A0A096NG64_PAPAN Loading...

Insulin-like growth factor-binding protein 7

Binds IGF1 and IGF2 with a relatively low affinity. Stimulates prostacyclin (PGI2) production. Stimulates cell adhesion. Acts as a ligand for CD93 to play a role in angiogenesis.

AlphaFold DB , UniProt , Accession A0A096NG64, Species PAPAN (Papio anubis, Olive baboon), Gene IGFBP7, Length 282 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
1M39.3Very low41.2Very low245 Ų245162 Ų162100%1.20784%0.841SS**  0103.80-66.5167.1179.600104.5
2E36.7Very low41.2Very low184 Ų184154.7 Ų154.786%0.8683%0.834SS**  cis-151.215333.8-76.4-125.996.800110.2
3R41Very low41.9Very low235 Ų235151.2 Ų151.289%0.88784%0.84SS**  trans-117146.3152.2-80.9-174.5178.3-162.70.4104.5
4P47.5Very low42.5Very low121 Ų121147.7 Ų147.779%0.78684%0.84SS**  -147.6-168.564.735.7-11.5000111.5
5S40.1Very low42.9Very low108 Ų108142.5 Ų142.576%0.75583%0.832SS**  cis-159153.923.5-163.60000112.7
6L43Very low43.5Very low153 Ų153143.6 Ų143.680%0.80183%0.833SS**  trans-80.8132.7165.9-80.8123.8000110.6
7H43.7Very low43.7Very low185 Ų185144.3 Ų144.386%0.85683%0.831SS**  trans-155.894.4147.1-99.4-57000105
8A39.1Very low44.1Very low69 Ų69143.7 Ų143.757%0.5782%0.824SS**  61.8105.564.300000113.3
9L40.2Very low44.4Very low158 Ų158143.8 Ų143.883%0.82782%0.821SS**  trans77.4113.3162.5-69.591.8000119.1
10L37.4Very low44.6Very low158 Ų158144.7 Ų144.783%0.82782%0.822SS**  -167.8107.4118.3-98.2141.8000110.8
11L44.7Very low44.7Very low166 Ų166144.6 Ų144.687%0.86982%0.819SS**  trans32.2121137.4-72.2134.5000119.6
12G41.3Very low45Very low74 Ų74138 Ų13876%0.76379%0.794SS**  trans-178.585.3160.500000112.5A14G12-A14 PolarHBondContact O-N 3.31Å
13A50.4Low45.5Very low110 Ų110136.8 Ų136.891%0.90979%0.792SS**  trans-63.799.8169.800000109.7G15A13-G15 PolarHBondContact O-N 3.16Å
14A50Low45.6Very low102 Ų102130.6 Ų130.684%0.84379%0.785SS**  trans-8290.8168.500000108.4G12 L16G12-A14 PolarHBondContact O-N 3.31Å; A14-L16 PolarHBondContact O-N 3.3Å
15G48.9Very low45.5Very low70 Ų70129.8 Ų129.872%0.72278%0.783SS**  trans-58.8129.5170.700000110.9A13 L17A13-G15 PolarHBondContact O-N 3.16Å; G15-L17 VanDerWaalsContact C-N 3.29Å; G15-L17 PolarHBondContact O-N 3.11Å
16L51.9Low45.7Very low160 Ų160130.1 Ų130.184%0.83879%0.785SS**  trans-66.185.6170.8-168.877.7000108.9A14 L18A14-L16 PolarHBondContact O-N 3.3Å; L16-L18 HydrophobicContact CD2-CD1 3.89Å; L16-L18 HydrophobicContact CG-CD1 4.22Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-L18 VanDerWaalsContact O-N 3.1Å
17L48.1Very low45.8Very low155 Ų155127.8 Ų127.881%0.81278%0.781SS**  trans-79.287.5172.6-16176.8000108.3G15 L19G15-L17 VanDerWaalsContact C-N 3.29Å; G15-L17 PolarHBondContact O-N 3.11Å; L17-L19 PolarHBondContact O-N 3.49Å
18L51Low46.3Very low133 Ų133124.3 Ų124.370%0.69678%0.778SS**  trans-59.5104.9161.6-96.1112.4000107.8L16 L20L16-L18 HydrophobicContact CD2-CD1 3.89Å; L16-L18 HydrophobicContact CG-CD1 4.22Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.15Å
19L48.8Very low46.9Very low147 Ų147124.8 Ų124.877%0.7778%0.777SS**  trans-62.792.3166.2-84.3151.3000108.4L17 L21L17-L19 PolarHBondContact O-N 3.49Å; L19-L21 PolarHBondContact O-N 2.68Å
20L49.3Very low47.9Very low160 Ų160124.2 Ų124.284%0.83877%0.774SS**  trans-65.388.5158.8-71166.9000107.1L18 P22L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.15Å; L20-P22 WeakPolarHBondContact O-CD 3.45Å
21L46.6Very low49.6Very low144 Ų144121.6 Ų121.675%0.75477%0.765SS**  trans-58.3118.6162.8-79.9156.3000106.9L19 L23L19-L21 PolarHBondContact O-N 2.68Å; L21-L23 PolarHBondContact O-N 3.2Å
22P44.9Very low51.3Low105 Ų105117 Ų11768%0.68275%0.747SS**  trans-64.5115.317126.8-29.6000106.4L20 S24L20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-S24 PolarHBondContact O-N 3.23Å
23L47Very low53.5Low159 Ų159116.4 Ų116.483%0.83274%0.74SS**  trans-63.191.9156.6-91.581000105.5L21 S25L21-L23 PolarHBondContact O-N 3.2Å; L23-S25 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-OG 3.23Å
24S44.2Very low55.4Low105 Ų105117 Ų11773%0.73473%0.734SS**  trans-5892.9165.2-62.10000106.6P22 S26P22-S24 PolarHBondContact O-N 3.23Å; S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.23Å
25S45.1Very low57.3Low105 Ų105115.4 Ų115.473%0.73472%0.717SS**  trans-67.695.5168.7-54.80000104.5L23 S27L23-S25 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-OG 3.23Å; S25-S27 PolarHBondContact O-N 3Å
26S44.3Very low59.4Low115 Ų115118.5 Ų118.580%0.80471%0.712SS**  trans-67.878.4167.844.90000107.5S24 S28S24-S26 VanDerWaalsContact C-N 3.27Å; S24-S26 PolarHBondContact O-N 3.23Å; S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.07Å
27S45.3Very low61.2Low104 Ų104115.5 Ų115.573%0.72770%0.702SS**  trans-62.498.7159580000105.6S25 S29S25-S27 PolarHBondContact O-N 3Å; S27-S29 PolarHBondContact O-N 3.31Å
28S54.1Low63.3Low112 Ų112113.3 Ų113.378%0.78371%0.707SS**  trans-61.193.2168.456.30000107S26S26-S28 VanDerWaalsContact C-N 3.26Å; S26-S28 PolarHBondContact O-N 3.07Å
29S51.8Low65.2Low78 Ų78110.6 Ų110.655%0.54570%0.703SS.*  trans-58137.1167.247.80000107.7S27 T31S27-S29 PolarHBondContact O-N 3.31Å; S29-T31 WeakPolarHBondContact CB-OG1 3.43Å; S29-T31 PolarHBondContact O-N 3.2Å; S29-T31 PolarHBondContact OG-OG1 3.06Å
30D59.7Low67.2Low146 Ų146104.6 Ų104.678%0.78167%0.674SS**SBendtrans-66.339.5171.9-79.4-56.9000111.7R78D30-R78 IonicContact OD1-NH2 3.8Å
31T73.9Confident69Low104 Ų104101.3 Ų101.364%0.63866%0.662SS**  trans-108.6111.4-177.7510000108.8S29 G33S29-T31 WeakPolarHBondContact CB-OG1 3.43Å; S29-T31 PolarHBondContact O-N 3.2Å; S29-T31 PolarHBondContact OG-OG1 3.06Å; T31-G33 PolarHBondContact O-N 2.81Å
32C81.4Confident71Confident70 Ų70100.5 Ų100.547%0.47367%0.665SS.*  trans-64131.6174-65.80000110.7C57C32-C57 HydrophobicContact CB-CB 3.53Å; C32-C57 WeakPolarHBondContact CB-SG 3.34Å; C32-C57 WeakPolarHBondContact SG-CA 3.48Å; C32-C57 WeakPolarHBondContact SG-CB 3.39Å; C32-C57 CovalentContact SG-SG 2.04Å; C32-C57 PolarHBondContact SG-SG 2.8Å
33G86.2Confident73Confident60 Ų6097.9 Ų97.962%0.61965%0.645SS**  trans-78.3-177.7170.300000112.4T31T31-G33 PolarHBondContact O-N 2.81Å
34P90.3Very high74.9Confident122 Ų12293.3 Ų93.379%0.79263%0.625SS**  trans-54.2140.3170.6-22.433.5000111.3E36P34-E36 PolarHBondContact O-N 3.31Å
35C91.2Very high76.8Confident70 Ų7095 Ų9547%0.47363%0.633SS.*  trans-73.5125.3177.1176.60000110.5P37 C59C35-P37 WeakPolarHBondContact O-CD 3.5Å; C35-C59 WeakPolarHBondContact CA-SG 3.39Å; C35-C59 HydrophobicContact CB-CB 3.64Å; C35-C59 WeakPolarHBondContact CB-SG 3.26Å; C35-C59 WeakPolarHBondContact SG-CA 3.45Å; C35-C59 WeakPolarHBondContact SG-CB 3.27Å; C35-C59 CovalentContact SG-SG 2.04Å; C35-C59 PolarHBondContact SG-SG 3.07Å
36E93.3Very high78.5Confident134 Ų13497.3 Ų97.363%0.62664%0.637SS**  trans-11587.6174.9-69.1-179.5-172.600110.1P34 A38 A39 C59P34-E36 PolarHBondContact O-N 3.31Å; E36-A38 PolarHBondContact O-N 2.81Å; E36-A38 VanDerWaalsContact O-N 3.14Å; E36-A39 HydrophobicContact CB-CB 4.28Å; E36-A39 PolarHBondContact O-N 2.9Å; E36-C59 PolarHBondContact N-SG 2.79Å
37P89.6Confident80.3Confident97 Ų9793.4 Ų93.463%0.6361%0.614SS**G310 helixtrans-60.1-29.5-173.2-26.134.9000114.5C35 A39 C40C35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-A39 PolarHBondContact O-N 2.94Å; P37-C40 WeakPolarHBondContact O-CB 3.06Å; P37-C40 PolarHBondContact O-N 2.81Å; P37-C40 PolarHBondContact O-SG 2.8Å
38A90.8Very high82.2Confident110 Ų11089.3 Ų89.391%0.90959%0.585SS**G310 helixtrans-69.1-20.9179.600000113.3E36 C40E36-A38 PolarHBondContact O-N 2.81Å; E36-A38 VanDerWaalsContact O-N 3.14Å; A38-C40 VanDerWaalsContact C-N 3.32Å
39A91Very high83.6Confident75 Ų7588.8 Ų88.862%0.6257%0.573SS**G310 helixtrans-88.4-0.3177.400000112.8E36 P37E36-A39 HydrophobicContact CB-CB 4.28Å; E36-A39 PolarHBondContact O-N 2.9Å; P37-A39 PolarHBondContact O-N 2.94Å
40C90.6Very high85.1Confident22 Ų2286.5 Ų86.515%0.14956%0.555CS.*SBendtrans-74.8142.2-175.8-66.80000112.6P37 A38 C60P37-C40 WeakPolarHBondContact O-CB 3.06Å; P37-C40 PolarHBondContact O-N 2.81Å; P37-C40 PolarHBondContact O-SG 2.8Å; A38-C40 VanDerWaalsContact C-N 3.32Å; C40-C60 WeakPolarHBondContact CA-SG 3.44Å; C40-C60 HydrophobicContact CB-CB 3.64Å; C40-C60 WeakPolarHBondContact CB-SG 3.45Å; C40-C60 WeakPolarHBondContact SG-CA 3.38Å; C40-C60 WeakPolarHBondContact SG-CB 3.1Å; C40-C60 CovalentContact SG-SG 2.05Å; C40-C60 PolarHBondContact SG-SG 2.83Å
41P88.6Confident86.3Confident91 Ų9180 Ų8059%0.59152%0.523SS*.PPolyproline II helixtrans-58.6142.2172.2-22.332.9000111.6
42P88.4Confident86.9Confident126 Ų12680.1 Ų80.182%0.81852%0.516SS*.PPolyproline II helixtrans-68144.1175.628.7-34.2000111
43L86.8Confident87.2Confident50 Ų5078.3 Ų78.326%0.26250%0.503SS..PPolyproline II helixtrans-71.4159.8171.3-68.5179.7000111.2E52 P61L43-E52 HydrophobicContact CD1-CG 3.79Å; L43-E52 VanDerWaalsContact CD1-OE1 3.27Å; L43-E52 WeakPolarHBondContact CD1-OE1 3.47Å; L43-P61 HydrophobicContact CD1-CB 4.16Å; L43-P61 HydrophobicContact CD2-CB 4.32Å; L43-P61 HydrophobicContact CG-CB 4.37Å; L43-P61 HydrophobicContact CG-CG 4.41Å
44P87.1Confident87.2Confident64 Ų6481.7 Ų81.742%0.41650%0.497SS..PPolyproline II helixtrans-54.2143.4173.5-24.334.3000111.7L46 G47 C63P44-L46 PolarHBondContact O-N 2.8Å; P44-L46 VanDerWaalsContact O-N 3.14Å; P44-G47 WeakPolarHBondContact O-CA 3.22Å; P44-G47 PolarHBondContact O-N 2.72Å; P44-C63 VanDerWaalsContact CD-SG 3.58Å
45P82.3Confident86.9Confident140 Ų14078 Ų7891%0.90947%0.47SS*.THydrogen-bonded Turntrans-63.8-22.5-176.924.3-33.9000113.6G47P45-G47 VanDerWaalsContact C-N 3.26Å
46L81Confident86.3Confident154 Ų15477.2 Ų77.281%0.80647%0.469SS*.THydrogen-bonded Turntrans-86.35.7174.1-64.4172.1000113P44P44-L46 PolarHBondContact O-N 2.8Å; P44-L46 VanDerWaalsContact O-N 3.14Å
47G82.8Confident85.9Confident32 Ų3274 Ų7433%0.3346%0.461SS..  trans69.1-172.9-172.200000113.1P44 P45P44-G47 WeakPolarHBondContact O-CA 3.22Å; P44-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact C-N 3.26Å
48C86.1Confident85.7Confident18 Ų1871.7 Ų71.712%0.12246%0.455CS..  trans-98.4113.8179.9-61.90000111.1L50 G51 E52 C63C48-L50 PolarHBondContact O-N 3.35Å; C48-L50 VanDerWaalsContact O-N 3.07Å; C48-G51 WeakPolarHBondContact CB-O 3.45Å; C48-G51 PolarHBondContact O-N 2.97Å; C48-E52 HydrophobicContact CB-CG 4.1Å; C48-C63 VanDerWaalsContact CA-SG 3.55Å; C48-C63 HydrophobicContact CB-CB 3.69Å; C48-C63 WeakPolarHBondContact CB-SG 3.36Å; C48-C63 WeakPolarHBondContact SG-CA 3.38Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.05Å; C48-C63 PolarHBondContact SG-SG 2.92Å
49L82.5Confident85.6Confident102 Ų10267.2 Ų67.253%0.53442%0.416SS..THydrogen-bonded Turntrans-60.2-21.5-176.9-63177.6000115
50L83.9Confident85.5Confident29 Ų2964.7 Ų64.715%0.15239%0.394CS..THydrogen-bonded Turntrans-118.618.1-179.6-59.6177.9000111.9C48 A135 Q138C48-L50 PolarHBondContact O-N 3.35Å; C48-L50 VanDerWaalsContact O-N 3.07Å; L50-A135 HydrophobicContact CD2-CB 3.44Å; L50-A135 VanDerWaalsContact CD2-CB 3.44Å; L50-Q138 PolarHBondContact O-OE1 2.8Å; L50-Q138 VanDerWaalsContact O-OE1 3.13Å
51G84.2Confident85.4Confident11 Ų1165.3 Ų65.311%0.11340%0.398CS..  trans82.4172.9-179.700000112.6C48 A64C48-G51 WeakPolarHBondContact CB-O 3.45Å; C48-G51 PolarHBondContact O-N 2.97Å; G51-A64 WeakPolarHBondContact O-CB 3.4Å; G51-A64 PolarHBondContact O-N 2.92Å
52E87.4Confident85.4Confident105 Ų10563.4 Ų63.449%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-96.1148.5-180-65.4173-156.300110.5L43 C48 M62L43-E52 HydrophobicContact CD1-CG 3.79Å; L43-E52 VanDerWaalsContact CD1-OE1 3.27Å; L43-E52 WeakPolarHBondContact CD1-OE1 3.47Å; C48-E52 HydrophobicContact CB-CG 4.1Å; E52-M62 WeakPolarHBondContact CA-O 3.28Å
53T87.7Confident85.4Confident32 Ų3259.6 Ų59.620%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-134.7179.6169-171.30000108.5P61 M62 A64T53-P61 WeakPolarHBondContact O-CA 3.11Å; T53-M62 HydrophobicContact CG2-CG 3.64Å; T53-M62 HydrophobicContact CG2-SD 4.4Å; T53-M62 PolarHBondContact N-O 3.43Å; T53-M62 PolarHBondContact O-N 3.1Å; T53-A64 HydrophobicContact CG2-CB 3.73Å
54R86.7Confident85.5Confident131 Ų13157.6 Ų57.649%0.49435%0.348SS..EExtended strand (participates in β ladder)trans-106.8156.2178.6-60.2-68.7175.7169.7-6.9110.6C59 C60 Y80R54-C59 PolarHBondContact NH1-O 2.9Å; R54-C60 WeakPolarHBondContact CA-O 3.38Å; R54-Y80 WeakPolarHBondContact O-CD2 3.34Å
55D82.7Confident85.6Confident44 Ų4458.2 Ų58.224%0.23534%0.342CS..  trans-61.2-177170.968.720.8000113.1C57 G58 C59 C60 M62D55-C57 PolarHBondContact O-N 3.42Å; D55-C57 VanDerWaalsContact O-N 3.13Å; D55-C57 VanDerWaalsContact OD1-C 3.3Å; D55-C57 WeakPolarHBondContact OD1-CA 3.34Å; D55-C57 PolarHBondContact OD1-N 2.93Å; D55-G58 PolarHBondContact O-N 3.03Å; D55-G58 VanDerWaalsContact O-N 3.08Å; D55-G58 PolarHBondContact OD1-N 2.89Å; D55-C59 PolarHBondContact OD1-N 3.35Å; D55-C60 HydrophobicContact CB-CB 4.47Å; D55-C60 PolarHBondContact N-O 2.93Å; D55-C60 VanDerWaalsContact OD2-CB 3.3Å; D55-C60 WeakPolarHBondContact OD2-CB 3.44Å; D55-C60 PolarHBondContact OD2-N 3.26Å; D55-M62 HydrophobicContact CB-SD 4.38Å
56A79.4Confident85.9Confident55 Ų5551.8 Ų51.846%0.45530%0.301SS..THydrogen-bonded Turntrans-59.5-24.9179.500000114.9Y80A56-Y80 WeakPolarHBondContact CA-OH 3.32Å; A56-Y80 WeakPolarHBondContact CB-OH 3.5Å; A56-Y80 PolarHBondContact N-OH 2.92Å
57C84.9Confident86.3Confident67 Ų6748.5 Ų48.545%0.45328%0.282SS..THydrogen-bonded Turntrans-98.6-0.3-177.8-67.60000112.7C32 D55 C59C32-C57 HydrophobicContact CB-CB 3.53Å; C32-C57 WeakPolarHBondContact CB-SG 3.34Å; C32-C57 WeakPolarHBondContact SG-CA 3.48Å; C32-C57 WeakPolarHBondContact SG-CB 3.39Å; C32-C57 CovalentContact SG-SG 2.04Å; C32-C57 PolarHBondContact SG-SG 2.8Å; D55-C57 PolarHBondContact O-N 3.42Å; D55-C57 VanDerWaalsContact O-N 3.13Å; D55-C57 VanDerWaalsContact OD1-C 3.3Å; D55-C57 WeakPolarHBondContact OD1-CA 3.34Å; D55-C57 PolarHBondContact OD1-N 2.93Å; C57-C59 PolarHBondContact O-N 3.16Å
58G85Confident86.5Confident48 Ų4849.6 Ų49.650%0.49529%0.293SS..SBendtrans74.510.2-176.600000113.8D55D55-G58 PolarHBondContact O-N 3.03Å; D55-G58 VanDerWaalsContact O-N 3.08Å; D55-G58 PolarHBondContact OD1-N 2.89Å
59C89.2Confident86.6Confident15 Ų1552.4 Ų52.410%0.10130%0.304CS..  trans-93.7-73.6-171.4-176.20000111.8C35 E36 R54 D55 C57C35-C59 WeakPolarHBondContact CA-SG 3.39Å; C35-C59 HydrophobicContact CB-CB 3.64Å; C35-C59 WeakPolarHBondContact CB-SG 3.26Å; C35-C59 WeakPolarHBondContact SG-CA 3.45Å; C35-C59 WeakPolarHBondContact SG-CB 3.27Å; C35-C59 CovalentContact SG-SG 2.04Å; C35-C59 PolarHBondContact SG-SG 3.07Å; E36-C59 PolarHBondContact N-SG 2.79Å; R54-C59 PolarHBondContact NH1-O 2.9Å; D55-C59 PolarHBondContact OD1-N 3.35Å; C57-C59 PolarHBondContact O-N 3.16Å
60C88.4Confident86.8Confident22 Ų2251 Ų5115%0.14930%0.301CS..SBendtrans-77.8138.9-170.5-66.50000112.5C40 R54 D55C40-C60 WeakPolarHBondContact CA-SG 3.44Å; C40-C60 HydrophobicContact CB-CB 3.64Å; C40-C60 WeakPolarHBondContact CB-SG 3.45Å; C40-C60 WeakPolarHBondContact SG-CA 3.38Å; C40-C60 WeakPolarHBondContact SG-CB 3.1Å; C40-C60 CovalentContact SG-SG 2.05Å; C40-C60 PolarHBondContact SG-SG 2.83Å; R54-C60 WeakPolarHBondContact CA-O 3.38Å; D55-C60 HydrophobicContact CB-CB 4.47Å; D55-C60 PolarHBondContact N-O 2.93Å; D55-C60 VanDerWaalsContact OD2-CB 3.3Å; D55-C60 WeakPolarHBondContact OD2-CB 3.44Å; D55-C60 PolarHBondContact OD2-N 3.26Å
61P89.1Confident86.9Confident36 Ų3649.7 Ų49.723%0.23430%0.295CS..EExtended strand (participates in β ladder)trans-69.8142.4172.232.3-34.6000109.9L43 T53L43-P61 HydrophobicContact CD1-CB 4.16Å; L43-P61 HydrophobicContact CD2-CB 4.32Å; L43-P61 HydrophobicContact CG-CB 4.37Å; L43-P61 HydrophobicContact CG-CG 4.41Å; T53-P61 WeakPolarHBondContact O-CA 3.11Å
62M87.7Confident86.7Confident51 Ų5150.8 Ų50.825%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-148.4154.9174.960.4179.6-64.200110.6E52 T53 D55 A64 R78 Y80E52-M62 WeakPolarHBondContact CA-O 3.28Å; T53-M62 HydrophobicContact CG2-CG 3.64Å; T53-M62 HydrophobicContact CG2-SD 4.4Å; T53-M62 PolarHBondContact N-O 3.43Å; T53-M62 PolarHBondContact O-N 3.1Å; D55-M62 HydrophobicContact CB-SD 4.38Å; M62-A64 PolarHBondContact O-N 2.99Å; M62-R78 WeakPolarHBondContact CE-O 3.44Å; M62-Y80 HydrophobicContact CE-CD2 4.23Å; M62-Y80 HydrophobicContact SD-CD2 3.61Å; M62-Y80 HydrophobicContact SD-CE2 4.05Å
63C88.7Confident85.6Confident46 Ų4647 Ų4731%0.31130%0.295SS..EExtended strand (participates in β ladder)trans-68.5132.6175.4-63.60000111.1P44 C48P44-C63 VanDerWaalsContact CD-SG 3.58Å; C48-C63 VanDerWaalsContact CA-SG 3.55Å; C48-C63 HydrophobicContact CB-CB 3.69Å; C48-C63 WeakPolarHBondContact CB-SG 3.36Å; C48-C63 WeakPolarHBondContact SG-CA 3.38Å; C48-C63 WeakPolarHBondContact SG-CB 3.32Å; C48-C63 CovalentContact SG-SG 2.05Å; C48-C63 PolarHBondContact SG-SG 2.92Å
64A89.8Confident83.9Confident8 Ų848.5 Ų48.57%0.06632%0.317CS..PPolyproline II helixtrans-78154.2178.900000111.6G51 T53 M62 A82G51-A64 WeakPolarHBondContact O-CB 3.4Å; G51-A64 PolarHBondContact O-N 2.92Å; T53-A64 HydrophobicContact CG2-CB 3.73Å; M62-A64 PolarHBondContact O-N 2.99Å; A64-A82 HydrophobicContact CB-CB 3.94Å
65R88.5Confident82.3Confident76 Ų7644.4 Ų44.429%0.28732%0.316SS..BIsolated β-bridgetrans-94140.9-177.2-69.2-164.8179.7-114.611.5113.1E69 P70 Y80 C81 A82R65-E69 WeakPolarHBondContact CA-OE2 3.27Å; R65-E69 HydrophobicContact CB-CB 4.03Å; R65-E69 WeakPolarHBondContact CB-OE2 3.41Å; R65-E69 WeakPolarHBondContact CG-OE2 3.17Å; R65-P70 WeakPolarHBondContact CD-O 3.36Å; R65-P70 PolarHBondContact NE-O 3.22Å; R65-P70 PolarHBondContact NH1-O 3.06Å; R65-Y80 PolarHBondContact N-O 2.61Å; R65-C81 WeakPolarHBondContact O-CA 3.29Å; R65-A82 PolarHBondContact O-N 3.17Å
66G88.6Confident80.5Confident5 Ų548.1 Ų48.15%0.05235%0.352CS..PPolyproline II helixtrans-81.2171-176.900000114.7G68 E69 C111G66-G68 PolarHBondContact O-N 2.72Å; G66-E69 PolarHBondContact N-OE2 2.82Å; G66-E69 VanDerWaalsContact O-CB 3.32Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 3.04Å; G66-C111 WeakPolarHBondContact O-CB 3.49Å
67E88.9Confident79.2Confident86 Ų8648.4 Ų48.440%0.40236%0.36SS..THydrogen-bonded Turntrans-58130.4173.6-176.9161.2-14100110.4E69 M85 C111E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.77Å; E67-M85 HydrophobicContact CB-CE 4.08Å; E67-C111 WeakPolarHBondContact CA-O 3.2Å
68G87.6Confident78.3Confident54 Ų5449.2 Ų49.256%0.55735%0.354SS*.THydrogen-bonded Turntrans86.6-11.9-175.700000115.1G66 V110 C111G66-G68 PolarHBondContact O-N 2.72Å; G68-V110 VanDerWaalsContact C-CG1 3.45Å; G68-V110 VanDerWaalsContact CA-CG1 3.44Å; G68-V110 WeakPolarHBondContact O-CG1 2.97Å; G68-C111 PolarHBondContact N-O 2.84Å
69E87.8Confident77.7Confident77 Ų7747.1 Ų47.136%0.3633%0.332SS..  trans-79.9149.3179.3-66.7-169.6163.100112.9R65 G66 E67 V110 C111R65-E69 WeakPolarHBondContact CA-OE2 3.27Å; R65-E69 HydrophobicContact CB-CB 4.03Å; R65-E69 WeakPolarHBondContact CB-OE2 3.41Å; R65-E69 WeakPolarHBondContact CG-OE2 3.17Å; G66-E69 PolarHBondContact N-OE2 2.82Å; G66-E69 VanDerWaalsContact O-CB 3.32Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 3.04Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.77Å; E69-V110 WeakPolarHBondContact O-CA 3.41Å; E69-C111 PolarHBondContact O-N 2.88Å
70P86.4Confident77.5Confident73 Ų7349.6 Ų49.647%0.47434%0.34SS..EExtended strand (participates in β ladder)trans-69.6135.3-179.528.2-34.5000111.4R65 G109R65-P70 WeakPolarHBondContact CD-O 3.36Å; R65-P70 PolarHBondContact NE-O 3.22Å; R65-P70 PolarHBondContact NH1-O 3.06Å; P70-G109 CarbonylContact C-O 3.58Å; P70-G109 WeakPolarHBondContact CA-O 3.4Å
71C86.9Confident77.5Confident2 Ų249.5 Ų49.51%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-137.1159.2-178.760.20000111.5G79 C81 C87 S108 G109 V110 C111C71-G79 WeakPolarHBondContact CA-O 3.32Å; C71-G79 WeakPolarHBondContact CB-O 3.36Å; C71-C81 VanDerWaalsContact CB-SG 3.59Å; C71-C81 VanDerWaalsContact SG-SG 3.62Å; C71-C87 HydrophobicContact CB-CB 3.88Å; C71-C87 WeakPolarHBondContact CB-SG 3.05Å; C71-C87 PolarHBondContact O-SG 3.22Å; C71-C87 WeakPolarHBondContact SG-CA 3.39Å; C71-C87 WeakPolarHBondContact SG-CB 3.46Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 3.27Å; C71-S108 CarbonylContact O-C 3.54Å; C71-G109 PolarHBondContact N-O 3.33Å; C71-G109 WeakPolarHBondContact O-CA 3.19Å; C71-G109 PolarHBondContact O-N 2.62Å; C71-V110 PolarHBondContact SG-N 3.04Å; C71-V110 VanDerWaalsContact SG-N 3.42Å; C71-C111 WeakPolarHBondContact CB-SG 3.21Å; C71-C111 PolarHBondContact SG-N 3.29Å; C71-C111 VanDerWaalsContact SG-N 3.44Å
72G78.5Confident77.5Confident34 Ų3448.2 Ų48.235%0.35133%0.331SS..  trans68.2165.2179.400000115.6G79 V107G72-G79 PolarHBondContact N-O 2.88Å; G72-V107 CarbonylContact C-O 3.54Å
73G65.8Low77.5Confident26 Ų2649 Ų4927%0.26834%0.341SS..  trans128156.2-174.700000112.4R78G73-R78 WeakPolarHBondContact O-CG 3.48Å; G73-R78 PolarHBondContact O-NE 2.99Å
74G51.8Low77.5Confident63 Ų6348.1 Ų48.165%0.64934%0.338SS*.SBendtrans-78.6133.5171.300000111.1
75G53.1Low77.6Confident45 Ų4548.7 Ų48.746%0.46434%0.34SS..SBendtrans114.2172.5179.200000115.9G77 R78G75-G77 PolarHBondContact O-N 2.98Å; G75-R78 VanDerWaalsContact O-CG 3.3Å; G75-R78 WeakPolarHBondContact O-CG 3.48Å; G75-R78 PolarHBondContact O-N 3.08Å
76A44.1Very low77.6Confident121 Ų12150.7 Ų50.7100%135%0.353SS*.THydrogen-bonded Turntrans-679.5-17400000116.1
77G52.3Low77.7Confident61 Ų6152.7 Ų52.763%0.62937%0.366SS*.THydrogen-bonded Turntrans-104.513.9174.100000114.2G75 G79G75-G77 PolarHBondContact O-N 2.98Å; G77-G79 PolarHBondContact O-N 2.83Å
78R65.7Low77.7Confident85 Ų8551.5 Ų51.532%0.32136%0.364SS..  trans-61.692.5-179.9-81.2172.4-166-145.112.4111D30 M62 G73 G75 Y80D30-R78 IonicContact OD1-NH2 3.8Å; M62-R78 WeakPolarHBondContact CE-O 3.44Å; G73-R78 WeakPolarHBondContact O-CG 3.48Å; G73-R78 PolarHBondContact O-NE 2.99Å; G75-R78 VanDerWaalsContact O-CG 3.3Å; G75-R78 WeakPolarHBondContact O-CG 3.48Å; G75-R78 PolarHBondContact O-N 3.08Å; R78-Y80 HydrophobicContact CB-CE2 4.13Å
79G73.1Confident77.6Confident3 Ų355.9 Ų55.93%0.03137%0.368CS..PPolyproline II helixtrans-72.2126.3166.800000112C71 G72 G77C71-G79 WeakPolarHBondContact CA-O 3.32Å; C71-G79 WeakPolarHBondContact CB-O 3.36Å; G72-G79 PolarHBondContact N-O 2.88Å; G77-G79 PolarHBondContact O-N 2.83Å
80Y84.8Confident76.6Confident68 Ų6856.6 Ų56.627%0.26738%0.381SS..PPolyproline II helixtrans-98135.8166.4-63.6-83.4000109.5R54 A56 M62 R65 R78R54-Y80 WeakPolarHBondContact O-CD2 3.34Å; A56-Y80 WeakPolarHBondContact CA-OH 3.32Å; A56-Y80 WeakPolarHBondContact CB-OH 3.5Å; A56-Y80 PolarHBondContact N-OH 2.92Å; M62-Y80 HydrophobicContact CE-CD2 4.23Å; M62-Y80 HydrophobicContact SD-CD2 3.61Å; M62-Y80 HydrophobicContact SD-CE2 4.05Å; R65-Y80 PolarHBondContact N-O 2.61Å; R78-Y80 HydrophobicContact CB-CE2 4.13Å
81C88.6Confident75.5Confident19 Ų1964.4 Ų64.413%0.12840%0.401CS..BIsolated β-bridgetrans-69152.5178.4-53.50000111.2R65 C71 M85 C111R65-C81 WeakPolarHBondContact O-CA 3.29Å; C71-C81 VanDerWaalsContact CB-SG 3.59Å; C71-C81 VanDerWaalsContact SG-SG 3.62Å; C81-M85 HydrophobicContact CB-CB 3.53Å; C81-M85 HydrophobicContact CB-SD 4.33Å; C81-C111 WeakPolarHBondContact CA-SG 3.4Å; C81-C111 HydrophobicContact CB-CB 3.69Å; C81-C111 WeakPolarHBondContact CB-SG 3.35Å; C81-C111 WeakPolarHBondContact SG-CA 3.41Å; C81-C111 WeakPolarHBondContact SG-CB 3.35Å; C81-C111 CovalentContact SG-SG 2.03Å; C81-C111 PolarHBondContact SG-SG 3.11Å
82A89.6Confident74.1Confident9 Ų973.7 Ų73.77%0.07444%0.441CS..PPolyproline II helixtrans-57153.9175.800000112.4A64 R65 G84 M85A64-A82 HydrophobicContact CB-CB 3.94Å; R65-A82 PolarHBondContact O-N 3.17Å; A82-G84 PolarHBondContact O-N 2.7Å; A82-M85 HydrophobicContact CB-CE 3.96Å; A82-M85 HydrophobicContact CB-SD 3.89Å; A82-M85 VanDerWaalsContact O-CB 3.3Å; A82-M85 WeakPolarHBondContact O-CB 3.46Å; A82-M85 PolarHBondContact O-N 2.87Å
83P87.6Confident72.9Confident69 Ų6982.7 Ų82.745%0.44847%0.465SS..THydrogen-bonded Turntrans-51.5125.6178.6-28.435.4000112.6R134P83-R134 VanDerWaalsContact C-NH1 3.34Å; P83-R134 PolarHBondContact O-NH1 3.44Å
84G88.1Confident72.3Confident26 Ų2693.3 Ų93.327%0.26850%0.497SS..THydrogen-bonded Turntrans93.24.9-176.700000114.8A82 K114 C131A82-G84 PolarHBondContact O-N 2.7Å; G84-K114 WeakPolarHBondContact O-CB 3.44Å; G84-K114 VanDerWaalsContact O-CG 3.23Å; G84-K114 WeakPolarHBondContact O-CG 3.38Å; G84-K114 PolarHBondContact O-N 2.89Å; G84-C131 PolarHBondContact O-SG 3.47Å
85M90.9Very high72.2Confident21 Ų21100.4 Ų100.410%0.10351%0.51CS..EExtended strand (participates in β ladder)trans-107.3166.1172-60.6-178.5-176.300111.9E67 C81 A82 C111 V112 K114 C131E67-M85 HydrophobicContact CB-CE 4.08Å; C81-M85 HydrophobicContact CB-CB 3.53Å; C81-M85 HydrophobicContact CB-SD 4.33Å; A82-M85 HydrophobicContact CB-CE 3.96Å; A82-M85 HydrophobicContact CB-SD 3.89Å; A82-M85 VanDerWaalsContact O-CB 3.3Å; A82-M85 WeakPolarHBondContact O-CB 3.46Å; A82-M85 PolarHBondContact O-N 2.87Å; M85-C111 HydrophobicContact SD-CB 4.1Å; M85-V112 CarbonylContact C-O 3.59Å; M85-V112 VanDerWaalsContact CA-O 3.27Å; M85-V112 WeakPolarHBondContact CA-O 3.03Å; M85-V112 WeakPolarHBondContact CB-O 3.36Å; M85-K114 WeakPolarHBondContact O-CE 3.29Å; M85-C131 HydrophobicContact CE-CB 3.54Å; M85-C131 HydrophobicContact CG-CB 4.29Å
86E90.4Very high71.9Confident117 Ų117101.3 Ų101.355%0.54752%0.519SS..EExtended strand (participates in β ladder)trans-130.4142.2173.2-173.3177.1178.300110.5V88 V112 K114E86-V88 PolarHBondContact O-N 2.85Å; E86-V112 PolarHBondContact N-O 2.8Å; E86-V112 PolarHBondContact O-N 2.8Å; E86-K114 HydrophobicContact CB-CG 4.42Å
87C89Confident71.8Confident48 Ų48105.7 Ų105.732%0.32452%0.515SS..EExtended strand (participates in β ladder)trans-85.5101.9176-172.40000110.9C71C71-C87 HydrophobicContact CB-CB 3.88Å; C71-C87 WeakPolarHBondContact CB-SG 3.05Å; C71-C87 PolarHBondContact O-SG 3.22Å; C71-C87 WeakPolarHBondContact SG-CA 3.39Å; C71-C87 WeakPolarHBondContact SG-CB 3.46Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 3.27Å
88V89.7Confident71.5Confident60 Ų60108.1 Ų108.136%0.36453%0.529SS..EExtended strand (participates in β ladder)trans-94.1129.6-177.7-59.30000111.6E86 G109 V110 V112E86-V88 PolarHBondContact O-N 2.85Å; V88-G109 CarbonylContact O-C 3.58Å; V88-G109 WeakPolarHBondContact O-CA 3.06Å; V88-V110 WeakPolarHBondContact CG2-O 3.38Å; V88-V110 PolarHBondContact N-O 3.45Å; V88-V110 PolarHBondContact O-N 2.96Å; V88-V112 HydrophobicContact CG1-CB 4.37Å; V88-V112 HydrophobicContact CG2-CB 4.18Å; V88-V112 HydrophobicContact CG2-CG2 3.45Å; V88-V112 VanDerWaalsContact CG2-CG2 3.45Å
89K84.6Confident70.2Confident147 Ų147107.7 Ų107.764%0.63955%0.551SS**EExtended strand (participates in β ladder)trans-85.9136.3179-64.6175.2177.5176.50110.8R91 V107K89-R91 PolarHBondContact O-N 2.05Å; K89-V107 HydrophobicContact CB-CG1 4.33Å; K89-V107 HydrophobicContact CD-CG1 3.83Å; K89-V107 HydrophobicContact CG-CG1 3.96Å
90S68Low69.2Low92 Ų92112.8 Ų112.864%0.64359%0.593SS**PPolyproline II helixtrans-67.9119.8173.7-176.70000111K92S90-K92 PolarHBondContact O-N 2.82Å
91R63.8Low67.1Low237 Ų237114 Ų11489%0.89462%0.617SS**G310 helixtrans-70.6-7.8179.7-67.9-173177.5-175.9-0.2113.9K89 R93K89-R91 PolarHBondContact O-N 2.05Å; R91-R93 PolarHBondContact O-N 2.83Å
92K56.3Low64.8Low197 Ų197117.9 Ų117.986%0.85765%0.65SS**G310 helixtrans-66.3-8.5-171.8-108.4-177.6179.5179.60115.4S90S90-K92 PolarHBondContact O-N 2.82Å
93R53.9Low62.5Low223 Ų223121.7 Ų121.784%0.84269%0.69SS**G310 helixtrans-101.313.4-177.2-110.9-173.7178.1-176.2-0.2116.2R91 K95R91-R93 PolarHBondContact O-N 2.83Å; R93-K95 VanDerWaalsContact C-N 3.35Å
94R53.7Low60.1Low249 Ų249121.8 Ų121.894%0.9470%0.704SS**SBendtrans-89.111.6171.3-83.3-163.7178.1-179.50.3115
95K49.5Very low58.2Low212 Ų212126.3 Ų126.392%0.92273%0.729SS**SBendtrans-12560.3172.6-150173.8-175.7-179.90110.5R93R93-K95 VanDerWaalsContact C-N 3.35Å
96G47.3Very low56.7Low63 Ų63127.1 Ų127.165%0.64974%0.742SS**SBendtrans-16084.5177.300000110.6
97K40.7Very low54.9Low214 Ų214125.8 Ų125.893%0.9374%0.742SS**  trans36.4131.1159-74.9-179.2172.7-178.60120.6
98A45.2Very low54.2Low112 Ų112127.1 Ų127.193%0.92675%0.752SS**  trans-46.2141.9163.700000113.4
99G40.3Very low54Low75 Ų75124.3 Ų124.377%0.77374%0.735SS**  trans168.572.7174.700000110.5A101G99-A101 PolarHBondContact O-N 2.83Å
100A51.3Low54.2Low111 Ų111120.3 Ų120.392%0.91772%0.723SS**  trans-72.5102.5169.300000109.1
101A41.3Very low55.2Low93 Ų93115.9 Ų115.977%0.76969%0.692SS**  trans-168.7131.5154.400000109.7G99G99-A101 PolarHBondContact O-N 2.83Å
102A38.8Very low56.6Low100 Ų100106.9 Ų106.983%0.82666%0.663SS**SBendtrans59.8101.6160.500000119.2G104A102-G104 PolarHBondContact O-N 2.88Å
103G42Very low58.3Low89 Ų8997.7 Ų97.792%0.91862%0.624SS**  trans56.244.4137.600000119.8
104G38.2Very low60.2Low71 Ų7193.9 Ų93.973%0.73261%0.613SS**  trans-85.3133.4175.500000113.9A102A102-G104 PolarHBondContact O-N 2.88Å
105P48.2Very low61.9Low121 Ų12183 Ų8379%0.78658%0.575SS**  trans-77.6141.1-17231-34.5000113.6
106G59.1Low63.7Low38 Ų3883.4 Ų83.439%0.39257%0.571SS.*  trans73.585.6141.100000117.1S108G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 3.04Å; G106-S108 VanDerWaalsContact O-N 3.11Å
107V52.9Low65.8Low90 Ų9085.1 Ų85.155%0.54556%0.559SS.*  trans-78.687.5151.9-173.50000107.6G72 K89G72-V107 CarbonylContact C-O 3.54Å; K89-V107 HydrophobicContact CB-CG1 4.33Å; K89-V107 HydrophobicContact CD-CG1 3.83Å; K89-V107 HydrophobicContact CG-CG1 3.96Å
108S73.1Confident68.4Low76 Ų7677.3 Ų77.353%0.53153%0.53SS..  trans-74.6117.6168.949.80000109.4C71 G106C71-S108 CarbonylContact O-C 3.54Å; G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 3.04Å; G106-S108 VanDerWaalsContact O-N 3.11Å
109G85.1Confident70.8Confident1 Ų172 Ų721%0.0149%0.486CS..EExtended strand (participates in β ladder)trans-85.9-176.4161.900000111.3P70 C71 V88P70-G109 CarbonylContact C-O 3.58Å; P70-G109 WeakPolarHBondContact CA-O 3.4Å; C71-G109 PolarHBondContact N-O 3.33Å; C71-G109 WeakPolarHBondContact O-CA 3.19Å; C71-G109 PolarHBondContact O-N 2.62Å; V88-G109 CarbonylContact O-C 3.58Å; V88-G109 WeakPolarHBondContact O-CA 3.06Å
110V88.9Confident73.6Confident62 Ų6268.9 Ų68.938%0.37645%0.452SS..EExtended strand (participates in β ladder)trans-125.4140173.8178.10000108.8G68 E69 C71 V88 V112G68-V110 VanDerWaalsContact C-CG1 3.45Å; G68-V110 VanDerWaalsContact CA-CG1 3.44Å; G68-V110 WeakPolarHBondContact O-CG1 2.97Å; E69-V110 WeakPolarHBondContact O-CA 3.41Å; C71-V110 PolarHBondContact SG-N 3.04Å; C71-V110 VanDerWaalsContact SG-N 3.42Å; V88-V110 WeakPolarHBondContact CG2-O 3.38Å; V88-V110 PolarHBondContact N-O 3.45Å; V88-V110 PolarHBondContact O-N 2.96Å; V110-V112 PolarHBondContact O-N 3.46Å
111C90.1Very high75.8Confident0 Ų063.7 Ų63.70%041%0.409CS..EExtended strand (participates in β ladder)trans-71.1124.7174.5-67.70000110.6G66 E67 G68 E69 C71 C81 M85G66-C111 WeakPolarHBondContact O-CB 3.49Å; E67-C111 WeakPolarHBondContact CA-O 3.2Å; G68-C111 PolarHBondContact N-O 2.84Å; E69-C111 PolarHBondContact O-N 2.88Å; C71-C111 WeakPolarHBondContact CB-SG 3.21Å; C71-C111 PolarHBondContact SG-N 3.29Å; C71-C111 VanDerWaalsContact SG-N 3.44Å; C81-C111 WeakPolarHBondContact CA-SG 3.4Å; C81-C111 HydrophobicContact CB-CB 3.69Å; C81-C111 WeakPolarHBondContact CB-SG 3.35Å; C81-C111 WeakPolarHBondContact SG-CA 3.41Å; C81-C111 WeakPolarHBondContact SG-CB 3.35Å; C81-C111 CovalentContact SG-SG 2.03Å; C81-C111 PolarHBondContact SG-SG 3.11Å; M85-C111 HydrophobicContact SD-CB 4.1Å
112V92.3Very high78.4Confident48 Ų4862.1 Ų62.129%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-125.5139177.7173.30000109.3M85 E86 V88 V110M85-V112 CarbonylContact C-O 3.59Å; M85-V112 VanDerWaalsContact CA-O 3.27Å; M85-V112 WeakPolarHBondContact CA-O 3.03Å; M85-V112 WeakPolarHBondContact CB-O 3.36Å; E86-V112 PolarHBondContact N-O 2.8Å; E86-V112 PolarHBondContact O-N 2.8Å; V88-V112 HydrophobicContact CG1-CB 4.37Å; V88-V112 HydrophobicContact CG2-CB 4.18Å; V88-V112 HydrophobicContact CG2-CG2 3.45Å; V88-V112 VanDerWaalsContact CG2-CG2 3.45Å; V110-V112 PolarHBondContact O-N 3.46Å
113C93.3Very high81.1Confident4 Ų460.6 Ų60.63%0.02737%0.371CS..EExtended strand (participates in β ladder)trans-66.1137.2178.5-166.50000111.8S115 C131C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 WeakPolarHBondContact CB-O 3.33Å; C113-S115 PolarHBondContact SG-N 3.35Å; C113-S115 PolarHBondContact SG-O 3.49Å; C113-C131 WeakPolarHBondContact CA-SG 3.39Å; C113-C131 HydrophobicContact CB-CB 3.73Å; C113-C131 WeakPolarHBondContact CB-SG 3.42Å; C113-C131 WeakPolarHBondContact SG-CB 3.46Å; C113-C131 PolarHBondContact SG-N 3.22Å; C113-C131 VanDerWaalsContact SG-N 3.38Å; C113-C131 CovalentContact SG-SG 2.03Å; C113-C131 PolarHBondContact SG-SG 3.11Å
114K91.9Very high83.7Confident142 Ų14259 Ų5962%0.61735%0.354SS*.SBendtrans-69.7-31.9172.3-67.3178.7177.8-177.80111.7G84 M85 E86G84-K114 WeakPolarHBondContact O-CB 3.44Å; G84-K114 VanDerWaalsContact O-CG 3.23Å; G84-K114 WeakPolarHBondContact O-CG 3.38Å; G84-K114 PolarHBondContact O-N 2.89Å; M85-K114 WeakPolarHBondContact O-CE 3.29Å; E86-K114 HydrophobicContact CB-CG 4.42Å
115S89.8Confident86.5Confident20 Ų2058.8 Ų58.814%0.1434%0.339CS..  trans-82.2120.4170.7-171.20000109.8C113 Y117C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 WeakPolarHBondContact CB-O 3.33Å; C113-S115 PolarHBondContact SG-N 3.35Å; C113-S115 PolarHBondContact SG-O 3.49Å; S115-Y117 WeakPolarHBondContact OG-CE1 3.39Å; S115-Y117 PolarHBondContact OG-O 2.85Å
116R87.3Confident88.8Confident222 Ų22255.8 Ų55.884%0.83832%0.318SS*.  trans-105.59177.6-58.4-174.1-178.1-1651.3113.2
117Y91.9Very high90.6Very high98 Ų9855.4 Ų55.438%0.38431%0.305SS..SBendtrans-119.8150-178.557.3-94.5000110.4S115 V119 P128 K153S115-Y117 WeakPolarHBondContact OG-CE1 3.39Å; S115-Y117 PolarHBondContact OG-O 2.85Å; Y117-V119 HydrophobicContact CD2-CG1 4.13Å; Y117-V119 HydrophobicContact CE2-CG1 3.86Å; Y117-P128 CarbonylContact C-O 3.47Å; Y117-K153 HydrophobicContact CD2-CB 4.35Å; Y117-K153 HydrophobicContact CE2-CB 3.85Å; Y117-K153 HydrophobicContact CE2-CD 4.02Å; Y117-K153 HydrophobicContact CE2-CG 3.78Å
118P95.4Very high92.6Very high50 Ų5054.9 Ų54.933%0.32530%0.303SS..  trans-60.4154.8175-2333.5000112.6T126 Y127 G154 T155P118-T126 HydrophobicContact CB-CG2 4.11Å; P118-Y127 CarbonylContact C-O 3.58Å; P118-Y127 WeakPolarHBondContact CA-O 3.31Å; P118-G154 CarbonylContact C-O 3.6Å; P118-G154 CarbonylContact O-C 3.49Å; P118-G154 WeakPolarHBondContact O-CA 3.38Å; P118-G154 PolarHBondContact O-N 3.45Å; P118-T155 HydrophobicContact CB-CG2 3.87Å; P118-T155 HydrophobicContact CG-CG2 4.24Å
119V96.2Very high93.6Very high0 Ų051.5 Ų51.50%028%0.28CS..EExtended strand (participates in β ladder)trans-135.7147177-61.30000110.7Y117 Y127 L133 Q150 G154Y117-V119 HydrophobicContact CD2-CG1 4.13Å; Y117-V119 HydrophobicContact CE2-CG1 3.86Å; V119-Y127 PolarHBondContact N-O 3.41Å; V119-Y127 PolarHBondContact O-N 3.38Å; V119-L133 HydrophobicContact CB-CD1 4.43Å; V119-L133 HydrophobicContact CG2-CB 3.85Å; V119-L133 HydrophobicContact CG2-CD1 3.56Å; V119-L133 HydrophobicContact CG2-CG 4.37Å; V119-Q150 HydrophobicContact CB-CG 4.14Å; V119-Q150 VanDerWaalsContact CG1-NE2 3.28Å; V119-G154 CarbonylContact C-O 3.51Å; V119-G154 WeakPolarHBondContact CA-O 3.23Å; V119-G154 PolarHBondContact N-O 2.9Å
120C97.4Very high94Very high11 Ų1151.9 Ų51.97%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-90.4125.5173.9-174.40000110.2V151 S152 G154 C156C120-V151 PolarHBondContact O-N 2.95Å; C120-S152 VanDerWaalsContact CB-OG 3.25Å; C120-S152 WeakPolarHBondContact CB-OG 3.22Å; C120-S152 PolarHBondContact N-O 3.48Å; C120-G154 PolarHBondContact N-O 3.38Å; C120-C156 WeakPolarHBondContact CA-SG 3.31Å; C120-C156 HydrophobicContact CB-CB 3.96Å; C120-C156 WeakPolarHBondContact CB-SG 3.2Å; C120-C156 WeakPolarHBondContact SG-CA 3.18Å; C120-C156 WeakPolarHBondContact SG-CB 3.41Å; C120-C156 CovalentContact SG-SG 2.05Å; C120-C156 PolarHBondContact SG-SG 3.04Å
121G97.6Very high94.2Very high1 Ų149.3 Ų49.31%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-83.1159.1173.300000112.8D123 G124 T125 T149G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 2.79Å; G121-D123 VanDerWaalsContact O-N 3.16Å; G121-G124 PolarHBondContact O-N 2.94Å; G121-T125 PolarHBondContact N-O 2.87Å; G121-T149 CarbonylContact C-O 3.44Å; G121-T149 WeakPolarHBondContact CA-O 3.23Å
122S97.4Very high94.3Very high61 Ų6153.2 Ų53.243%0.42729%0.287SS..THydrogen-bonded Turntrans-66.9-7.7173.5590000113.9G124 T149S122-G124 VanDerWaalsContact C-N 3.33Å; S122-T149 WeakPolarHBondContact CB-OG1 3.4Å; S122-T149 PolarHBondContact N-O 3.02Å; S122-T149 PolarHBondContact OG-N 3.36Å; S122-T149 PolarHBondContact OG-OG1 3.21Å
123D95.9Very high94.4Very high67 Ų6751.4 Ų51.436%0.35828%0.275SS..THydrogen-bonded Turntrans-89.24.4171.760.1-6.4000112.9G121 T125 Y127 I148G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 2.79Å; G121-D123 VanDerWaalsContact O-N 3.16Å; D123-T125 PolarHBondContact O-N 2.82Å; D123-T125 WeakPolarHBondContact OD1-CB 3.46Å; D123-T125 PolarHBondContact OD1-N 2.91Å; D123-Y127 PolarHBondContact OD2-OH 2.91Å; D123-I148 HydrophobicContact CB-CG1 4.45Å; D123-I148 HydrophobicContact CB-CG2 4.47Å; D123-I148 WeakPolarHBondContact OD2-CD1 3.47Å
124G95.5Very high94.4Very high55 Ų5557.1 Ų57.157%0.56730%0.296SS*.SBendtrans72.37.2-17600000113.8G121 S122 C156G121-G124 PolarHBondContact O-N 2.94Å; S122-G124 VanDerWaalsContact C-N 3.33Å; G124-C156 PolarHBondContact O-SG 2.79Å; G124-C156 VanDerWaalsContact O-SG 3.37Å
125T97.1Very high94.4Very high68 Ų6851 Ų5142%0.41727%0.272SS..PPolyproline II helixtrans-93.7134.1179.7-620000110.5G121 D123 Y127 C156G121-T125 PolarHBondContact N-O 2.87Å; D123-T125 PolarHBondContact O-N 2.82Å; D123-T125 WeakPolarHBondContact OD1-CB 3.46Å; D123-T125 PolarHBondContact OD1-N 2.91Å; T125-Y127 HydrophobicContact CG2-CD2 4.5Å; T125-Y127 HydrophobicContact CG2-CE2 4.05Å; T125-Y127 VanDerWaalsContact O-CD2 3.28Å; T125-Y127 WeakPolarHBondContact O-CD2 3.04Å; T125-Y127 WeakPolarHBondContact O-CE2 3.42Å; T125-C156 VanDerWaalsContact C-SG 3.53Å; T125-C156 PolarHBondContact O-SG 3.35Å
126T97Very high94.5Very high57 Ų5750.9 Ų50.935%0.3527%0.272SS..EExtended strand (participates in β ladder)trans-81.4120.1170.9-670000109.7P118 T155 C156P118-T126 HydrophobicContact CB-CG2 4.11Å; T126-T155 HydrophobicContact CG2-CG2 3.52Å; T126-C156 PolarHBondContact OG1-N 2.03Å
127Y96.1Very high94.9Very high30 Ų3040.9 Ų40.912%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-97.7135.1174.7-68.3-87.8000110.5P118 V119 D123 T125 S129 Q132 L133 A136 I148P118-Y127 CarbonylContact C-O 3.58Å; P118-Y127 WeakPolarHBondContact CA-O 3.31Å; V119-Y127 PolarHBondContact N-O 3.41Å; V119-Y127 PolarHBondContact O-N 3.38Å; D123-Y127 PolarHBondContact OD2-OH 2.91Å; T125-Y127 HydrophobicContact CG2-CD2 4.5Å; T125-Y127 HydrophobicContact CG2-CE2 4.05Å; T125-Y127 VanDerWaalsContact O-CD2 3.28Å; T125-Y127 WeakPolarHBondContact O-CD2 3.04Å; T125-Y127 WeakPolarHBondContact O-CE2 3.42Å; Y127-S129 PolarHBondContact O-N 3.24Å; Y127-S129 VanDerWaalsContact O-N 3.13Å; Y127-Q132 HydrophobicContact CD1-CB 4.34Å; Y127-L133 HydrophobicContact CD1-CB 4.2Å; Y127-L133 HydrophobicContact CD2-CB 3.84Å; Y127-L133 HydrophobicContact CD2-CD1 3.91Å; Y127-L133 HydrophobicContact CD2-CG 3.9Å; Y127-L133 HydrophobicContact CE2-CB 4.48Å; Y127-L133 HydrophobicContact CE2-CD1 4.45Å; Y127-L133 HydrophobicContact CE2-CG 4.23Å; Y127-L133 HydrophobicContact CG-CB 3.68Å; Y127-L133 HydrophobicContact CG-CG 4.27Å; Y127-A136 HydrophobicContact CD1-CB 4.37Å; Y127-A136 HydrophobicContact CE1-CB 3.41Å; Y127-A136 VanDerWaalsContact CE1-CB 3.41Å; Y127-I148 HydrophobicContact CE2-CG2 4.14Å
128P94.3Very high94.8Very high79 Ų7938.6 Ų38.651%0.51323%0.23SC..SBendtrans-58-27178.6-27.534.6000114.6Y117 Q132Y117-P128 CarbonylContact C-O 3.47Å; P128-Q132 VanDerWaalsContact CD-OE1 3.27Å; P128-Q132 VanDerWaalsContact CG-OE1 3.3Å
129S93.9Very high94.6Very high6 Ų642 Ų424%0.04224%0.236CC..SBendtrans-150.3159.7175.678.60000111.3Y127 C131 Q132 L133Y127-S129 PolarHBondContact O-N 3.24Å; Y127-S129 VanDerWaalsContact O-N 3.13Å; S129-C131 PolarHBondContact O-N 3.34Å; S129-C131 PolarHBondContact OG-N 3.48Å; S129-Q132 PolarHBondContact O-N 3.01Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S129-Q132 PolarHBondContact OG-N 3.23Å; S129-L133 PolarHBondContact O-N 2.89Å
130G93.9Very high94.4Very high9 Ų942.2 Ų42.29%0.09324%0.238CC..Hα-helixtrans-61.1-22.9173.200000113.6R134G130-R134 VanDerWaalsContact O-CG 3.3Å; G130-R134 WeakPolarHBondContact O-CG 3.34Å; G130-R134 PolarHBondContact O-N 3.47Å
131C92.8Very high94Very high7 Ų746.5 Ų46.55%0.04726%0.257CS..Hα-helixtrans-76.2-36.3176.6-57.70000112G84 M85 C113 S129 R134 A135G84-C131 PolarHBondContact O-SG 3.47Å; M85-C131 HydrophobicContact CE-CB 3.54Å; M85-C131 HydrophobicContact CG-CB 4.29Å; C113-C131 WeakPolarHBondContact CA-SG 3.39Å; C113-C131 HydrophobicContact CB-CB 3.73Å; C113-C131 WeakPolarHBondContact CB-SG 3.42Å; C113-C131 WeakPolarHBondContact SG-CB 3.46Å; C113-C131 PolarHBondContact SG-N 3.22Å; C113-C131 VanDerWaalsContact SG-N 3.38Å; C113-C131 CovalentContact SG-SG 2.03Å; C113-C131 PolarHBondContact SG-SG 3.11Å; S129-C131 PolarHBondContact O-N 3.34Å; S129-C131 PolarHBondContact OG-N 3.48Å; C131-R134 PolarHBondContact O-N 2.88Å; C131-A135 WeakPolarHBondContact O-CB 3.3Å; C131-A135 PolarHBondContact O-N 3.02Å
132Q92.8Very high93.6Very high83 Ų8350 Ų5039%0.38828%0.281SS..Hα-helixtrans-68.4-37.9174.4-68.2-174.630.100111.7Y127 P128 S129 R134 A135 A136Y127-Q132 HydrophobicContact CD1-CB 4.34Å; P128-Q132 VanDerWaalsContact CD-OE1 3.27Å; P128-Q132 VanDerWaalsContact CG-OE1 3.3Å; S129-Q132 PolarHBondContact O-N 3.01Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S129-Q132 PolarHBondContact OG-N 3.23Å; Q132-R134 PolarHBondContact O-N 2.71Å; Q132-A135 PolarHBondContact O-N 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 2.94Å; Q132-A136 PolarHBondContact O-N 3.42Å
133L94.9Very high93.2Very high9 Ų955.8 Ų55.85%0.04729%0.294CS..Hα-helixtrans-58.4-47.9171.3-177157.1000111.2V119 Y127 S129 A135 A136 S137 I148 Q150V119-L133 HydrophobicContact CB-CD1 4.43Å; V119-L133 HydrophobicContact CG2-CB 3.85Å; V119-L133 HydrophobicContact CG2-CD1 3.56Å; V119-L133 HydrophobicContact CG2-CG 4.37Å; Y127-L133 HydrophobicContact CD1-CB 4.2Å; Y127-L133 HydrophobicContact CD2-CB 3.84Å; Y127-L133 HydrophobicContact CD2-CD1 3.91Å; Y127-L133 HydrophobicContact CD2-CG 3.9Å; Y127-L133 HydrophobicContact CE2-CB 4.48Å; Y127-L133 HydrophobicContact CE2-CD1 4.45Å; Y127-L133 HydrophobicContact CE2-CG 4.23Å; Y127-L133 HydrophobicContact CG-CB 3.68Å; Y127-L133 HydrophobicContact CG-CG 4.27Å; S129-L133 PolarHBondContact O-N 2.89Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-A136 PolarHBondContact O-N 2.91Å; L133-S137 PolarHBondContact O-N 3.36Å; L133-I148 HydrophobicContact CD2-CG2 4.42Å; L133-I148 WeakPolarHBondContact CD2-O 3.27Å; L133-I148 HydrophobicContact CG-CG2 4.17Å; L133-Q150 HydrophobicContact CD1-CB 4.02Å
134R92.9Very high93Very high124 Ų12456 Ų5647%0.46831%0.312SS..Hα-helixtrans-61.8-43178.8-72.8172-172.5-161.5-4112.4P83 G130 C131 Q132 A136 S137 Q138P83-R134 VanDerWaalsContact C-NH1 3.34Å; P83-R134 PolarHBondContact O-NH1 3.44Å; G130-R134 VanDerWaalsContact O-CG 3.3Å; G130-R134 WeakPolarHBondContact O-CG 3.34Å; G130-R134 PolarHBondContact O-N 3.47Å; C131-R134 PolarHBondContact O-N 2.88Å; Q132-R134 PolarHBondContact O-N 2.71Å; R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 3.39Å; R134-S137 WeakPolarHBondContact O-CB 3.46Å; R134-S137 PolarHBondContact O-N 3.34Å; R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 2.03Å
135A91.4Very high92.9Very high13 Ų1358.8 Ų58.811%0.10731%0.31CS..Hα-helixtrans-61-40.6175.300000111.8L50 C131 Q132 L133 R139L50-A135 HydrophobicContact CD2-CB 3.44Å; L50-A135 VanDerWaalsContact CD2-CB 3.44Å; C131-A135 WeakPolarHBondContact O-CB 3.3Å; C131-A135 PolarHBondContact O-N 3.02Å; Q132-A135 PolarHBondContact O-N 3.3Å; L133-A135 PolarHBondContact O-N 3.44Å; A135-R139 VanDerWaalsContact O-CG 3.29Å; A135-R139 WeakPolarHBondContact O-CG 2.85Å; A135-R139 PolarHBondContact O-N 2.9Å
136A93.6Very high92.9Very high18 Ų1864.8 Ų64.815%0.14933%0.331CS..Hα-helixtrans-66.1-43.7174.900000111.9Y127 Q132 L133 R134 Q138 R139 A140 I148Y127-A136 HydrophobicContact CD1-CB 4.37Å; Y127-A136 HydrophobicContact CE1-CB 3.41Å; Y127-A136 VanDerWaalsContact CE1-CB 3.41Å; Q132-A136 WeakPolarHBondContact O-CB 2.94Å; Q132-A136 PolarHBondContact O-N 3.42Å; L133-A136 PolarHBondContact O-N 2.91Å; R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 3.39Å; A136-Q138 PolarHBondContact O-N 2.87Å; A136-R139 PolarHBondContact O-N 2.85Å; A136-A140 PolarHBondContact O-N 3.27Å; A136-I148 HydrophobicContact CB-CD1 4.06Å
137S94.3Very high92.8Very high13 Ų1363.9 Ų63.99%0.09133%0.329CS..Hα-helixtrans-56.2-48.6175.9-175.70000112L133 R134 R139 A140 E141 A147 I148L133-S137 PolarHBondContact O-N 3.36Å; R134-S137 WeakPolarHBondContact O-CB 3.46Å; R134-S137 PolarHBondContact O-N 3.34Å; S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.22Å; S137-A140 WeakPolarHBondContact O-CB 3.46Å; S137-A140 PolarHBondContact O-N 2.92Å; S137-E141 WeakPolarHBondContact O-CG 3.41Å; S137-E141 PolarHBondContact O-N 3.06Å; S137-A147 WeakPolarHBondContact OG-CA 3.33Å; S137-A147 WeakPolarHBondContact OG-CB 3.41Å; S137-I148 WeakPolarHBondContact CB-O 3.23Å; S137-I148 PolarHBondContact OG-N 3.18Å; S137-I148 PolarHBondContact OG-O 2.84Å
138Q91.1Very high92.8Very high50 Ų5063.6 Ų63.623%0.23433%0.329CS..Hα-helixtrans-65.3-35.6-179.2-71.7164.9-8.900112.2L50 R134 A136 E141 S142L50-Q138 PolarHBondContact O-OE1 2.8Å; L50-Q138 VanDerWaalsContact O-OE1 3.13Å; R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 2.03Å; A136-Q138 PolarHBondContact O-N 2.87Å; Q138-E141 PolarHBondContact O-N 3.49Å; Q138-S142 WeakPolarHBondContact O-CB 3.32Å; Q138-S142 PolarHBondContact O-N 3.39Å
139R89.4Confident92.9Very high120 Ų12063.7 Ų63.745%0.45333%0.329SS..Hα-helixtrans-65.7-42.4173.6-71.2171.7-169168.91.8111.4A135 A136 S137 S142 R143A135-R139 VanDerWaalsContact O-CG 3.29Å; A135-R139 WeakPolarHBondContact O-CG 2.85Å; A135-R139 PolarHBondContact O-N 2.9Å; A136-R139 PolarHBondContact O-N 2.85Å; S137-R139 VanDerWaalsContact C-N 3.31Å; S137-R139 PolarHBondContact O-N 3.22Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 3Å; R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.48Å
140A92.4Very high93.1Very high6 Ų667.5 Ų67.55%0.0535%0.346CS..Hα-helixtrans-59.6-49.3174.800000110.5A136 S137 S142 R143 G144 E145 I148A136-A140 PolarHBondContact O-N 3.27Å; S137-A140 WeakPolarHBondContact O-CB 3.46Å; S137-A140 PolarHBondContact O-N 2.92Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 2.84Å; A140-R143 CarbonylContact O-C 3.59Å; A140-R143 WeakPolarHBondContact O-CA 3.16Å; A140-R143 WeakPolarHBondContact O-CB 2.8Å; A140-R143 PolarHBondContact O-N 2.94Å; A140-G144 PolarHBondContact O-N 2.88Å; A140-E145 HydrophobicContact CB-CB 4.01Å; A140-E145 WeakPolarHBondContact O-CB 3.13Å; A140-E145 PolarHBondContact O-N 3.38Å; A140-I148 HydrophobicContact CB-CD1 4.29Å
141E90.4Very high93.2Very high101 Ų10171.7 Ų71.747%0.47237%0.37SS..Hα-helixtrans-59.8-40.9177.4-70.5174.6114.800112.3S137 Q138 R143 G144 A147S137-E141 WeakPolarHBondContact O-CG 3.41Å; S137-E141 PolarHBondContact O-N 3.06Å; Q138-E141 PolarHBondContact O-N 3.49Å; E141-R143 PolarHBondContact O-N 3.13Å; E141-R143 VanDerWaalsContact O-N 3.15Å; E141-G144 PolarHBondContact O-N 2.94Å; E141-A147 HydrophobicContact CG-CB 3.79Å; E141-A147 WeakPolarHBondContact OE1-CB 3.37Å
142S87.4Confident93.2Very high73 Ų7373.6 Ų73.651%0.5138%0.383SS..Hα-helixtrans-62.5-21.4176.575.30000113.8Q138 R139 A140Q138-S142 WeakPolarHBondContact O-CB 3.32Å; Q138-S142 PolarHBondContact O-N 3.39Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 3Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 2.84Å
143R90.6Very high93.2Very high183 Ų18377.1 Ų77.169%0.69140%0.397SS*.THydrogen-bonded Turntrans-94.12.4175.1-64.6172.9-175.8174.6-0.4112.8R139 A140 E141 E145R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.48Å; A140-R143 CarbonylContact O-C 3.59Å; A140-R143 WeakPolarHBondContact O-CA 3.16Å; A140-R143 WeakPolarHBondContact O-CB 2.8Å; A140-R143 PolarHBondContact O-N 2.94Å; E141-R143 PolarHBondContact O-N 3.13Å; E141-R143 VanDerWaalsContact O-N 3.15Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 HydrophobicContact CB-CG 4.24Å
144G91.1Very high93.2Very high73 Ų7377.8 Ų77.875%0.75341%0.406SS*.THydrogen-bonded Turntrans7614.2-174.100000114.1A140 E141A140-G144 PolarHBondContact O-N 2.88Å; E141-G144 PolarHBondContact O-N 2.94Å
145E94.3Very high93.3Very high112 Ų11274.1 Ų74.152%0.52340%0.397SS..PPolyproline II helixtrans-85.1167.2174.1-59.5169-175.300110.6A140 R143A140-E145 HydrophobicContact CB-CB 4.01Å; A140-E145 WeakPolarHBondContact O-CB 3.13Å; A140-E145 PolarHBondContact O-N 3.38Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 HydrophobicContact CB-CG 4.24Å
146K95.5Very high93.5Very high194 Ų19474 Ų7484%0.84340%0.396SS*.PPolyproline II helixtrans-69.4140.2178-67.9-179.5-179.6176.90110.9
147A95.1Very high93.7Very high39 Ų3978.4 Ų78.432%0.32241%0.413SS..PPolyproline II helixtrans-57.2137172.300000111.6S137 E141S137-A147 WeakPolarHBondContact OG-CA 3.33Å; S137-A147 WeakPolarHBondContact OG-CB 3.41Å; E141-A147 HydrophobicContact CG-CB 3.79Å; E141-A147 WeakPolarHBondContact OE1-CB 3.37Å
148I97.4Very high93.7Very high23 Ų2381.6 Ų81.612%0.11843%0.427CS..PPolyproline II helixtrans-88.5117.4177.1-59.1160.7000107.6D123 Y127 L133 A136 S137 A140D123-I148 HydrophobicContact CB-CG1 4.45Å; D123-I148 HydrophobicContact CB-CG2 4.47Å; D123-I148 WeakPolarHBondContact OD2-CD1 3.47Å; Y127-I148 HydrophobicContact CE2-CG2 4.14Å; L133-I148 HydrophobicContact CD2-CG2 4.42Å; L133-I148 WeakPolarHBondContact CD2-O 3.27Å; L133-I148 HydrophobicContact CG-CG2 4.17Å; A136-I148 HydrophobicContact CB-CD1 4.06Å; S137-I148 WeakPolarHBondContact CB-O 3.23Å; S137-I148 PolarHBondContact OG-N 3.18Å; S137-I148 PolarHBondContact OG-O 2.84Å; A140-I148 HydrophobicContact CB-CD1 4.29Å
149T96.6Very high94.1Very high82 Ų8280.5 Ų80.550%0.50343%0.429SS..PPolyproline II helixtrans-102.4154179.759.80000110.6G121 S122 V151G121-T149 CarbonylContact C-O 3.44Å; G121-T149 WeakPolarHBondContact CA-O 3.23Å; S122-T149 WeakPolarHBondContact CB-OG1 3.4Å; S122-T149 PolarHBondContact N-O 3.02Å; S122-T149 PolarHBondContact OG-N 3.36Å; S122-T149 PolarHBondContact OG-OG1 3.21Å; T149-V151 PolarHBondContact O-N 2.99Å
150Q96.3Very high94.5Very high85 Ų8575.4 Ų75.440%0.39741%0.412SS..EExtended strand (participates in β ladder)trans-76.9118.4174.2-179.9176-400109.6V119 L133 S152V119-Q150 HydrophobicContact CB-CG 4.14Å; V119-Q150 VanDerWaalsContact CG1-NE2 3.28Å; L133-Q150 HydrophobicContact CD1-CB 4.02Å; Q150-S152 WeakPolarHBondContact CG-O 3.21Å; Q150-S152 PolarHBondContact NE2-O 2.03Å
151V96.6Very high94.7Very high98 Ų9878 Ų7859%0.59443%0.429SS*.EExtended strand (participates in β ladder)trans-83.7-45.3176.1174.20000110.8C120 T149C120-V151 PolarHBondContact O-N 2.95Å; T149-V151 PolarHBondContact O-N 2.99Å
152S94.1Very high95.1Very high46 Ų4675.1 Ų75.132%0.32242%0.417SS..EExtended strand (participates in β ladder)trans-145.4164.7-178.170.50000112.2C120 Q150C120-S152 VanDerWaalsContact CB-OG 3.25Å; C120-S152 WeakPolarHBondContact CB-OG 3.22Å; C120-S152 PolarHBondContact N-O 3.48Å; Q150-S152 WeakPolarHBondContact CG-O 3.21Å; Q150-S152 PolarHBondContact NE2-O 2.03Å
153K92.9Very high95.5Very high157 Ų15775.3 Ų75.368%0.68341%0.414SS*.EExtended strand (participates in β ladder)trans-86142.8166.1-62.4-176.7-179177.30108.2Y117Y117-K153 HydrophobicContact CD2-CB 4.35Å; Y117-K153 HydrophobicContact CE2-CB 3.85Å; Y117-K153 HydrophobicContact CE2-CD 4.02Å; Y117-K153 HydrophobicContact CE2-CG 3.78Å
154G93.4Very high95.8Very high24 Ų2468.6 Ų68.625%0.24739%0.394CS..SBendtrans92.3-175.5-173.100000111.7P118 V119 C120P118-G154 CarbonylContact C-O 3.6Å; P118-G154 CarbonylContact O-C 3.49Å; P118-G154 WeakPolarHBondContact O-CA 3.38Å; P118-G154 PolarHBondContact O-N 3.45Å; V119-G154 CarbonylContact C-O 3.51Å; V119-G154 WeakPolarHBondContact CA-O 3.23Å; V119-G154 PolarHBondContact N-O 2.9Å; C120-G154 PolarHBondContact N-O 3.38Å
155T95.1Very high96.1Very high46 Ų4668.1 Ų68.128%0.28238%0.377SS..SBendtrans-72.6161.9177.555.60000110.7P118 T126 I186P118-T155 HydrophobicContact CB-CG2 3.87Å; P118-T155 HydrophobicContact CG-CG2 4.24Å; T126-T155 HydrophobicContact CG2-CG2 3.52Å; T155-I186 WeakPolarHBondContact OG1-CD1 3.45Å
156C96.6Very high96.3Very high11 Ų1163.1 Ų63.17%0.07436%0.355CS..PPolyproline II helixtrans-64.2156.9177-68.10000112.1C120 G124 T125 T126C120-C156 WeakPolarHBondContact CA-SG 3.31Å; C120-C156 HydrophobicContact CB-CB 3.96Å; C120-C156 WeakPolarHBondContact CB-SG 3.2Å; C120-C156 WeakPolarHBondContact SG-CA 3.18Å; C120-C156 WeakPolarHBondContact SG-CB 3.41Å; C120-C156 CovalentContact SG-SG 2.05Å; C120-C156 PolarHBondContact SG-SG 3.04Å; G124-C156 PolarHBondContact O-SG 2.79Å; G124-C156 VanDerWaalsContact O-SG 3.37Å; T125-C156 VanDerWaalsContact C-SG 3.53Å; T125-C156 PolarHBondContact O-SG 3.35Å; T126-C156 PolarHBondContact OG1-N 2.03Å
157E96.3Very high96.4Very high111 Ų11161 Ų6152%0.51935%0.345SS..PPolyproline II helixtrans-61.7140.6173.4-61.3-169.6179.200110.2I186 Q254E157-I186 CarbonylContact C-O 3.57Å; E157-I186 VanDerWaalsContact CA-O 3.26Å; E157-I186 WeakPolarHBondContact CA-O 3.37Å; E157-I186 WeakPolarHBondContact CB-O 3.26Å; E157-I186 HydrophobicContact CG-CG2 4.43Å; E157-Q254 HydrophobicContact CB-CG 3.7Å; E157-Q254 PolarHBondContact OE2-NE2 2.94Å
158Q96.3Very high96.5Very high79 Ų7963.8 Ų63.837%0.36936%0.355SS..EExtended strand (participates in β ladder)trans-149.3146.1-177.755177.175.600110.5I186 N252Q158-I186 HydrophobicContact CG-CB 3.95Å; Q158-I186 HydrophobicContact CG-CD1 4.27Å; Q158-I186 HydrophobicContact CG-CG1 3.91Å; Q158-I186 PolarHBondContact N-O 3.42Å; Q158-I186 PolarHBondContact O-N 3.12Å; Q158-I186 VanDerWaalsContact O-O 3.05Å; Q158-N252 PolarHBondContact O-ND2 3.32Å
159G97.8Very high96.4Very high27 Ų2764.4 Ų64.428%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-60.7164.7175.300000112.7
160P98.2Very high96.4Very high14 Ų1465.5 Ų65.59%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-63.5140.2177.4-1631.7000110.4V183 I184 P189 A250 N252 G255 A257P160-V183 HydrophobicContact CB-CG1 3.9Å; P160-I184 CarbonylContact C-O 3.59Å; P160-I184 VanDerWaalsContact CA-O 3.29Å; P160-I184 WeakPolarHBondContact CA-O 3.31Å; P160-P189 HydrophobicContact CB-CB 3.99Å; P160-P189 HydrophobicContact CB-CG 4.24Å; P160-P189 HydrophobicContact CG-CB 3.92Å; P160-A250 HydrophobicContact CB-CB 3.83Å; P160-A250 HydrophobicContact CG-CB 4.43Å; P160-N252 WeakPolarHBondContact CD-OD1 3.08Å; P160-N252 HydrophobicContact CG-CB 4.47Å; P160-G255 VanDerWaalsContact CD-O 3.23Å; P160-G255 WeakPolarHBondContact CD-O 2.99Å; P160-G255 WeakPolarHBondContact CG-O 3.48Å; P160-A257 HydrophobicContact CB-CB 4.13Å; P160-A257 WeakPolarHBondContact O-CB 3.43Å
161S97.6Very high96.4Very high61 Ų6163.3 Ų63.343%0.42735%0.345SS..EExtended strand (participates in β ladder)trans-132.2126.1174.3-176.20000108.9V163 V183 I184S161-V163 PolarHBondContact O-N 2.88Å; S161-V183 WeakPolarHBondContact O-CA 3.41Å; S161-V183 WeakPolarHBondContact O-CG1 3.37Å; S161-I184 PolarHBondContact N-O 2.86Å; S161-I184 PolarHBondContact O-N 2.88Å
162I97.8Very high96.4Very high39 Ų3960.2 Ų60.220%0.233%0.326CS..EExtended strand (participates in β ladder)trans-80.7110.8-178.7-60.1177.9000107.7P165 V183 A257 S258 A259I162-P165 HydrophobicContact CG2-CB 4.01Å; I162-V183 HydrophobicContact CG1-CG2 4.2Å; I162-A257 HydrophobicContact CD1-CB 4.19Å; I162-A257 HydrophobicContact CG1-CB 4.05Å; I162-S258 WeakPolarHBondContact CD1-O 3.3Å; I162-A259 HydrophobicContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-N 3.28Å; I162-A259 HydrophobicContact CG2-CB 4.16Å
163V96.2Very high96.6Very high77 Ų7761.9 Ų61.947%0.46733%0.334SS..EExtended strand (participates in β ladder)trans-78.3-51.4179.2179.40000109.3S161 E182 I184S161-V163 PolarHBondContact O-N 2.88Å; V163-E182 HydrophobicContact CB-CB 4.33Å; V163-E182 PolarHBondContact N-O 3.35Å; V163-I184 HydrophobicContact CG2-CB 4.2Å; V163-I184 HydrophobicContact CG2-CD1 4.02Å; V163-I184 HydrophobicContact CG2-CG1 3.74Å; V163-I184 HydrophobicContact CG2-CG2 3.65Å
164T96.5Very high96.7Very high42 Ų4256.8 Ų56.826%0.25833%0.326SS..EExtended strand (participates in β ladder)trans-124.3106178.6-56.70000108.6C181 E182T164-C181 WeakPolarHBondContact O-CA 3.48Å; T164-E182 WeakPolarHBondContact CB-OE2 3.04Å; T164-E182 PolarHBondContact N-O 2.95Å; T164-E182 PolarHBondContact O-N 2.86Å; T164-E182 PolarHBondContact OG1-OE2 2.83Å
165P98.1Very high96.8Very high63 Ų6356.7 Ų56.741%0.40932%0.323SS..  trans-73.5157.2174.531.3-34.7000110.8I162 A259I162-P165 HydrophobicContact CG2-CB 4.01Å; P165-A259 HydrophobicContact CB-CB 3.78Å
166P98Very high96.9Very high8 Ų860.7 Ų60.75%0.05234%0.338CS..  trans-64.1154.4171.528-32.7000111.4L179 S180 W193 A261P166-L179 HydrophobicContact CB-CB 4.35Å; P166-L179 HydrophobicContact CB-CD2 4.37Å; P166-S180 WeakPolarHBondContact CA-O 3.34Å; P166-W193 HydrophobicContact CB-CH2 3.84Å; P166-W193 HydrophobicContact CB-CZ3 4.27Å; P166-W193 HydrophobicContact CG-CH2 3.99Å; P166-W193 HydrophobicContact CG-CZ3 4.13Å; P166-A261 HydrophobicContact CB-CB 3.58Å; P166-A261 HydrophobicContact CG-CB 3.82Å
167K97.8Very high97Very high148 Ų14860.5 Ų60.564%0.64334%0.337SS*.  trans-113.9145.5-177.6-64.8179.8-178.91760110.2L179K167-L179 WeakPolarHBondContact O-CD2 2.95Å
168D97.3Very high97Very high99 Ų9962.6 Ų62.653%0.52934%0.341SS..  trans-59.3139.8174.1-68.4-7000111.5A261 K262D168-A261 WeakPolarHBondContact OD1-CA 3.46Å; D168-K262 VanDerWaalsContact CA-O 3.32Å; D168-K262 WeakPolarHBondContact CA-O 3.3Å; D168-K262 PolarHBondContact OD1-N 2.9Å
169I96.1Very high97.1Very high36 Ų3659 Ų5919%0.18532%0.324CS..EExtended strand (participates in β ladder)trans-125138.5-178.5-62.6175.9000109.4N171 V177 Y178 L179 K262 T264I169-N171 HydrophobicContact CG2-CB 4.44Å; I169-V177 HydrophobicContact CD1-CB 4.31Å; I169-V177 HydrophobicContact CG2-CB 4.24Å; I169-V177 HydrophobicContact CG2-CG1 3.84Å; I169-Y178 WeakPolarHBondContact CD1-O 3.21Å; I169-L179 HydrophobicContact CD1-CD2 3.68Å; I169-L179 HydrophobicContact CD1-CG 4.45Å; I169-L179 HydrophobicContact CG1-CD2 4.23Å; I169-K262 PolarHBondContact N-O 2.83Å; I169-T264 PolarHBondContact O-N 2.83Å
170W96.4Very high97.1Very high104 Ų10459.1 Ų59.139%0.39432%0.321SS..EExtended strand (participates in β ladder)trans-123122.9171.3-72.864.2000107.9T264 V266 I272 P273W170-T264 WeakPolarHBondContact CA-O 3.39Å; W170-T264 HydrophobicContact CD2-CG2 3.85Å; W170-T264 HydrophobicContact CE3-CG2 3.72Å; W170-T264 HydrophobicContact CH2-CG2 4.08Å; W170-T264 HydrophobicContact CZ2-CG2 4.16Å; W170-T264 HydrophobicContact CZ3-CG2 3.85Å; W170-V266 HydrophobicContact CE3-CG1 3.61Å; W170-V266 HydrophobicContact CZ3-CG1 3.84Å; W170-I272 HydrophobicContact CB-CB 4.48Å; W170-I272 HydrophobicContact CB-CG1 4.29Å; W170-I272 HydrophobicContact CB-CG2 3.91Å; W170-P273 HydrophobicContact CD2-CG 3.83Å; W170-P273 HydrophobicContact CE3-CG 3.96Å; W170-P273 HydrophobicContact CG-CG 4.45Å; W170-P273 HydrophobicContact CH2-CG 3.92Å; W170-P273 HydrophobicContact CZ2-CG 3.82Å; W170-P273 HydrophobicContact CZ3-CG 4Å
171N96.7Very high97.1Very high40 Ų4058.5 Ų58.521%0.21432%0.317CS..EExtended strand (participates in β ladder)trans-154.5175.5178.5-147.5-25.3000111.1I169 A175 V177 L238 T264 V265 V266I169-N171 HydrophobicContact CG2-CB 4.44Å; N171-A175 HydrophobicContact CB-CB 4.3Å; N171-A175 VanDerWaalsContact CG-CB 3.42Å; N171-A175 WeakPolarHBondContact ND2-CB 3.35Å; N171-A175 WeakPolarHBondContact OD1-CB 3Å; N171-V177 HydrophobicContact CB-CG1 3.91Å; N171-V177 WeakPolarHBondContact ND2-CG1 3.34Å; N171-L238 HydrophobicContact CB-CD2 3.81Å; N171-T264 PolarHBondContact N-O 3.31Å; N171-V265 CarbonylContact O-C 3.56Å; N171-V265 VanDerWaalsContact O-CA 3.27Å; N171-V265 WeakPolarHBondContact O-CA 3.05Å; N171-V266 PolarHBondContact O-N 2.69Å
172V96.2Very high97.1Very high32 Ų3258.2 Ų58.219%0.19431%0.309CS..EExtended strand (participates in β ladder)trans-100.6163.3179.8-65.60000111.8A175 V266 L269V172-A175 VanDerWaalsContact O-CB 3.26Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 3.16Å; V172-V266 WeakPolarHBondContact CA-O 3Å; V172-V266 HydrophobicContact CG1-CG2 3.94Å; V172-L269 HydrophobicContact CG1-CD2 3.9Å; V172-L269 HydrophobicContact CG1-CG 4.23Å; V172-L269 HydrophobicContact CG2-CD2 4.11Å
173T96.8Very high97.1Very high82 Ų8256.4 Ų56.450%0.50330%0.299SS..THydrogen-bonded Turntrans-57.4141.3174.8-58.70000111A175 L238T173-A175 VanDerWaalsContact C-N 3.3Å; T173-A175 PolarHBondContact O-N 3.29Å; T173-L238 CarbonylContact C-O 3.49Å; T173-L238 WeakPolarHBondContact CA-O 2.96Å; T173-L238 WeakPolarHBondContact CG2-O 3.25Å
174G95.4Very high97.1Very high50 Ų5055.4 Ų55.452%0.51529%0.291SS..THydrogen-bonded Turntrans87.8-13-178.400000114.6L238G174-L238 PolarHBondContact N-O 3.03Å
175A96.4Very high97.1Very high21 Ų2153.4 Ų53.417%0.17428%0.279CS..  trans-69.7165.3178.200000112.7N171 V172 T173 L238N171-A175 HydrophobicContact CB-CB 4.3Å; N171-A175 VanDerWaalsContact CG-CB 3.42Å; N171-A175 WeakPolarHBondContact ND2-CB 3.35Å; N171-A175 WeakPolarHBondContact OD1-CB 3Å; V172-A175 VanDerWaalsContact O-CB 3.26Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 3.16Å; T173-A175 VanDerWaalsContact C-N 3.3Å; T173-A175 PolarHBondContact O-N 3.29Å; A175-L238 VanDerWaalsContact O-CB 3.22Å; A175-L238 WeakPolarHBondContact O-CB 3Å; A175-L238 PolarHBondContact O-N 2.98Å
176Q97.3Very high97.1Very high130 Ų13051.3 Ų51.361%0.60726%0.264SS*.  trans-107130.6168.5177.3172.394.500109.1L234 V235 S236Q176-L234 HydrophobicContact CG-CD1 3.62Å; Q176-V235 WeakPolarHBondContact CA-O 3.15Å; Q176-S236 PolarHBondContact NE2-OG 3.38Å
177V97.4Very high97Very high8 Ų853.7 Ų53.75%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-134.9155.4179.5-61.80000111I169 N171 V235 L238 I263I169-V177 HydrophobicContact CD1-CB 4.31Å; I169-V177 HydrophobicContact CG2-CB 4.24Å; I169-V177 HydrophobicContact CG2-CG1 3.84Å; N171-V177 HydrophobicContact CB-CG1 3.91Å; N171-V177 WeakPolarHBondContact ND2-CG1 3.34Å; V177-V235 HydrophobicContact CG2-CB 3.91Å; V177-V235 HydrophobicContact CG2-CG2 4.43Å; V177-V235 PolarHBondContact N-O 3.36Å; V177-V235 PolarHBondContact O-N 3.19Å; V177-L238 HydrophobicContact CG1-CD2 4.11Å; V177-L238 HydrophobicContact CG2-CD1 3.94Å; V177-L238 HydrophobicContact CG2-CD2 4.39Å; V177-I263 HydrophobicContact CG2-CD1 4.36Å
178Y96.9Very high96.9Very high155 Ų15549.9 Ų49.961%0.60827%0.269SS*.EExtended strand (participates in β ladder)trans-136.8142173.366.6-88000112.6I169 V233I169-Y178 WeakPolarHBondContact CD1-O 3.21Å; Y178-V233 CarbonylContact C-O 3.56Å; Y178-V233 WeakPolarHBondContact CA-O 3.46Å
179L98.2Very high96.9Very high3 Ų345.5 Ų45.52%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-101.3147.2164.8-60.9171.4000108.8P166 K167 I169 W193 W232 V233 Y246 A261 I263P166-L179 HydrophobicContact CB-CB 4.35Å; P166-L179 HydrophobicContact CB-CD2 4.37Å; K167-L179 WeakPolarHBondContact O-CD2 2.95Å; I169-L179 HydrophobicContact CD1-CD2 3.68Å; I169-L179 HydrophobicContact CD1-CG 4.45Å; I169-L179 HydrophobicContact CG1-CD2 4.23Å; L179-W193 HydrophobicContact CB-CH2 3.81Å; L179-W193 HydrophobicContact CB-CZ2 4.47Å; L179-W193 HydrophobicContact CB-CZ3 4.16Å; L179-W193 HydrophobicContact CD1-CZ3 4.2Å; L179-W232 CarbonylContact O-C 3.04Å; L179-W232 WeakPolarHBondContact O-CA 3.35Å; L179-V233 HydrophobicContact CB-CB 4.28Å; L179-V233 PolarHBondContact N-O 3.45Å; L179-V233 PolarHBondContact O-N 3.19Å; L179-Y246 HydrophobicContact CD1-CD1 3.99Å; L179-Y246 HydrophobicContact CD1-CD2 4.15Å; L179-Y246 HydrophobicContact CD1-CG 3.58Å; L179-A261 HydrophobicContact CD2-CB 4.06Å; L179-I263 HydrophobicContact CD1-CD1 3.93Å; L179-I263 HydrophobicContact CD1-CG1 4.3Å; L179-I263 HydrophobicContact CD2-CG1 4.35Å; L179-I263 HydrophobicContact CG-CD1 4.17Å; L179-I263 HydrophobicContact CG-CG1 4.5Å
180S97.6Very high97Very high30 Ų3048.6 Ų48.621%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-130.7138.9175.9600000110.2P166 G231P166-S180 WeakPolarHBondContact CA-O 3.34Å; S180-G231 CarbonylContact C-O 3.54Å; S180-G231 WeakPolarHBondContact CA-O 3.39Å
181C97.9Very high97Very high0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-137.8121.7174.1-177.30000109.1T164 W193 T230 G231 C248T164-C181 WeakPolarHBondContact O-CA 3.48Å; C181-W193 HydrophobicContact CB-CH2 3.67Å; C181-W193 HydrophobicContact CB-CZ2 3.42Å; C181-W193 VanDerWaalsContact CB-CZ2 3.42Å; C181-T230 WeakPolarHBondContact O-CA 3.22Å; C181-G231 PolarHBondContact N-O 2.85Å; C181-G231 PolarHBondContact O-N 3.29Å; C181-C248 HydrophobicContact CB-CB 3.42Å; C181-C248 VanDerWaalsContact CB-CB 3.42Å; C181-C248 WeakPolarHBondContact CB-SG 3.47Å; C181-C248 WeakPolarHBondContact SG-CB 3.01Å; C181-C248 CovalentContact SG-SG 2.05Å; C181-C248 PolarHBondContact SG-SG 3.18Å
182E97.6Very high97.1Very high56 Ų5645.3 Ų45.326%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-108128.7179.7-65.8169177.900109.1V163 T164 T230V163-E182 HydrophobicContact CB-CB 4.33Å; V163-E182 PolarHBondContact N-O 3.35Å; T164-E182 WeakPolarHBondContact CB-OE2 3.04Å; T164-E182 PolarHBondContact N-O 2.95Å; T164-E182 PolarHBondContact O-N 2.86Å; T164-E182 PolarHBondContact OG1-OE2 2.83Å; E182-T230 HydrophobicContact CG-CG2 3.54Å
183V98Very high97.1Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-136.5136-174-167.90000110P160 S161 I162 P189 L191 E228 V229 A250P160-V183 HydrophobicContact CB-CG1 3.9Å; S161-V183 WeakPolarHBondContact O-CA 3.41Å; S161-V183 WeakPolarHBondContact O-CG1 3.37Å; I162-V183 HydrophobicContact CG1-CG2 4.2Å; V183-P189 HydrophobicContact CB-CG 4.32Å; V183-P189 HydrophobicContact CG1-CG 3.82Å; V183-L191 HydrophobicContact CG2-CD1 3.82Å; V183-E228 CarbonylContact O-C 3.43Å; V183-E228 WeakPolarHBondContact O-CA 3.04Å; V183-V229 HydrophobicContact CB-CG1 4.07Å; V183-V229 PolarHBondContact N-O 3.13Å; V183-V229 PolarHBondContact O-N 2.99Å; V183-A250 HydrophobicContact CB-CB 4.25Å; V183-A250 HydrophobicContact CG1-CB 3.61Å; V183-A250 HydrophobicContact CG2-CB 4.06Å
184I97.2Very high97.2Very high56 Ų5640.5 Ų40.529%0.28723%0.225SC..EExtended strand (participates in β ladder)trans-110.2152.8170.560.8172.8000110P160 S161 V163 H227 E228P160-I184 CarbonylContact C-O 3.59Å; P160-I184 VanDerWaalsContact CA-O 3.29Å; P160-I184 WeakPolarHBondContact CA-O 3.31Å; S161-I184 PolarHBondContact N-O 2.86Å; S161-I184 PolarHBondContact O-N 2.88Å; V163-I184 HydrophobicContact CG2-CB 4.2Å; V163-I184 HydrophobicContact CG2-CD1 4.02Å; V163-I184 HydrophobicContact CG2-CG1 3.74Å; V163-I184 HydrophobicContact CG2-CG2 3.65Å; I184-H227 WeakPolarHBondContact CA-O 3.05Å; I184-E228 HydrophobicContact CG2-CB 4.03Å; I184-E228 HydrophobicContact CG2-CG 3.91Å
185G96.8Very high97.1Very high1 Ų138.5 Ų38.51%0.0120%0.203CC..EExtended strand (participates in β ladder)trans173.7151.9173.800000111.6P187 T188 H227G185-P187 CarbonylContact C-O 3.5Å; G185-P187 CarbonylContact O-C 3.46Å; G185-T188 VanDerWaalsContact O-CA 3.23Å; G185-T188 WeakPolarHBondContact O-CA 3.31Å; G185-T188 PolarHBondContact O-N 3.23Å; G185-H227 PolarHBondContact N-O 2.7Å; G185-H227 WeakPolarHBondContact O-CB 3.36Å
186I96.4Very high97Very high19 Ų1938.3 Ų38.310%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-125.7113.2-174.6-55.3-178.4000109.2T155 E157 Q158 H227 N252T155-I186 WeakPolarHBondContact OG1-CD1 3.45Å; E157-I186 CarbonylContact C-O 3.57Å; E157-I186 VanDerWaalsContact CA-O 3.26Å; E157-I186 WeakPolarHBondContact CA-O 3.37Å; E157-I186 WeakPolarHBondContact CB-O 3.26Å; E157-I186 HydrophobicContact CG-CG2 4.43Å; Q158-I186 HydrophobicContact CG-CB 3.95Å; Q158-I186 HydrophobicContact CG-CD1 4.27Å; Q158-I186 HydrophobicContact CG-CG1 3.91Å; Q158-I186 PolarHBondContact N-O 3.42Å; Q158-I186 PolarHBondContact O-N 3.12Å; Q158-I186 VanDerWaalsContact O-O 3.05Å; I186-H227 HydrophobicContact CD1-CB 4.43Å; I186-H227 HydrophobicContact CG1-CB 3.76Å; I186-N252 PolarHBondContact N-ND2 2.89Å
187P95.9Very high96.4Very high57 Ų5736.9 Ų36.937%0.3719%0.191SC..SBendcis-63.9161.5-1.3-21.734.4000113.9G185 N252 S253G185-P187 CarbonylContact C-O 3.5Å; G185-P187 CarbonylContact O-C 3.46Å; P187-N252 WeakPolarHBondContact O-CB 3.43Å; P187-N252 PolarHBondContact O-ND2 2.98Å; P187-S253 VanDerWaalsContact CD-OG 3.31Å; P187-S253 WeakPolarHBondContact CD-OG 3.39Å
188T96.1Very high95.4Very high69 Ų6946.6 Ų46.642%0.42323%0.227SC..PPolyproline II helixtrans-50.2122.9-179.7-49.30000110G185 H227 V229G185-T188 VanDerWaalsContact O-CA 3.23Å; G185-T188 WeakPolarHBondContact O-CA 3.31Å; G185-T188 PolarHBondContact O-N 3.23Å; T188-H227 WeakPolarHBondContact OG1-CA 3.3Å; T188-H227 PolarHBondContact OG1-ND1 3.42Å; T188-V229 HydrophobicContact CG2-CB 4.31Å
189P97.7Very high94.1Very high6 Ų640.4 Ų40.44%0.03921%0.21CC..PPolyproline II helixtrans-73151.1-172.528-32.7000112.1P160 V183 V229 A250 S251 N252P160-P189 HydrophobicContact CB-CB 3.99Å; P160-P189 HydrophobicContact CB-CG 4.24Å; P160-P189 HydrophobicContact CG-CB 3.92Å; V183-P189 HydrophobicContact CB-CG 4.32Å; V183-P189 HydrophobicContact CG1-CG 3.82Å; P189-V229 HydrophobicContact CG-CG1 3.91Å; P189-A250 HydrophobicContact CB-CB 4.25Å; P189-S251 CarbonylContact C-O 3.02Å; P189-S251 VanDerWaalsContact CA-O 3.32Å; P189-S251 WeakPolarHBondContact CA-O 3.45Å; P189-N252 HydrophobicContact CB-CB 4.28Å
190V97.1Very high92.6Very high102 Ų10249.8 Ų49.862%0.61825%0.254SS*.EExtended strand (participates in β ladder)trans-78.5123.6166.4178.90000107.6I192 A250 S251V190-I192 HydrophobicContact CG1-CG2 4.23Å; V190-A250 VanDerWaalsContact O-CA 3.31Å; V190-A250 WeakPolarHBondContact O-CA 3.44Å; V190-S251 PolarHBondContact N-O 2.96Å; V190-S251 PolarHBondContact O-N 2.8Å
191L97.6Very high91.4Very high13 Ų1358.8 Ų58.87%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-105.1121.1179.2-175.363.5000110.1V183 T220 V229 G231 C248 A250V183-L191 HydrophobicContact CG2-CD1 3.82Å; L191-T220 HydrophobicContact CB-CG2 4.47Å; L191-V229 HydrophobicContact CB-CG1 4.05Å; L191-V229 HydrophobicContact CB-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG1 4.4Å; L191-V229 HydrophobicContact CD2-CG2 4.46Å; L191-G231 VanDerWaalsContact CD2-CA 3.49Å; L191-C248 HydrophobicContact CD1-CB 4.08Å; L191-A250 HydrophobicContact CD1-CB 4.07Å
192I97.5Very high89.9Confident61 Ų6161.9 Ų61.931%0.31332%0.316SS..EExtended strand (participates in β ladder)trans-121.1155.4174.962.9170.7000110V190 L208 H249V190-I192 HydrophobicContact CG1-CG2 4.23Å; I192-L208 HydrophobicContact CB-CD1 4.1Å; I192-L208 HydrophobicContact CD1-CD1 4.21Å; I192-H249 HydrophobicContact CD1-CB 4.32Å; I192-H249 HydrophobicContact CG1-CB 3.87Å; I192-H249 VanDerWaalsContact CG1-O 3.31Å; I192-H249 WeakPolarHBondContact CG1-O 3.41Å; I192-H249 PolarHBondContact N-O 3Å; I192-H249 PolarHBondContact O-N 2.89Å
193W98.1Very high88.8Confident2 Ų263.6 Ų63.61%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-115.9137.1174.6-75.295.2000110.2P166 L179 C181 L209 I218 V233 E247 C248P166-W193 HydrophobicContact CB-CH2 3.84Å; P166-W193 HydrophobicContact CB-CZ3 4.27Å; P166-W193 HydrophobicContact CG-CH2 3.99Å; P166-W193 HydrophobicContact CG-CZ3 4.13Å; L179-W193 HydrophobicContact CB-CH2 3.81Å; L179-W193 HydrophobicContact CB-CZ2 4.47Å; L179-W193 HydrophobicContact CB-CZ3 4.16Å; L179-W193 HydrophobicContact CD1-CZ3 4.2Å; C181-W193 HydrophobicContact CB-CH2 3.67Å; C181-W193 HydrophobicContact CB-CZ2 3.42Å; C181-W193 VanDerWaalsContact CB-CZ2 3.42Å; W193-L209 HydrophobicContact CB-CB 4.2Å; W193-L209 HydrophobicContact CB-CD1 4.12Å; W193-L209 WeakPolarHBondContact O-CB 3.01Å; W193-L209 PolarHBondContact O-N 2.76Å; W193-I218 HydrophobicContact CB-CD1 3.77Å; W193-I218 HydrophobicContact CG-CD1 4.32Å; W193-V233 HydrophobicContact CB-CG2 3.9Å; W193-V233 HydrophobicContact CD2-CG2 3.28Å; W193-V233 HydrophobicContact CE3-CG2 3.69Å; W193-V233 HydrophobicContact CG-CG2 3.39Å; W193-V233 HydrophobicContact CZ2-CG2 4.21Å; W193-V233 HydrophobicContact CZ3-CG2 4.29Å; W193-E247 CarbonylContact C-O 3.56Å; W193-E247 WeakPolarHBondContact CA-O 3.36Å; W193-C248 HydrophobicContact CD2-CB 4Å; W193-C248 HydrophobicContact CE3-CB 3.87Å; W193-C248 HydrophobicContact CH2-CB 3.8Å; W193-C248 HydrophobicContact CZ2-CB 3.92Å; W193-C248 HydrophobicContact CZ3-CB 3.77Å
194N97.1Very high87.8Confident11 Ų1170.1 Ų70.16%0.05936%0.361CS..EExtended strand (participates in β ladder)trans-124.4144.9177.5-61.1-45.6000110T206 E207 Y246 E247N194-T206 HydrophobicContact CB-CG2 4.1Å; N194-E207 CarbonylContact C-O 3.15Å; N194-E207 VanDerWaalsContact CA-O 3.22Å; N194-E207 WeakPolarHBondContact CA-O 3.12Å; N194-Y246 CarbonylContact O-C 3.59Å; N194-Y246 WeakPolarHBondContact O-CA 3.46Å; N194-E247 HydrophobicContact CB-CB 4.43Å; N194-E247 PolarHBondContact N-O 3.13Å; N194-E247 PolarHBondContact ND2-OE1 2.88Å; N194-E247 PolarHBondContact O-N 3.29Å
195K95.1Very high87.2Confident9 Ų976.1 Ų76.14%0.03938%0.38CS..EExtended strand (participates in β ladder)trans-93.3124.5162.6-171.2165.4-176.8159.60108.9K197 E207 L209 D241 D242 A243 Y246K195-K197 PolarHBondContact O-N 3.48Å; K195-E207 PolarHBondContact N-O 2.93Å; K195-E207 PolarHBondContact O-N 2.82Å; K195-L209 HydrophobicContact CB-CD1 4.28Å; K195-L209 HydrophobicContact CB-CD2 4.08Å; K195-L209 HydrophobicContact CB-CG 4.27Å; K195-D241 PolarHBondContact NZ-O 3.37Å; K195-D242 VanDerWaalsContact NZ-CA 3.31Å; K195-D242 PolarHBondContact NZ-O 2.54Å; K195-A243 WeakPolarHBondContact CE-O 3.28Å; K195-A243 PolarHBondContact NZ-O 3.5Å; K195-Y246 HydrophobicContact CD-CE1 4.3Å; K195-Y246 HydrophobicContact CD-CE2 4.42Å; K195-Y246 HydrophobicContact CG-CE1 4.49Å; K195-Y246 PolarHBondContact NZ-OH 2.86Å; K195-Y246 VanDerWaalsContact NZ-OH 3.17Å
196V92.8Very high86.9Confident16 Ų1680.1 Ų80.110%0.09741%0.405CS..EExtended strand (participates in β ladder)trans-81.7116.3177.6-175.60000108.4T206 E245 E247V196-T206 HydrophobicContact CG2-CG2 4.49Å; V196-E245 HydrophobicContact CB-CB 4.06Å; V196-E245 HydrophobicContact CB-CG 4.19Å; V196-E245 HydrophobicContact CG2-CB 4.44Å; V196-E245 HydrophobicContact CG2-CG 4.08Å; V196-E245 PolarHBondContact N-O 3.08Å; V196-E247 HydrophobicContact CG2-CB 4.04Å
197K84.7Confident86.7Confident101 Ų10181.3 Ų81.344%0.43941%0.41SS..EExtended strand (participates in β ladder)trans-107.7130.2174.2-73.5-176.7165.8174.70109.5K195 G199 R205 E207K195-K197 PolarHBondContact O-N 3.48Å; K197-G199 PolarHBondContact O-N 2.92Å; K197-R205 PolarHBondContact N-O 3.37Å; K197-R205 PolarHBondContact O-N 2.94Å; K197-R205 VanDerWaalsContact O-O 3.14Å; K197-E207 WeakPolarHBondContact CD-OE2 3.34Å; K197-E207 WeakPolarHBondContact CE-OE2 3.45Å; K197-E207 IonicContact NZ-OE2 2.62Å; K197-E207 PolarHBondContact NZ-OE2 2.75Å
198R76.9Confident86.7Confident211 Ų21183.7 Ų83.780%0.79642%0.419SS*.EExtended strand (participates in β ladder)trans-81.3115.5168.7-66.9-174.5-173.1-168.50.3108.5
199G70.3Confident86.7Confident26 Ų2680.9 Ų80.927%0.26840%0.401SS..  trans-69.6162173.200000112.2K197 Y201 G202 V203K197-G199 PolarHBondContact O-N 2.92Å; G199-Y201 PolarHBondContact O-N 3.45Å; G199-G202 PolarHBondContact O-N 3.1Å; G199-V203 WeakPolarHBondContact CA-O 3.47Å; G199-V203 PolarHBondContact N-O 2.9Å
200H66.6Low86.6Confident199 Ų19983.2 Ų83.292%0.92142%0.416SS*.THydrogen-bonded Turntrans-57.3-18.2-179.8-87.5-89.5000115.1
201Y71.6Confident86.3Confident219 Ų21980.8 Ų80.886%0.85941%0.412SS*.THydrogen-bonded Turntrans-11118.5179.1-68.3-79.5000113.4G199 V203G199-Y201 PolarHBondContact O-N 3.45Å; Y201-V203 PolarHBondContact O-N 3.01Å
202G67.8Low85.9Confident65 Ų6587.3 Ų87.367%0.6745%0.447SS*.SBendtrans76.10-178.700000114.8G199 Q204G199-G202 PolarHBondContact O-N 3.1Å; G202-Q204 PolarHBondContact O-N 2.89Å
203V74.4Confident85.7Confident93 Ų9386.5 Ų86.556%0.56444%0.44SS*.  trans-70.2119.5171.1-177.60000108.8G199 Y201 R205G199-V203 WeakPolarHBondContact CA-O 3.47Å; G199-V203 PolarHBondContact N-O 2.9Å; Y201-V203 PolarHBondContact O-N 3.01Å; V203-R205 HydrophobicContact CG1-CG 4.44Å; V203-R205 PolarHBondContact O-N 3.04Å
204Q76.3Confident85.5Confident137 Ų13794.1 Ų94.164%0.6448%0.481SS*.EExtended strand (participates in β ladder)trans-71.9125.6170.7-66.1-171.252.700109G202G202-Q204 PolarHBondContact O-N 2.89Å
205R85.1Confident85.5Confident181 Ų18194.6 Ų94.668%0.68348%0.483SS*.EExtended strand (participates in β ladder)trans-116.9135.7171.5-65.8-178.183.9140.71.3108.1K197 V203K197-R205 PolarHBondContact N-O 3.37Å; K197-R205 PolarHBondContact O-N 2.94Å; K197-R205 VanDerWaalsContact O-O 3.14Å; V203-R205 HydrophobicContact CG1-CG 4.44Å; V203-R205 PolarHBondContact O-N 3.04Å
206T90Very high85.6Confident86 Ų8694.8 Ų94.853%0.52849%0.485SS..EExtended strand (participates in β ladder)trans-94.5138.6170.845.70000109.4N194 V196N194-T206 HydrophobicContact CB-CG2 4.1Å; V196-T206 HydrophobicContact CG2-CG2 4.49Å
207E92.6Very high85.8Confident43 Ų4396.4 Ų96.420%0.20150%0.5CS..EExtended strand (participates in β ladder)trans-113.4122.8172.1-174.1-170148.500108.7N194 K195 K197 L209 R213N194-E207 CarbonylContact C-O 3.15Å; N194-E207 VanDerWaalsContact CA-O 3.22Å; N194-E207 WeakPolarHBondContact CA-O 3.12Å; K195-E207 PolarHBondContact N-O 2.93Å; K195-E207 PolarHBondContact O-N 2.82Å; K197-E207 WeakPolarHBondContact CD-OE2 3.34Å; K197-E207 WeakPolarHBondContact CE-OE2 3.45Å; K197-E207 IonicContact NZ-OE2 2.62Å; K197-E207 PolarHBondContact NZ-OE2 2.75Å; E207-L209 PolarHBondContact O-N 2.95Å; E207-R213 VanDerWaalsContact CD-NH2 3.27Å; E207-R213 IonicContact OE1-CZ 2.68Å; E207-R213 VanDerWaalsContact OE1-CZ 3.23Å; E207-R213 IonicContact OE1-NH1 3.45Å; E207-R213 PolarHBondContact OE1-NH1 2.92Å; E207-R213 IonicContact OE1-NH2 2.7Å; E207-R213 PolarHBondContact OE1-NH2 3.3Å; E207-R213 IonicContact OE2-NH2 3.23Å; E207-R213 PolarHBondContact OE2-NH2 2.87Å
208L95.2Very high86.5Confident107 Ų10794.2 Ų94.256%0.5649%0.492SS*.EExtended strand (participates in β ladder)trans-65.4126.9179.1-175.168.6000110.2I192 G211I192-L208 HydrophobicContact CB-CD1 4.1Å; I192-L208 HydrophobicContact CD1-CD1 4.21Å; L208-G211 PolarHBondContact O-N 2.81Å
209L96.3Very high87.4Confident11 Ų1188.6 Ų88.66%0.05848%0.475CS..SBendtrans-88.9153.1177.3-67.6173.3000111.2W193 K195 E207 L216 I218 Y246W193-L209 HydrophobicContact CB-CB 4.2Å; W193-L209 HydrophobicContact CB-CD1 4.12Å; W193-L209 WeakPolarHBondContact O-CB 3.01Å; W193-L209 PolarHBondContact O-N 2.76Å; K195-L209 HydrophobicContact CB-CD1 4.28Å; K195-L209 HydrophobicContact CB-CD2 4.08Å; K195-L209 HydrophobicContact CB-CG 4.27Å; E207-L209 PolarHBondContact O-N 2.95Å; L209-L216 HydrophobicContact CB-CD2 4.49Å; L209-L216 HydrophobicContact CD2-CD1 4.04Å; L209-L216 HydrophobicContact CD2-CD2 4.5Å; L209-I218 VanDerWaalsContact C-CD1 3.46Å; L209-I218 HydrophobicContact CB-CD1 3.47Å; L209-I218 VanDerWaalsContact CB-CD1 3.47Å; L209-I218 WeakPolarHBondContact O-CD1 3.33Å; L209-Y246 HydrophobicContact CD1-CD1 3.56Å; L209-Y246 HydrophobicContact CD1-CE1 3.75Å
210P95.4Very high88.6Confident54 Ų5490.4 Ų90.435%0.35148%0.481SS..SBendcis-77.5-18.74.231.8-35.6000114.8R213 L216P210-R213 PolarHBondContact O-NH1 2.75Å; P210-R213 VanDerWaalsContact O-NH1 3.11Å; P210-L216 HydrophobicContact CB-CD2 3.48Å; P210-L216 VanDerWaalsContact CB-CD2 3.48Å
211G90.6Very high90Very high52 Ų5287.9 Ų87.954%0.53646%0.463SS..THydrogen-bonded Turntrans71.6-135.1-173.200000111.4L208L208-G211 PolarHBondContact O-N 2.81Å
212D90.4Very high91Very high149 Ų14980.4 Ų80.480%0.79745%0.453SS*.THydrogen-bonded Turntrans-100.19.7178.860.6-19.8000113.8
213R92.9Very high91.7Very high45 Ų4578.3 Ų78.317%0.1743%0.432CS..  trans-72130-179.5-65.1174.8-176.671.99.6111.2E207 P210 L216E207-R213 VanDerWaalsContact CD-NH2 3.27Å; E207-R213 IonicContact OE1-CZ 2.68Å; E207-R213 VanDerWaalsContact OE1-CZ 3.23Å; E207-R213 IonicContact OE1-NH1 3.45Å; E207-R213 PolarHBondContact OE1-NH1 2.92Å; E207-R213 IonicContact OE1-NH2 2.7Å; E207-R213 PolarHBondContact OE1-NH2 3.3Å; E207-R213 IonicContact OE2-NH2 3.23Å; E207-R213 PolarHBondContact OE2-NH2 2.87Å; P210-R213 PolarHBondContact O-NH1 2.75Å; P210-R213 VanDerWaalsContact O-NH1 3.11Å; R213-L216 HydrophobicContact CB-CB 3.92Å
214D94.1Very high92Very high161 Ų16179.8 Ų79.886%0.86144%0.443SS*.SBendtrans-85.6-26.9178.461.6-13000113.1
215N96.8Very high92.5Very high21 Ų2179.8 Ų79.811%0.11244%0.443CS..SBendtrans-927.3-178.474.6-34.8000114.1V235 S236 P237 D242N215-V235 CarbonylContact O-C 3.53Å; N215-V235 WeakPolarHBondContact O-CA 3.5Å; N215-S236 PolarHBondContact O-N 2.99Å; N215-P237 PolarHBondContact ND2-O 3.28Å; N215-D242 PolarHBondContact ND2-OD1 3.2Å; N215-D242 PolarHBondContact ND2-OD2 2.79Å
216L97.3Very high92.7Very high13 Ų1379.9 Ų79.97%0.06845%0.448CS..EExtended strand (participates in β ladder)trans-127.9133.1-173.6-169.6155000111.9L209 P210 R213 I218 V233 L234 V235 Y246L209-L216 HydrophobicContact CB-CD2 4.49Å; L209-L216 HydrophobicContact CD2-CD1 4.04Å; L209-L216 HydrophobicContact CD2-CD2 4.5Å; P210-L216 HydrophobicContact CB-CD2 3.48Å; P210-L216 VanDerWaalsContact CB-CD2 3.48Å; R213-L216 HydrophobicContact CB-CB 3.92Å; L216-I218 HydrophobicContact CD2-CG1 4.12Å; L216-V233 HydrophobicContact CD1-CG1 3.9Å; L216-V233 HydrophobicContact CD2-CG1 4.05Å; L216-V233 HydrophobicContact CG-CG1 3.93Å; L216-L234 CarbonylContact C-O 3.52Å; L216-L234 VanDerWaalsContact CA-O 3.32Å; L216-L234 WeakPolarHBondContact CA-O 3.29Å; L216-V235 HydrophobicContact CD1-CG2 3.95Å; L216-V235 HydrophobicContact CG-CG2 4.18Å; L216-Y246 HydrophobicContact CD1-CE1 4.26Å
217A97.4Very high92.9Very high51 Ų5179.3 Ų79.342%0.42144%0.44SS..EExtended strand (participates in β ladder)trans-130.2143.817500000111.5L234A217-L234 PolarHBondContact N-O 2.94Å; A217-L234 PolarHBondContact O-N 3Å
218I97.7Very high93.1Very high54 Ų5478.3 Ų78.328%0.27744%0.435SS..EExtended strand (participates in β ladder)trans-112.2134.8172.5-67.4176.4000109.5W193 L209 L216 W232 V233W193-I218 HydrophobicContact CB-CD1 3.77Å; W193-I218 HydrophobicContact CG-CD1 4.32Å; L209-I218 VanDerWaalsContact C-CD1 3.46Å; L209-I218 HydrophobicContact CB-CD1 3.47Å; L209-I218 VanDerWaalsContact CB-CD1 3.47Å; L209-I218 WeakPolarHBondContact O-CD1 3.33Å; L216-I218 HydrophobicContact CD2-CG1 4.12Å; I218-W232 WeakPolarHBondContact CA-O 2.94Å; I218-V233 HydrophobicContact CG1-CG2 4.19Å
219Q96.5Very high93.2Very high94 Ų9473.7 Ų73.744%0.43941%0.411SS..EExtended strand (participates in β ladder)trans-123.9135.6168.6-177.5168.783.300109.4R221 G231 W232Q219-R221 HydrophobicContact CG-CG 4.18Å; Q219-G231 CarbonylContact O-C 3.57Å; Q219-G231 WeakPolarHBondContact O-CA 3.48Å; Q219-W232 HydrophobicContact CB-CE3 4.38Å; Q219-W232 HydrophobicContact CG-CE3 4.33Å; Q219-W232 PolarHBondContact N-O 3.22Å; Q219-W232 PolarHBondContact O-N 3.47Å
220T96.4Very high93.2Very high63 Ų6373.5 Ų73.539%0.38741%0.411SS..EExtended strand (participates in β ladder)trans-124.2131.2172.5-52.60000108.3L191 V229 T230L191-T220 HydrophobicContact CB-CG2 4.47Å; T220-V229 HydrophobicContact CG2-CG2 3.31Å; T220-T230 CarbonylContact C-O 3.56Å; T220-T230 WeakPolarHBondContact CA-O 3.15Å
221R95.4Very high93.3Very high146 Ų14671 Ų7155%0.55139%0.394SS*.EExtended strand (participates in β ladder)trans-132.1152.8175.9-61.8-68.9-178.795.81109.4Q219 T230 W232Q219-R221 HydrophobicContact CG-CG 4.18Å; R221-T230 PolarHBondContact N-O 3.18Å; R221-T230 PolarHBondContact O-N 3.07Å; R221-W232 HydrophobicContact CB-CH2 4.07Å; R221-W232 HydrophobicContact CB-CZ3 3.73Å; R221-W232 HydrophobicContact CG-CH2 4.31Å; R221-W232 HydrophobicContact CG-CZ3 3.75Å
222G93.2Very high93.7Very high63 Ų6372.2 Ų72.265%0.64938%0.383SS*.EExtended strand (participates in β ladder)trans-65.4146.9164.700000110.3E228G222-E228 WeakPolarHBondContact CA-O 3.39Å
223G82.2Confident94Very high21 Ų2165.1 Ų65.122%0.21635%0.345CS..  trans-76173.8174.400000113.2E225 E228G223-E225 VanDerWaalsContact C-N 3.26Å; G223-E228 PolarHBondContact N-O 2.87Å
224P80.6Confident94.3Very high123 Ų12366.1 Ų66.180%0.79935%0.353SS*.SBendtrans-63.7-32.8171.427.6-34.9000112.2E228P224-E228 VanDerWaalsContact CD-OE2 3.29Å; P224-E228 WeakPolarHBondContact CD-OE2 3.07Å
225E87.2Confident94.5Very high137 Ų13758.5 Ų58.564%0.6431%0.312SS*.SBendtrans-85.5154.4177.6-64.3-62.6150.600111.9G223 E228G223-E225 VanDerWaalsContact C-N 3.26Å; E225-E228 HydrophobicContact CB-CB 4.33Å; E225-E228 WeakPolarHBondContact CB-OE2 3.44Å; E225-E228 PolarHBondContact N-OE2 3.39Å; E225-E228 VanDerWaalsContact N-OE2 3.08Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.94Å
226K88.4Confident94.5Very high183 Ų18359.8 Ų59.880%0.79632%0.323SS*.THydrogen-bonded Turntrans-64.9142.7173.8-71.8-175.3-179.4179.60109.5E228K226-E228 PolarHBondContact O-N 2.05Å
227H93.9Very high94.5Very high74 Ų7463 Ų6334%0.34334%0.344SS..THydrogen-bonded Turntrans66.222.5176.5-55.7-61.7000114.6I184 G185 I186 T188I184-H227 WeakPolarHBondContact CA-O 3.05Å; G185-H227 PolarHBondContact N-O 2.7Å; G185-H227 WeakPolarHBondContact O-CB 3.36Å; I186-H227 HydrophobicContact CD1-CB 4.43Å; I186-H227 HydrophobicContact CG1-CB 3.76Å; T188-H227 WeakPolarHBondContact OG1-CA 3.3Å; T188-H227 PolarHBondContact OG1-ND1 3.42Å
228E96.6Very high94.5Very high22 Ų2260.6 Ų60.610%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-106.7143.7174.6-170.4-177.2-179.700110.9V183 I184 G222 G223 P224 E225 K226V183-E228 CarbonylContact O-C 3.43Å; V183-E228 WeakPolarHBondContact O-CA 3.04Å; I184-E228 HydrophobicContact CG2-CB 4.03Å; I184-E228 HydrophobicContact CG2-CG 3.91Å; G222-E228 WeakPolarHBondContact CA-O 3.39Å; G223-E228 PolarHBondContact N-O 2.87Å; P224-E228 VanDerWaalsContact CD-OE2 3.29Å; P224-E228 WeakPolarHBondContact CD-OE2 3.07Å; E225-E228 HydrophobicContact CB-CB 4.33Å; E225-E228 WeakPolarHBondContact CB-OE2 3.44Å; E225-E228 PolarHBondContact N-OE2 3.39Å; E225-E228 VanDerWaalsContact N-OE2 3.08Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.94Å; K226-E228 PolarHBondContact O-N 2.05Å
229V97.3Very high94.4Very high11 Ų1159.7 Ų59.77%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-136.6136.9173650000109.9V183 T188 P189 L191 T220V183-V229 HydrophobicContact CB-CG1 4.07Å; V183-V229 PolarHBondContact N-O 3.13Å; V183-V229 PolarHBondContact O-N 2.99Å; T188-V229 HydrophobicContact CG2-CB 4.31Å; P189-V229 HydrophobicContact CG-CG1 3.91Å; L191-V229 HydrophobicContact CB-CG1 4.05Å; L191-V229 HydrophobicContact CB-CG2 4.22Å; L191-V229 HydrophobicContact CD2-CG1 4.4Å; L191-V229 HydrophobicContact CD2-CG2 4.46Å; T220-V229 HydrophobicContact CG2-CG2 3.31Å
230T97.3Very high94.4Very high7 Ų761 Ų614%0.04333%0.327CS..EExtended strand (participates in β ladder)trans-119.9131.7174.6-45.10000109.4C181 E182 T220 R221 W232C181-T230 WeakPolarHBondContact O-CA 3.22Å; E182-T230 HydrophobicContact CG-CG2 3.54Å; T220-T230 CarbonylContact C-O 3.56Å; T220-T230 WeakPolarHBondContact CA-O 3.15Å; R221-T230 PolarHBondContact N-O 3.18Å; R221-T230 PolarHBondContact O-N 3.07Å; T230-W232 VanDerWaalsContact CB-CH2 3.42Å; T230-W232 HydrophobicContact CG2-CD2 4.11Å; T230-W232 HydrophobicContact CG2-CE3 4.31Å; T230-W232 HydrophobicContact CG2-CH2 3.45Å; T230-W232 VanDerWaalsContact CG2-CH2 3.45Å; T230-W232 HydrophobicContact CG2-CZ2 3.18Å; T230-W232 HydrophobicContact CG2-CZ3 4Å; T230-W232 VanDerWaalsContact O-CZ3 3.27Å; T230-W232 WeakPolarHBondContact O-CZ3 3.44Å
231G97.4Very high94.2Very high0 Ų064.6 Ų64.60%034%0.344CS..EExtended strand (participates in β ladder)trans-118139.917600000111S180 C181 L191 Q219S180-G231 CarbonylContact C-O 3.54Å; S180-G231 WeakPolarHBondContact CA-O 3.39Å; C181-G231 PolarHBondContact N-O 2.85Å; C181-G231 PolarHBondContact O-N 3.29Å; L191-G231 VanDerWaalsContact CD2-CA 3.49Å; Q219-G231 CarbonylContact O-C 3.57Å; Q219-G231 WeakPolarHBondContact O-CA 3.48Å
232W98Very high94.2Very high78 Ų7857.8 Ų57.830%0.29532%0.319SS..EExtended strand (participates in β ladder)trans-123.6138.3174.6-57.9-94000110.9L179 I218 Q219 R221 T230L179-W232 CarbonylContact O-C 3.04Å; L179-W232 WeakPolarHBondContact O-CA 3.35Å; I218-W232 WeakPolarHBondContact CA-O 2.94Å; Q219-W232 HydrophobicContact CB-CE3 4.38Å; Q219-W232 HydrophobicContact CG-CE3 4.33Å; Q219-W232 PolarHBondContact N-O 3.22Å; Q219-W232 PolarHBondContact O-N 3.47Å; R221-W232 HydrophobicContact CB-CH2 4.07Å; R221-W232 HydrophobicContact CB-CZ3 3.73Å; R221-W232 HydrophobicContact CG-CH2 4.31Å; R221-W232 HydrophobicContact CG-CZ3 3.75Å; T230-W232 VanDerWaalsContact CB-CH2 3.42Å; T230-W232 HydrophobicContact CG2-CD2 4.11Å; T230-W232 HydrophobicContact CG2-CE3 4.31Å; T230-W232 HydrophobicContact CG2-CH2 3.45Å; T230-W232 VanDerWaalsContact CG2-CH2 3.45Å; T230-W232 HydrophobicContact CG2-CZ2 3.18Å; T230-W232 HydrophobicContact CG2-CZ3 4Å; T230-W232 VanDerWaalsContact O-CZ3 3.27Å; T230-W232 WeakPolarHBondContact O-CZ3 3.44Å
233V98.2Very high94.3Very high0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-107.9116.4166.6179.30000106.9Y178 L179 W193 L216 I218 V235Y178-V233 CarbonylContact C-O 3.56Å; Y178-V233 WeakPolarHBondContact CA-O 3.46Å; L179-V233 HydrophobicContact CB-CB 4.28Å; L179-V233 PolarHBondContact N-O 3.45Å; L179-V233 PolarHBondContact O-N 3.19Å; W193-V233 HydrophobicContact CB-CG2 3.9Å; W193-V233 HydrophobicContact CD2-CG2 3.28Å; W193-V233 HydrophobicContact CE3-CG2 3.69Å; W193-V233 HydrophobicContact CG-CG2 3.39Å; W193-V233 HydrophobicContact CZ2-CG2 4.21Å; W193-V233 HydrophobicContact CZ3-CG2 4.29Å; L216-V233 HydrophobicContact CD1-CG1 3.9Å; L216-V233 HydrophobicContact CD2-CG1 4.05Å; L216-V233 HydrophobicContact CG-CG1 3.93Å; I218-V233 HydrophobicContact CG1-CG2 4.19Å; V233-V235 HydrophobicContact CG1-CG2 4.12Å
234L98.1Very high94.9Very high66 Ų6656.7 Ų56.735%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-99.3129.1172.7176.166.2000108.8Q176 L216 A217Q176-L234 HydrophobicContact CG-CD1 3.62Å; L216-L234 CarbonylContact C-O 3.52Å; L216-L234 VanDerWaalsContact CA-O 3.32Å; L216-L234 WeakPolarHBondContact CA-O 3.29Å; A217-L234 PolarHBondContact N-O 2.94Å; A217-L234 PolarHBondContact O-N 3Å
235V98.2Very high95.7Very high1 Ų154 Ų541%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-120.7122.2172.9-171.60000108.9Q176 V177 N215 L216 V233 L238 D242Q176-V235 WeakPolarHBondContact CA-O 3.15Å; V177-V235 HydrophobicContact CG2-CB 3.91Å; V177-V235 HydrophobicContact CG2-CG2 4.43Å; V177-V235 PolarHBondContact N-O 3.36Å; V177-V235 PolarHBondContact O-N 3.19Å; N215-V235 CarbonylContact O-C 3.53Å; N215-V235 WeakPolarHBondContact O-CA 3.5Å; L216-V235 HydrophobicContact CD1-CG2 3.95Å; L216-V235 HydrophobicContact CG-CG2 4.18Å; V233-V235 HydrophobicContact CG1-CG2 4.12Å; V235-L238 HydrophobicContact CB-CD1 4.47Å; V235-L238 HydrophobicContact CG1-CD1 3.96Å; V235-D242 HydrophobicContact CG1-CB 4.1Å
236S97.3Very high96.2Very high48 Ų4847.5 Ų47.534%0.33625%0.25SS..SBendtrans-163.3119.5-175.5-171.10000111.7Q176 N215Q176-S236 PolarHBondContact NE2-OG 3.38Å; N215-S236 PolarHBondContact O-N 2.99Å
237P97.8Very high96.6Very high80 Ų8040.7 Ų40.752%0.51922%0.221SC..SBendcis-73148.3-8.730.6-33.6000111.8N215N215-P237 PolarHBondContact ND2-O 3.28Å
238L97.3Very high96.8Very high2 Ų237.2 Ų37.21%0.0121%0.205CC..  trans-69.7132.5174.1-173.865.2000110.9N171 T173 G174 A175 V177 V235 D242 I263 V265N171-L238 HydrophobicContact CB-CD2 3.81Å; T173-L238 CarbonylContact C-O 3.49Å; T173-L238 WeakPolarHBondContact CA-O 2.96Å; T173-L238 WeakPolarHBondContact CG2-O 3.25Å; G174-L238 PolarHBondContact N-O 3.03Å; A175-L238 VanDerWaalsContact O-CB 3.22Å; A175-L238 WeakPolarHBondContact O-CB 3Å; A175-L238 PolarHBondContact O-N 2.98Å; V177-L238 HydrophobicContact CG1-CD2 4.11Å; V177-L238 HydrophobicContact CG2-CD1 3.94Å; V177-L238 HydrophobicContact CG2-CD2 4.39Å; V235-L238 HydrophobicContact CB-CD1 4.47Å; V235-L238 HydrophobicContact CG1-CD1 3.96Å; L238-D242 HydrophobicContact CD1-CB 3.69Å; L238-I263 HydrophobicContact CD1-CG2 3.99Å; L238-V265 HydrophobicContact CD1-CG2 4.01Å; L238-V265 HydrophobicContact CD2-CG1 4.43Å; L238-V265 HydrophobicContact CD2-CG2 3.86Å; L238-V265 HydrophobicContact CG-CG1 4.5Å; L238-V265 HydrophobicContact CG-CG2 3.82Å
239S96.1Very high96.9Very high35 Ų3537.9 Ų37.925%0.24521%0.208CC..  trans-125.2166.8177.575.90000111.6D241 D242 V265S239-D241 PolarHBondContact O-N 3.16Å; S239-D241 PolarHBondContact OG-N 3.2Å; S239-D242 WeakPolarHBondContact CB-OD2 3.3Å; S239-D242 PolarHBondContact N-OD2 3.48Å; S239-D242 WeakPolarHBondContact O-CB 2.98Å; S239-D242 PolarHBondContact O-N 2.94Å; S239-D242 VanDerWaalsContact O-N 3.1Å; S239-D242 PolarHBondContact OG-OD2 2.04Å; S239-V265 WeakPolarHBondContact O-CG2 3.44Å
240K94.9Very high96.9Very high120 Ų12037.3 Ų37.352%0.52221%0.205SC..G310 helixtrans-61.9-27.8176.1-68.4-169.4176.2-169.50112.8D242 A243 D267K240-D242 PolarHBondContact O-N 3.23Å; K240-A243 VanDerWaalsContact O-CB 3.28Å; K240-A243 WeakPolarHBondContact O-CB 3.48Å; K240-A243 PolarHBondContact O-N 2.85Å; K240-A243 VanDerWaalsContact O-N 3.16Å; K240-D267 WeakPolarHBondContact CE-OD1 3.32Å; K240-D267 IonicContact NZ-OD1 3.04Å; K240-D267 PolarHBondContact NZ-OD1 2.93Å; K240-D267 IonicContact NZ-OD2 2.88Å; K240-D267 PolarHBondContact NZ-OD2 3.35Å
241D93.5Very high97Very high140 Ų14038.6 Ų38.675%0.74921%0.214SC*.G310 helixtrans-71.5-17.9178.2-63.7-29.8000112.7K195 S239 A243K195-D241 PolarHBondContact NZ-O 3.37Å; S239-D241 PolarHBondContact O-N 3.16Å; S239-D241 PolarHBondContact OG-N 3.2Å; D241-A243 VanDerWaalsContact C-N 3.34Å
242D95.4Very high97Very high3 Ų339.8 Ų39.82%0.01622%0.22CC..G310 helixtrans-80.3-15.9173.9-59.1-56.3000112.5K195 N215 V235 L238 S239 K240 G244 Y246K195-D242 VanDerWaalsContact NZ-CA 3.31Å; K195-D242 PolarHBondContact NZ-O 2.54Å; N215-D242 PolarHBondContact ND2-OD1 3.2Å; N215-D242 PolarHBondContact ND2-OD2 2.79Å; V235-D242 HydrophobicContact CG1-CB 4.1Å; L238-D242 HydrophobicContact CD1-CB 3.69Å; S239-D242 WeakPolarHBondContact CB-OD2 3.3Å; S239-D242 PolarHBondContact N-OD2 3.48Å; S239-D242 WeakPolarHBondContact O-CB 2.98Å; S239-D242 PolarHBondContact O-N 2.94Å; S239-D242 VanDerWaalsContact O-N 3.1Å; S239-D242 PolarHBondContact OG-OD2 2.04Å; K240-D242 PolarHBondContact O-N 3.23Å; D242-G244 PolarHBondContact O-N 3.19Å; D242-Y246 VanDerWaalsContact O-CE2 3.28Å; D242-Y246 WeakPolarHBondContact O-CE2 3.34Å; D242-Y246 PolarHBondContact O-OH 3.01Å
243A95.4Very high97Very high41 Ų4140.1 Ų40.134%0.33924%0.235SC..  trans-57.3141.6173.400000110.6K195 K240 D241 I263 V265K195-A243 WeakPolarHBondContact CE-O 3.28Å; K195-A243 PolarHBondContact NZ-O 3.5Å; K240-A243 VanDerWaalsContact O-CB 3.28Å; K240-A243 WeakPolarHBondContact O-CB 3.48Å; K240-A243 PolarHBondContact O-N 2.85Å; K240-A243 VanDerWaalsContact O-N 3.16Å; D241-A243 VanDerWaalsContact C-N 3.34Å; A243-I263 WeakPolarHBondContact CA-O 3.01Å; A243-V265 HydrophobicContact CB-CG2 4.15Å
244G94.8Very high97Very high20 Ų2044.7 Ų44.721%0.20626%0.256CS..EExtended strand (participates in β ladder)trans144.5-174.2-179.500000113.5D242 K262 I263D242-G244 PolarHBondContact O-N 3.19Å; G244-K262 WeakPolarHBondContact O-CA 3.33Å; G244-I263 PolarHBondContact N-O 3Å; G244-I263 PolarHBondContact O-N 3.17Å
245E96.5Very high97Very high67 Ų6743 Ų4331%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-99.7134.7-179.5-179.2171-169.300109.8V196 S260 A261V196-E245 HydrophobicContact CB-CB 4.06Å; V196-E245 HydrophobicContact CB-CG 4.19Å; V196-E245 HydrophobicContact CG2-CB 4.44Å; V196-E245 HydrophobicContact CG2-CG 4.08Å; V196-E245 PolarHBondContact N-O 3.08Å; E245-S260 WeakPolarHBondContact OE1-CB 3.41Å; E245-A261 WeakPolarHBondContact CA-O 3.48Å
246Y97.3Very high97Very high0 Ų049.3 Ų49.30%028%0.284CS..EExtended strand (participates in β ladder)trans-121.7126.5-176.2-71.8-105.4000107.8L179 N194 K195 L209 L216 D242 S260 A261 I263L179-Y246 HydrophobicContact CD1-CD1 3.99Å; L179-Y246 HydrophobicContact CD1-CD2 4.15Å; L179-Y246 HydrophobicContact CD1-CG 3.58Å; N194-Y246 CarbonylContact O-C 3.59Å; N194-Y246 WeakPolarHBondContact O-CA 3.46Å; K195-Y246 HydrophobicContact CD-CE1 4.3Å; K195-Y246 HydrophobicContact CD-CE2 4.42Å; K195-Y246 HydrophobicContact CG-CE1 4.49Å; K195-Y246 PolarHBondContact NZ-OH 2.86Å; K195-Y246 VanDerWaalsContact NZ-OH 3.17Å; L209-Y246 HydrophobicContact CD1-CD1 3.56Å; L209-Y246 HydrophobicContact CD1-CE1 3.75Å; L216-Y246 HydrophobicContact CD1-CE1 4.26Å; D242-Y246 VanDerWaalsContact O-CE2 3.28Å; D242-Y246 WeakPolarHBondContact O-CE2 3.34Å; D242-Y246 PolarHBondContact O-OH 3.01Å; Y246-S260 CarbonylContact O-C 3.49Å; Y246-S260 WeakPolarHBondContact O-CA 3.38Å; Y246-A261 PolarHBondContact N-O 3.48Å; Y246-A261 PolarHBondContact O-N 3.39Å; Y246-I263 HydrophobicContact CD2-CB 4.39Å; Y246-I263 HydrophobicContact CD2-CD1 3.93Å; Y246-I263 HydrophobicContact CD2-CG1 4.08Å; Y246-I263 HydrophobicContact CE2-CB 4.06Å; Y246-I263 HydrophobicContact CE2-CD1 3.66Å; Y246-I263 HydrophobicContact CE2-CG1 4.04Å
247E97.8Very high97Very high39 Ų3948.1 Ų48.118%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-111.2127-178.3179.5-173.864.800109.2W193 N194 V196 A259W193-E247 CarbonylContact C-O 3.56Å; W193-E247 WeakPolarHBondContact CA-O 3.36Å; N194-E247 HydrophobicContact CB-CB 4.43Å; N194-E247 PolarHBondContact N-O 3.13Å; N194-E247 PolarHBondContact ND2-OE1 2.88Å; N194-E247 PolarHBondContact O-N 3.29Å; V196-E247 HydrophobicContact CG2-CB 4.04Å; E247-A259 CarbonylContact C-O 3.59Å; E247-A259 WeakPolarHBondContact CA-O 3.4Å
248C97.8Very high97.1Very high1 Ų147 Ų471%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-88126.8159.663.10000108.6C181 L191 W193 S258 A259C181-C248 HydrophobicContact CB-CB 3.42Å; C181-C248 VanDerWaalsContact CB-CB 3.42Å; C181-C248 WeakPolarHBondContact CB-SG 3.47Å; C181-C248 WeakPolarHBondContact SG-CB 3.01Å; C181-C248 CovalentContact SG-SG 2.05Å; C181-C248 PolarHBondContact SG-SG 3.18Å; L191-C248 HydrophobicContact CD1-CB 4.08Å; W193-C248 HydrophobicContact CD2-CB 4Å; W193-C248 HydrophobicContact CE3-CB 3.87Å; W193-C248 HydrophobicContact CH2-CB 3.8Å; W193-C248 HydrophobicContact CZ2-CB 3.92Å; W193-C248 HydrophobicContact CZ3-CB 3.77Å; C248-S258 WeakPolarHBondContact O-CA 3.43Å; C248-A259 PolarHBondContact N-O 3.37Å; C248-A259 PolarHBondContact O-N 3.35Å; C248-A259 PolarHBondContact SG-O 2.86Å
249H98.1Very high97.1Very high36 Ų3647.7 Ų47.717%0.16728%0.277CS..EExtended strand (participates in β ladder)trans-119.9123.9177.8171.6-76.8000109.2I192 S258I192-H249 HydrophobicContact CD1-CB 4.32Å; I192-H249 HydrophobicContact CG1-CB 3.87Å; I192-H249 VanDerWaalsContact CG1-O 3.31Å; I192-H249 WeakPolarHBondContact CG1-O 3.41Å; I192-H249 PolarHBondContact N-O 3Å; I192-H249 PolarHBondContact O-N 2.89Å; H249-S258 PolarHBondContact CD2-OG 2.91Å; H249-S258 VanDerWaalsContact CD2-OG 3.24Å
250A98.4Very high97.1Very high0 Ų048.3 Ų48.30%028%0.281CS..EExtended strand (participates in β ladder)trans-115.6139.3-179.800000111.4P160 V183 P189 V190 L191 Q256 A257P160-A250 HydrophobicContact CB-CB 3.83Å; P160-A250 HydrophobicContact CG-CB 4.43Å; V183-A250 HydrophobicContact CB-CB 4.25Å; V183-A250 HydrophobicContact CG1-CB 3.61Å; V183-A250 HydrophobicContact CG2-CB 4.06Å; P189-A250 HydrophobicContact CB-CB 4.25Å; V190-A250 VanDerWaalsContact O-CA 3.31Å; V190-A250 WeakPolarHBondContact O-CA 3.44Å; L191-A250 HydrophobicContact CD1-CB 4.07Å; A250-Q256 CarbonylContact O-C 3.47Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; A250-A257 PolarHBondContact N-O 2.86Å; A250-A257 PolarHBondContact O-N 2.85Å
251S98.3Very high97.3Very high34 Ų3442.7 Ų42.724%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-142.9140.2-178-167.20000112P189 V190 G255 Q256P189-S251 CarbonylContact C-O 3.02Å; P189-S251 VanDerWaalsContact CA-O 3.32Å; P189-S251 WeakPolarHBondContact CA-O 3.45Å; V190-S251 PolarHBondContact N-O 2.96Å; V190-S251 PolarHBondContact O-N 2.8Å; S251-G255 WeakPolarHBondContact CA-O 3.46Å; S251-Q256 VanDerWaalsContact OG-CG 3.31Å; S251-Q256 WeakPolarHBondContact OG-CG 3.21Å; S251-Q256 PolarHBondContact OG-NE2 2.81Å
252N98.1Very high97.5Very high24 Ų2441.4 Ų41.413%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-139.9-171.3164.671.55.2000110.4Q158 P160 I186 P187 P189 Q254 G255Q158-N252 PolarHBondContact O-ND2 3.32Å; P160-N252 WeakPolarHBondContact CD-OD1 3.08Å; P160-N252 HydrophobicContact CG-CB 4.47Å; I186-N252 PolarHBondContact N-ND2 2.89Å; P187-N252 WeakPolarHBondContact O-CB 3.43Å; P187-N252 PolarHBondContact O-ND2 2.98Å; P189-N252 HydrophobicContact CB-CB 4.28Å; N252-Q254 PolarHBondContact O-N 2.05Å; N252-Q254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.46Å; N252-Q254 PolarHBondContact OD1-N 2.94Å; N252-G255 PolarHBondContact N-O 3.46Å; N252-G255 PolarHBondContact O-N 3.43Å; N252-G255 PolarHBondContact OD1-N 3.14Å; N252-G255 VanDerWaalsContact OD1-N 3.12Å
253S97.8Very high97.5Very high86 Ų8641.3 Ų41.360%0.60124%0.244SC*.THydrogen-bonded Turntrans-65.3-16.2178.950.80000114.3P187P187-S253 VanDerWaalsContact CD-OG 3.31Å; P187-S253 WeakPolarHBondContact CD-OG 3.39Å
254Q97.9Very high97.6Very high96 Ų9640.6 Ų40.645%0.44924%0.236SC..THydrogen-bonded Turntrans-101.8-9.3-176.5-61.7-55.6-41.600113.4E157 N252E157-Q254 HydrophobicContact CB-CG 3.7Å; E157-Q254 PolarHBondContact OE2-NE2 2.94Å; N252-Q254 PolarHBondContact O-N 2.05Å; N252-Q254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.46Å; N252-Q254 PolarHBondContact OD1-N 2.94Å
255G98.1Very high97.7Very high30 Ų3040.8 Ų40.831%0.30923%0.233SC..EExtended strand (participates in β ladder)trans155.1-162.6176.200000114.5P160 S251 N252P160-G255 VanDerWaalsContact CD-O 3.23Å; P160-G255 WeakPolarHBondContact CD-O 2.99Å; P160-G255 WeakPolarHBondContact CG-O 3.48Å; S251-G255 WeakPolarHBondContact CA-O 3.46Å; N252-G255 PolarHBondContact N-O 3.46Å; N252-G255 PolarHBondContact O-N 3.43Å; N252-G255 PolarHBondContact OD1-N 3.14Å; N252-G255 VanDerWaalsContact OD1-N 3.12Å
256Q98.4Very high97.6Very high134 Ų13438 Ų3863%0.62622%0.22SC*.EExtended strand (participates in β ladder)trans-139.1151.3-176.1-67.9177-19.100111A250 S251A250-Q256 CarbonylContact O-C 3.47Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; S251-Q256 VanDerWaalsContact OG-CG 3.31Å; S251-Q256 WeakPolarHBondContact OG-CG 3.21Å; S251-Q256 PolarHBondContact OG-NE2 2.81Å
257A98.4Very high97.2Very high22 Ų2243.4 Ų43.418%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-145.8143.917100000110.5P160 I162 A250P160-A257 HydrophobicContact CB-CB 4.13Å; P160-A257 WeakPolarHBondContact O-CB 3.43Å; I162-A257 HydrophobicContact CD1-CB 4.19Å; I162-A257 HydrophobicContact CG1-CB 4.05Å; A250-A257 PolarHBondContact N-O 2.86Å; A250-A257 PolarHBondContact O-N 2.85Å
258S98Very high96.8Very high56 Ų5642.9 Ų42.939%0.39225%0.252SS..EExtended strand (participates in β ladder)trans-132.7148.3177.8-62.40000112.3I162 C248 H249I162-S258 WeakPolarHBondContact CD1-O 3.3Å; C248-S258 WeakPolarHBondContact O-CA 3.43Å; H249-S258 PolarHBondContact CD2-OG 2.91Å; H249-S258 VanDerWaalsContact CD2-OG 3.24Å
259A98.1Very high96.3Very high18 Ų1848.6 Ų48.615%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-142.4147.716800000110.4I162 P165 E247 C248I162-A259 HydrophobicContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-CB 3.45Å; I162-A259 VanDerWaalsContact CD1-N 3.28Å; I162-A259 HydrophobicContact CG2-CB 4.16Å; P165-A259 HydrophobicContact CB-CB 3.78Å; E247-A259 CarbonylContact C-O 3.59Å; E247-A259 WeakPolarHBondContact CA-O 3.4Å; C248-A259 PolarHBondContact N-O 3.37Å; C248-A259 PolarHBondContact O-N 3.35Å; C248-A259 PolarHBondContact SG-O 2.86Å
260S97.3Very high95.8Very high47 Ų4754.6 Ų54.633%0.32931%0.309SS..EExtended strand (participates in β ladder)trans-122.2152.1-174.3-59.20000112.4E245 Y246E245-S260 WeakPolarHBondContact OE1-CB 3.41Å; Y246-S260 CarbonylContact O-C 3.49Å; Y246-S260 WeakPolarHBondContact O-CA 3.38Å
261A97.8Very high95.3Very high2 Ų258.9 Ų58.92%0.01733%0.329CS..EExtended strand (participates in β ladder)trans-141.2153.9169.700000110.9P166 D168 L179 E245 Y246P166-A261 HydrophobicContact CB-CB 3.58Å; P166-A261 HydrophobicContact CG-CB 3.82Å; D168-A261 WeakPolarHBondContact OD1-CA 3.46Å; L179-A261 HydrophobicContact CD2-CB 4.06Å; E245-A261 WeakPolarHBondContact CA-O 3.48Å; Y246-A261 PolarHBondContact N-O 3.48Å; Y246-A261 PolarHBondContact O-N 3.39Å
262K97.2Very high94.8Very high113 Ų11359.6 Ų59.649%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-106.4127.2-179.5-167.9176.8179.4-175.40111.8D168 I169 G244D168-K262 VanDerWaalsContact CA-O 3.32Å; D168-K262 WeakPolarHBondContact CA-O 3.3Å; D168-K262 PolarHBondContact OD1-N 2.9Å; I169-K262 PolarHBondContact N-O 2.83Å; G244-K262 WeakPolarHBondContact O-CA 3.33Å
263I97.2Very high94.3Very high2 Ų261.9 Ų61.91%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-91.9121.7165.1-65.6175.6000108V177 L179 L238 A243 G244 Y246 V265V177-I263 HydrophobicContact CG2-CD1 4.36Å; L179-I263 HydrophobicContact CD1-CD1 3.93Å; L179-I263 HydrophobicContact CD1-CG1 4.3Å; L179-I263 HydrophobicContact CD2-CG1 4.35Å; L179-I263 HydrophobicContact CG-CD1 4.17Å; L179-I263 HydrophobicContact CG-CG1 4.5Å; L238-I263 HydrophobicContact CD1-CG2 3.99Å; A243-I263 WeakPolarHBondContact CA-O 3.01Å; G244-I263 PolarHBondContact N-O 3Å; G244-I263 PolarHBondContact O-N 3.17Å; Y246-I263 HydrophobicContact CD2-CB 4.39Å; Y246-I263 HydrophobicContact CD2-CD1 3.93Å; Y246-I263 HydrophobicContact CD2-CG1 4.08Å; Y246-I263 HydrophobicContact CE2-CB 4.06Å; Y246-I263 HydrophobicContact CE2-CD1 3.66Å; Y246-I263 HydrophobicContact CE2-CG1 4.04Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å
264T96.7Very high93.4Very high25 Ų2564.4 Ų64.415%0.15336%0.358CS..EExtended strand (participates in β ladder)trans-112.7123.4175.1-53.20000108.9I169 W170 N171 V266I169-T264 PolarHBondContact O-N 2.83Å; W170-T264 WeakPolarHBondContact CA-O 3.39Å; W170-T264 HydrophobicContact CD2-CG2 3.85Å; W170-T264 HydrophobicContact CE3-CG2 3.72Å; W170-T264 HydrophobicContact CH2-CG2 4.08Å; W170-T264 HydrophobicContact CZ2-CG2 4.16Å; W170-T264 HydrophobicContact CZ3-CG2 3.85Å; N171-T264 PolarHBondContact N-O 3.31Å; T264-V266 HydrophobicContact CG2-CG1 4.36Å
265V96.6Very high92.1Very high24 Ų2468.5 Ų68.515%0.14537%0.374CS..EExtended strand (participates in β ladder)trans-104.5117.2177.6-171.10000108.4N171 L238 S239 A243 I263N171-V265 CarbonylContact O-C 3.56Å; N171-V265 VanDerWaalsContact O-CA 3.27Å; N171-V265 WeakPolarHBondContact O-CA 3.05Å; L238-V265 HydrophobicContact CD1-CG2 4.01Å; L238-V265 HydrophobicContact CD2-CG1 4.43Å; L238-V265 HydrophobicContact CD2-CG2 3.86Å; L238-V265 HydrophobicContact CG-CG1 4.5Å; L238-V265 HydrophobicContact CG-CG2 3.82Å; S239-V265 WeakPolarHBondContact O-CG2 3.44Å; A243-V265 HydrophobicContact CB-CG2 4.15Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å
266V94.5Very high89.9Confident9 Ų976.7 Ų76.76%0.05540%0.401CS..EExtended strand (participates in β ladder)trans-103158179.2-67.60000111W170 N171 V172 T264 A268 E271 I272W170-V266 HydrophobicContact CE3-CG1 3.61Å; W170-V266 HydrophobicContact CZ3-CG1 3.84Å; N171-V266 PolarHBondContact O-N 2.69Å; V172-V266 WeakPolarHBondContact CA-O 3Å; V172-V266 HydrophobicContact CG1-CG2 3.94Å; T264-V266 HydrophobicContact CG2-CG1 4.36Å; V266-A268 WeakPolarHBondContact CG2-O 3.27Å; V266-E271 HydrophobicContact CB-CB 3.88Å; V266-E271 WeakPolarHBondContact CB-OE2 3.27Å; V266-E271 HydrophobicContact CG1-CB 3.83Å; V266-E271 HydrophobicContact CG2-CB 4.3Å; V266-I272 HydrophobicContact CG2-CD1 4.37Å; V266-I272 HydrophobicContact CG2-CG1 3.73Å
267D89.5Confident87.5Confident114 Ų11473.6 Ų73.661%0.6141%0.405SS*.SBendtrans-79.5-28.5180-73-36.8000111.8K240K240-D267 WeakPolarHBondContact CE-OD1 3.32Å; K240-D267 IonicContact NZ-OD1 3.04Å; K240-D267 PolarHBondContact NZ-OD1 2.93Å; K240-D267 IonicContact NZ-OD2 2.88Å; K240-D267 PolarHBondContact NZ-OD2 3.35Å
268A88.5Confident85Confident28 Ų2881.9 Ų81.923%0.23144%0.44CS..SBendtrans-138.1148.8-179.900000113V266 H270 E271V266-A268 WeakPolarHBondContact CG2-O 3.27Å; A268-H270 PolarHBondContact O-N 2.05Å; A268-H270 VanDerWaalsContact O-N 3.16Å; A268-E271 WeakPolarHBondContact O-CB 3.5Å; A268-E271 PolarHBondContact O-N 3.43Å; A268-E271 VanDerWaalsContact O-N 3.11Å
269L87.4Confident82.3Confident121 Ų12182.7 Ų82.763%0.63446%0.457SS*.G310 helixtrans-59.5-28.2-179.1-70173.1000113.7V172 E271 I272V172-L269 HydrophobicContact CG1-CD2 3.9Å; V172-L269 HydrophobicContact CG1-CG 4.23Å; V172-L269 HydrophobicContact CG2-CD2 4.11Å; L269-E271 PolarHBondContact O-N 2.04Å; L269-I272 HydrophobicContact CD2-CD1 3.89Å; L269-I272 WeakPolarHBondContact O-CB 3.39Å; L269-I272 WeakPolarHBondContact O-CG1 3.04Å; L269-I272 PolarHBondContact O-N 3.43Å
270H88.1Confident79.6Confident161 Ų16186.2 Ų86.275%0.74549%0.486SS*.G310 helixtrans-71.3-13.3-179.865.552.3000113.6A268 I272A268-H270 PolarHBondContact O-N 2.05Å; A268-H270 VanDerWaalsContact O-N 3.16Å; H270-I272 VanDerWaalsContact C-N 3.29Å
271E86.9Confident76.8Confident90 Ų9093.4 Ų93.442%0.42152%0.515SS..G310 helixtrans-83.4-9.3177.7-58.3-179.3-175.900112.3V266 A268 L269 P273V266-E271 HydrophobicContact CB-CB 3.88Å; V266-E271 WeakPolarHBondContact CB-OE2 3.27Å; V266-E271 HydrophobicContact CG1-CB 3.83Å; V266-E271 HydrophobicContact CG2-CB 4.3Å; A268-E271 WeakPolarHBondContact O-CB 3.5Å; A268-E271 PolarHBondContact O-N 3.43Å; A268-E271 VanDerWaalsContact O-N 3.11Å; L269-E271 PolarHBondContact O-N 2.04Å; E271-P273 WeakPolarHBondContact O-CD 3.31Å
272I88.3Confident74.1Confident49 Ų49104.6 Ų104.625%0.25157%0.573SS.*SBendtrans-72.2122.4179.4-61177.9000109.1W170 V266 L269 H270 V274W170-I272 HydrophobicContact CB-CB 4.48Å; W170-I272 HydrophobicContact CB-CG1 4.29Å; W170-I272 HydrophobicContact CB-CG2 3.91Å; V266-I272 HydrophobicContact CG2-CD1 4.37Å; V266-I272 HydrophobicContact CG2-CG1 3.73Å; L269-I272 HydrophobicContact CD2-CD1 3.89Å; L269-I272 WeakPolarHBondContact O-CB 3.39Å; L269-I272 WeakPolarHBondContact O-CG1 3.04Å; L269-I272 PolarHBondContact O-N 3.43Å; H270-I272 VanDerWaalsContact C-N 3.29Å; I272-V274 PolarHBondContact O-N 3.49Å
273P87.2Confident73Confident73 Ų73104.2 Ų104.247%0.47458%0.577SS.*  trans-60.5123177.3-22.131.5000111.2W170 E271 K275W170-P273 HydrophobicContact CD2-CG 3.83Å; W170-P273 HydrophobicContact CE3-CG 3.96Å; W170-P273 HydrophobicContact CG-CG 4.45Å; W170-P273 HydrophobicContact CH2-CG 3.92Å; W170-P273 HydrophobicContact CZ2-CG 3.82Å; W170-P273 HydrophobicContact CZ3-CG 4Å; E271-P273 WeakPolarHBondContact O-CD 3.31Å; P273-K275 PolarHBondContact O-N 2.86Å
274V79.8Confident71.7Confident139 Ų139109.5 Ų109.584%0.84261%0.607SS**  trans-75.8108.8171.7-172.80000107.9I272 K276I272-V274 PolarHBondContact O-N 3.49Å; V274-K276 PolarHBondContact O-N 3.47Å
275K69.3Low70.3Confident181 Ų181114.2 Ų114.279%0.78763%0.632SS**  trans-61.9107.6170.3-81-172.7175.3-178.80108.7P273 G277P273-K275 PolarHBondContact O-N 2.86Å; K275-G277 PolarHBondContact O-N 3.25Å
276K51.9Low68.8Low203 Ų203119.5 Ų119.588%0.88366%0.66SS**  trans-67.1112.1167.6-148.9177.2-173.5-177.90106.1V274 E278V274-K276 PolarHBondContact O-N 3.47Å; K276-E278 PolarHBondContact O-N 3.15Å
277G48.7Very low67.2Low68 Ų68126.4 Ų126.470%0.70170%0.698SS**  trans-53129.1-172.400000111.9K275 G279K275-G277 PolarHBondContact O-N 3.25Å; G277-G279 PolarHBondContact O-N 3.06Å
278E46.9Very low65.7Low197 Ų197127.3 Ų127.392%0.92170%0.704SS**  trans-57.2109.7154.8-82.7169.2113.700106.4K276 A280K276-E278 PolarHBondContact O-N 3.15Å; E278-A280 PolarHBondContact O-N 2.92Å; E278-A280 VanDerWaalsContact O-N 3.15Å
279G39.8Very low64.1Low73 Ų73134.4 Ų134.475%0.75374%0.738SS**  trans-59.4116.8172.400000108.1G277 E281G277-G279 PolarHBondContact O-N 3.06Å; G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.14Å
280A41.9Very low62.3Low92 Ų92135.4 Ų135.476%0.7675%0.746SS**  trans-60.3104.2158.400000106.7E278 L282E278-A280 PolarHBondContact O-N 2.92Å; E278-A280 VanDerWaalsContact O-N 3.15Å; A280-L282 PolarHBondContact O-N 3.37Å
281E39.1Very low60.1Low198 Ų198133.3 Ų133.393%0.92575%0.746SS**  trans-65.3111.8162.7-157.517013400106.1G279G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.14Å
282L41.7Very low57.7Low236 Ų236137.2 Ų137.2100%1.23678%0.776SS**  trans-79.50174.1-76.1168.4000110.4A280A280-L282 PolarHBondContact O-N 3.37Å

Retrieved 282 of 282 residues in 420.7 ms (Link to these results)