolarHBondContact CA-OG1 2.89Å; V211-T214 PolarHBondContact O-OG1 2.93Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 2.96Å; T214-I216 PolarHBondContact O-N 3.38Å; T214-A217 PolarHBondContact O-N 3.48Å; T214-V218 WeakPolarHBondContact O-CG2 3.24Å; T214-V218 PolarHBondContact O-N 3.34Å
215A97.5Very high96.5Very high47 Ų4789 Ų8939%0.38850%0.496SS..Hα-helixtrans-60.4-45.9174.200000111.9V211 I212 A217 V218 I219V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 2.78Å; I212-A215 PolarHBondContact O-N 2.78Å; A215-A217 PolarHBondContact O-N 3.39Å; A215-V218 PolarHBondContact O-N 3Å; A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 VanDerWaalsContact O-CG1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 2.91Å
216I97.5Very high96.3Very high90 Ų9093.2 Ų93.246%0.46250%0.5SS..Hα-helixtrans-62-43.2176.3-66.2167000110.8I212 L213 T214 V218 I219 T220I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.45Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.46Å; L213-I216 PolarHBondContact O-N 2.64Å; T214-I216 PolarHBondContact O-N 3.38Å; I216-V218 PolarHBondContact O-N 3.24Å; I216-I219 PolarHBondContact O-N 3.39Å; I216-T220 HydrophobicContact CG2-CG2 4.17Å; I216-T220 WeakPolarHBondContact O-CB 3.3Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.4Å; I216-T220 PolarHBondContact O-N 2.97Å; I216-T220 PolarHBondContact O-OG1 2.94Å
217A96.9Very high96Very high49 Ų4998 Ų9841%0.40551%0.506SS..Hα-helixtrans-60.5-45176.700000111.7L213 T214 A215 T220 V221L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 3.25Å; T214-A217 PolarHBondContact O-N 3.48Å; A215-A217 PolarHBondContact O-N 3.39Å; A217-T220 WeakPolarHBondContact CA-OG1 3.4Å; A217-T220 PolarHBondContact O-N 2.88Å; A217-T220 PolarHBondContact O-OG1 3.41Å; A217-V221 WeakPolarHBondContact O-CB 3.01Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.21Å; A217-V221 PolarHBondContact O-N 3.49Å
218V96.8Very high95.7Very high101 Ų10194.5 Ų94.561%0.61250%0.496SS*.Hα-helixtrans-63.7-45.5177.1172.10000111.3T214 A215 I216 V221 H222T214-V218 WeakPolarHBondContact O-CG2 3.24Å; T214-V218 PolarHBondContact O-N 3.34Å; A215-V218 PolarHBondContact O-N 3Å; I216-V218 PolarHBondContact O-N 3.24Å; V218-V221 PolarHBondContact O-N 3.17Å; V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.22Å
219I96.9Very high95.3Very high100 Ų10097.8 Ų97.851%0.51350%0.503SS..Hα-helixtrans-61.6-47.9178.4-68164.5000110.3A215 I216 V221 H222 L223A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 VanDerWaalsContact O-CG1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 2.91Å; I216-I219 PolarHBondContact O-N 3.39Å; I219-V221 PolarHBondContact O-N 2.86Å; I219-H222 PolarHBondContact O-N 3.28Å; I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.34Å; I219-L223 VanDerWaalsContact O-CG 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.91Å
220T95.8Very high94.9Very high60 Ų60102.1 Ų102.137%0.36851%0.514SS..Hα-helixtrans-63.8-40.5-179.953.40000112.1I216 A217 L223 R224I216-T220 HydrophobicContact CG2-CG2 4.17Å; I216-T220 WeakPolarHBondContact O-CB 3.3Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.4Å; I216-T220 PolarHBondContact O-N 2.97Å; I216-T220 PolarHBondContact O-OG1 2.94Å; A217-T220 WeakPolarHBondContact CA-OG1 3.4Å; A217-T220 PolarHBondContact O-N 2.88Å; A217-T220 PolarHBondContact O-OG1 3.41Å; T220-L223 PolarHBondContact O-N 2.87Å; T220-R224 WeakPolarHBondContact O-CB 3.37Å; T220-R224 VanDerWaalsContact O-CG 3.26Å; T220-R224 WeakPolarHBondContact O-CG 3.03Å; T220-R224 PolarHBondContact O-N 3.39Å
221V95.6Very high94.2Very high91 Ų91106.7 Ų106.755%0.55252%0.521SS*.Hα-helixtrans-64.3-43.3173.8170.20000111.1A217 V218 I219 R224 K225A217-V221 WeakPolarHBondContact O-CB 3.01Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.21Å; A217-V221 PolarHBondContact O-N 3.49Å; V218-V221 PolarHBondContact O-N 3.17Å; I219-V221 PolarHBondContact O-N 2.86Å; V221-R224 PolarHBondContact O-N 2.82Å; V221-K225 VanDerWaalsContact O-CB 3.29Å; V221-K225 WeakPolarHBondContact O-CB 3.43Å; V221-K225 PolarHBondContact O-N 3.05Å
222H94.9Very high93.6Very high96 Ų96109.3 Ų109.344%0.44453%0.529SS..Hα-helixtrans-65-42178.8-161.651000111.8V218 I219 K225 R226V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.22Å; I219-H222 PolarHBondContact O-N 3.28Å; H222-K225 PolarHBondContact O-N 2.86Å; H222-R226 PolarHBondContact NE2-NH2 2.78Å; H222-R226 WeakPolarHBondContact O-CG 3.15Å; H222-R226 PolarHBondContact O-N 3.1Å
223L94.6Very high93Very high104 Ų104106.5 Ų106.555%0.54552%0.522SS..Hα-helixtrans-64.1-45.6175-71.3175.9000111.5I219 T220 K225 R226 Y227I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.34Å; I219-L223 VanDerWaalsContact O-CG 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.91Å; T220-L223 PolarHBondContact O-N 2.87Å; L223-K225 PolarHBondContact O-N 3Å; L223-R226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 3.42Å
224R94Very high92.4Very high188 Ų188106.4 Ų106.471%0.70952%0.519SS*.Hα-helixtrans-59.4-45.7174.3-76.5179.3-178.6-171.52111.3T220 V221 R226 Y227 V228T220-R224 WeakPolarHBondContact O-CB 3.37Å; T220-R224 VanDerWaalsContact O-CG 3.26Å; T220-R224 WeakPolarHBondContact O-CG 3.03Å; T220-R224 PolarHBondContact O-N 3.39Å; V221-R224 PolarHBondContact O-N 2.82Å; R224-R226 PolarHBondContact O-N 3.17Å; R224-Y227 PolarHBondContact O-N 3.03Å; R224-V228 WeakPolarHBondContact O-CB 3.32Å; R224-V228 VanDerWaalsContact O-CG2 3.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.47Å; R224-V228 PolarHBondContact O-N 2.71Å
225K92.5Very high91.6Very high118 Ų118104.1 Ų104.151%0.51351%0.509SS..Hα-helixtrans-62.6-41.2178.1-171175-177.9174.90112V221 H222 L223 R229V221-K225 VanDerWaalsContact O-CB 3.29Å; V221-K225 WeakPolarHBondContact O-CB 3.43Å; V221-K225 PolarHBondContact O-N 3.05Å; H222-K225 PolarHBondContact O-N 2.86Å; L223-K225 PolarHBondContact O-N 3Å; K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 WeakPolarHBondContact O-CG 3.41Å; K225-R229 PolarHBondContact O-N 2.73Å
226R92.8Very high91Very high150 Ų150107 Ų10757%0.56651%0.514SS*.Hα-helixtrans-65.2-42.3173.9-73.9-169.3-161.9-160.69.1111.9H222 L223 R224 R229 K230H222-R226 PolarHBondContact NE2-NH2 2.78Å; H222-R226 WeakPolarHBondContact O-CG 3.15Å; H222-R226 PolarHBondContact O-N 3.1Å; L223-R226 PolarHBondContact O-N 3.41Å; R224-R226 PolarHBondContact O-N 3.17Å; R226-R229 PolarHBondContact O-N 3.41Å; R226-K230 PolarHBondContact O-N 3.45Å; R226-K230 VanDerWaalsContact O-N 3.07Å
227Y91.1Very high90.5Very high162 Ų162109 Ų10964%0.63552%0.522SS*.Hα-helixtrans-64.7-47.7179.7-173.4-94000111.5L223 R224 R229 K230 Y231L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 3.42Å; R224-Y227 PolarHBondContact O-N 3.03Å; Y227-R229 PolarHBondContact O-N 3.48Å; Y227-K230 PolarHBondContact O-N 2.76Å; Y227-Y231 WeakPolarHBondContact O-CB 3.39Å; Y227-Y231 PolarHBondContact O-N 3.05Å
228V91Very high89.7Confident70 Ų70115 Ų11542%0.42453%0.534SS..Hα-helixtrans-59.7-45.6176.4172.20000110.9R224 K230 Y231 E232R224-V228 WeakPolarHBondContact O-CB 3.32Å; R224-V228 VanDerWaalsContact O-CG2 3.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.47Å; R224-V228 PolarHBondContact O-N 2.71Å; V228-K230 VanDerWaalsContact C-N 3.32Å; V228-K230 PolarHBondContact O-N 2.03Å; V228-Y231 PolarHBondContact O-N 2.91Å; V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CB 2.96Å; V228-E232 WeakPolarHBondContact O-CG 3.25Å; V228-E232 PolarHBondContact O-N 3.11Å
229R89.2Confident89.2Confident168 Ų168117.3 Ų117.363%0.63454%0.536SS*.Hα-helixtrans-59.6-39.7176.6-78.4-173.7179.9-160.9-1.4113.4K225 R226 Y227 G233K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 WeakPolarHBondContact O-CG 3.41Å; K225-R229 PolarHBondContact O-N 2.73Å; R226-R229 PolarHBondContact O-N 3.41Å; Y227-R229 PolarHBondContact O-N 3.48Å; R229-G233 PolarHBondContact O-N 3.48Å; R229-G233 VanDerWaalsContact O-N 3.09Å
230K88.1Confident88.6Confident154 Ų154118.3 Ų118.367%0.6754%0.536SS*.Hα-helixtrans-66.3-45.4175.3-76.5-170.3174.9-168.80111.3R226 Y227 V228 G233 E234R226-K230 PolarHBondContact O-N 3.45Å; R226-K230 VanDerWaalsContact O-N 3.07Å; Y227-K230 PolarHBondContact O-N 2.76Å; V228-K230 VanDerWaalsContact C-N 3.32Å; V228-K230 PolarHBondContact O-N 2.03Å; K230-G233 PolarHBondContact O-N 2.89Å; K230-E234 PolarHBondContact O-N 3.06Å
231Y84.1Confident88.1Confident146 Ų146120.7 Ų120.757%0.57355%0.546SS*.Hα-helixtrans-63.7-41.2179.7-171.1-94.3000112.4Y227 V228 E234 A235Y227-Y231 WeakPolarHBondContact O-CB 3.39Å; Y227-Y231 PolarHBondContact O-N 3.05Å; V228-Y231 PolarHBondContact O-N 2.91Å; Y231-E234 PolarHBondContact O-N 3.23Å; Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 2.99Å; Y231-A235 PolarHBondContact O-N 3.4Å
232E84.1Confident87.4Confident119 Ų119126.3 Ų126.356%0.55656%0.557SS**Hα-helixtrans-63.7-41174.1-74.3176.6172.100111.8V228 A235 E236V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CB 2.96Å; V228-E232 WeakPolarHBondContact O-CG 3.25Å; V228-E232 PolarHBondContact O-N 3.11Å; E232-A235 PolarHBondContact O-N 2.95Å; E232-E236 PolarHBondContact O-N 3.33Å
233G84.6Confident86.9Confident31 Ų31128 Ų12832%0.3257%0.566SS.*Hα-helixtrans-60.8-48.8174.100000112.6R229 K230 A235 E236 E237R229-G233 PolarHBondContact O-N 3.48Å; R229-G233 VanDerWaalsContact O-N 3.09Å; K230-G233 PolarHBondContact O-N 2.89Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.43Å; G233-E236 PolarHBondContact O-N 3.39Å; G233-E237 PolarHBondContact O-N 3.1Å
234E84.8Confident86.2Confident106 Ų106129.1 Ų129.150%0.49557%0.568SS.*Hα-helixtrans-62.5-37.4175.9-71.8-178.9-173.100112.1K230 Y231 R238K230-E234 PolarHBondContact O-N 3.06Å; Y231-E234 PolarHBondContact O-N 3.23Å; E234-R238 WeakPolarHBondContact O-CB 3.42Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.08Å; E234-R238 PolarHBondContact O-N 2.87Å
235A81.3Confident85.5Confident37 Ų37125.2 Ų125.231%0.30656%0.561SS.*Hα-helixtrans-67.6-36.4176.400000112.2Y231 E232 G233 K239Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 2.99Å; Y231-A235 PolarHBondContact O-N 3.4Å; E232-A235 PolarHBondContact O-N 2.95Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.43Å; A235-K239 VanDerWaalsContact O-CG 3.31Å; A235-K239 WeakPolarHBondContact O-CG 3.43Å; A235-K239 PolarHBondContact O-N 2.89Å; A235-K239 VanDerWaalsContact O-N 3.17Å
236E85.3Confident84.7Confident107 Ų107121.6 Ų121.650%0.556%0.557SS.*Hα-helixtrans-68.8-44.2174.6-163.4-168.2143.300111.6E232 G233 R238 K239 K240E232-E236 PolarHBondContact O-N 3.33Å; G233-E236 PolarHBondContact O-N 3.39Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.88Å; E236-K239 WeakPolarHBondContact O-CB 3.32Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 VanDerWaalsContact O-N 3.12Å; E236-K240 PolarHBondContact O-N 3.08Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.03Å; E236-K240 IonicContact OE1-NZ 2.76Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å
237E85.1Confident83.6Confident132 Ų132118.9 Ų118.962%0.61755%0.554SS**Hα-helixtrans-60.1-43.4175.5-73.2-171.1167.400111.7G233 K239 K240 L241G233-E237 PolarHBondContact O-N 3.1Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 2.86Å; E237-K240 PolarHBondContact O-N 3.3Å; E237-L241 PolarHBondContact O-N 3.06Å
238R81.5Confident82.7Confident176 Ų176115.6 Ų115.666%0.66455%0.551SS**Hα-helixtrans-62.4-32.6175.2-75.1-179.3-178.2-1592.6113E234 E236 R242E234-R238 WeakPolarHBondContact O-CB 3.42Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.08Å; E234-R238 PolarHBondContact O-N 2.87Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.88Å; R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.99Å
239K84.9Confident81.4Confident149 Ų149119.4 Ų119.465%0.64856%0.564SS**Hα-helixtrans-69.2-42.6174-73.5171.7-176.3179.50111.3A235 E236 E237 R242 Q243A235-K239 VanDerWaalsContact O-CG 3.31Å; A235-K239 WeakPolarHBondContact O-CG 3.43Å; A235-K239 PolarHBondContact O-N 2.89Å; A235-K239 VanDerWaalsContact O-N 3.17Å; E236-K239 WeakPolarHBondContact O-CB 3.32Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 VanDerWaalsContact O-N 3.12Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 2.86Å; K239-R242 PolarHBondContact O-N 2.96Å; K239-Q243 PolarHBondContact O-N 3.19Å
240K85.7Confident80Confident120 Ų120115.1 Ų115.152%0.52256%0.564SS.*Hα-helixtrans-60.3-47176.3-72.2177.3-176.6162.20111.8E236 E237 R242 Q243 E244E236-K240 PolarHBondContact O-N 3.08Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.03Å; E236-K240 IonicContact OE1-NZ 2.76Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å; E237-K240 PolarHBondContact O-N 3.3Å; K240-R242 VanDerWaalsContact C-N 3.33Å; K240-R242 PolarHBondContact O-N 2.02Å; K240-Q243 PolarHBondContact O-N 3.23Å; K240-E244 PolarHBondContact O-N 3.47Å
241L84.3Confident78.6Confident111 Ų111115 Ų11558%0.58157%0.569SS**Hα-helixtrans-60.7-38.8176.8-69.8173.8000112.9E237 N245E237-L241 PolarHBondContact O-N 3.06Å; L241-N245 WeakPolarHBondContact O-CB 2.97Å; L241-N245 PolarHBondContact O-N 3.07Å
242R80.9Confident77.1Confident208 Ų208115 Ų11579%0.78560%0.599SS**Hα-helixtrans-66.1-40.1175.9-78.8-178.6176.1-127.40.2112.5R238 K239 K240 G246R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.99Å; K239-R242 PolarHBondContact O-N 2.96Å; K240-R242 VanDerWaalsContact C-N 3.33Å; K240-R242 PolarHBondContact O-N 2.02Å; R242-G246 PolarHBondContact O-N 3.06Å; R242-G246 VanDerWaalsContact O-N 3.08Å
243Q84.7Confident76.7Confident132 Ų132114.8 Ų114.862%0.61760%0.601SS**Hα-helixtrans-67.4-43.4178.1-176177.4-8.700111.5K239 K240 G246 N247K239-Q243 PolarHBondContact O-N 3.19Å; K240-Q243 PolarHBondContact O-N 3.23Å; Q243-G246 PolarHBondContact O-N 3.34Å; Q243-N247 PolarHBondContact O-N 3.31Å
244E80.9Confident76.3Confident128 Ų128119.2 Ų119.260%0.59862%0.616SS**Hα-helixtrans-61-48.3176.3-172.817916700111.5K240 G246 N247 V248K240-E244 PolarHBondContact O-N 3.47Å; E244-G246 VanDerWaalsContact C-N 3.3Å; E244-G246 PolarHBondContact O-N 3.27Å; E244-N247 PolarHBondContact O-N 2.04Å; E244-N247 VanDerWaalsContact O-N 3.14Å; E244-V248 WeakPolarHBondContact O-CG2 3.1Å; E244-V248 PolarHBondContact O-N 3.44Å
245N77.7Confident75.8Confident105 Ų105119.9 Ų119.956%0.56162%0.623SS**Hα-helixtrans-65-32.4179.6-161.442.6000113L241 H249L241-N245 WeakPolarHBondContact O-CB 2.97Å; L241-N245 PolarHBondContact O-N 3.07Å; N245-H249 PolarHBondContact O-N 3Å
246G76.5Confident75.5Confident42 Ų42124.8 Ų124.843%0.43364%0.642SS.*Hα-helixtrans-68.3-36.8173.200000113.1R242 Q243 E244 A250R242-G246 PolarHBondContact O-N 3.06Å; R242-G246 VanDerWaalsContact O-N 3.08Å; Q243-G246 PolarHBondContact O-N 3.34Å; E244-G246 VanDerWaalsContact C-N 3.3Å; E244-G246 PolarHBondContact O-N 3.27Å; G246-A250 PolarHBondContact O-N 2.82Å
247N69.7Low74.9Confident94 Ų94125.9 Ų125.950%0.50365%0.65SS.*Hα-helixtrans-71.6-36177.1-77.50.3000112.6Q243 E244 H249 A250 I251Q243-N247 PolarHBondContact O-N 3.31Å; E244-N247 PolarHBondContact O-N 2.04Å; E244-N247 VanDerWaalsContact O-N 3.14Å; N247-H249 VanDerWaalsContact C-N 3.29Å; N247-H249 PolarHBondContact O-N 3.13Å; N247-A250 PolarHBondContact O-N 2.89Å; N247-A250 VanDerWaalsContact O-N 3.16Å; N247-I251 WeakPolarHBondContact O-CD1 3.49Å; N247-I251 WeakPolarHBondContact O-CG1 3.4Å
248V71.4Confident74.2Confident92 Ų92125.5 Ų125.556%0.55865%0.653SS**Hα-helixtrans-61.7-38.2175.8172.60000111.4E244 A250E244-V248 WeakPolarHBondContact O-CG2 3.1Å; E244-V248 PolarHBondContact O-N 3.44Å; V248-A250 VanDerWaalsContact C-N 3.29Å; V248-A250 PolarHBondContact O-N 2.81Å
249H63.8Low73.7Confident150 Ų150121.9 Ų121.969%0.69465%0.652SS**THydrogen-bonded Turntrans-73.1-15.6176.8-97.6-61.7000114.8N245 N247N245-H249 PolarHBondContact O-N 3Å; N247-H249 VanDerWaalsContact C-N 3.29Å; N247-H249 PolarHBondContact O-N 3.13Å
250A60.4Low72.8Confident79 Ų79119.8 Ų119.865%0.65365%0.652SS**THydrogen-bonded Turntrans-92.1-8.7179.700000113.8G246 N247 V248G246-A250 PolarHBondContact O-N 2.82Å; N247-A250 PolarHBondContact O-N 2.89Å; N247-A250 VanDerWaalsContact O-N 3.16Å; V248-A250 VanDerWaalsContact C-N 3.29Å; V248-A250 PolarHBondContact O-N 2.81Å
251I59.5Low71.7Confident151 Ų151119.8 Ų119.877%0.77466%0.663SS**  trans-107.5-6-174.3-61168.8000112.1N247N247-I251 WeakPolarHBondContact O-CD1 3.49Å; N247-I251 WeakPolarHBondContact O-CG1 3.4Å
252A51.2Low70.6Confident145 Ų145120.5 Ų120.5100%1.19867%0.67SS**  trans-97.30174.900000111.7

Retrieved 252 of 252 residues in 53.5 ms (Link to these results)