G4V8K8_SCHMA Loading...

Putative mitochondrial 28S ribosomal protein S14 (S14mt)

AlphaFold DB , UniProt , Accession G4V8K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M39.9Very low40.6Very low230 Ų230161.5 Ų161.5100%1.13382%0.815SS**  085.50-64.9-177172.400106.3
2N35.6Very low41.2Very low145 Ų145160.3 Ų160.378%0.77581%0.812SS**  77.3124.691.6-72.37.1000110.4
3L37.3Very low41.6Very low141 Ų141156 Ų15674%0.73881%0.806SS**  cis-166.1170.26.2-95.9154.8000104.9
4F44.4Very low42.4Very low198 Ų198149 Ų14987%0.86879%0.791SS**  trans98.379.7174.8-56.9-74000118.6
5K44.4Very low42.9Very low205 Ų205147.5 Ų147.589%0.89178%0.783SS**  -85.8148.2128.1-82.6179.7179.7178.70107.3
6P41.2Very low43.2Very low104 Ų104145.8 Ų145.868%0.67577%0.773SS**  -149.413897.831.2-9.7000114.7
7L37.3Very low43.4Very low155 Ų155143.7 Ų143.781%0.81276%0.762SS**  76.7101.3106.7-64.3166.3000115.2
8I34.6Very low43.8Very low155 Ų155139.2 Ų139.280%0.79574%0.743SS**  trans-65.6120160.5-64.5163.6000108K10I8-K10 HydrophobicContact CG2-CG 4.44Å
9I41.8Very low44.1Very low147 Ų147137.2 Ų137.275%0.75473%0.732SS**  trans-126.4109.8160.3-58.1174.7000105.9P11I9-P11 WeakPolarHBondContact O-CD 3.48Å
10K43.4Very low44.4Very low188 Ų188134.3 Ų134.382%0.81772%0.722SS**  trans-74.7123.4172.5-73179.2175.11770108.7I8I8-K10 HydrophobicContact CG2-CG 4.44Å
11P46.8Very low44.7Very low109 Ų109133.5 Ų133.571%0.70872%0.718SS**  trans-95.1129.7163.726.8-13000110I9 S13I9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-S13 PolarHBondContact O-N 3.44Å
12N48Very low45.2Very low146 Ų146130 Ų13078%0.78170%0.696SS**  trans-42114.3178.9-69.5-34.8000113.7G14N12-G14 PolarHBondContact O-N 3.45Å
13S46.3Very low45.8Very low105 Ų105129.7 Ų129.773%0.73469%0.692SS**THydrogen-bonded Turntrans-73.314-177.649.30000115.4P11P11-S13 PolarHBondContact O-N 3.44Å
14G53.3Low46.4Very low58 Ų58132.3 Ų132.360%0.59869%0.692SS**THydrogen-bonded Turntrans-93.5-35.8-174.900000115.5N12N12-G14 PolarHBondContact O-N 3.45Å
15L50Low46.6Very low126 Ų126129 Ų12966%0.6668%0.683SS**Hα-helixtrans-91-33.8-169.4-83.6159.7000113.7N17 S18 L19L15-N17 PolarHBondContact O-N 2.92Å; L15-S18 PolarHBondContact O-N 3.13Å; L15-S18 PolarHBondContact O-OG 3.03Å; L15-L19 PolarHBondContact O-N 3.49Å
16I47.2Very low46.9Very low121 Ų121126.2 Ų126.262%0.62168%0.677SS**Hα-helixtrans-70.6-33.8-175.8-63.7167.3000111.5C20I16-C20 WeakPolarHBondContact O-CB 3.07Å; I16-C20 PolarHBondContact O-N 2.87Å; I16-C20 VanDerWaalsContact O-N 3.13Å
17N47.2Very low47.8Very low110 Ų110126.1 Ų126.159%0.58868%0.679SS**Hα-helixtrans-74.5-26.8175.9-72.5-20.3000113L15 N21L15-N17 PolarHBondContact O-N 2.92Å; N17-N21 PolarHBondContact O-N 3.32Å
18S50.5Low48.9Very low62 Ų62124.4 Ų124.443%0.43467%0.669SS.*Hα-helixtrans-75.9-34.1176.285.40000112.7L15 K22L15-S18 PolarHBondContact O-N 3.13Å; L15-S18 PolarHBondContact O-OG 3.03Å; S18-K22 PolarHBondContact O-N 2.85Å
19L49.5Very low50.3Low102 Ų102122 Ų12253%0.53466%0.663SS.*Hα-helixtrans-76.8-35.8178-73.5166000111.8L15 N21 K22 M23L15-L19 PolarHBondContact O-N 3.49Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.84Å; L19-K22 PolarHBondContact O-N 2.81Å; L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.41Å
20C49Very low51.7Low78 Ų78120.7 Ų120.753%0.52767%0.665SS.*Hα-helixtrans-68.9-30.8178.3-147.60000112.8I16I16-C20 WeakPolarHBondContact O-CB 3.07Å; I16-C20 PolarHBondContact O-N 2.87Å; I16-C20 VanDerWaalsContact O-N 3.13Å
21N50.2Low52.7Low119 Ų119119.8 Ų119.864%0.63667%0.668SS**Hα-helixtrans-76.1-28.7171.6-81.6-16.9000113.3N17 L19N17-N21 PolarHBondContact O-N 3.32Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.84Å
22K51.5Low53.9Low155 Ų155119.6 Ų119.667%0.67466%0.66SS**Hα-helixtrans-75.3-29.7173.9-98.9176.9175.4179.10113.3S18 L19S18-K22 PolarHBondContact O-N 2.85Å; L19-K22 PolarHBondContact O-N 2.81Å
23M47.8Very low55.3Low140 Ų140115.9 Ų115.969%0.6964%0.643SS**Hα-helixtrans-81.1-20.8179.8-69.9-166.377.700114.5L19 L25L19-M23 WeakPolarHBondContact O-CG 3.3Å; L19-M23 PolarHBondContact O-N 3.41Å; M23-L25 PolarHBondContact O-N 2.84Å
24R49.1Very low56.4Low196 Ų196115.5 Ų115.574%0.7464%0.641SS**THydrogen-bonded Turntrans-74.3-10173.9-89.3-174-174.2179.63.4114.6
25L49.9Very low57.4Low127 Ų127121.4 Ų121.467%0.66565%0.653SS**THydrogen-bonded Turntrans-93.9-4.2179.8-67.4171.2000113.6M23M23-L25 PolarHBondContact O-N 2.84Å
26L51.4Low58.4Low147 Ų147121.3 Ų121.377%0.7765%0.652SS**SBendtrans-94.4-2.8-172.7-66.9172.6000114.7
27S59.5Low58.8Low102 Ų102120.5 Ų120.571%0.71365%0.648SS**SBendtrans-111.40.3-179.260.70000115
28I59.9Low59.8Low120 Ų120124.6 Ų124.662%0.61566%0.657SS**SBendtrans-102.5117.2177.1-54166.2000106.3
29P63.2Low60.4Low103 Ų103129.5 Ų129.567%0.66967%0.673SS**PPolyproline II helixtrans-55.8143.7173.224.9-33.1000109.1L31P29-L31 PolarHBondContact O-N 3.36Å
30P72Confident60.6Low121 Ų121133.9 Ų133.979%0.78668%0.682SS**PPolyproline II helixtrans-53.5135.7-17923.3-33.4000109.8I32P30-I32 PolarHBondContact O-N 3.34Å; P30-I32 VanDerWaalsContact O-N 3.13Å
31L65.4Low61.1Low169 Ų169137.7 Ų137.789%0.88569%0.692SS**PPolyproline II helixtrans-58.8120.4176.6-161.778.6000107.6P29 P33P29-L31 PolarHBondContact O-N 3.36Å; L31-P33 WeakPolarHBondContact O-CD 3.23Å; L31-P33 VanDerWaalsContact O-N 3.15Å
32I72Confident61.1Low104 Ų104138.4 Ų138.453%0.53370%0.695SS.*PPolyproline II helixtrans-55.6121.9178.1-61.4166.6000107.2P30 S34 I36 L37P30-I32 PolarHBondContact O-N 3.34Å; P30-I32 VanDerWaalsContact O-N 3.13Å; I32-S34 PolarHBondContact O-N 3.47Å; I32-I36 HydrophobicContact CG2-CB 4.06Å; I32-I36 HydrophobicContact CG2-CG2 4.24Å; I32-L37 HydrophobicContact CG2-CD2 4.12Å; I32-L37 HydrophobicContact CG2-CG 4.31Å
33P75.8Confident61.1Low68 Ų68136 Ų13644%0.44269%0.693SS.*PPolyproline II helixtrans-52.1134.2177.7-24.830.7000110.3L31 E35 I36L31-P33 WeakPolarHBondContact O-CD 3.23Å; L31-P33 VanDerWaalsContact O-N 3.15Å; P33-E35 PolarHBondContact O-N 3.03Å; P33-I36 HydrophobicContact CB-CD1 4.39Å; P33-I36 HydrophobicContact CB-CG1 4.27Å; P33-I36 HydrophobicContact CG-CD1 4.01Å; P33-I36 HydrophobicContact CG-CG1 4.43Å; P33-I36 PolarHBondContact O-N 2.82Å
34S70.5Confident60.8Low97 Ų97134.8 Ų134.868%0.67870%0.696SS**THydrogen-bonded Turntrans-57-21.4177.8440000112.9I32 I36 L37I32-S34 PolarHBondContact O-N 3.47Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-L37 PolarHBondContact O-N 3Å
35E73.9Confident60.4Low183 Ų183129.8 Ų129.886%0.85570%0.696SS**THydrogen-bonded Turntrans-69-25.6175.3-64.2166.5-170.400113.3P33P33-E35 PolarHBondContact O-N 3.03Å
36I71.7Confident60.1Low124 Ų124133.2 Ų133.264%0.63671%0.706SS**THydrogen-bonded Turntrans-86.5-23.8177-58.4-179000111I32 P33 S34 Y38I32-I36 HydrophobicContact CG2-CB 4.06Å; I32-I36 HydrophobicContact CG2-CG2 4.24Å; P33-I36 HydrophobicContact CB-CD1 4.39Å; P33-I36 HydrophobicContact CB-CG1 4.27Å; P33-I36 HydrophobicContact CG-CD1 4.01Å; P33-I36 HydrophobicContact CG-CG1 4.43Å; P33-I36 PolarHBondContact O-N 2.82Å; S34-I36 VanDerWaalsContact C-N 3.32Å; I36-Y38 PolarHBondContact O-N 3.26Å; I36-Y38 VanDerWaalsContact O-N 3.09Å
37L55.7Low59.4Low103 Ų103132.1 Ų132.154%0.53971%0.706SS.*SBendtrans-73.8103.2175.6-62.8177.5000109I32 S34 Q39I32-L37 HydrophobicContact CG2-CD2 4.12Å; I32-L37 HydrophobicContact CG2-CG 4.31Å; S34-L37 PolarHBondContact O-N 3Å; L37-Q39 PolarHBondContact O-N 2.88Å
38Y67.2Low58.7Low196 Ų196130.7 Ų130.777%0.76969%0.694SS**  trans-48.5116.1164.3164.5-102000108.7I36 R40I36-Y38 PolarHBondContact O-N 3.26Å; I36-Y38 VanDerWaalsContact O-N 3.09Å; Y38-R40 VanDerWaalsContact C-N 3.27Å; Y38-R40 HydrophobicContact CD1-CB 4.08Å; Y38-R40 HydrophobicContact CE1-CB 3.82Å; Y38-R40 HydrophobicContact CE1-CG 4.27Å; Y38-R40 PolarHBondContact O-N 3.35Å
39Q63.1Low58.1Low166 Ų166129.7 Ų129.778%0.77670%0.704SS**  trans-65.392.4173.6-75-179.1-17.400107.9L37 E41L37-Q39 PolarHBondContact O-N 2.88Å; Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.22Å
40R53.6Low57.5Low194 Ų194128 Ų12873%0.73269%0.687SS**  trans-68.399.8167.8-174.6176.8171.8122.2-0.1106.8Y38 I42Y38-R40 VanDerWaalsContact C-N 3.27Å; Y38-R40 HydrophobicContact CD1-CB 4.08Å; Y38-R40 HydrophobicContact CE1-CB 3.82Å; Y38-R40 HydrophobicContact CE1-CG 4.27Å; Y38-R40 PolarHBondContact O-N 3.35Å; R40-I42 VanDerWaalsContact C-N 3.28Å; R40-I42 HydrophobicContact CG-CG1 4.24Å; R40-I42 PolarHBondContact O-N 2.99Å
41E59.5Low56.4Low158 Ų158128.6 Ų128.674%0.73868%0.679SS**  trans-60.397164.6-68.9-168.6170.800107.8Q39 T43Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.22Å; E41-T43 PolarHBondContact O-N 2.85Å
42I49.7Very low55.6Low134 Ų134126.2 Ų126.269%0.68767%0.667SS**  trans-76.881.2166.1-54.8174000105.1R40 P44R40-I42 VanDerWaalsContact C-N 3.28Å; R40-I42 HydrophobicContact CG-CG1 4.24Å; R40-I42 PolarHBondContact O-N 2.99Å; I42-P44 WeakPolarHBondContact O-CD 3.11Å; I42-P44 VanDerWaalsContact O-N 3.11Å
43T51.7Low55Low105 Ų105124.7 Ų124.764%0.64466%0.66SS**  trans-62112.416154.30000105.8E41 A45E41-T43 PolarHBondContact O-N 2.85Å; T43-A45 PolarHBondContact O-N 3.32Å; T43-A45 VanDerWaalsContact O-N 3.11Å
44P41.6Very low54.5Low114 Ų114126 Ų12674%0.7467%0.668SS**PPolyproline II helixtrans-59125.8175.425.9-32.6000106.6I42 K46I42-P44 WeakPolarHBondContact O-CD 3.11Å; I42-P44 VanDerWaalsContact O-N 3.11Å; P44-K46 PolarHBondContact O-N 2.84Å
45A41.8Very low53.9Low91 Ų91127.1 Ų127.175%0.75266%0.663SS**PPolyproline II helixtrans-50.5123.2175.900000107.8T43 T47T43-A45 PolarHBondContact O-N 3.32Å; T43-A45 VanDerWaalsContact O-N 3.11Å; A45-T47 PolarHBondContact O-N 3.39Å
46K42.4Very low53.1Low198 Ų198119.4 Ų119.486%0.86163%0.627SS**PPolyproline II helixtrans-48.7116.3177.8-174175.7-176.9176.20106.5P44 P48P44-K46 PolarHBondContact O-N 2.84Å; K46-P48 VanDerWaalsContact O-CD 3.28Å; K46-P48 WeakPolarHBondContact O-CD 3.22Å
47T37.3Very low52.5Low125 Ų125118 Ų11877%0.76762%0.618SS**PPolyproline II helixtrans-53.8120.4174.140.40000105.8A45 A49A45-T47 PolarHBondContact O-N 3.39Å; T47-A49 PolarHBondContact O-N 3.48Å
48P45.7Very low52.9Low71 Ų71119.2 Ų119.246%0.46162%0.619SS.*PPolyproline II helixtrans-58.3150.2-179.3-1828.2000107.4K46 H50K46-P48 VanDerWaalsContact O-CD 3.28Å; K46-P48 WeakPolarHBondContact O-CD 3.22Å; P48-H50 VanDerWaalsContact CB-CE1 3.45Å; P48-H50 WeakPolarHBondContact CB-CE1 3.19Å; P48-H50 VanDerWaalsContact CB-NE2 3.26Å; P48-H50 WeakPolarHBondContact CB-NE2 3.49Å; P48-H50 VanDerWaalsContact CD-NE2 3.29Å; P48-H50 WeakPolarHBondContact CD-NE2 3.25Å; P48-H50 WeakPolarHBondContact CG-NE2 3.1Å; P48-H50 PolarHBondContact O-CD2 3.09Å; P48-H50 VanDerWaalsContact O-CD2 3.23Å; P48-H50 PolarHBondContact O-N 3.08Å
49A46.4Very low52.6Low100 Ų100113 Ų11383%0.82660%0.599SS**  trans-66.266.4176.400000109.7T47 H51T47-A49 PolarHBondContact O-N 3.48Å; A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.09Å
50H49.7Very low52.4Low67 Ų67106.9 Ų106.931%0.3157%0.571SS.*THydrogen-bonded Turntrans-80.498.3-179.4-66.5-61.2000105.3P48 S126P48-H50 VanDerWaalsContact CB-CE1 3.45Å; P48-H50 WeakPolarHBondContact CB-CE1 3.19Å; P48-H50 VanDerWaalsContact CB-NE2 3.26Å; P48-H50 WeakPolarHBondContact CB-NE2 3.49Å; P48-H50 VanDerWaalsContact CD-NE2 3.29Å; P48-H50 WeakPolarHBondContact CD-NE2 3.25Å; P48-H50 WeakPolarHBondContact CG-NE2 3.1Å; P48-H50 PolarHBondContact O-CD2 3.09Å; P48-H50 VanDerWaalsContact O-CD2 3.23Å; P48-H50 PolarHBondContact O-N 3.08Å; H50-S126 PolarHBondContact CE1-O 3.17Å; H50-S126 PolarHBondContact ND1-O 3.02Å
51H49Very low52.7Low134 Ų134104.1 Ų104.162%0.6256%0.564SS**THydrogen-bonded Turntrans-175.6-15.4141-69.7-31.5000111.2A49A49-H51 PolarHBondContact O-N 3.13Å; A49-H51 VanDerWaalsContact O-N 3.09Å
52N50.4Low52.8Low119 Ų119102 Ų10264%0.63656%0.558SS**  trans-12463.9-179.9-65.410.4000111.7P54 E57N52-P54 VanDerWaalsContact O-CD 3.23Å; N52-P54 WeakPolarHBondContact O-CD 3.32Å; N52-E57 PolarHBondContact OD1-OE1 2.8Å
53N58.4Low53.1Low72 Ų72100.3 Ų100.339%0.38555%0.547SS..  trans-79110157.2-175.4-11.1000105.8E55 I56 E57N53-E55 PolarHBondContact O-N 2.9Å; N53-E55 VanDerWaalsContact O-N 3.13Å; N53-E55 WeakPolarHBondContact OD1-CB 3.47Å; N53-E55 PolarHBondContact OD1-N 3.01Å; N53-I56 HydrophobicContact CB-CB 4.11Å; N53-I56 HydrophobicContact CB-CD1 3.74Å; N53-I56 HydrophobicContact CB-CG1 3.82Å; N53-I56 PolarHBondContact O-N 2.94Å; N53-E57 PolarHBondContact O-N 3.02Å
54P64.4Low53.1Low96 Ų9697.2 Ų97.262%0.62353%0.526SS*.Hα-helixtrans-56.7-30-179.624.1-34000111.4N52 K58N52-P54 VanDerWaalsContact O-CD 3.23Å; N52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-K58 WeakPolarHBondContact O-CB 3.28Å; P54-K58 PolarHBondContact O-N 3.36Å
55E58.6Low53.4Low119 Ų11997.8 Ų97.856%0.55653%0.532SS*.Hα-helixtrans-60.6-49.5172.8-159.785.8-138.800110.9N53 K58 L59N53-E55 PolarHBondContact O-N 2.9Å; N53-E55 VanDerWaalsContact O-N 3.13Å; N53-E55 WeakPolarHBondContact OD1-CB 3.47Å; N53-E55 PolarHBondContact OD1-N 3.01Å; E55-K58 WeakPolarHBondContact O-CB 3.29Å; E55-K58 PolarHBondContact O-N 2.82Å; E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.42Å; E55-L59 PolarHBondContact O-N 2.62Å
56I57.3Low53.6Low21 Ų2196.2 Ų96.211%0.10852%0.524CS..Hα-helixtrans-75.9-35.4-176.9-52.7167.4000111N53 K58 L59 L60 F97 S127 P129N53-I56 HydrophobicContact CB-CB 4.11Å; N53-I56 HydrophobicContact CB-CD1 3.74Å; N53-I56 HydrophobicContact CB-CG1 3.82Å; N53-I56 PolarHBondContact O-N 2.94Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.39Å; I56-L59 PolarHBondContact O-N 3.23Å; I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.08Å; I56-L60 VanDerWaalsContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CD1 3.44Å; I56-L60 WeakPolarHBondContact O-CG 3.13Å; I56-L60 PolarHBondContact O-N 2.83Å; I56-F97 HydrophobicContact CG2-CE2 4.4Å; I56-F97 HydrophobicContact CG2-CZ 3.92Å; I56-S127 WeakPolarHBondContact CD1-O 3.16Å; I56-P129 HydrophobicContact CB-CG 4.2Å; I56-P129 HydrophobicContact CD1-CG 4.02Å; I56-P129 HydrophobicContact CG2-CB 4.45Å; I56-P129 HydrophobicContact CG2-CG 3.13Å
57E59.3Low53.9Low96 Ų9691 Ų9145%0.44950%0.5SS..Hα-helixtrans-62.3-38.9170.8-69.8-170152.200111.7N52 N53 K61N52-E57 PolarHBondContact OD1-OE1 2.8Å; N53-E57 PolarHBondContact O-N 3.02Å; E57-K61 WeakPolarHBondContact O-CB 3.26Å; E57-K61 PolarHBondContact O-N 3.42Å
58K63.6Low54.2Low128 Ų12888.4 Ų88.456%0.55749%0.486SS*.Hα-helixtrans-65.4-46.9174.1-177.4-179.3179.5-173.60111.5P54 E55 I56 K61 N62P54-K58 WeakPolarHBondContact O-CB 3.28Å; P54-K58 PolarHBondContact O-N 3.36Å; E55-K58 WeakPolarHBondContact O-CB 3.29Å; E55-K58 PolarHBondContact O-N 2.82Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.39Å; K58-K61 PolarHBondContact O-N 3.1Å; K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.45Å; K58-N62 PolarHBondContact O-N 3.36Å; K58-N62 PolarHBondContact O-ND2 3.14Å; K58-N62 PolarHBondContact O-OD1 2.57Å
59L61.4Low54.1Low65 Ų6588.4 Ų88.434%0.3449%0.492SS..Hα-helixtrans-59.7-48.2174.9-71.3171.1000111E55 I56 K61 N62 E63E55-L59 WeakPolarHBondContact O-CB 3.3Å; E55-L59 VanDerWaalsContact O-CG 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.42Å; E55-L59 PolarHBondContact O-N 2.62Å; I56-L59 PolarHBondContact O-N 3.23Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.6Å; L59-N62 PolarHBondContact O-N 2.93Å; L59-E63 WeakPolarHBondContact O-CB 3.07Å; L59-E63 PolarHBondContact O-N 3.46Å
60L58.3Low53.7Low38 Ų3890.2 Ų90.220%0.19948%0.478CS..Hα-helixtrans-59.3-40.5175.3-72.7171.2000112.1I56 L64 V93 F97I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.08Å; I56-L60 VanDerWaalsContact O-CB 3.22Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CD1 3.44Å; I56-L60 WeakPolarHBondContact O-CG 3.13Å; I56-L60 PolarHBondContact O-N 2.83Å; L60-L64 HydrophobicContact CB-CD1 4.48Å; L60-L64 HydrophobicContact CD2-CD1 3.53Å; L60-L64 WeakPolarHBondContact O-CA 3.16Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-V93 HydrophobicContact CD2-CB 4.45Å; L60-V93 HydrophobicContact CD2-CG1 4.07Å; L60-V93 HydrophobicContact CD2-CG2 3.8Å; L60-F97 HydrophobicContact CD2-CE2 4.01Å
61K60.2Low53.2Low135 Ų13592.5 Ų92.559%0.58750%0.501SS*.Hα-helixtrans-70-38.2179.5-172.7177.2-179.7-176.40112.3E57 K58 L59 G66E57-K61 WeakPolarHBondContact O-CB 3.26Å; E57-K61 PolarHBondContact O-N 3.42Å; K58-K61 PolarHBondContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.6Å; K61-G66 PolarHBondContact O-N 3.38Å
62N61.1Low52.8Low113 Ų11389.2 Ų89.260%0.60450%0.497SS*.Hα-helixtrans-79.4-42.7-177.2-67.9-8.2000112.1K58 L59K58-N62 VanDerWaalsContact O-CB 3.3Å; K58-N62 WeakPolarHBondContact O-CB 3.45Å; K58-N62 PolarHBondContact O-N 3.36Å; K58-N62 PolarHBondContact O-ND2 3.14Å; K58-N62 PolarHBondContact O-OD1 2.57Å; L59-N62 PolarHBondContact O-N 2.93Å
63E56.7Low52.4Low99 Ų9989.4 Ų89.446%0.46349%0.489SS..Hα-helixtrans-88.3-21.8-176.2-64.7171.3145.300112.6L59 H96L59-E63 WeakPolarHBondContact O-CB 3.07Å; L59-E63 PolarHBondContact O-N 3.46Å; E63-H96 VanDerWaalsContact CD-NE2 3.32Å; E63-H96 IonicContact OE1-NE2 3.32Å; E63-H96 IonicContact OE2-CE1 2.94Å; E63-H96 PolarHBondContact OE2-CE1 3.35Å; E63-H96 IonicContact OE2-ND1 3.87Å; E63-H96 IonicContact OE2-NE2 2.94Å; E63-H96 PolarHBondContact OE2-NE2 3.05Å
64L51.6Low51.7Low40 Ų4095.3 Ų95.321%0.20951%0.511CS..THydrogen-bonded Turntrans-110.870.9175.2-52.2168000111.2L60 G66 Y67 Q92 V93L60-L64 HydrophobicContact CB-CD1 4.48Å; L60-L64 HydrophobicContact CD2-CD1 3.53Å; L60-L64 WeakPolarHBondContact O-CA 3.16Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.41Å; L64-G66 PolarHBondContact O-N 3.02Å; L64-Y67 PolarHBondContact O-N 3.3Å; L64-Q92 HydrophobicContact CD2-CB 4.31Å; L64-V93 HydrophobicContact CD1-CG2 4.07Å
65C48.8Very low51Low126 Ų12695.7 Ų95.785%0.85151%0.507SS*.THydrogen-bonded Turntrans30.961.7160.4-60.30000115.7Y67C65-Y67 PolarHBondContact O-N 2.92Å
66G45.3Very low50.6Low58 Ų5898 Ų9860%0.59851%0.511SS*.THydrogen-bonded Turntrans59.945.4166.700000114.9K61 L64 P68K61-G66 PolarHBondContact O-N 3.38Å; L64-G66 PolarHBondContact O-N 3.02Å; G66-P68 VanDerWaalsContact O-CD 3.3Å; G66-P68 WeakPolarHBondContact O-CD 3.39Å
67Y47.8Very low50.3Low88 Ų88109.4 Ų109.435%0.34555%0.552SS.*PPolyproline II helixtrans-65.2117.4-177.8-174.8-98.6000112.3L64 C65 K89L64-Y67 PolarHBondContact O-N 3.3Å; C65-Y67 PolarHBondContact O-N 2.92Å; Y67-K89 HydrophobicContact CE2-CD 3.58Å; Y67-K89 HydrophobicContact CE2-CG 4.04Å; Y67-K89 WeakPolarHBondContact OH-CD 3.14Å; Y67-K89 WeakPolarHBondContact OH-CE 3.38Å; Y67-K89 PolarHBondContact OH-NZ 3.34Å
68P45.1Very low50.8Low72 Ų72108.3 Ų108.347%0.46857%0.567SS.*PPolyproline II helixtrans-77.1153.3-174.730.4-34.7000112.6G66 A72G66-P68 VanDerWaalsContact O-CD 3.3Å; G66-P68 WeakPolarHBondContact O-CD 3.39Å; P68-A72 HydrophobicContact CB-CB 4.3Å
69A42.4Very low51.7Low71 Ų71104.3 Ų104.359%0.58755%0.549SS*.PPolyproline II helixtrans-53.3152.6177.600000112.3S71 A72A69-S71 PolarHBondContact O-N 2.86Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-A72 VanDerWaalsContact O-N 3.08Å
70Y38.2Very low52.7Low138 Ų138106.9 Ų106.954%0.54156%0.56SS.*THydrogen-bonded Turntrans-53.3-16.1-173.3-89.5-82.3000115.6R73Y70-R73 PolarHBondContact O-NE 3.44Å; Y70-R73 PolarHBondContact O-NH2 3.29Å
71S39.1Very low53.9Low114 Ų114108 Ų10880%0.79757%0.566SS**THydrogen-bonded Turntrans-83.4-22.5179.8490000115A69 R73A69-S71 PolarHBondContact O-N 2.86Å; S71-R73 PolarHBondContact O-N 3.15Å
72A40.6Very low55.1Low65 Ų65103.9 Ų103.954%0.53756%0.557SS.*  trans-95.231.7-170.900000115.4P68 A69 K74P68-A72 HydrophobicContact CB-CB 4.3Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-A72 VanDerWaalsContact O-N 3.08Å; A72-K74 PolarHBondContact O-N 3.09Å; A72-K74 VanDerWaalsContact O-N 3.13Å
73R42.2Very low56.5Low124 Ų124101.3 Ų101.347%0.46854%0.543SS..  trans-80.495.5-169.3-76-177.9-93.1-178.7-3.8113.7Y70 S71Y70-R73 PolarHBondContact O-NE 3.44Å; Y70-R73 PolarHBondContact O-NH2 3.29Å; S71-R73 PolarHBondContact O-N 3.15Å
74K44.1Very low58Low196 Ų19697.9 Ų97.985%0.85253%0.527SS*.  trans-77.7127.6148.1-69.4-176.6-179178.50108.5A72 R76A72-K74 PolarHBondContact O-N 3.09Å; A72-K74 VanDerWaalsContact O-N 3.13Å; K74-R76 PolarHBondContact O-N 3.43Å; K74-R76 VanDerWaalsContact O-N 3.1Å
75I50.3Low59.7Low103 Ų10396.7 Ų96.753%0.52852%0.52SS..  trans-61.8113172.4-64170.4000106.7R77 F79 I85I75-R77 PolarHBondContact O-N 2.99Å; I75-F79 HydrophobicContact CG2-CB 4.44Å; I75-F79 WeakPolarHBondContact CG2-O 3.28Å; I75-I85 HydrophobicContact CB-CD1 4.44Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å; I75-I85 HydrophobicContact CG2-CD1 4.24Å
76R48.7Very low61.6Low169 Ų16995.2 Ų95.264%0.63850%0.497SS*.  trans-55.7135.9173.1-75.6-175.9176.6175.5-1.5108.1K74 G78 F79K74-R76 PolarHBondContact O-N 3.43Å; K74-R76 VanDerWaalsContact O-N 3.1Å; R76-G78 PolarHBondContact O-N 3.31Å; R76-G78 VanDerWaalsContact O-N 3.09Å; R76-F79 HydrophobicContact CB-CD2 4.04Å; R76-F79 HydrophobicContact CB-CE2 4.31Å; R76-F79 PolarHBondContact O-N 2.94Å
77R52.4Low63.8Low260 Ų26092.7 Ų92.798%0.98147%0.47SS*.THydrogen-bonded Turntrans-52.6120172.4-61.9-172.6-165.1-125.95.3107.8I75I75-R77 PolarHBondContact O-N 2.99Å
78G70.1Confident65.7Low73 Ų7392.7 Ų92.775%0.75347%0.47SS*.THydrogen-bonded Turntrans120.3-21179.700000116.1R76R76-G78 PolarHBondContact O-N 3.31Å; R76-G78 VanDerWaalsContact O-N 3.09Å
79F82.1Confident67.5Low43 Ų4391.2 Ų91.219%0.18946%0.456CS..  trans-92.9131170-66.7-75.5000110.9I75 R76 M84 I85 Y88I75-F79 HydrophobicContact CG2-CB 4.44Å; I75-F79 WeakPolarHBondContact CG2-O 3.28Å; R76-F79 HydrophobicContact CB-CD2 4.04Å; R76-F79 HydrophobicContact CB-CE2 4.31Å; R76-F79 PolarHBondContact O-N 2.94Å; F79-M84 HydrophobicContact CB-SD 4.34Å; F79-M84 HydrophobicContact CD1-CB 4.1Å; F79-M84 HydrophobicContact CD1-CE 3.92Å; F79-M84 HydrophobicContact CD1-CG 3.71Å; F79-M84 HydrophobicContact CD1-SD 3.76Å; F79-M84 HydrophobicContact CE1-CE 4.36Å; F79-M84 HydrophobicContact CE1-CG 4.38Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 3.61Å; F79-I85 HydrophobicContact CD1-CG1 4.21Å; F79-I85 HydrophobicContact CD2-CG1 3.95Å; F79-I85 HydrophobicContact CG-CG1 3.66Å; F79-Y88 HydrophobicContact CE1-CD1 4.37Å; F79-Y88 HydrophobicContact CE1-CD2 4.13Å; F79-Y88 AromaticContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE2-CD1 4.46Å; F79-Y88 AromaticContact CZ-CD1 3.68Å; F79-Y88 HydrophobicContact CZ-CD1 3.68Å; F79-Y88 AromaticContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CE1 4.16Å; F79-Y88 HydrophobicContact CZ-CE2 4.3Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å; F79-Y88 VanDerWaalsContact CZ-CG 3.5Å
80Q82.7Confident69.7Low119 Ų11989.6 Ų89.656%0.55644%0.435SS*.  trans-74.6-49.4178.8-175.765.83000112.2M84 S145Q80-M84 HydrophobicContact CB-SD 4.45Å; Q80-S145 WeakPolarHBondContact CB-OG 3.48Å
81D83.3Confident72.2Confident63 Ų6388 Ų8834%0.33743%0.428SS..SBendtrans-125.1155.8-175.9-62.9-26.2000113I83 M84 I85 S145D81-I83 HydrophobicContact CB-CB 4.4Å; D81-I83 HydrophobicContact CB-CG1 4.25Å; D81-I83 PolarHBondContact O-N 3.3Å; D81-M84 VanDerWaalsContact O-CB 3.26Å; D81-M84 WeakPolarHBondContact O-CB 3.21Å; D81-M84 PolarHBondContact O-N 2.88Å; D81-I85 PolarHBondContact O-N 3.1Å; D81-S145 WeakPolarHBondContact CB-OG 3.41Å; D81-S145 PolarHBondContact OD2-OG 3.28Å
82A85.8Confident74.3Confident47 Ų4786.3 Ų86.339%0.38841%0.407SS..Hα-helixtrans-56.3-23.5167.700000113.5R86A82-R86 WeakPolarHBondContact O-CG 3.47Å; A82-R86 PolarHBondContact O-N 3.12Å; A82-R86 PolarHBondContact O-NE 3.2Å
83I88.8Confident76.3Confident60 Ų6083.9 Ų83.931%0.30839%0.386SS..Hα-helixtrans-72.6-38175.2-36.4-164.9000111.4D81 I85 R86 D87 R140D81-I83 HydrophobicContact CB-CB 4.4Å; D81-I83 HydrophobicContact CB-CG1 4.25Å; D81-I83 PolarHBondContact O-N 3.3Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.36Å; I83-D87 PolarHBondContact O-N 3.41Å; I83-R140 VanDerWaalsContact CG2-CZ 3.41Å
84M88.9Confident78.5Confident26 Ų2678.4 Ų78.413%0.12837%0.367CS..Hα-helixtrans-64.3-42.4176.2-161.4-177.8167.100110.5F79 Q80 D81 R86 D87 Y88 I142F79-M84 HydrophobicContact CB-SD 4.34Å; F79-M84 HydrophobicContact CD1-CB 4.1Å; F79-M84 HydrophobicContact CD1-CE 3.92Å; F79-M84 HydrophobicContact CD1-CG 3.71Å; F79-M84 HydrophobicContact CD1-SD 3.76Å; F79-M84 HydrophobicContact CE1-CE 4.36Å; F79-M84 HydrophobicContact CE1-CG 4.38Å; Q80-M84 HydrophobicContact CB-SD 4.45Å; D81-M84 VanDerWaalsContact O-CB 3.26Å; D81-M84 WeakPolarHBondContact O-CB 3.21Å; D81-M84 PolarHBondContact O-N 2.88Å; M84-R86 VanDerWaalsContact C-N 3.3Å; M84-R86 PolarHBondContact O-N 3.47Å; M84-D87 PolarHBondContact O-N 2.94Å; M84-Y88 WeakPolarHBondContact O-CB 3.41Å; M84-Y88 PolarHBondContact O-N 2.81Å; M84-I142 VanDerWaalsContact CE-O 3.25Å; M84-I142 WeakPolarHBondContact CE-O 3.49Å
85I86.7Confident80.4Confident15 Ų1572.4 Ų72.48%0.07735%0.353CS..Hα-helixtrans-57.8-42.6174.2-65.5177.8000111I75 F79 D81 I83 K89I75-I85 HydrophobicContact CB-CD1 4.44Å; I75-I85 HydrophobicContact CG1-CD1 4.22Å; I75-I85 HydrophobicContact CG2-CD1 4.24Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 3.61Å; F79-I85 HydrophobicContact CD1-CG1 4.21Å; F79-I85 HydrophobicContact CD2-CG1 3.95Å; F79-I85 HydrophobicContact CG-CG1 3.66Å; D81-I85 PolarHBondContact O-N 3.1Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I85-K89 HydrophobicContact CG2-CD 4.22Å; I85-K89 WeakPolarHBondContact O-CD 3.47Å; I85-K89 WeakPolarHBondContact O-CE 3.48Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.43Å; I85-K89 VanDerWaalsContact O-N 3.16Å
86R88.6Confident81.9Confident95 Ų9571 Ų7136%0.35835%0.345SS..Hα-helixtrans-64.6-44.7175.8-76.5-178.8-77.7144.6-13.8112.3A82 I83 M84 K89 R90A82-R86 WeakPolarHBondContact O-CG 3.47Å; A82-R86 PolarHBondContact O-N 3.12Å; A82-R86 PolarHBondContact O-NE 3.2Å; I83-R86 WeakPolarHBondContact O-CB 3.47Å; I83-R86 PolarHBondContact O-N 3.36Å; M84-R86 VanDerWaalsContact C-N 3.3Å; M84-R86 PolarHBondContact O-N 3.47Å; R86-K89 PolarHBondContact O-N 3.09Å; R86-R90 WeakPolarHBondContact O-CG 3.04Å; R86-R90 PolarHBondContact O-N 3.5Å; R86-R90 VanDerWaalsContact O-N 3.11Å
87D92.2Very high83.7Confident6 Ų663.7 Ų63.73%0.03232%0.317CS..Hα-helixtrans-64.1-41.9178.2-166.679.2000111.8I83 M84 K89 R90 R91 L138I83-D87 PolarHBondContact O-N 3.41Å; M84-D87 PolarHBondContact O-N 2.94Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 3.45Å; D87-R90 PolarHBondContact O-N 3.47Å; D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.42Å; D87-R91 IonicContact OD2-CZ 3.46Å; D87-R91 IonicContact OD2-NE 3.4Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.7Å; D87-R91 PolarHBondContact OD2-NH2 2.91Å; D87-L138 PolarHBondContact OD1-N 2.96Å
88Y87.5Confident85.5Confident87 Ų8753.9 Ų53.934%0.34129%0.288SS..Hα-helixtrans-56.5-45.6174.6174.3-102.8000111.9F79 M84 R91 Q92F79-Y88 HydrophobicContact CE1-CD1 4.37Å; F79-Y88 HydrophobicContact CE1-CD2 4.13Å; F79-Y88 AromaticContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE1-CG 3.8Å; F79-Y88 HydrophobicContact CE2-CD1 4.46Å; F79-Y88 AromaticContact CZ-CD1 3.68Å; F79-Y88 HydrophobicContact CZ-CD1 3.68Å; F79-Y88 AromaticContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CD2 3.84Å; F79-Y88 HydrophobicContact CZ-CE1 4.16Å; F79-Y88 HydrophobicContact CZ-CE2 4.3Å; F79-Y88 AromaticContact CZ-CG 3.5Å; F79-Y88 HydrophobicContact CZ-CG 3.5Å; F79-Y88 VanDerWaalsContact CZ-CG 3.5Å; M84-Y88 WeakPolarHBondContact O-CB 3.41Å; M84-Y88 PolarHBondContact O-N 2.81Å; Y88-R91 WeakPolarHBondContact O-CB 3.35Å; Y88-R91 PolarHBondContact O-N 3.05Å; Y88-Q92 HydrophobicContact CE1-CG 4.13Å; Y88-Q92 HydrophobicContact CE2-CG 4.49Å; Y88-Q92 WeakPolarHBondContact O-CG 3.29Å; Y88-Q92 PolarHBondContact O-N 3.4Å; Y88-Q92 VanDerWaalsContact O-N 3.12Å
89K82.3Confident86.5Confident41 Ų4155.2 Ų55.218%0.17828%0.278CS..Hα-helixtrans-62.9-44.3177.7-69.4163.5-165-172.40112.2Y67 I85 R86 D87 R91 Q92 V93Y67-K89 HydrophobicContact CE2-CD 3.58Å; Y67-K89 HydrophobicContact CE2-CG 4.04Å; Y67-K89 WeakPolarHBondContact OH-CD 3.14Å; Y67-K89 WeakPolarHBondContact OH-CE 3.38Å; Y67-K89 PolarHBondContact OH-NZ 3.34Å; I85-K89 HydrophobicContact CG2-CD 4.22Å; I85-K89 WeakPolarHBondContact O-CD 3.47Å; I85-K89 WeakPolarHBondContact O-CE 3.48Å; I85-K89 VanDerWaalsContact O-CG 3.28Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.43Å; I85-K89 VanDerWaalsContact O-N 3.16Å; R86-K89 PolarHBondContact O-N 3.09Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 3.45Å; K89-R91 PolarHBondContact O-N 3.04Å; K89-Q92 WeakPolarHBondContact O-CB 3.4Å; K89-Q92 PolarHBondContact O-N 3.06Å; K89-Q92 VanDerWaalsContact O-N 3.1Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.49Å
90R89.4Confident86.8Confident37 Ų3756.5 Ų56.514%0.1429%0.286CS..Hα-helixtrans-58-38.3174.8-68-175-164.7126.43.3112.2R86 D87 V93 S94 D131R86-R90 WeakPolarHBondContact O-CG 3.04Å; R86-R90 PolarHBondContact O-N 3.5Å; R86-R90 VanDerWaalsContact O-N 3.11Å; D87-R90 PolarHBondContact O-N 3.47Å; R90-V93 PolarHBondContact O-N 3Å; R90-S94 WeakPolarHBondContact O-CB 3.5Å; R90-S94 PolarHBondContact O-N 3.3Å; R90-D131 HydrophobicContact CG-CB 3.97Å; R90-D131 IonicContact NE-OD1 2.79Å; R90-D131 PolarHBondContact NE-OD1 3.36Å; R90-D131 IonicContact NE-OD2 3.25Å
91R89.8Confident87.3Confident104 Ų10452 Ų5239%0.39226%0.264SS..Hα-helixtrans-63.5-42.4175.7-68168-177.6-88.4-3.9111.8D87 Y88 K89 A95 I137 L138D87-R91 WeakPolarHBondContact O-CG 3.36Å; D87-R91 PolarHBondContact O-N 3.42Å; D87-R91 IonicContact OD2-CZ 3.46Å; D87-R91 IonicContact OD2-NE 3.4Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.7Å; D87-R91 PolarHBondContact OD2-NH2 2.91Å; Y88-R91 WeakPolarHBondContact O-CB 3.35Å; Y88-R91 PolarHBondContact O-N 3.05Å; K89-R91 PolarHBondContact O-N 3.04Å; R91-A95 VanDerWaalsContact O-CB 3.27Å; R91-A95 WeakPolarHBondContact O-CB 3.13Å; R91-A95 PolarHBondContact O-N 3.39Å; R91-I137 HydrophobicContact CG-CD1 4.16Å; R91-I137 HydrophobicContact CG-CG1 4.24Å; R91-I137 HydrophobicContact CG-CG2 3.77Å; R91-I137 VanDerWaalsContact CZ-CG2 3.42Å; R91-L138 PolarHBondContact NH2-O 3.38Å
92Q84.7Confident87.9Confident79 Ų7954 Ų5437%0.36927%0.274SS..Hα-helixtrans-62.5-51176.1-61.7-59.1-41.300111.3L64 Y88 K89 S94 A95 H96L64-Q92 HydrophobicContact CD2-CB 4.31Å; Y88-Q92 HydrophobicContact CE1-CG 4.13Å; Y88-Q92 HydrophobicContact CE2-CG 4.49Å; Y88-Q92 WeakPolarHBondContact O-CG 3.29Å; Y88-Q92 PolarHBondContact O-N 3.4Å; Y88-Q92 VanDerWaalsContact O-N 3.12Å; K89-Q92 WeakPolarHBondContact O-CB 3.4Å; K89-Q92 PolarHBondContact O-N 3.06Å; K89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-S94 PolarHBondContact O-N 3.01Å; Q92-A95 PolarHBondContact O-N 2.97Å; Q92-H96 PolarHBondContact O-N 3.17Å
93V81.4Confident88.5Confident15 Ų1559.9 Ų59.99%0.09129%0.286CS..Hα-helixtrans-61-44.9178.4178.20000111.3L60 L64 K89 R90 A95 H96 F97L60-V93 HydrophobicContact CD2-CB 4.45Å; L60-V93 HydrophobicContact CD2-CG1 4.07Å; L60-V93 HydrophobicContact CD2-CG2 3.8Å; L64-V93 HydrophobicContact CD1-CG2 4.07Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.49Å; R90-V93 PolarHBondContact O-N 3Å; V93-A95 VanDerWaalsContact C-N 3.34Å; V93-A95 PolarHBondContact O-N 3.27Å; V93-H96 WeakPolarHBondContact O-CB 3.48Å; V93-H96 PolarHBondContact O-N 3.34Å; V93-F97 HydrophobicContact CG1-CD2 3.88Å; V93-F97 HydrophobicContact CG1-CE2 4.17Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 3.43Å; V93-F97 VanDerWaalsContact O-N 3.09Å
94S88.2Confident88.8Confident9 Ų958 Ų586%0.06328%0.276CS..Hα-helixtrans-66.3-34.3178.3-178.60000112.8R90 Q92 C98 S132R90-S94 WeakPolarHBondContact O-CB 3.5Å; R90-S94 PolarHBondContact O-N 3.3Å; Q92-S94 PolarHBondContact O-N 3.01Å; S94-C98 WeakPolarHBondContact O-CA 3.27Å; S94-C98 VanDerWaalsContact O-CB 3.3Å; S94-C98 WeakPolarHBondContact O-CB 3.38Å; S94-C98 PolarHBondContact O-N 3.4Å; S94-S132 PolarHBondContact OG-O 3.07Å
95A85.1Confident89.1Confident69 Ų6958.6 Ų58.657%0.5728%0.28SS*.Hα-helixtrans-65.8-44.2175.600000110.6R91 Q92 V93 C98R91-A95 VanDerWaalsContact O-CB 3.27Å; R91-A95 WeakPolarHBondContact O-CB 3.13Å; R91-A95 PolarHBondContact O-N 3.39Å; Q92-A95 PolarHBondContact O-N 2.97Å; V93-A95 VanDerWaalsContact C-N 3.34Å; V93-A95 PolarHBondContact O-N 3.27Å; A95-C98 WeakPolarHBondContact O-CB 3.45Å; A95-C98 PolarHBondContact O-N 3.14Å
96H81.8Confident89.6Confident75 Ų7560.2 Ų60.235%0.34730%0.296SS..Hα-helixtrans-57.7-53.5176.7-173.7-96.5000112.6E63 Q92 V93 C98E63-H96 VanDerWaalsContact CD-NE2 3.32Å; E63-H96 IonicContact OE1-NE2 3.32Å; E63-H96 IonicContact OE2-CE1 2.94Å; E63-H96 PolarHBondContact OE2-CE1 3.35Å; E63-H96 IonicContact OE2-ND1 3.87Å; E63-H96 IonicContact OE2-NE2 2.94Å; E63-H96 PolarHBondContact OE2-NE2 3.05Å; Q92-H96 PolarHBondContact O-N 3.17Å; V93-H96 WeakPolarHBondContact O-CB 3.48Å; V93-H96 PolarHBondContact O-N 3.34Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 3.33Å
97F86.9Confident90.1Very high15 Ų1558.5 Ų58.57%0.06629%0.293CS..THydrogen-bonded Turntrans-84.52.1-176.6-73.3-75000114.5I56 L60 V93 N99 L100 R101 L128 P129I56-F97 HydrophobicContact CG2-CE2 4.4Å; I56-F97 HydrophobicContact CG2-CZ 3.92Å; L60-F97 HydrophobicContact CD2-CE2 4.01Å; V93-F97 HydrophobicContact CG1-CD2 3.88Å; V93-F97 HydrophobicContact CG1-CE2 4.17Å; V93-F97 WeakPolarHBondContact O-CD2 3.42Å; V93-F97 PolarHBondContact O-N 3.43Å; V93-F97 VanDerWaalsContact O-N 3.09Å; F97-N99 PolarHBondContact O-N 3.44Å; F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 HydrophobicContact CE1-CD2 4.5Å; F97-L100 PolarHBondContact O-N 3.45Å; F97-R101 WeakPolarHBondContact O-CG 3.39Å; F97-R101 PolarHBondContact O-N 2.93Å; F97-L128 HydrophobicContact CD1-CD2 4.13Å; F97-L128 HydrophobicContact CE1-CD2 4.2Å; F97-P129 HydrophobicContact CE2-CG 3.99Å; F97-P129 HydrophobicContact CZ-CG 4.19Å
98C89.5Confident90.2Very high53 Ų5362.7 Ų62.736%0.35831%0.308SS..Hα-helixtrans-55.5-52.9-172.7-170.10000111.8S94 A95 H96 L100 R101 I102S94-C98 WeakPolarHBondContact O-CA 3.27Å; S94-C98 VanDerWaalsContact O-CB 3.3Å; S94-C98 WeakPolarHBondContact O-CB 3.38Å; S94-C98 PolarHBondContact O-N 3.4Å; A95-C98 WeakPolarHBondContact O-CB 3.45Å; A95-C98 PolarHBondContact O-N 3.14Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 3.33Å; C98-L100 PolarHBondContact O-N 3.19Å; C98-R101 PolarHBondContact O-N 3.22Å; C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.4Å; C98-I102 PolarHBondContact O-N 3.39Å
99N90.2Very high90.6Very high101 Ų10165.7 Ų65.754%0.5432%0.323SS..Hα-helixtrans-62.2-43.8-177.1-67.7-22.7000112.1F97 I102 R103F97-N99 PolarHBondContact O-N 3.44Å; N99-I102 PolarHBondContact O-N 3.11Å; N99-R103 VanDerWaalsContact O-CG 3.31Å; N99-R103 WeakPolarHBondContact O-CG 3.31Å; N99-R103 PolarHBondContact O-N 2.95Å
100L89.8Confident91.3Very high70 Ų7067 Ų6737%0.36633%0.332SS..Hα-helixtrans-62.1-45.5178.1-176.165.6000111.3F97 C98 I102 R103 L104 L128F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 HydrophobicContact CE1-CD2 4.5Å; F97-L100 PolarHBondContact O-N 3.45Å; C98-L100 PolarHBondContact O-N 3.19Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 2.94Å; L100-R103 PolarHBondContact O-N 3.26Å; L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L100-L128 HydrophobicContact CD2-CD1 4.25Å; L100-L128 HydrophobicContact CD2-CD2 3.66Å
101R93Very high91.6Very high25 Ų2571.6 Ų71.69%0.09436%0.364CS..Hα-helixtrans-64.1-37.1177.4-69.1-173.174.674.58.3112.2F97 C98 N105 L128 S132F97-R101 WeakPolarHBondContact O-CG 3.39Å; F97-R101 PolarHBondContact O-N 2.93Å; C98-R101 PolarHBondContact O-N 3.22Å; R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.26Å; R101-N105 PolarHBondContact O-N 3.11Å; R101-N105 PolarHBondContact O-ND2 2.94Å; R101-L128 HydrophobicContact CG-CD1 3.68Å; R101-S132 VanDerWaalsContact CD-O 3.27Å; R101-S132 WeakPolarHBondContact CD-O 3.43Å; R101-S132 PolarHBondContact NH1-OG 2.96Å
102I96Very high92Very high105 Ų10574.1 Ų74.154%0.53838%0.384SS..Hα-helixtrans-63-49.8175.9-70.4165.4000109.8C98 N99 L100 N105 A106C98-I102 VanDerWaalsContact O-CG1 3.3Å; C98-I102 WeakPolarHBondContact O-CG1 3.4Å; C98-I102 PolarHBondContact O-N 3.39Å; N99-I102 PolarHBondContact O-N 3.11Å; L100-I102 VanDerWaalsContact C-N 3.33Å; L100-I102 PolarHBondContact O-N 2.94Å; I102-N105 PolarHBondContact O-N 3.34Å; I102-A106 PolarHBondContact O-N 3.22Å
103R96.7Very high92.5Very high171 Ų17173 Ų7365%0.64538%0.381SS*.Hα-helixtrans-58.4-50.2178.8-68.7169.7-173.8172.80.7112.3N99 L100 N105 A106 I107N99-R103 VanDerWaalsContact O-CG 3.31Å; N99-R103 WeakPolarHBondContact O-CG 3.31Å; N99-R103 PolarHBondContact O-N 2.95Å; L100-R103 PolarHBondContact O-N 3.26Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.16Å; R103-A106 WeakPolarHBondContact O-CB 3.47Å; R103-A106 PolarHBondContact O-N 2.88Å; R103-I107 PolarHBondContact O-N 3.21Å; R103-I107 VanDerWaalsContact O-N 3.14Å
104L95.6Very high93.3Very high21 Ų2175.7 Ų75.711%0.1140%0.398CS..Hα-helixtrans-64.3-37179-68.1171.4000112.2L100 A106 I107 R108 I125 L128L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-I107 PolarHBondContact O-N 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.01Å; L104-R108 PolarHBondContact O-N 3.03Å; L104-I125 HydrophobicContact CB-CD1 3.74Å; L104-I125 HydrophobicContact CB-CG1 3.47Å; L104-I125 VanDerWaalsContact CB-CG1 3.47Å; L104-I125 HydrophobicContact CD1-CG1 3.86Å; L104-I125 HydrophobicContact CG-CG1 4.28Å; L104-L128 HydrophobicContact CD1-CD1 4.05Å
105N96.3Very high93.6Very high37 Ų3779.8 Ų79.820%0.19842%0.416CS..Hα-helixtrans-68.4-32.1175.7-84.3-58.2000112.7R101 I102 R103 R108 K109R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.26Å; R101-N105 PolarHBondContact O-N 3.11Å; R101-N105 PolarHBondContact O-ND2 2.94Å; I102-N105 PolarHBondContact O-N 3.34Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.16Å; N105-R108 PolarHBondContact OD1-NE 3.32Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; N105-K109 VanDerWaalsContact O-CB 3.31Å; N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 VanDerWaalsContact O-CG 3.31Å; N105-K109 WeakPolarHBondContact O-CG 3.45Å; N105-K109 PolarHBondContact O-N 3.4Å; N105-K109 VanDerWaalsContact O-N 3.1Å
106A97.4Very high94.2Very high50 Ų5082.7 Ų82.741%0.41342%0.418SS..Hα-helixtrans-61.3-53.9172.100000109.6I102 R103 L104 R108 K109 N110I102-A106 PolarHBondContact O-N 3.22Å; R103-A106 WeakPolarHBondContact O-CB 3.47Å; R103-A106 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.25Å; A106-K109 PolarHBondContact O-N 3.41Å; A106-K109 VanDerWaalsContact O-N 3.14Å; A106-N110 PolarHBondContact O-N 2.9Å; A106-N110 VanDerWaalsContact O-N 3.16Å; A106-N110 PolarHBondContact O-ND2 2.78Å; A106-N110 VanDerWaalsContact O-ND2 3.08Å; A106-N110 PolarHBondContact O-OD1 3.09Å; A106-N110 VanDerWaalsContact O-OD1 3.07Å
107I97.3Very high94.8Very high58 Ų5882.8 Ų82.830%0.29742%0.42SS..Hα-helixtrans-53.1-51.5177.8-62.7168.8000111.3R103 L104 K109 N110 L113 I117 A121R103-I107 PolarHBondContact O-N 3.21Å; R103-I107 VanDerWaalsContact O-N 3.14Å; L104-I107 PolarHBondContact O-N 3.27Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.3Å; I107-N110 WeakPolarHBondContact CA-ND2 3.5Å; I107-N110 PolarHBondContact O-N 3.18Å; I107-L113 HydrophobicContact CG2-CD1 3.91Å; I107-I117 HydrophobicContact CG2-CG2 3.75Å; I107-A121 HydrophobicContact CB-CB 4.09Å; I107-A121 HydrophobicContact CG2-CB 3.69Å
108R95.5Very high95.3Very high95 Ų9583.7 Ų83.736%0.35842%0.424SS..Hα-helixtrans-61-34.5-178.2-175.2-177.96582-0.9113.7L104 N105 A106 A121 T122 I125L104-R108 WeakPolarHBondContact O-CB 3.01Å; L104-R108 PolarHBondContact O-N 3.03Å; N105-R108 PolarHBondContact OD1-NE 3.32Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; A106-R108 PolarHBondContact O-N 3.25Å; R108-A121 HydrophobicContact CB-CB 4.34Å; R108-T122 VanDerWaalsContact CD-OG1 3.27Å; R108-T122 WeakPolarHBondContact CD-OG1 3.26Å; R108-T122 WeakPolarHBondContact CG-OG1 3.3Å; R108-I125 HydrophobicContact CB-CD1 4.44Å
109K96.2Very high95.5Very high150 Ų15084.9 Ų84.965%0.65243%0.427SS*.Hα-helixtrans-93-0.5-175.7-70.4-177174-170.50113.8N105 A106 I107N105-K109 VanDerWaalsContact O-CB 3.31Å; N105-K109 WeakPolarHBondContact O-CB 3.45Å; N105-K109 VanDerWaalsContact O-CG 3.31Å; N105-K109 WeakPolarHBondContact O-CG 3.45Å; N105-K109 PolarHBondContact O-N 3.4Å; N105-K109 VanDerWaalsContact O-N 3.1Å; A106-K109 PolarHBondContact O-N 3.41Å; A106-K109 VanDerWaalsContact O-N 3.14Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.3Å
110N97Very high95.7Very high69 Ų6984.4 Ų84.437%0.36942%0.424SS..  trans-71.8142.6179-70.6-31.3000111.3A106 I107 L113 K118A106-N110 PolarHBondContact O-N 2.9Å; A106-N110 VanDerWaalsContact O-N 3.16Å; A106-N110 PolarHBondContact O-ND2 2.78Å; A106-N110 VanDerWaalsContact O-ND2 3.08Å; A106-N110 PolarHBondContact O-OD1 3.09Å; A106-N110 VanDerWaalsContact O-OD1 3.07Å; I107-N110 WeakPolarHBondContact CA-ND2 3.5Å; I107-N110 PolarHBondContact O-N 3.18Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.96Å; N110-L113 HydrophobicContact CB-CG 3.98Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.41Å; N110-K118 VanDerWaalsContact O-CD 3.3Å; N110-K118 WeakPolarHBondContact O-CD 3.12Å
111T96.2Very high95.9Very high132 Ų13281.2 Ų81.281%0.8141%0.408SS*.SBendtrans-90.8-24.3174.850.20000113.1
112I97.3Very high96Very high158 Ų15883 Ų8381%0.8142%0.422SS*.SBendtrans-79.4-30-174.2-59.9163.3000112.2
113L95.3Very high95.8Very high56 Ų5683.4 Ų83.429%0.29342%0.424SS..SBendtrans-78.8147.2-172.7-62.1179.9000112.4I107 N110 I117 K118I107-L113 HydrophobicContact CG2-CD1 3.91Å; N110-L113 HydrophobicContact CB-CB 4.44Å; N110-L113 HydrophobicContact CB-CD1 3.96Å; N110-L113 HydrophobicContact CB-CG 3.98Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.41Å; L113-I117 HydrophobicContact CD1-CG2 4.42Å; L113-K118 HydrophobicContact CB-CG 4.46Å; L113-K118 WeakPolarHBondContact O-CE 3.27Å; L113-K118 PolarHBondContact O-NZ 2.96Å
114P97.6Very high95.5Very high70 Ų7082 Ų8246%0.45542%0.42SS..  trans-52.3151.7169.8-25.432.9000113.2E116 I117 K118P114-E116 VanDerWaalsContact C-N 3.31Å; P114-E116 WeakPolarHBondContact CB-OE2 3.4Å; P114-E116 PolarHBondContact O-N 3.12Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.4Å; P114-K118 WeakPolarHBondContact O-CE 3.27Å; P114-K118 PolarHBondContact O-N 3.38Å
115Q95.9Very high95.3Very high96 Ų9682.2 Ų82.245%0.44942%0.421SS..Hα-helixtrans-65.6-35.9-175.3-172.158.741.800112.3I117 K118 D119Q115-I117 VanDerWaalsContact C-N 3.32Å; Q115-I117 PolarHBondContact O-N 3Å; Q115-K118 VanDerWaalsContact CA-CE 3.45Å; Q115-K118 WeakPolarHBondContact O-CA 3.41Å; Q115-K118 WeakPolarHBondContact O-CB 3.4Å; Q115-K118 PolarHBondContact O-N 2.81Å; Q115-D119 PolarHBondContact NE2-OD1 3.31Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 2.94Å
116E96.1Very high95Very high130 Ų13083 Ų8361%0.60743%0.429SS*.Hα-helixtrans-59.6-43.8-178.1-55.472.9-157.300110.9P114 K118 D119 L120P114-E116 VanDerWaalsContact C-N 3.31Å; P114-E116 WeakPolarHBondContact CB-OE2 3.4Å; P114-E116 PolarHBondContact O-N 3.12Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; E116-D119 PolarHBondContact O-N 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 3.14Å
117I96.1Very high94.5Very high76 Ų7683.2 Ų83.239%0.3943%0.427SS..Hα-helixtrans-66-37.6177.9-63.7177000110.9I107 L113 P114 Q115 A121I107-I117 HydrophobicContact CG2-CG2 3.75Å; L113-I117 HydrophobicContact CD1-CG2 4.42Å; P114-I117 HydrophobicContact CG-CD1 4.38Å; P114-I117 PolarHBondContact O-N 3.4Å; Q115-I117 VanDerWaalsContact C-N 3.32Å; Q115-I117 PolarHBondContact O-N 3Å; I117-A121 WeakPolarHBondContact O-CB 3.3Å; I117-A121 PolarHBondContact O-N 3.1Å
118K95.9Very high93.9Very high34 Ų3481.3 Ų81.315%0.14842%0.418CS..Hα-helixtrans-69.2-36.9177.6-65.1177.9-61.3-174.30111.5N110 L113 P114 Q115 E116 A121 T122N110-K118 VanDerWaalsContact O-CD 3.3Å; N110-K118 WeakPolarHBondContact O-CD 3.12Å; L113-K118 HydrophobicContact CB-CG 4.46Å; L113-K118 WeakPolarHBondContact O-CE 3.27Å; L113-K118 PolarHBondContact O-NZ 2.96Å; P114-K118 WeakPolarHBondContact O-CE 3.27Å; P114-K118 PolarHBondContact O-N 3.38Å; Q115-K118 VanDerWaalsContact CA-CE 3.45Å; Q115-K118 WeakPolarHBondContact O-CA 3.41Å; Q115-K118 WeakPolarHBondContact O-CB 3.4Å; Q115-K118 PolarHBondContact O-N 2.81Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; K118-A121 PolarHBondContact O-N 3.33Å; K118-T122 PolarHBondContact O-N 2.96Å; K118-T122 PolarHBondContact O-OG1 3.07Å
119D95Very high93.5Very high78 Ų7877.9 Ų77.942%0.41741%0.408SS..Hα-helixtrans-67.7-44.6176.1-66.5-18.3000110.5Q115 E116 A121 T122 L123Q115-D119 PolarHBondContact NE2-OD1 3.31Å; Q115-D119 VanDerWaalsContact O-CG 3.28Å; Q115-D119 PolarHBondContact O-N 2.94Å; E116-D119 PolarHBondContact O-N 3.25Å; D119-A121 PolarHBondContact O-N 3Å; D119-T122 WeakPolarHBondContact O-CB 3.37Å; D119-T122 PolarHBondContact O-N 3.32Å; D119-T122 VanDerWaalsContact O-N 3.09Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 3.08Å
120L94.2Very high93.1Very high92 Ų9277.9 Ų77.948%0.48240%0.404SS..Hα-helixtrans-57-47.4171.5-70.9176.5000111.7E116 T122 L123 Y124E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 3.14Å; L120-T122 PolarHBondContact O-N 3.41Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L120-Y124 HydrophobicContact CB-CD2 4.48Å; L120-Y124 HydrophobicContact CB-CE2 4.31Å; L120-Y124 WeakPolarHBondContact O-CD2 3.41Å; L120-Y124 PolarHBondContact O-N 2.84Å
121A94.2Very high92.7Very high3 Ų376.7 Ų76.73%0.02540%0.397CS..Hα-helixtrans-60.5-34.7176.900000112.5I107 R108 I117 K118 D119 Y124 I125I107-A121 HydrophobicContact CB-CB 4.09Å; I107-A121 HydrophobicContact CG2-CB 3.69Å; R108-A121 HydrophobicContact CB-CB 4.34Å; I117-A121 WeakPolarHBondContact O-CB 3.3Å; I117-A121 PolarHBondContact O-N 3.1Å; K118-A121 PolarHBondContact O-N 3.33Å; D119-A121 PolarHBondContact O-N 3Å; A121-Y124 PolarHBondContact O-N 2.95Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 2.81Å
122T93.7Very high92.2Very high63 Ų6370.4 Ų70.439%0.38736%0.359SS..Hα-helixtrans-67-43.2175.2-59.20000111.4R108 K118 D119 L120 I125 S126R108-T122 VanDerWaalsContact CD-OG1 3.27Å; R108-T122 WeakPolarHBondContact CD-OG1 3.26Å; R108-T122 WeakPolarHBondContact CG-OG1 3.3Å; K118-T122 PolarHBondContact O-N 2.96Å; K118-T122 PolarHBondContact O-OG1 3.07Å; D119-T122 WeakPolarHBondContact O-CB 3.37Å; D119-T122 PolarHBondContact O-N 3.32Å; D119-T122 VanDerWaalsContact O-N 3.09Å; L120-T122 PolarHBondContact O-N 3.41Å; T122-I125 PolarHBondContact O-N 3Å; T122-S126 PolarHBondContact O-N 3.05Å
123L92.1Very high92Very high113 Ų11365 Ų6559%0.59233%0.331SS*.Hα-helixtrans-62.7-39.8173.6-65.8171.8000112D119 L120 S126 S127D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 3.08Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L123-S126 PolarHBondContact O-N 2.57Å; L123-S126 PolarHBondContact O-OG 3.25Å; L123-S127 PolarHBondContact O-N 2.77Å
124Y90.3Very high91.9Very high141 Ų14170.9 Ų70.955%0.55335%0.35SS*.Hα-helixtrans-66.4-40.7174-75.8-64.4000112.4L120 A121 S126 S127 L128L120-Y124 HydrophobicContact CB-CD2 4.48Å; L120-Y124 HydrophobicContact CB-CE2 4.31Å; L120-Y124 WeakPolarHBondContact O-CD2 3.41Å; L120-Y124 PolarHBondContact O-N 2.84Å; A121-Y124 PolarHBondContact O-N 2.95Å; Y124-S126 VanDerWaalsContact C-N 3.28Å; Y124-S126 PolarHBondContact O-N 3.13Å; Y124-S127 PolarHBondContact O-N 2.79Å; Y124-S127 PolarHBondContact O-OG 3.06Å; Y124-L128 WeakPolarHBondContact O-CG 3.31Å; Y124-L128 PolarHBondContact O-N 3.14Å
125I90.9Very high91.8Very high25 Ų2571.8 Ų71.813%0.12836%0.355CS..Hα-helixtrans-64-36.9176.4-71.8170.5000111.3L104 R108 A121 T122L104-I125 HydrophobicContact CB-CD1 3.74Å; L104-I125 HydrophobicContact CB-CG1 3.47Å; L104-I125 VanDerWaalsContact CB-CG1 3.47Å; L104-I125 HydrophobicContact CD1-CG1 3.86Å; L104-I125 HydrophobicContact CG-CG1 4.28Å; R108-I125 HydrophobicContact CB-CD1 4.44Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-I125 PolarHBondContact O-N 2.81Å; T122-I125 PolarHBondContact O-N 3Å
126S90.4Very high91.7Very high53 Ų5370.6 Ų70.637%0.37135%0.346SS..Hα-helixtrans-70.8-34.7178.969.60000111.7H50 T122 L123 Y124 L128H50-S126 PolarHBondContact CE1-O 3.17Å; H50-S126 PolarHBondContact ND1-O 3.02Å; T122-S126 PolarHBondContact O-N 3.05Å; L123-S126 PolarHBondContact O-N 2.57Å; L123-S126 PolarHBondContact O-OG 3.25Å; Y124-S126 VanDerWaalsContact C-N 3.28Å; Y124-S126 PolarHBondContact O-N 3.13Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 3.15Å
127S87.5Confident91.6Very high55 Ų5566.6 Ų66.639%0.38533%0.328SS..Hα-helixtrans-68.4-22.5178.574.50000114.5I56 L123 Y124I56-S127 WeakPolarHBondContact CD1-O 3.16Å; L123-S127 PolarHBondContact O-N 2.77Å; Y124-S127 PolarHBondContact O-N 2.79Å; Y124-S127 PolarHBondContact O-OG 3.06Å
128L85Confident91.5Very high18 Ų1865.6 Ų65.69%0.09432%0.323CS..SBendtrans-63.1156.3176.9-65.1178.4000113F97 L100 R101 L104 Y124 S126 R130F97-L128 HydrophobicContact CD1-CD2 4.13Å; F97-L128 HydrophobicContact CE1-CD2 4.2Å; L100-L128 HydrophobicContact CD2-CD1 4.25Å; L100-L128 HydrophobicContact CD2-CD2 3.66Å; R101-L128 HydrophobicContact CG-CD1 3.68Å; L104-L128 HydrophobicContact CD1-CD1 4.05Å; Y124-L128 WeakPolarHBondContact O-CG 3.31Å; Y124-L128 PolarHBondContact O-N 3.14Å; S126-L128 VanDerWaalsContact C-N 3.29Å; S126-L128 PolarHBondContact O-N 3.15Å; L128-R130 PolarHBondContact O-N 3.4Å
129P86.6Confident91.4Very high24 Ų2467.3 Ų67.316%0.15634%0.339CS..  trans-58.6135.6178.2-24.936.8000111.2I56 F97 D131 S132I56-P129 HydrophobicContact CB-CG 4.2Å; I56-P129 HydrophobicContact CD1-CG 4.02Å; I56-P129 HydrophobicContact CG2-CB 4.45Å; I56-P129 HydrophobicContact CG2-CG 3.13Å; F97-P129 HydrophobicContact CE2-CG 3.99Å; F97-P129 HydrophobicContact CZ-CG 4.19Å; P129-D131 PolarHBondContact O-N 3.31Å; P129-D131 VanDerWaalsContact O-N 3.14Å; P129-S132 WeakPolarHBondContact O-CB 3.45Å; P129-S132 PolarHBondContact O-N 2.91Å; P129-S132 PolarHBondContact O-OG 3.01Å
130R88.9Confident91.3Very high150 Ų15065.1 Ų65.157%0.56633%0.325SS*.G310 helixtrans-55.2-37.4178-170.8176.3-176.4-173.23.5112.7L128 S132 N133 R136L128-R130 PolarHBondContact O-N 3.4Å; R130-S132 PolarHBondContact O-N 3.18Å; R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.09Å; R130-R136 WeakPolarHBondContact O-CD 3.44Å
131D87.9Confident91.3Very high43 Ų4360.8 Ų60.823%0.2330%0.303CS..G310 helixtrans-73.9-8.3-179.7-80.6-9.6000114.1R90 P129 N133 R136R90-D131 HydrophobicContact CG-CB 3.97Å; R90-D131 IonicContact NE-OD1 2.79Å; R90-D131 PolarHBondContact NE-OD1 3.36Å; R90-D131 IonicContact NE-OD2 3.25Å; P129-D131 PolarHBondContact O-N 3.31Å; P129-D131 VanDerWaalsContact O-N 3.14Å; D131-N133 PolarHBondContact O-N 2.8Å; D131-R136 IonicContact OD1-CZ 2.99Å; D131-R136 IonicContact OD1-NE 3.88Å; D131-R136 PolarHBondContact OD1-NE 3.31Å; D131-R136 IonicContact OD1-NH2 2.85Å; D131-R136 PolarHBondContact OD1-NH2 3.15Å
132S86.6Confident91.2Very high0 Ų065.1 Ų65.10%032%0.324CS..G310 helixtrans-70-16.2167.9720000113.4S94 R101 P129 R130 W134S94-S132 PolarHBondContact OG-O 3.07Å; R101-S132 VanDerWaalsContact CD-O 3.27Å; R101-S132 WeakPolarHBondContact CD-O 3.43Å; R101-S132 PolarHBondContact NH1-OG 2.96Å; P129-S132 WeakPolarHBondContact O-CB 3.45Å; P129-S132 PolarHBondContact O-N 2.91Å; P129-S132 PolarHBondContact O-OG 3.01Å; R130-S132 PolarHBondContact O-N 3.18Å; S132-W134 PolarHBondContact O-N 3.22Å
133N92.6Very high91Very high44 Ų4465 Ų6524%0.23532%0.324CS..  trans-76.1115.2-177.9-168.9-2.5000111.4R130 D131 T135 R136R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.09Å; D131-N133 PolarHBondContact O-N 2.8Å; N133-T135 VanDerWaalsContact CG-OG1 3.23Å; N133-T135 PolarHBondContact ND2-OG1 3.46Å; N133-T135 VanDerWaalsContact ND2-OG1 3.15Å; N133-T135 PolarHBondContact O-N 3.02Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 PolarHBondContact OD1-N 3.47Å; N133-T135 PolarHBondContact OD1-OG1 3.08Å; N133-R136 HydrophobicContact CB-CG 4.37Å; N133-R136 WeakPolarHBondContact O-CB 3.25Å; N133-R136 PolarHBondContact O-N 3.44Å
134W92.4Very high90.9Very high180 Ų18062 Ų6268%0.68231%0.31SS*.G310 helixtrans-55.2-28.8179.463.3-76.6000113.9S132 R136 I137S132-W134 PolarHBondContact O-N 3.22Å; W134-R136 PolarHBondContact O-N 3.21Å; W134-R136 VanDerWaalsContact O-N 3.13Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 PolarHBondContact O-N 3.46Å; W134-I137 VanDerWaalsContact O-N 3.14Å
135T95.3Very high91Very high90 Ų9055.4 Ų55.455%0.55228%0.284SS*.G310 helixtrans-64.2-17.2177.463.50000113.8N133N133-T135 VanDerWaalsContact CG-OG1 3.23Å; N133-T135 PolarHBondContact ND2-OG1 3.46Å; N133-T135 VanDerWaalsContact ND2-OG1 3.15Å; N133-T135 PolarHBondContact O-N 3.02Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 PolarHBondContact OD1-N 3.47Å; N133-T135 PolarHBondContact OD1-OG1 3.08Å
136R94.1Very high91.1Very high71 Ų7157.8 Ų57.827%0.26829%0.292SS..G310 helixtrans-85.2-11178.8-63.3173.86273.1-8.1113.6R130 D131 N133 W134R130-R136 WeakPolarHBondContact O-CD 3.44Å; D131-R136 IonicContact OD1-CZ 2.99Å; D131-R136 IonicContact OD1-NE 3.88Å; D131-R136 PolarHBondContact OD1-NE 3.31Å; D131-R136 IonicContact OD1-NH2 2.85Å; D131-R136 PolarHBondContact OD1-NH2 3.15Å; N133-R136 HydrophobicContact CB-CG 4.37Å; N133-R136 WeakPolarHBondContact O-CB 3.25Å; N133-R136 PolarHBondContact O-N 3.44Å; W134-R136 PolarHBondContact O-N 3.21Å; W134-R136 VanDerWaalsContact O-N 3.13Å
137I93.7Very high91.2Very high46 Ų4662.3 Ų62.324%0.23630%0.301CS..  trans-75.3130.8177.8-61.3172000108.5R91 W134R91-I137 HydrophobicContact CG-CD1 4.16Å; R91-I137 HydrophobicContact CG-CG1 4.24Å; R91-I137 HydrophobicContact CG-CG2 3.77Å; R91-I137 VanDerWaalsContact CZ-CG2 3.42Å; W134-I137 WeakPolarHBondContact O-CB 3.28Å; W134-I137 PolarHBondContact O-N 3.46Å; W134-I137 VanDerWaalsContact O-N 3.14Å
138L94.1Very high91.6Very high55 Ų5568.4 Ų68.429%0.28832%0.315SS..  trans-114.6142.6178.9-64.8176000111.3D87 R91 R140 R147D87-L138 PolarHBondContact OD1-N 2.96Å; R91-L138 PolarHBondContact NH2-O 3.38Å; L138-R140 PolarHBondContact O-N 2.81Å; L138-R140 VanDerWaalsContact O-N 3.15Å; L138-R147 HydrophobicContact CD1-CG 4.4Å
139S93.3Very high92.1Very high69 Ų6969.5 Ų69.548%0.48333%0.331SS..  trans-73.7103.7171.852.60000110.6C150S139-C150 PolarHBondContact O-SG 3.35Å
140R93.9Very high92.6Very high33 Ų3369.3 Ų69.313%0.12533%0.33CS..  trans-103.2154.3177.1-67.9-175.6176.3-85-7.2111.2I83 L138 I142 S145 R146I83-R140 VanDerWaalsContact CG2-CZ 3.41Å; L138-R140 PolarHBondContact O-N 2.81Å; L138-R140 VanDerWaalsContact O-N 3.15Å; R140-I142 PolarHBondContact O-N 3.06Å; R140-S145 PolarHBondContact NH1-O 3.38Å; R140-R146 WeakPolarHBondContact CA-O 3.37Å
141C93.8Very high92.8Very high0 Ų067.2 Ų67.20%033%0.325CS..  trans-63.3129.5167.3-1750000109.3V143 T144 S145 R146 C150 S157C141-V143 VanDerWaalsContact C-N 3.29Å; C141-V143 PolarHBondContact O-N 2.9Å; C141-T144 WeakPolarHBondContact CB-OG1 3.49Å; C141-T144 PolarHBondContact SG-N 3.31Å; C141-T144 PolarHBondContact SG-OG1 3.23Å; C141-S145 VanDerWaalsContact O-CA 3.28Å; C141-S145 WeakPolarHBondContact O-CA 3.45Å; C141-S145 PolarHBondContact O-N 2.81Å; C141-R146 HydrophobicContact CB-CB 4.08Å; C141-R146 PolarHBondContact N-O 3.31Å; C141-R146 VanDerWaalsContact N-O 3.07Å; C141-C150 PolarHBondContact N-SG 3.42Å; C141-S157 PolarHBondContact SG-N 3.22Å
142I91.5Very high93.1Very high94 Ų9470.6 Ų70.648%0.48235%0.347SS..THydrogen-bonded Turntrans-64.4-36.8177.1-65169.6000111.3M84 R140 K155M84-I142 VanDerWaalsContact CE-O 3.25Å; M84-I142 WeakPolarHBondContact CE-O 3.49Å; R140-I142 PolarHBondContact O-N 3.06Å; I142-K155 HydrophobicContact CD1-CB 3.41Å; I142-K155 VanDerWaalsContact CD1-CB 3.41Å; I142-K155 HydrophobicContact CD1-CD 3.94Å; I142-K155 HydrophobicContact CD1-CG 4.32Å; I142-K155 HydrophobicContact CG1-CB 3.92Å; I142-K155 WeakPolarHBondContact CG1-O 3.2Å; I142-K155 PolarHBondContact N-O 2.81Å; I142-K155 VanDerWaalsContact N-O 3.08Å
143V89.7Confident93.5Very high61 Ų6181 Ų8137%0.3739%0.387SS..THydrogen-bonded Turntrans-80.2-48.3-175.8-177.20000112.1C141 I160C141-V143 VanDerWaalsContact C-N 3.29Å; C141-V143 PolarHBondContact O-N 2.9Å; V143-I160 HydrophobicContact CG1-CD1 4.47Å; V143-I160 HydrophobicContact CG2-CG2 4.28Å
144T90.3Very high93.6Very high51 Ų5183.8 Ų83.831%0.31339%0.394SS..THydrogen-bonded Turntrans-1154.8-16760.40000114.5C141 R146 I160C141-T144 WeakPolarHBondContact CB-OG1 3.49Å; C141-T144 PolarHBondContact SG-N 3.31Å; C141-T144 PolarHBondContact SG-OG1 3.23Å; T144-R146 PolarHBondContact O-N 2.85Å; T144-I160 HydrophobicContact CG2-CD1 3.88Å; T144-I160 HydrophobicContact CG2-CG1 3.81Å
145S92.1Very high93.6Very high1 Ų181.5 Ų81.51%0.00739%0.389CS..  trans548-175.144.80000117.3Q80 D81 R140 C141 R147Q80-S145 WeakPolarHBondContact CB-OG 3.48Å; D81-S145 WeakPolarHBondContact CB-OG 3.41Å; D81-S145 PolarHBondContact OD2-OG 3.28Å; R140-S145 PolarHBondContact NH1-O 3.38Å; C141-S145 VanDerWaalsContact O-CA 3.28Å; C141-S145 WeakPolarHBondContact O-CA 3.45Å; C141-S145 PolarHBondContact O-N 2.81Å; S145-R147 PolarHBondContact O-N 3.32Å
146R92.8Very high93.6Very high76 Ų7678 Ų7829%0.28737%0.367SS..  trans-52.2130.1177.5-167.4-179-167.1-120.97.9110.6R140 C141 T144 R148 C150R140-R146 WeakPolarHBondContact CA-O 3.37Å; C141-R146 HydrophobicContact CB-CB 4.08Å; C141-R146 PolarHBondContact N-O 3.31Å; C141-R146 VanDerWaalsContact N-O 3.07Å; T144-R146 PolarHBondContact O-N 2.85Å; R146-R148 PolarHBondContact NH1-O 3.13Å; R146-C150 PolarHBondContact O-SG 3.39Å
147R94.4Very high93.6Very high147 Ų14774.6 Ų74.656%0.55536%0.355SS*.  trans-76.4-39.1-176.9-178.7-177.5176-168-0113.7L138 S145L138-R147 HydrophobicContact CD1-CG 4.4Å; S145-R147 PolarHBondContact O-N 3.32Å
148R95.8Very high93.8Very high183 Ų18379.4 Ų79.469%0.69137%0.37SS*.SBendtrans-109.2153-169.8-63.9-176.2-174.8142.3-1.6112R146 C150R146-R148 PolarHBondContact NH1-O 3.13Å; R148-C150 VanDerWaalsContact C-N 3.35Å
149G95.6Very high93.9Very high42 Ų4281.5 Ų81.543%0.43338%0.38SS..SBendtrans63.940175.300000112.6S157 R158G149-S157 CarbonylContact O-C 3.33Å; G149-R158 PolarHBondContact O-N 2.95Å
150C95.7Very high94Very high20 Ų2079.4 Ų79.414%0.13536%0.363CS..EExtended strand (participates in β ladder)trans-89.7130.4172.2-59.50000108.8S139 C141 R146 R148 V156S139-C150 PolarHBondContact O-SG 3.35Å; C141-C150 PolarHBondContact N-SG 3.42Å; R146-C150 PolarHBondContact O-SG 3.39Å; R148-C150 VanDerWaalsContact C-N 3.35Å; C150-V156 CarbonylContact C-O 3.54Å; C150-V156 WeakPolarHBondContact CA-O 3.25Å
151K94.5Very high94.1Very high106 Ų10680.6 Ų80.646%0.46137%0.368SS..EExtended strand (participates in β ladder)trans-84115175-62.5-66.2-173.6173.50108.6R153 W154 K155 V156 W161K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 2.98Å; K151-W154 HydrophobicContact CB-CE3 3.69Å; K151-W154 HydrophobicContact CB-CZ3 4.12Å; K151-W154 HydrophobicContact CG-CE3 4.41Å; K151-W154 PolarHBondContact O-N 3.4Å; K151-K155 WeakPolarHBondContact O-CA 3.36Å; K151-K155 PolarHBondContact O-N 2.8Å; K151-V156 PolarHBondContact N-O 3.29Å; K151-W161 HydrophobicContact CG-CG 4.43Å
152T93.3Very high94.2Very high113 Ų11387.9 Ų87.969%0.69340%0.395SS*.THydrogen-bonded Turntrans-59-39.4-170.8-48.30000113.4W154 K155T152-W154 PolarHBondContact O-N 3.02Å; T152-K155 WeakPolarHBondContact O-CG 3.5Å; T152-K155 PolarHBondContact O-N 3.28Å
153R94.5Very high94.4Very high219 Ų21989 Ų8983%0.82640%0.397SS*.THydrogen-bonded Turntrans-55.6-46.5178.6-178.8174.4178.4147.2-1.1112.8K151K151-R153 VanDerWaalsContact C-N 3.33Å; K151-R153 PolarHBondContact O-N 2.98Å
154W93.9Very high94.7Very high102 Ų10289.7 Ų89.739%0.38639%0.393SS..THydrogen-bonded Turntrans-98.7-9.6-178.6-57.2-85.2000113.6K151 T152 V156 W161K151-W154 HydrophobicContact CB-CE3 3.69Å; K151-W154 HydrophobicContact CB-CZ3 4.12Å; K151-W154 HydrophobicContact CG-CE3 4.41Å; K151-W154 PolarHBondContact O-N 3.4Å; T152-W154 PolarHBondContact O-N 3.02Å; W154-V156 HydrophobicContact CB-CB 4.48Å; W154-V156 HydrophobicContact CB-CG2 4.42Å; W154-V156 WeakPolarHBondContact O-CG2 3.36Å; W154-V156 PolarHBondContact O-N 3.29Å; W154-W161 AromaticContact CD2-CD1 3.72Å; W154-W161 AromaticContact CD2-NE1 3.4Å; W154-W161 AromaticContact CE2-NE1 3.66Å; W154-W161 AromaticContact CE3-CD1 3.54Å; W154-W161 AromaticContact CE3-NE1 3.18Å; W154-W161 HydrophobicContact CH2-CZ2 4.09Å; W154-W161 AromaticContact CH2-NE1 3.54Å; W154-W161 AromaticContact CZ2-NE1 3.73Å; W154-W161 AromaticContact CZ3-CE2 3.94Å; W154-W161 HydrophobicContact CZ3-CZ2 4.32Å; W154-W161 AromaticContact CZ3-NE1 3.26Å; W154-W161 VanDerWaalsContact CZ3-NE1 3.26Å
155K94.3Very high95Very high133 Ų13387.7 Ų87.758%0.57838%0.382SS*.THydrogen-bonded Turntrans56.231-176-57.1175.2-178.6172.10113.9I142 K151 T152I142-K155 HydrophobicContact CD1-CB 3.41Å; I142-K155 VanDerWaalsContact CD1-CB 3.41Å; I142-K155 HydrophobicContact CD1-CD 3.94Å; I142-K155 HydrophobicContact CD1-CG 4.32Å; I142-K155 HydrophobicContact CG1-CB 3.92Å; I142-K155 WeakPolarHBondContact CG1-O 3.2Å; I142-K155 PolarHBondContact N-O 2.81Å; I142-K155 VanDerWaalsContact N-O 3.08Å; K151-K155 WeakPolarHBondContact O-CA 3.36Å; K151-K155 PolarHBondContact O-N 2.8Å; T152-K155 WeakPolarHBondContact O-CG 3.5Å; T152-K155 PolarHBondContact O-N 3.28Å
156V93.7Very high95.2Very high15 Ų1591 Ų919%0.09140%0.399CS..EExtended strand (participates in β ladder)trans-122.6148.9-176177.70000110.4C150 K151 W154 I160 W161C150-V156 CarbonylContact C-O 3.54Å; C150-V156 WeakPolarHBondContact CA-O 3.25Å; K151-V156 PolarHBondContact N-O 3.29Å; W154-V156 HydrophobicContact CB-CB 4.48Å; W154-V156 HydrophobicContact CB-CG2 4.42Å; W154-V156 WeakPolarHBondContact O-CG2 3.36Å; W154-V156 PolarHBondContact O-N 3.29Å; V156-I160 HydrophobicContact CG1-CB 3.34Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; V156-I160 HydrophobicContact CG1-CG2 3.31Å; V156-W161 HydrophobicContact CG1-CB 4.44Å
157S95.8Very high95.3Very high1 Ų195 Ų951%0.00742%0.416CS..EExtended strand (participates in β ladder)trans-65.7154.3174.772.30000112.1C141 G149 I159 I160 W161C141-S157 PolarHBondContact SG-N 3.22Å; G149-S157 CarbonylContact O-C 3.33Å; S157-I159 PolarHBondContact O-N 2.83Å; S157-I160 PolarHBondContact O-N 3.35Å; S157-I160 PolarHBondContact OG-N 2.85Å; S157-W161 VanDerWaalsContact O-CB 3.25Å; S157-W161 WeakPolarHBondContact O-CB 3.41Å; S157-W161 PolarHBondContact O-N 3.04Å
158R96.6Very high95.3Very high146 Ų14694.2 Ų94.255%0.55142%0.422SS*.Hα-helixtrans-52.9-30.3175.572-178.9-173.1173.83.1114.2G149 R162G149-R158 PolarHBondContact O-N 2.95Å; R158-R162 WeakPolarHBondContact O-CB 3.12Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.48Å
159I96.1Very high95.3Very high100 Ų10094.1 Ų94.151%0.51342%0.422SS..Hα-helixtrans-72.9-52.2-177.6-57.9170.8000109.4S157 W161 R162 K163S157-I159 PolarHBondContact O-N 2.83Å; I159-W161 VanDerWaalsContact C-N 3.33Å; I159-R162 PolarHBondContact O-N 3Å; I159-K163 PolarHBondContact O-N 3.04Å
160I94.9Very high95.2Very high25 Ų2593.4 Ų93.413%0.12841%0.408CS..Hα-helixtrans-68.6-36.1178.2-58.9-63.6000110.8V143 T144 V156 S157 K163 Y164V143-I160 HydrophobicContact CG1-CD1 4.47Å; V143-I160 HydrophobicContact CG2-CG2 4.28Å; T144-I160 HydrophobicContact CG2-CD1 3.88Å; T144-I160 HydrophobicContact CG2-CG1 3.81Å; V156-I160 HydrophobicContact CG1-CB 3.34Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; V156-I160 HydrophobicContact CG1-CG2 3.31Å; S157-I160 PolarHBondContact O-N 3.35Å; S157-I160 PolarHBondContact OG-N 2.85Å; I160-K163 PolarHBondContact O-N 3.13Å; I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE1 4.42Å; I160-Y164 HydrophobicContact CG2-CE2 3.36Å; I160-Y164 HydrophobicContact CG2-CG 4.48Å; I160-Y164 PolarHBondContact O-N 3.29Å
161W96.8Very high95.2Very high58 Ų5898.3 Ų98.322%0.2244%0.442CS..Hα-helixtrans-60.7-47.5175.2-175.988.1000111.3K151 W154 V156 S157 I159 Y164 A165 M170 V173K151-W161 HydrophobicContact CG-CG 4.43Å; W154-W161 AromaticContact CD2-CD1 3.72Å; W154-W161 AromaticContact CD2-NE1 3.4Å; W154-W161 AromaticContact CE2-NE1 3.66Å; W154-W161 AromaticContact CE3-CD1 3.54Å; W154-W161 AromaticContact CE3-NE1 3.18Å; W154-W161 HydrophobicContact CH2-CZ2 4.09Å; W154-W161 AromaticContact CH2-NE1 3.54Å; W154-W161 AromaticContact CZ2-NE1 3.73Å; W154-W161 AromaticContact CZ3-CE2 3.94Å; W154-W161 HydrophobicContact CZ3-CZ2 4.32Å; W154-W161 AromaticContact CZ3-NE1 3.26Å; W154-W161 VanDerWaalsContact CZ3-NE1 3.26Å; V156-W161 HydrophobicContact CG1-CB 4.44Å; S157-W161 VanDerWaalsContact O-CB 3.25Å; S157-W161 WeakPolarHBondContact O-CB 3.41Å; S157-W161 PolarHBondContact O-N 3.04Å; I159-W161 VanDerWaalsContact C-N 3.33Å; W161-Y164 PolarHBondContact O-N 3.21Å; W161-A165 HydrophobicContact CZ3-CB 4.4Å; W161-A165 WeakPolarHBondContact O-CB 3.26Å; W161-A165 PolarHBondContact O-N 3.38Å; W161-M170 HydrophobicContact CD2-CE 4.08Å; W161-M170 HydrophobicContact CG-CE 4.16Å; W161-M170 HydrophobicContact CZ2-CE 4.22Å; W161-M170 VanDerWaalsContact O-CE 3.26Å; W161-M170 WeakPolarHBondContact O-CE 3.48Å; W161-V173 HydrophobicContact CH2-CG1 4.08Å; W161-V173 HydrophobicContact CZ2-CG1 3.94Å
162R96.5Very high95.1Very high152 Ų15297.1 Ų97.157%0.57446%0.46SS*.Hα-helixtrans-60.7-46.7174-80.3-17264.8175.9-0.5111.7R158 I159 Y164 A165 D166R158-R162 WeakPolarHBondContact O-CB 3.12Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.48Å; I159-R162 PolarHBondContact O-N 3Å; R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.46Å; R162-A165 PolarHBondContact O-N 3.06Å; R162-D166 WeakPolarHBondContact O-CB 3.44Å; R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 3.38Å
163K95.8Very high95.2Very high118 Ų11893.1 Ų93.151%0.51344%0.435SS..Hα-helixtrans-52.9-47175.6-173.7174.2-178.3173.80111.3I159 I160 Y167I159-K163 PolarHBondContact O-N 3.04Å; I160-K163 PolarHBondContact O-N 3.13Å; K163-Y167 HydrophobicContact CG-CD2 3.89Å; K163-Y167 HydrophobicContact CG-CE2 3.97Å; K163-Y167 WeakPolarHBondContact O-CD2 3.44Å; K163-Y167 PolarHBondContact O-N 3.32Å
164Y95.3Very high95.2Very high75 Ų7589.6 Ų89.629%0.29443%0.432SS..Hα-helixtrans-70.5-30.9178.2-66-29.8000114I160 W161 R162 R169I160-Y164 HydrophobicContact CG2-CD2 3.79Å; I160-Y164 HydrophobicContact CG2-CE1 4.42Å; I160-Y164 HydrophobicContact CG2-CE2 3.36Å; I160-Y164 HydrophobicContact CG2-CG 4.48Å; I160-Y164 PolarHBondContact O-N 3.29Å; W161-Y164 PolarHBondContact O-N 3.21Å; R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.46Å; Y164-R169 HydrophobicContact CD1-CB 4.4Å; Y164-R169 PolarHBondContact O-N 3.25Å
165A96.4Very high95.1Very high9 Ų994.3 Ų94.37%0.07445%0.45CS..Hα-helixtrans-70-50.5176.500000111.1W161 R162 Y167 N168 M170 V173W161-A165 HydrophobicContact CZ3-CB 4.4Å; W161-A165 WeakPolarHBondContact O-CB 3.26Å; W161-A165 PolarHBondContact O-N 3.38Å; R162-A165 PolarHBondContact O-N 3.06Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.45Å; A165-N168 PolarHBondContact O-N 3Å; A165-M170 HydrophobicContact CB-CE 3.49Å; A165-M170 VanDerWaalsContact CB-CE 3.49Å; A165-V173 HydrophobicContact CB-CG1 3.71Å
166D96.2Very high95Very high70 Ų7091.4 Ų91.437%0.37445%0.45SS..Hα-helixtrans-65.8-33.6-174-64.1-24.5000111.7R162 N168R162-D166 WeakPolarHBondContact O-CB 3.44Å; R162-D166 VanDerWaalsContact O-CG 3.25Å; R162-D166 PolarHBondContact O-N 3.38Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.13Å
167Y96.1Very high94.5Very high162 Ų162101.8 Ų101.864%0.63549%0.488SS*.THydrogen-bonded Turntrans-90.519.5174.2-65.7-67.9000113.5K163 A165 R169K163-Y167 HydrophobicContact CG-CD2 3.89Å; K163-Y167 HydrophobicContact CG-CE2 3.97Å; K163-Y167 WeakPolarHBondContact O-CD2 3.44Å; K163-Y167 PolarHBondContact O-N 3.32Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.45Å; Y167-R169 WeakPolarHBondContact O-CG 3.18Å; Y167-R169 PolarHBondContact O-N 3.22Å
168N94.4Very high93.9Very high129 Ų129112 Ų11269%0.6953%0.527SS*.THydrogen-bonded Turntrans51.132.6176.6-63.6-29.3000114.6A165 D166 M170A165-N168 PolarHBondContact O-N 3Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.13Å; N168-M170 VanDerWaalsContact C-N 3.34Å
169R94.9Very high92.4Very high181 Ų181108.4 Ų108.468%0.68353%0.534SS*.  trans-86.6-5.3177.5-59.2-167.7-176.4-168.9-2.9113.3Y164 Y167Y164-R169 HydrophobicContact CD1-CB 4.4Å; Y164-R169 PolarHBondContact O-N 3.25Å; Y167-R169 WeakPolarHBondContact O-CG 3.18Å; Y167-R169 PolarHBondContact O-N 3.22Å
170M93.5Very high90.4Very high28 Ų28107.5 Ų107.514%0.13854%0.537CS..SBendtrans-113.5125.5175.4-67.6-169.3-69.400109.7W161 A165 N168 V173W161-M170 HydrophobicContact CD2-CE 4.08Å; W161-M170 HydrophobicContact CG-CE 4.16Å; W161-M170 HydrophobicContact CZ2-CE 4.22Å; W161-M170 VanDerWaalsContact O-CE 3.26Å; W161-M170 WeakPolarHBondContact O-CE 3.48Å; A165-M170 HydrophobicContact CB-CE 3.49Å; A165-M170 VanDerWaalsContact CB-CE 3.49Å; N168-M170 VanDerWaalsContact C-N 3.34Å; M170-V173 HydrophobicContact CB-CB 4Å; M170-V173 HydrophobicContact CB-CG2 3.62Å; M170-V173 HydrophobicContact CE-CB 4.28Å; M170-V173 HydrophobicContact CE-CG1 4.06Å; M170-V173 HydrophobicContact CE-CG2 4.03Å; M170-V173 HydrophobicContact SD-CG2 4.28Å
171S94.9Very high88.4Confident123 Ų123111.8 Ų111.886%0.8656%0.56SS**THydrogen-bonded Turntrans-66.6135.8177.552.80000111.5V173S171-V173 PolarHBondContact O-N 3.01Å; S171-V173 VanDerWaalsContact O-N 3.13Å
172G94.1Very high86.2Confident80 Ų80111.4 Ų111.483%0.82556%0.564SS**THydrogen-bonded Turntrans70.9-0.2176.800000115.7L174G172-L174 PolarHBondContact O-N 3.28Å
173V95.1Very high84Confident29 Ų29113 Ų11318%0.17657%0.57CS.*  trans-85.4102.7175.7-1780000108.6W161 A165 M170 S171W161-V173 HydrophobicContact CH2-CG1 4.08Å; W161-V173 HydrophobicContact CZ2-CG1 3.94Å; A165-V173 HydrophobicContact CB-CG1 3.71Å; M170-V173 HydrophobicContact CB-CB 4Å; M170-V173 HydrophobicContact CB-CG2 3.62Å; M170-V173 HydrophobicContact CE-CB 4.28Å; M170-V173 HydrophobicContact CE-CG1 4.06Å; M170-V173 HydrophobicContact CE-CG2 4.03Å; M170-V173 HydrophobicContact SD-CG2 4.28Å; S171-V173 PolarHBondContact O-N 3.01Å; S171-V173 VanDerWaalsContact O-N 3.13Å
174L93.3Very high82Confident145 Ų145110.9 Ų110.976%0.75957%0.571SS**  trans-110.3163.1174.6-63.3175.2000110.1G172 A176G172-L174 PolarHBondContact O-N 3.28Å; L174-A176 PolarHBondContact O-N 3.13Å
175W92.9Very high80.1Confident202 Ų202108.9 Ų108.977%0.76557%0.566SS**  trans-64.7130.2169.3-74.741.5000108.5R177W175-R177 PolarHBondContact O-N 3.48Å
176A91.1Very high78.3Confident71 Ų71112.3 Ų112.359%0.58758%0.577SS**  trans-65.8113.7175.800000108.5L174 W178L174-A176 PolarHBondContact O-N 3.13Å; A176-W178 HydrophobicContact CB-CH2 3.45Å; A176-W178 VanDerWaalsContact CB-CH2 3.45Å; A176-W178 HydrophobicContact CB-CZ2 3.6Å; A176-W178 HydrophobicContact CB-CZ3 3.98Å
177R84.9Confident76.5Confident233 Ų233120.2 Ų120.288%0.87960%0.602SS**  trans-116.8118.2175.4-171.4-179.2-165.9-170.34.7107.5W175W175-R177 PolarHBondContact O-N 3.48Å
178W82.3Confident75.1Confident217 Ų217118.8 Ų118.882%0.82260%0.601SS**  trans-92.7111.7171.2-19.6101.4000106A176 S180A176-W178 HydrophobicContact CB-CH2 3.45Å; A176-W178 VanDerWaalsContact CB-CH2 3.45Å; A176-W178 HydrophobicContact CB-CZ2 3.6Å; A176-W178 HydrophobicContact CB-CZ3 3.98Å; W178-S180 PolarHBondContact O-N 3.04Å; W178-S180 VanDerWaalsContact O-N 3.13Å
179G65Low74.2Confident69 Ų69114.1 Ų114.171%0.71158%0.575SS**  trans-72.298.7166.500000107.3N181G179-N181 PolarHBondContact O-N 3.19Å
180S54.4Low73.4Confident82 Ų82111.4 Ų111.457%0.57357%0.573SS**  trans-79.697.9160.774.40000105.5W178 T182W178-S180 PolarHBondContact O-N 3.04Å; W178-S180 VanDerWaalsContact O-N 3.13Å; S180-T182 WeakPolarHBondContact CB-OG1 3.48Å; S180-T182 CarbonylContact O-C 3.56Å; S180-T182 PolarHBondContact O-N 3.06Å; S180-T182 PolarHBondContact OG-O 3.42Å
181N52.9Low72.6Confident114 Ų114119.7 Ų119.761%0.6160%0.603SS**  trans-59.9-8.3167.5-84.9-5.7000111.6G179 R183 D212G179-N181 PolarHBondContact O-N 3.19Å; N181-R183 PolarHBondContact O-N 3.05Å; N181-D212 PolarHBondContact ND2-OD2 2.81Å
182T49.3Very low72Confident50 Ų50118.5 Ų118.531%0.30759%0.592SS.*SBendtrans-58.289147.233.40000109.1S180 S184 R186S180-T182 WeakPolarHBondContact CB-OG1 3.48Å; S180-T182 CarbonylContact O-C 3.56Å; S180-T182 PolarHBondContact O-N 3.06Å; S180-T182 PolarHBondContact OG-O 3.42Å; T182-S184 PolarHBondContact O-N 3.18Å; T182-R186 HydrophobicContact CG2-CB 4.03Å
183R51Low71.5Confident185 Ų185115.9 Ų115.970%0.69856%0.561SS**  trans-36.8122.2137-82.2-175.3178.3-162.10.6105.7N181 V185 R186N181-R183 PolarHBondContact O-N 3.05Å; R183-V185 HydrophobicContact CB-CB 3.95Å; R183-V185 HydrophobicContact CB-CG2 3.64Å; R183-V185 HydrophobicContact CG-CG2 4.5Å; R183-V185 WeakPolarHBondContact O-CA 3.32Å; R183-V185 PolarHBondContact O-N 3.05Å; R183-R186 PolarHBondContact O-N 3.24Å
184S53.4Low71.1Confident75 Ų75117 Ų11752%0.52457%0.569SS.*G310 helixtrans-46-21.5-179.764.30000112.4T182 R186 R187 H188T182-S184 PolarHBondContact O-N 3.18Å; S184-R186 PolarHBondContact O-N 3.21Å; S184-R187 WeakPolarHBondContact O-CA 3.38Å; S184-R187 WeakPolarHBondContact O-CB 3.45Å; S184-R187 PolarHBondContact O-N 2.72Å; S184-H188 WeakPolarHBondContact CB-NE2 3.4Å; S184-H188 PolarHBondContact O-CD2 2.82Å; S184-H188 PolarHBondContact O-N 3.34Å; S184-H188 PolarHBondContact OG-CD2 3.2Å; S184-H188 PolarHBondContact OG-NE2 3.35Å
185V55.4Low70.7Confident32 Ų32122.4 Ų122.419%0.19458%0.579CS.*G310 helixtrans-35.7-37166.2-166.80000115R183 H188 M189R183-V185 HydrophobicContact CB-CB 3.95Å; R183-V185 HydrophobicContact CB-CG2 3.64Å; R183-V185 HydrophobicContact CG-CG2 4.5Å; R183-V185 WeakPolarHBondContact O-CA 3.32Å; R183-V185 PolarHBondContact O-N 3.05Å; V185-H188 PolarHBondContact N-CD2 2.83Å; V185-H188 CarbonylContact O-C 3.53Å; V185-H188 VanDerWaalsContact O-C 3.3Å; V185-H188 WeakPolarHBondContact O-CA 3.43Å; V185-H188 PolarHBondContact O-N 2.78Å; V185-H188 VanDerWaalsContact O-N 3.07Å; V185-M189 WeakPolarHBondContact O-CG 3.45Å; V185-M189 PolarHBondContact O-N 3.29Å
186R59Low70.4Confident81 Ų81121.9 Ų121.931%0.30659%0.585SS.*G310 helixtrans-68.9-36174.4-167.6176.6178.5172.4-1.7112.9T182 R183 S184 H188 M189 Y206T182-R186 HydrophobicContact CG2-CB 4.03Å; R183-R186 PolarHBondContact O-N 3.24Å; S184-R186 PolarHBondContact O-N 3.21Å; R186-H188 PolarHBondContact O-N 3.05Å; R186-M189 PolarHBondContact O-N 3.16Å; R186-Y206 VanDerWaalsContact NH2-CZ 3.32Å; R186-Y206 PolarHBondContact NH2-OH 3.04Å
187R59.5Low70Confident237 Ų237120.4 Ų120.489%0.89457%0.569SS**THydrogen-bonded Turntrans-67.2-21.4168.8-80.3-174.9-178.3-176.50.5112.4S184S184-R187 WeakPolarHBondContact O-CA 3.38Å; S184-R187 WeakPolarHBondContact O-CB 3.45Å; S184-R187 PolarHBondContact O-N 2.72Å
188H66.2Low70.3Confident132 Ų132112 Ų11261%0.61155%0.546SS*.THydrogen-bonded Turntrans-97.84.3177.7-53.1-59.5000113.3S184 V185 R186S184-H188 WeakPolarHBondContact CB-NE2 3.4Å; S184-H188 PolarHBondContact O-CD2 2.82Å; S184-H188 PolarHBondContact O-N 3.34Å; S184-H188 PolarHBondContact OG-CD2 3.2Å; S184-H188 PolarHBondContact OG-NE2 3.35Å; V185-H188 PolarHBondContact N-CD2 2.83Å; V185-H188 CarbonylContact O-C 3.53Å; V185-H188 VanDerWaalsContact O-C 3.3Å; V185-H188 WeakPolarHBondContact O-CA 3.43Å; V185-H188 PolarHBondContact O-N 2.78Å; V185-H188 VanDerWaalsContact O-N 3.07Å; R186-H188 PolarHBondContact O-N 3.05Å
189M75.6Confident70.5Confident31 Ų31106 Ų10615%0.15353%0.533CS..  trans-85.7114.5174.2-91-178.8164.300109.1V185 R186 Y202 R205 Y206V185-M189 WeakPolarHBondContact O-CG 3.45Å; V185-M189 PolarHBondContact O-N 3.29Å; R186-M189 PolarHBondContact O-N 3.16Å; M189-Y202 WeakPolarHBondContact CA-OH 3.44Å; M189-Y202 WeakPolarHBondContact CB-OH 3.42Å; M189-Y202 HydrophobicContact CE-CE2 4.5Å; M189-Y202 HydrophobicContact CG-CE2 4.21Å; M189-Y202 WeakPolarHBondContact CG-OH 3.13Å; M189-R205 HydrophobicContact CE-CB 3.58Å; M189-R205 VanDerWaalsContact CE-CD 3.47Å; M189-R205 HydrophobicContact CE-CG 3.36Å; M189-Y206 HydrophobicContact SD-CD2 4.24Å
190L76.7Confident71.6Confident124 Ų124107 Ų10765%0.64953%0.529SS*.  trans-86.4144.8178.6-70.6150.4000111.2P192 Y202L190-P192 CarbonylContact C-O 3.58Å; L190-P192 CarbonylContact O-C 3.12Å; L190-Y202 PolarHBondContact N-OH 3.29Å; L190-Y202 VanDerWaalsContact O-CZ 3.26Å; L190-Y202 PolarHBondContact O-OH 2.99Å
191W77.1Confident73.1Confident201 Ų201108.5 Ų108.576%0.76153%0.527SS*.SBendtrans-116.5128.3168.7-172.3-103.2000108.9P193 Y202W191-P193 HydrophobicContact CE3-CG 4.2Å; W191-P193 HydrophobicContact CZ3-CG 3.82Å; W191-Y202 HydrophobicContact CE3-CE1 4.38Å
192P82.3Confident74.7Confident98 Ų98104 Ų10464%0.63650%0.502SS*.SBendcis-71.3165.71.229.9-35.5000114.2L190L190-P192 CarbonylContact C-O 3.58Å; L190-P192 CarbonylContact O-C 3.12Å
193P84.8Confident76.4Confident26 Ų26104.1 Ų104.117%0.16950%0.503CS..PPolyproline II helixtrans-56.7141.6176.7-20.231.6000111.5W191 R195 Y202W191-P193 HydrophobicContact CE3-CG 4.2Å; W191-P193 HydrophobicContact CZ3-CG 3.82Å; P193-R195 PolarHBondContact O-N 3.15Å; P193-Y202 HydrophobicContact CB-CD1 3.84Å; P193-Y202 HydrophobicContact CB-CD2 3.91Å; P193-Y202 HydrophobicContact CB-CE1 4.26Å; P193-Y202 HydrophobicContact CB-CE2 4.36Å; P193-Y202 HydrophobicContact CB-CG 3.65Å; P193-Y202 HydrophobicContact CG-CD1 3.64Å; P193-Y202 HydrophobicContact CG-CE1 4.08Å; P193-Y202 HydrophobicContact CG-CG 3.94Å
194P86.3Confident78Confident53 Ų53104.8 Ų104.834%0.34451%0.505SS..PPolyproline II helixtrans-56.4139.4171.6-21.631.9000110.8E196 T197P194-E196 PolarHBondContact O-N 3.5Å; P194-T197 PolarHBondContact O-N 3.32Å; P194-T197 PolarHBondContact O-OG1 3.39Å; P194-T197 VanDerWaalsContact O-OG1 3.04Å
195R84.3Confident79.1Confident258 Ų258107.3 Ų107.397%0.97450%0.503SS*.THydrogen-bonded Turntrans-56.7-24.2-176.2-65.3-175.1-129.8-113.61.4113.9P193 T197P193-R195 PolarHBondContact O-N 3.15Å; R195-T197 VanDerWaalsContact C-N 3.28Å; R195-T197 PolarHBondContact O-N 2.94Å
196E86.5Confident80.1Confident190 Ų190110 Ų11089%0.88851%0.51SS*.THydrogen-bonded Turntrans-72-19.8-179.9-64.7159.3-159.300113.2P194P194-E196 PolarHBondContact O-N 3.5Å
197T83.9Confident80.9Confident41 Ų41111.5 Ų111.525%0.25252%0.521SS..SBendtrans-107.7136.8-176.39.50000111.1P194 R195 V199P194-T197 PolarHBondContact O-N 3.32Å; P194-T197 PolarHBondContact O-OG1 3.39Å; P194-T197 VanDerWaalsContact O-OG1 3.04Å; R195-T197 VanDerWaalsContact C-N 3.28Å; R195-T197 PolarHBondContact O-N 2.94Å; T197-V199 PolarHBondContact O-N 2.86Å
198S89.8Confident81.5Confident56 Ų56109 Ų10939%0.39252%0.516SS..  trans-63.1138.3170.775.50000110.3S200 E201 Y202S198-S200 PolarHBondContact O-N 3.07Å; S198-S200 PolarHBondContact OG-OG 3.14Å; S198-E201 PolarHBondContact O-N 2.78Å; S198-E201 WeakPolarHBondContact OG-CB 3.36Å; S198-E201 PolarHBondContact OG-N 2.87Å; S198-Y202 WeakPolarHBondContact O-CB 3.47Å; S198-Y202 PolarHBondContact O-N 2.86Å
199V87.6Confident81.5Confident91 Ų91103.7 Ų103.755%0.55249%0.492SS*.Hα-helixtrans-58-39179.8178.90000110.5T197 Y202 V203T197-V199 PolarHBondContact O-N 2.86Å; V199-Y202 PolarHBondContact O-N 2.95Å; V199-V203 HydrophobicContact CG1-CG2 4.13Å; V199-V203 WeakPolarHBondContact O-CB 3.19Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 2.54Å
200S87.9Confident81Confident89 Ų89106 Ų10662%0.62251%0.505SS*.Hα-helixtrans-63.3-45.1178.558.10000112.1S198 R204S198-S200 PolarHBondContact O-N 3.07Å; S198-S200 PolarHBondContact OG-OG 3.14Å; S200-R204 WeakPolarHBondContact O-CB 3.21Å; S200-R204 PolarHBondContact O-N 2.84Å
201E85.9Confident80Confident114 Ų114102.9 Ų102.953%0.53350%0.497SS..Hα-helixtrans-66.2-39.7175.8-174.1-179.517600111.8S198 R204 R205S198-E201 PolarHBondContact O-N 2.78Å; S198-E201 WeakPolarHBondContact OG-CB 3.36Å; S198-E201 PolarHBondContact OG-N 2.87Å; E201-R204 PolarHBondContact O-N 3.48Å; E201-R205 VanDerWaalsContact O-CB 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.28Å; E201-R205 PolarHBondContact O-N 3.43Å
202Y86.7Confident78.5Confident19 Ų1999.2 Ų99.28%0.07549%0.493CS..Hα-helixtrans-61.3-49.7176.6-168.4-93.5000112M189 L190 W191 P193 S198 V199 R205 Y206M189-Y202 WeakPolarHBondContact CA-OH 3.44Å; M189-Y202 WeakPolarHBondContact CB-OH 3.42Å; M189-Y202 HydrophobicContact CE-CE2 4.5Å; M189-Y202 HydrophobicContact CG-CE2 4.21Å; M189-Y202 WeakPolarHBondContact CG-OH 3.13Å; L190-Y202 PolarHBondContact N-OH 3.29Å; L190-Y202 VanDerWaalsContact O-CZ 3.26Å; L190-Y202 PolarHBondContact O-OH 2.99Å; W191-Y202 HydrophobicContact CE3-CE1 4.38Å; P193-Y202 HydrophobicContact CB-CD1 3.84Å; P193-Y202 HydrophobicContact CB-CD2 3.91Å; P193-Y202 HydrophobicContact CB-CE1 4.26Å; P193-Y202 HydrophobicContact CB-CE2 4.36Å; P193-Y202 HydrophobicContact CB-CG 3.65Å; P193-Y202 HydrophobicContact CG-CD1 3.64Å; P193-Y202 HydrophobicContact CG-CE1 4.08Å; P193-Y202 HydrophobicContact CG-CG 3.94Å; S198-Y202 WeakPolarHBondContact O-CB 3.47Å; S198-Y202 PolarHBondContact O-N 2.86Å; V199-Y202 PolarHBondContact O-N 2.95Å; Y202-R205 PolarHBondContact O-N 3.36Å; Y202-Y206 WeakPolarHBondContact O-CB 3.18Å; Y202-Y206 PolarHBondContact O-N 2.87Å
203V84.8Confident76.8Confident54 Ų54104.7 Ų104.733%0.32752%0.524SS..Hα-helixtrans-63.1-42.3176.3170.30000110.5V199 R205 Y206 H207V199-V203 HydrophobicContact CG1-CG2 4.13Å; V199-V203 WeakPolarHBondContact O-CB 3.19Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 2.54Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.14Å; V203-Y206 WeakPolarHBondContact O-CB 3.32Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.14Å; V203-H207 VanDerWaalsContact CG1-CD2 3.48Å; V203-H207 WeakPolarHBondContact CG1-CD2 3.18Å; V203-H207 PolarHBondContact O-CD2 3.29Å; V203-H207 PolarHBondContact O-N 3.04Å
204R83.5Confident76.4Confident198 Ų198108.7 Ų108.775%0.74754%0.541SS*.Hα-helixtrans-61.9-41.7176-162.1179.8-153.5154.14.8111.7S200 E201 Y206 H207 K208S200-R204 WeakPolarHBondContact O-CB 3.21Å; S200-R204 PolarHBondContact O-N 2.84Å; E201-R204 PolarHBondContact O-N 3.48Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; R204-H207 PolarHBondContact O-N 3.49Å; R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 PolarHBondContact O-N 2.91Å
205R77.7Confident75.9Confident129 Ų129111.6 Ų111.649%0.48755%0.552SS.*Hα-helixtrans-68.4-33.6175.3-167.2-175.8160.8172.9-4.4111.4M189 E201 Y202 V203 N209M189-R205 HydrophobicContact CE-CB 3.58Å; M189-R205 VanDerWaalsContact CE-CD 3.47Å; M189-R205 HydrophobicContact CE-CG 3.36Å; E201-R205 VanDerWaalsContact O-CB 3.28Å; E201-R205 WeakPolarHBondContact O-CB 3.28Å; E201-R205 PolarHBondContact O-N 3.43Å; Y202-R205 PolarHBondContact O-N 3.36Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.14Å; R205-N209 PolarHBondContact O-N 3.33Å; R205-N209 PolarHBondContact O-ND2 3.19Å
206Y76.7Confident75.4Confident89 Ų89103.4 Ų103.435%0.34953%0.528SS..Hα-helixtrans-64.8-50.2172.9176.1-94.5000111.3R186 M189 Y202 V203 R204 N209 L210R186-Y206 VanDerWaalsContact NH2-CZ 3.32Å; R186-Y206 PolarHBondContact NH2-OH 3.04Å; M189-Y206 HydrophobicContact SD-CD2 4.24Å; Y202-Y206 WeakPolarHBondContact O-CB 3.18Å; Y202-Y206 PolarHBondContact O-N 2.87Å; V203-Y206 WeakPolarHBondContact O-CB 3.32Å; V203-Y206 PolarHBondContact O-N 2.86Å; V203-Y206 VanDerWaalsContact O-N 3.14Å; R204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-N209 CarbonylContact O-C 3.3Å; Y206-N209 PolarHBondContact O-N 3.48Å; Y206-N209 VanDerWaalsContact O-N 3.16Å; Y206-L210 HydrophobicContact CD1-CD1 3.63Å; Y206-L210 HydrophobicContact CE1-CD1 3.32Å; Y206-L210 PolarHBondContact O-N 3.29Å
207H75.6Confident74.8Confident112 Ų11298.4 Ų98.452%0.51951%0.507SS..Hα-helixtrans-68.4-33.6178-74-72.7000113.5V203 R204 N209 L210V203-H207 VanDerWaalsContact CG1-CD2 3.48Å; V203-H207 WeakPolarHBondContact CG1-CD2 3.18Å; V203-H207 PolarHBondContact O-CD2 3.29Å; V203-H207 PolarHBondContact O-N 3.04Å; R204-H207 PolarHBondContact O-N 3.49Å; H207-N209 PolarHBondContact O-N 3.2Å; H207-L210 WeakPolarHBondContact O-CB 3.04Å; H207-L210 PolarHBondContact O-N 3.47Å; H207-L210 VanDerWaalsContact O-N 3.15Å
208K71.2Confident74.2Confident184 Ų184101.9 Ų101.980%0.852%0.523SS*.Hα-helixtrans-65.2-22.9173-169.4174-177.2176.40112.8R204R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 PolarHBondContact O-N 2.91Å
209N67.7Low73.2Confident21 Ų21105 Ų10511%0.11253%0.532CS..THydrogen-bonded Turntrans-108.812.5175.5-60.9-51.2000112.3R205 Y206 H207 A211R205-N209 PolarHBondContact O-N 3.33Å; R205-N209 PolarHBondContact O-ND2 3.19Å; Y206-N209 CarbonylContact O-C 3.3Å; Y206-N209 PolarHBondContact O-N 3.48Å; Y206-N209 VanDerWaalsContact O-N 3.16Å; H207-N209 PolarHBondContact O-N 3.2Å; N209-A211 PolarHBondContact O-N 3.27Å
210L63.6Low72.2Confident78 Ų78106 Ų10641%0.40853%0.531SS..SBendtrans-65.2126.9165.7-120.392.7000106.1Y206 H207 D212Y206-L210 HydrophobicContact CD1-CD1 3.63Å; Y206-L210 HydrophobicContact CE1-CD1 3.32Å; Y206-L210 PolarHBondContact O-N 3.29Å; H207-L210 WeakPolarHBondContact O-CB 3.04Å; H207-L210 PolarHBondContact O-N 3.47Å; H207-L210 VanDerWaalsContact O-N 3.15Å; L210-D212 PolarHBondContact O-N 3.02Å
211A57.2Low71Confident60 Ų60107.3 Ų107.350%0.49652%0.524SS..  trans-51.7138.2178.700000109.8N209 V213N209-A211 PolarHBondContact O-N 3.27Å; A211-V213 PolarHBondContact O-N 2.99Å
212D43.9Very low69.7Low124 Ų124106.8 Ų106.866%0.66352%0.523SS*.  trans-40.9122.2160.6-60.8-55.8000108.5N181 L210N181-D212 PolarHBondContact ND2-OD2 2.81Å; L210-D212 PolarHBondContact O-N 3.02Å
213V48.1Very low68.2Low213 Ų213114.7 Ų114.7100%1.29156%0.564SS**  trans-66.40161.4178.30000107.9A211A211-V213 PolarHBondContact O-N 2.99Å

Retrieved 213 of 213 residues in 643.7 ms (Link to these results)