A0A077YX32_TRITR Loading...

TATA box binding protein 2

AlphaFold DB , UniProt , Accession A0A077YX32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M37.8Very low33.8Very low235 Ų235162 Ų162100%1.15882%0.819SS**  078.80-60.7-154.1-83.700107.3
2S32.6Very low34Very low98 Ų98155.6 Ų155.669%0.68579%0.787SS**  78.191.983.964.50000112.6
3H36.4Very low33.8Very low184 Ų184146.8 Ų146.885%0.85275%0.753SS**  165107.1111-98.3-86.8000111
4Q32.2Very low33.8Very low176 Ų176140.9 Ų140.982%0.82275%0.746SS**  trans-65.3144.4155.2-80.9163.2-52.600109.6
5A38.2Very low33.6Very low104 Ų104141 Ų14186%0.8675%0.754SS**  trans-128.3101.9159.600000108.9
6Q31.1Very low33.4Very low172 Ų172142.1 Ų142.180%0.80476%0.758SS**  trans-77.8145.9164.2-72.9170-46.800109.3
7F34.1Very low33Very low215 Ų215139.2 Ų139.294%0.94375%0.751SS**  trans-137.6138.1158.6-135.2-90.7000111.8
8Q33.6Very low32.6Very low163 Ų163136.8 Ų136.876%0.76275%0.747SS**  trans-82.3143.1-159.5-70.1-165.3-33.200115.1
9L27.9Very low32.7Very low156 Ų156136.4 Ų136.482%0.81775%0.749SS**  trans-88.6122.8158.8-91.4151.5000109.1
10Q36.7Very low32.7Very low170 Ų170135.7 Ų135.779%0.79475%0.748SS**  trans-108.6138.7164.9-94.1-173-14.400110.8
11Q31.1Very low32.6Very low109 Ų109135.4 Ų135.451%0.50975%0.753SS.*  trans-122.3129.2-167.1-141.6-167.944.800105.5L36Q11-L36 VanDerWaalsContact C-CD1 3.42Å; Q11-L36 HydrophobicContact CB-CD1 3.4Å; Q11-L36 HydrophobicContact CG-CD1 3.35Å; Q11-L36 HydrophobicContact CG-CD2 4.29Å; Q11-L36 WeakPolarHBondContact O-CB 3.41Å
12I36.6Very low32.5Very low85 Ų85128.3 Ų128.344%0.43673%0.731SS.*  trans-140.2126176.9-66.5168.1000117.2Y34 T35 L36I12-Y34 WeakPolarHBondContact CD1-O 3.47Å; I12-Y34 HydrophobicContact CG2-CG 4.26Å; I12-T35 VanDerWaalsContact CG2-N 3.34Å; I12-L36 VanDerWaalsContact CA-CG 3.42Å; I12-L36 HydrophobicContact CB-CB 4.25Å; I12-L36 VanDerWaalsContact N-CD2 3.29Å; I12-L36 WeakPolarHBondContact O-CD2 3.41Å
13A31Very low32.4Very low42 Ų42132 Ų13235%0.34774%0.738SS.*  trans-144.1144.1-165.700000111.9L36 V37A13-L36 VanDerWaalsContact CA-CG 3.46Å; A13-L36 HydrophobicContact CB-CB 3.87Å; A13-L36 HydrophobicContact CB-CD1 4.44Å; A13-L36 HydrophobicContact CB-CD2 3.06Å; A13-L36 HydrophobicContact CB-CG 3.07Å; A13-L36 VanDerWaalsContact O-CA 3.22Å; A13-L36 WeakPolarHBondContact O-CA 3.43Å; A13-V37 PolarHBondContact O-N 2.96Å
14G33.7Very low32.4Very low64 Ų64131.3 Ų131.366%0.6674%0.74SS**  trans160.1100.516300000105.4
15V31Very low32.6Very low142 Ų142134.1 Ų134.186%0.86174%0.743SS**  45.1114.296.8-171.20000112.9
16I30.1Very low32.3Very low159 Ų159135 Ų13582%0.81574%0.739SS**  trans163.2101.1150.4-83.6154.6000104.5
17S26.5Very low32.6Very low92 Ų92132 Ų13264%0.64374%0.738SS**  58.3120.992.8-170.20000113.2
18S27.1Very low32.7Very low97 Ų97126.7 Ų126.768%0.67873%0.727SS**  trans49.712814961.80000118.6
19V33.1Very low32.8Very low128 Ų128126.5 Ų126.578%0.77673%0.73SS**  156.3110.6127.1165.60000110
20V32.8Very low33.1Very low122 Ų122130.3 Ų130.374%0.73973%0.733SS**  trans10.9128.1132.6-169.30000116.8
21P30.5Very low33Very low130 Ų130127.2 Ų127.284%0.84473%0.728SS**  trans-97.9125.2167.233.2-23.7000111.4
22A35.3Very low32.9Very low86 Ų86128.9 Ų128.971%0.71174%0.74SS**  trans-131.9120.3157.600000109
23E32.4Very low32.7Very low177 Ų177132.3 Ų132.383%0.82776%0.758SS**  trans47115.6146.1-80175.1155.300121.2
24L35.8Very low32.6Very low169 Ų169139.5 Ų139.589%0.88578%0.777SS**  161.9160.9111.7-88.8142.6000113.2
25R37Very low32.4Very low235 Ų235141.8 Ų141.889%0.88778%0.779SS**  trans-69.1170-156.4-78-177.8-177.1-1701.9117.6
26P31.9Very low32.3Very low121 Ų121137.3 Ų137.379%0.78675%0.75SS**  trans-101.7146.4-160.337.3-29000114.6
27S36.3Very low32.4Very low111 Ų111135.5 Ų135.578%0.77675%0.746SS**  trans-164.7135.7148.151.20000112.8
28S36.8Very low32.6Very low102 Ų102140.3 Ų140.371%0.71375%0.75SS**  trans69.3110.6150.659.90000123
29I35.4Very low32.9Very low160 Ų160142.3 Ų142.382%0.82175%0.752SS**  78.999.6126.8-54.7165.8000119.9
30R34Very low32.9Very low235 Ų235142.2 Ų142.289%0.88775%0.754SS**  trans19.8162.8137.6-55.2-168.7177.6-141.72.3122.5
31P33.8Very low32.9Very low106 Ų106141.9 Ų141.969%0.68876%0.756SS**  -140.1176.3-58.640.9-21.9000114.5
32N29.8Very low33Very low143 Ų143145.1 Ų145.177%0.76576%0.757SS**  trans70.3123.2158.5-72.5-11.7000121.3
33I33.2Very low32.9Very low157 Ų157146.1 Ų146.181%0.80575%0.754SS**  -178.6133110.5-83.6150.4000108
34Y28Very low33.2Very low193 Ų193144.7 Ų144.776%0.75775%0.752SS**  trans-120.4162.4168.8-68.9-95.4000109.3I12I12-Y34 WeakPolarHBondContact CD1-O 3.47Å; I12-Y34 HydrophobicContact CG2-CG 4.26Å
35T30.2Very low33.2Very low113 Ų113143.8 Ų143.869%0.69375%0.748SS**  trans-135.6134.1168.7-58.10000112I12I12-T35 VanDerWaalsContact CG2-N 3.34Å
36L28.6Very low33Very low47 Ų47136.4 Ų136.425%0.24674%0.737CS.*  trans-86.4146.3170.6-138.2-167.8000109.5Q11 I12 A13Q11-L36 VanDerWaalsContact C-CD1 3.42Å; Q11-L36 HydrophobicContact CB-CD1 3.4Å; Q11-L36 HydrophobicContact CG-CD1 3.35Å; Q11-L36 HydrophobicContact CG-CD2 4.29Å; Q11-L36 WeakPolarHBondContact O-CB 3.41Å; I12-L36 VanDerWaalsContact CA-CG 3.42Å; I12-L36 HydrophobicContact CB-CB 4.25Å; I12-L36 VanDerWaalsContact N-CD2 3.29Å; I12-L36 WeakPolarHBondContact O-CD2 3.41Å; A13-L36 VanDerWaalsContact CA-CG 3.46Å; A13-L36 HydrophobicContact CB-CB 3.87Å; A13-L36 HydrophobicContact CB-CD1 4.44Å; A13-L36 HydrophobicContact CB-CD2 3.06Å; A13-L36 HydrophobicContact CB-CG 3.07Å; A13-L36 VanDerWaalsContact O-CA 3.22Å; A13-L36 WeakPolarHBondContact O-CA 3.43Å
37V31.7Very low33.3Very low122 Ų122137.5 Ų137.574%0.73974%0.741SS**  trans-127137.4143.9-177.80000110A13A13-V37 PolarHBondContact O-N 2.96Å
38R30.8Very low33.3Very low193 Ų193137.5 Ų137.573%0.72874%0.741SS**  trans-78.2149.6-175-113.8175.4172.5155.4-4.1113
39I34.1Very low33.4Very low139 Ų139138.8 Ų138.871%0.71375%0.747SS**  trans-84.7163.8168.2-53.8158.6000109.9
40P32Very low33.4Very low126 Ų126136.7 Ų136.782%0.81875%0.747SS**  trans-124.2128140.633.1-20.6000112.6
41C32.7Very low33.5Very low115 Ų115134.4 Ų134.478%0.77775%0.746SS**PPolyproline II helixtrans-92.8135.9165.6-57.10000108.8
42F33.3Very low33.6Very low198 Ų198133.6 Ų133.687%0.86875%0.748SS**PPolyproline II helixtrans-78.4139.1-179.8-145.8-99.4000111.4
43V33.6Very low33.7Very low107 Ų107132.4 Ų132.465%0.64875%0.751SS**PPolyproline II helixtrans-92.5146.7173.7175.40000108.3
44N38.2Very low33.6Very low147 Ų147130.8 Ų130.879%0.78675%0.748SS**  trans-149.8127.4141.5-97.6-17.4000112.2
45N36.3Very low33.8Very low149 Ų149131.1 Ų131.180%0.79776%0.757SS**  trans-41.1173.2162.6-75.8-18.3000114
46A33.1Very low33.6Very low81 Ų81131 Ų13167%0.66976%0.756SS**  cis175.4169.1-21.900000104.5
47V38.5Very low33.8Very low144 Ų144136.6 Ų136.687%0.87378%0.784SS**  trans96.5130.1160.6-168.30000117.9
48S34.9Very low33.7Very low110 Ų110138.5 Ų138.577%0.76979%0.785SS**  trans-108-175.3-177.7-34.50000111.3
49P38.8Very low33.9Very low129 Ų129136.1 Ų136.184%0.83879%0.791SS**  -117.3171-122.833.8-13.1000116.1
50S35.9Very low33.9Very low116 Ų116135.7 Ų135.781%0.81179%0.789SS**  trans-157.7153.9158.962.50000113.7
51H35.5Very low34.2Very low188 Ų188135.4 Ų135.487%0.8779%0.79SS**  trans-32147.7-177.7-65.2-96.1000121.2
52A35.4Very low34.3Very low89 Ų89133.2 Ų133.274%0.73679%0.787SS**  142.4133.611200000116
53S32.8Very low34.4Very low118 Ų118129.7 Ų129.783%0.82578%0.784SS**  trans84106.4140.9-54.30000122.9
54T30.3Very low34.4Very low123 Ų123130.5 Ų130.576%0.75579%0.79SS**  trans-15.2139.8145.9-47.80000120V56T54-V56 HydrophobicContact CG2-CG2 4.34Å
55Q33.7Very low34.3Very low200 Ų200132 Ų13294%0.93579%0.792SS**  trans-150.6146.3132-72.5-157.8-4.300112.1
56V25.9Very low34.1Very low110 Ų110129.6 Ų129.667%0.66779%0.792SS**  trans-104.5145.4-169.3170.40000110.5T54T54-V56 HydrophobicContact CG2-CG2 4.34Å
57I33.2Very low34.2Very low164 Ų164131.3 Ų131.384%0.84180%0.8SS**  trans-139.4120154.9-59.9-178.6000109.7
58Q28.9Very low34.1Very low163 Ų163131.9 Ų131.976%0.76280%0.797SS**  trans-97.6145.5165.7-84.5-176.3-65.800109.9
59V35.3Very low34.3Very low142 Ų142133.4 Ų133.486%0.86180%0.801SS**  trans-132.2138.5156.3-1770000109.3
60I34.3Very low33.9Very low131 Ų131133.8 Ų133.867%0.67280%0.802SS**  trans-103.1156.4-160.4-69.1159000112.1
61S38.2Very low34Very low119 Ų119133.8 Ų133.883%0.83280%0.802SS**  trans75.6141.2151.558.90000119.9
62G34Very low34Very low70 Ų70131 Ų13172%0.72280%0.8SS**  cis-170.71731.900000110.3
63P34.9Very low33.9Very low123 Ų123132.1 Ų132.180%0.79980%0.803SS**  trans-102.2164.9-16738.6-31.6000113.4
64T34.9Very low33.9Very low125 Ų125132.1 Ų132.177%0.76780%0.8SS**  trans-174.9128.1147.5-70.20000112.6
65E35.4Very low34.2Very low179 Ų179131 Ų13184%0.83680%0.803SS**  trans39.2118.7150.3-67.2171.3150.300121.9
66A33Very low34.1Very low97 Ų97130.1 Ų130.180%0.80280%0.799SS**  83.6112.671.600000114.4
67S34.8Very low34.6Very low118 Ų118131 Ų13183%0.82580%0.804SS**  176.6152.2121.1-152.30000112.8
68L35.5Very low34.7Very low156 Ų156129.2 Ų129.282%0.81780%0.8SS**  trans-73147.9-166.1-66.373.2000114.9
69V39.1Very low35.1Very low142 Ų142127.2 Ų127.286%0.86180%0.799SS**  trans-151.8131.5130.8-162.90000111.2
70T32Very low34.8Very low137 Ų137127.6 Ų127.684%0.8480%0.796SS**  trans-48.8145174.610.70000117.6
71S36.6Very low34.5Very low116 Ų116125.6 Ų125.681%0.81181%0.808SS**  trans-129.3130.6158.355.20000111.2
72P36.8Very low34.2Very low130 Ų130123.7 Ų123.784%0.84480%0.799SS**  trans-92.1160.7174.334.3-30.5000113.5
73S31.8Very low34Very low112 Ų112128 Ų12878%0.78381%0.806SS**  trans-73.7-178.2-175.9-1440000114
74P34.5Very low34.3Very low117 Ų117127.7 Ų127.776%0.7680%0.797SS**PPolyproline II helix-102.7128.2-120.226.7-4.5000113
75A36.3Very low34.5Very low99 Ų99131.1 Ų131.182%0.81880%0.804SS**PPolyproline II helixtrans-89.3120.4171.400000110.7V77A75-V77 PolarHBondContact O-N 3.24Å
76E31.8Very low35.4Very low183 Ų183124.4 Ų124.486%0.85578%0.783SS**PPolyproline II helixtrans-51.2124.1172.1-65.7172138.700111.6V78E76-V78 PolarHBondContact O-N 3.36Å
77V35.7Very low37Very low128 Ų128129.7 Ų129.778%0.77679%0.788SS**  trans-92.298.9163.5-175.50000106.9A75 V79A75-V77 PolarHBondContact O-N 3.24Å; V77-V79 HydrophobicContact CG1-CG2 3.98Å; V77-V79 PolarHBondContact O-N 2.92Å
78V34.3Very low39.1Very low126 Ų126126.4 Ų126.476%0.76476%0.761SS**  trans-64.9108.9164.6179.70000107E76E76-V78 PolarHBondContact O-N 3.36Å
79V37.7Very low41.6Very low121 Ų121122.4 Ų122.473%0.73374%0.74SS**  trans-97.1112.4172-174.80000107.2V77 G81V77-V79 HydrophobicContact CG1-CG2 3.98Å; V77-V79 PolarHBondContact O-N 2.92Å; V79-G81 PolarHBondContact O-N 3.1Å
80D30.2Very low44.1Very low151 Ų151117.8 Ų117.881%0.80771%0.71SS**  trans-45.8119.2173.8-98.1-37.2000111.8A82D80-A82 PolarHBondContact O-N 3.16Å
81G28Very low47.1Very low88 Ų88117.8 Ų117.891%0.90770%0.695SS**  trans-88.866.6-175.500000113.4V79V79-G81 PolarHBondContact O-N 3.1Å
82A30.5Very low49.9Very low79 Ų79113.8 Ų113.865%0.65367%0.666SS**SBendtrans-126.9-0.6-174.300000117.9D80D80-A82 PolarHBondContact O-N 3.16Å
83D31.1Very low52.7Low161 Ų161114.8 Ų114.886%0.86165%0.652SS**SBendtrans-145.124.7-173.7-87.4-36000117.4
84L41.3Very low55.8Low116 Ų116111.5 Ų111.561%0.60763%0.626SS**  trans-113.654.7-179.9-71.9168.1000113.6Y256 L260L84-Y256 HydrophobicContact CD2-CE1 4.14Å; L84-Y256 WeakPolarHBondContact CD2-OH 3.33Å; L84-L260 HydrophobicContact CD1-CD1 3.79Å; L84-L260 HydrophobicContact CD2-CD1 4.11Å; L84-L260 HydrophobicContact CD2-CD2 3.87Å
85Q39.3Very low58.8Low197 Ų197105.9 Ų105.992%0.92159%0.59SS**  trans-106.131.5157.3-79.7-176.33.900111.8K87Q85-K87 PolarHBondContact O-N 2.99Å
86G53.3Low61.7Low39 Ų39102 Ų10240%0.40256%0.556SS.*  trans-7191.3167.900000109.9I88G86-I88 PolarHBondContact O-N 3.45Å
87K65.8Low64.9Low207 Ų20793.3 Ų93.390%0.952%0.515SS*.  trans-50.2102.2174.8-176.7177.9-178.5176.70110Q85 D89Q85-K87 PolarHBondContact O-N 2.99Å; K87-D89 PolarHBondContact O-N 2.99Å
88I80.1Confident67.8Low50 Ų5088.1 Ų88.126%0.25648%0.483SS..  trans-68.4121.6177.5-58.7174.3000108G86 L90 C189 M252 Y256G86-I88 PolarHBondContact O-N 3.45Å; I88-L90 PolarHBondContact O-N 3.27Å; I88-L90 VanDerWaalsContact O-N 3.09Å; I88-C189 HydrophobicContact CG2-CB 4.48Å; I88-C189 WeakPolarHBondContact CG2-SG 3.4Å; I88-M252 HydrophobicContact CD1-CE 4.27Å; I88-Y256 HydrophobicContact CD1-CD1 4.35Å; I88-Y256 HydrophobicContact CD1-CD2 3.39Å; I88-Y256 HydrophobicContact CD1-CE1 4.26Å; I88-Y256 HydrophobicContact CD1-CE2 3.29Å; I88-Y256 HydrophobicContact CD1-CG 3.94Å; I88-Y256 HydrophobicContact CG1-CE2 4.04Å
89D87.2Confident70.9Confident71 Ų7182.3 Ų82.338%0.3845%0.447SS..EExtended strand (participates in β ladder)trans-8188.3177.9-173.719.6000110.1K87 R91 C189K87-D89 PolarHBondContact O-N 2.99Å; D89-R91 VanDerWaalsContact CG-NE 3.28Å; D89-R91 WeakPolarHBondContact OD1-CG 3.41Å; D89-R91 IonicContact OD1-CZ 2.87Å; D89-R91 IonicContact OD1-NE 2.75Å; D89-R91 PolarHBondContact OD1-NE 3.13Å; D89-R91 IonicContact OD1-NH2 3.16Å; D89-R91 IonicContact OD2-CZ 2.9Å; D89-R91 IonicContact OD2-NE 3.23Å; D89-R91 PolarHBondContact OD2-NE 3.02Å; D89-R91 IonicContact OD2-NH2 3.78Å; D89-R91 PolarHBondContact OD2-NH2 2.9Å; D89-C189 WeakPolarHBondContact O-CA 3.35Å
90L93Very high73.7Confident46 Ų4678.9 Ų78.924%0.24143%0.425CS..EExtended strand (participates in β ladder)trans-90121.9172.6-175.574.5000109.9I88 A187 C189 I239 V248 L249I88-L90 PolarHBondContact O-N 3.27Å; I88-L90 VanDerWaalsContact O-N 3.09Å; L90-A187 HydrophobicContact CD1-CB 4.22Å; L90-C189 HydrophobicContact CD1-CB 3.9Å; L90-I239 HydrophobicContact CD1-CD1 4.3Å; L90-V248 HydrophobicContact CD1-CG1 3.96Å; L90-V248 HydrophobicContact CD2-CG1 4.03Å; L90-V248 HydrophobicContact CG-CG1 4.47Å; L90-L249 HydrophobicContact CD2-CD2 3.48Å; L90-L249 VanDerWaalsContact CD2-CD2 3.48Å; L90-L249 HydrophobicContact CD2-CG 4.23Å
91R94.5Very high76.9Confident136 Ų13671.7 Ų71.751%0.51339%0.387SS..EExtended strand (participates in β ladder)trans-129.6127.5178.5-57.9-169.8-172.1-174.67.9111.9D89 R93 A187 S188D89-R91 VanDerWaalsContact CG-NE 3.28Å; D89-R91 WeakPolarHBondContact OD1-CG 3.41Å; D89-R91 IonicContact OD1-CZ 2.87Å; D89-R91 IonicContact OD1-NE 2.75Å; D89-R91 PolarHBondContact OD1-NE 3.13Å; D89-R91 IonicContact OD1-NH2 3.16Å; D89-R91 IonicContact OD2-CZ 2.9Å; D89-R91 IonicContact OD2-NE 3.23Å; D89-R91 PolarHBondContact OD2-NE 3.02Å; D89-R91 IonicContact OD2-NH2 3.78Å; D89-R91 PolarHBondContact OD2-NH2 2.9Å; R91-R93 PolarHBondContact O-N 3.22Å; R91-A187 CarbonylContact O-C 3.58Å; R91-A187 WeakPolarHBondContact O-CA 3.42Å; R91-S188 PolarHBondContact N-O 3.22Å; R91-S188 PolarHBondContact O-N 3.34Å
92V95.6Very high80.1Confident32 Ų3270.9 Ų70.919%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-69.4124.5167.7-179.20000109V95 T151 M185V92-V95 HydrophobicContact CG1-CG2 3.64Å; V92-T151 WeakPolarHBondContact CG1-O 3.09Å; V92-M185 HydrophobicContact CG1-CG 3.91Å; V92-M185 HydrophobicContact CG1-SD 4.13Å; V92-M185 HydrophobicContact CG2-SD 3.95Å
93R95.4Very high83.1Confident151 Ų15168 Ų6857%0.5734%0.341SS*.EExtended strand (participates in β ladder)trans-100.6-36.8-177.1-68-64.3-172.3147.80.8112.5R91 M186 S188R91-R93 PolarHBondContact O-N 3.22Å; R93-M186 HydrophobicContact CB-CG 4.48Å; R93-M186 PolarHBondContact N-O 3.25Å; R93-S188 WeakPolarHBondContact CG-OG 3.24Å; R93-S188 PolarHBondContact NE-OG 2.88Å; R93-S188 PolarHBondContact NH2-OG 2.82Å
94N96.5Very high86.1Confident43 Ų4367 Ų6723%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-154.3137-177.5-177.626.3000110.7G149 A150 M185 M186N94-G149 VanDerWaalsContact OD1-CA 3.29Å; N94-G149 WeakPolarHBondContact OD1-CA 3.46Å; N94-G149 PolarHBondContact OD1-N 2.94Å; N94-A150 CarbonylContact C-O 3.6Å; N94-A150 WeakPolarHBondContact CA-O 3.48Å; N94-M185 WeakPolarHBondContact O-CA 3.5Å; N94-M186 HydrophobicContact CB-CB 4.24Å; N94-M186 PolarHBondContact N-O 3.44Å; N94-M186 PolarHBondContact O-N 3.18Å
95V97.1Very high88.6Confident0 Ų061.5 Ų61.50%030%0.302CS..EExtended strand (participates in β ladder)trans-121.7124.6173-176.50000107.9V92 A150 A156 I182 M185V92-V95 HydrophobicContact CG1-CG2 3.64Å; V95-A150 HydrophobicContact CB-CB 4.32Å; V95-A150 PolarHBondContact N-O 3.25Å; V95-A156 HydrophobicContact CB-CB 4.29Å; V95-A156 HydrophobicContact CG1-CB 3.88Å; V95-I182 HydrophobicContact CG1-CD1 3.72Å; V95-I182 HydrophobicContact CG1-CG1 4.38Å; V95-I182 HydrophobicContact CG1-CG2 3.92Å; V95-M185 HydrophobicContact CG2-CE 4.18Å; V95-M185 HydrophobicContact CG2-CG 4.24Å
96V97.5Very high91.2Very high18 Ų1856.1 Ų56.111%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-107.4117.1177.3-173.50000108.9I146 V147 T148 T183 N184V96-I146 HydrophobicContact CG1-CG2 3.77Å; V96-V147 WeakPolarHBondContact CA-O 3.31Å; V96-T148 HydrophobicContact CB-CG2 4.34Å; V96-T148 HydrophobicContact CG1-CG2 3.69Å; V96-T148 HydrophobicContact CG2-CG2 3.92Å; V96-T183 WeakPolarHBondContact CG1-OG1 3.25Å; V96-T183 PolarHBondContact O-N 2.98Å; V96-T183 PolarHBondContact O-OG1 3.37Å; V96-N184 HydrophobicContact CB-CB 4.27Å; V96-N184 HydrophobicContact CG2-CB 4.44Å; V96-N184 PolarHBondContact N-O 3.11Å; V96-N184 PolarHBondContact O-N 3.42Å
97S97.8Very high93.2Very high0 Ų054.6 Ų54.60%026%0.262CS..EExtended strand (participates in β ladder)trans-114.9156.2178.163.30000111.3I146 V147 S160 R181S97-I146 CarbonylContact O-C 3.59Å; S97-I146 WeakPolarHBondContact O-CA 3.21Å; S97-V147 PolarHBondContact N-O 3.04Å; S97-V147 PolarHBondContact O-N 2.96Å; S97-S160 PolarHBondContact OG-OG 2.98Å; S97-S160 VanDerWaalsContact OG-OG 3.04Å; S97-R181 CarbonylContact C-O 3.59Å; S97-R181 WeakPolarHBondContact CA-O 3.38Å
98M98.2Very high94.6Very high18 Ų1849.8 Ų49.89%0.08924%0.243CC..EExtended strand (participates in β ladder)trans-140.4143.4-179-17817771.100109.5K144 V145 I146 Y180 R181 T183M98-K144 HydrophobicContact CG-CG 4.42Å; M98-K144 HydrophobicContact SD-CD 4.32Å; M98-K144 WeakPolarHBondContact SD-CE 3.47Å; M98-K144 HydrophobicContact SD-CG 4.4Å; M98-V145 VanDerWaalsContact CA-O 3.29Å; M98-V145 WeakPolarHBondContact CA-O 3.46Å; M98-I146 HydrophobicContact CB-CG1 4.47Å; M98-I146 HydrophobicContact CG-CG1 4.06Å; M98-I146 HydrophobicContact SD-CG1 4.31Å; M98-Y180 CarbonylContact O-C 3.43Å; M98-Y180 WeakPolarHBondContact O-CA 3.34Å; M98-R181 HydrophobicContact CE-CG 4.23Å; M98-R181 PolarHBondContact N-O 3.28Å; M98-R181 PolarHBondContact O-N 3.34Å; M98-T183 HydrophobicContact CB-CG2 3.59Å; M98-T183 HydrophobicContact CE-CG2 3.91Å; M98-T183 HydrophobicContact SD-CG2 4.23Å
99F98.4Very high95.2Very high4 Ų449 Ų492%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-150.5169.3175.267.5-85.3000110.3V101 V145 V147 S160 V163 A164 F177 A178 Y180F99-V101 HydrophobicContact CD2-CG1 4.34Å; F99-V101 HydrophobicContact CE2-CG1 3.73Å; F99-V145 HydrophobicContact CD1-CB 4.02Å; F99-V145 HydrophobicContact CD1-CG1 4.25Å; F99-V145 HydrophobicContact CD2-CB 4.29Å; F99-V145 HydrophobicContact CE1-CB 3.56Å; F99-V145 HydrophobicContact CE1-CG1 3.4Å; F99-V145 VanDerWaalsContact CE1-CG1 3.4Å; F99-V145 HydrophobicContact CE1-CG2 4.42Å; F99-V145 HydrophobicContact CE2-CB 3.85Å; F99-V145 HydrophobicContact CE2-CG1 4.33Å; F99-V145 HydrophobicContact CE2-CG2 3.89Å; F99-V145 HydrophobicContact CG-CB 4.38Å; F99-V145 HydrophobicContact CZ-CB 3.47Å; F99-V145 VanDerWaalsContact CZ-CB 3.47Å; F99-V145 HydrophobicContact CZ-CG1 3.46Å; F99-V145 VanDerWaalsContact CZ-CG1 3.46Å; F99-V145 HydrophobicContact CZ-CG2 3.83Å; F99-V145 PolarHBondContact N-O 2.86Å; F99-V145 PolarHBondContact O-N 2.77Å; F99-V147 HydrophobicContact CE1-CG2 3.98Å; F99-S160 WeakPolarHBondContact CZ-O 3.23Å; F99-V163 HydrophobicContact CZ-CB 4.11Å; F99-V163 HydrophobicContact CZ-CG1 4.09Å; F99-A164 HydrophobicContact CE2-CB 3.76Å; F99-A164 HydrophobicContact CZ-CB 4.17Å; F99-F177 HydrophobicContact CB-CD2 4.42Å; F99-F177 HydrophobicContact CB-CE2 4Å; F99-F177 HydrophobicContact CB-CZ 4.49Å; F99-F177 AromaticContact CD1-CE2 3.95Å; F99-F177 HydrophobicContact CD1-CE2 3.95Å; F99-F177 AromaticContact CD2-CD2 3.63Å; F99-F177 HydrophobicContact CD2-CD2 3.63Å; F99-F177 AromaticContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CE1-CE2 4.32Å; F99-F177 AromaticContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CE2 4.12Å; F99-F177 HydrophobicContact CG-CD2 4.01Å; F99-F177 AromaticContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CZ 4.5Å; F99-F177 HydrophobicContact CZ-CE2 4.39Å; F99-A178 WeakPolarHBondContact CB-O 3.4Å; F99-Y180 HydrophobicContact CB-CD2 4.18Å
100N97.8Very high95.6Very high50 Ų5045.6 Ų45.627%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-114.6138.6177.3-167.8-1.5000110.3C102 G143 A178 D179N100-C102 PolarHBondContact OD1-N 3.3Å; N100-G143 PolarHBondContact OD1-O 3.16Å; N100-A178 PolarHBondContact N-O 3.46Å; N100-A178 PolarHBondContact O-N 2.98Å; N100-D179 HydrophobicContact CB-CB 4.49Å
101V96.4Very high95.6Very high0 Ų044.3 Ų44.30%022%0.221CC..  trans-88.7-6.2172.3-63.20000114.6F99 C103 V105 G143 V145 I167 V175 C176F99-V101 HydrophobicContact CD2-CG1 4.34Å; F99-V101 HydrophobicContact CE2-CG1 3.73Å; V101-C103 PolarHBondContact O-N 3.13Å; V101-C103 VanDerWaalsContact O-N 3.13Å; V101-V105 HydrophobicContact CG2-CG2 3.55Å; V101-G143 VanDerWaalsContact CG2-O 3.23Å; V101-G143 WeakPolarHBondContact CG2-O 3.34Å; V101-G143 PolarHBondContact N-O 2.88Å; V101-V145 HydrophobicContact CG1-CG2 4.03Å; V101-I167 HydrophobicContact CG1-CD1 4.17Å; V101-V175 HydrophobicContact CB-CG1 3.86Å; V101-V175 HydrophobicContact CB-CG2 4.28Å; V101-V175 HydrophobicContact CG1-CG1 3.84Å; V101-C176 VanDerWaalsContact CA-O 3.24Å; V101-C176 WeakPolarHBondContact CA-O 3.36Å; V101-C176 PolarHBondContact O-N 3.12Å
102C94.3Very high95.6Very high70 Ų7044.2 Ų44.247%0.47323%0.228SC..SBendtrans60.416.5177-550000115.4N100 C176 A178N100-C102 PolarHBondContact OD1-N 3.3Å; C102-C176 HydrophobicContact CB-CB 3.98Å; C102-A178 WeakPolarHBondContact SG-CB 3.48Å
103C94.1Very high95.5Very high18 Ų1845.9 Ų45.912%0.12224%0.24CC..SBendtrans-143.7157.417666.60000110.3V101 G143 V175V101-C103 PolarHBondContact O-N 3.13Å; V101-C103 VanDerWaalsContact O-N 3.13Å; C103-G143 WeakPolarHBondContact O-CA 3.47Å; C103-V175 VanDerWaalsContact SG-CG2 3.53Å
104H94.2Very high95.4Very high140 Ų14039.1 Ų39.165%0.64822%0.216SC*.  trans-66.2136.4168.1-164.673.5000109.3A141H104-A141 WeakPolarHBondContact CA-O 3.35Å; H104-A141 PolarHBondContact CE1-O 3.37Å; H104-A141 PolarHBondContact ND1-O 2.93Å
105V94Very high95.3Very high1 Ų140.7 Ų40.71%0.00623%0.228CC..  trans-112117.6179.9-177.90000108V101 L107 L110 I139 A141 I167 V171V101-V105 HydrophobicContact CG2-CG2 3.55Å; V105-L107 HydrophobicContact CG1-CD2 4.29Å; V105-L107 PolarHBondContact O-N 3.26Å; V105-L110 HydrophobicContact CG1-CD2 4.08Å; V105-I139 HydrophobicContact CG1-CG2 4.25Å; V105-A141 PolarHBondContact N-O 3.05Å; V105-I167 HydrophobicContact CG1-CG2 4.24Å; V105-I167 HydrophobicContact CG2-CG2 4.28Å; V105-V171 HydrophobicContact CG1-CG1 4.32Å
106D94Very high95.1Very high84 Ų8444.8 Ų44.845%0.44925%0.25SS..  trans-67.9104.2168-178.5-3.7000109.1H108 A109 L110D106-H108 VanDerWaalsContact C-N 3.27Å; D106-H108 PolarHBondContact O-N 2.89Å; D106-H108 WeakPolarHBondContact OD1-CB 3.17Å; D106-H108 PolarHBondContact OD1-N 3.12Å; D106-A109 HydrophobicContact CB-CB 4Å; D106-A109 PolarHBondContact OD1-N 2.91Å; D106-A109 WeakPolarHBondContact OD2-CB 3.29Å; D106-L110 WeakPolarHBondContact O-CB 3.41Å; D106-L110 PolarHBondContact O-N 3.25Å
107L95.4Very high95Very high8 Ų845.4 Ų45.44%0.04225%0.254CS..Hα-helixtrans-66.2-31-178.7-63.5-172.2000112.3V105 A111 Y119 G124 V126 I139 A141V105-L107 HydrophobicContact CG1-CD2 4.29Å; V105-L107 PolarHBondContact O-N 3.26Å; L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.4Å; L107-Y119 HydrophobicContact CB-CD2 4.38Å; L107-Y119 HydrophobicContact CB-CE2 3.69Å; L107-Y119 HydrophobicContact CD1-CE2 3.88Å; L107-Y119 HydrophobicContact CG-CE2 4.47Å; L107-G124 VanDerWaalsContact CD1-C 3.47Å; L107-G124 WeakPolarHBondContact CD1-O 3.3Å; L107-V126 HydrophobicContact CB-CG2 3.7Å; L107-V126 HydrophobicContact CD1-CG2 4.41Å; L107-V126 HydrophobicContact CD2-CB 4.27Å; L107-V126 HydrophobicContact CD2-CG2 3.79Å; L107-V126 HydrophobicContact CG-CG2 4.16Å; L107-I139 HydrophobicContact CD2-CG2 4.25Å; L107-A141 HydrophobicContact CD1-CB 3.93Å; L107-A141 HydrophobicContact CG-CB 4.02Å
108H93.9Very high94.9Very high106 Ų10650.2 Ų50.249%0.49128%0.283SS..Hα-helixtrans-71.4-49.7179.5-174.472.7000110.3D106 L110 A111 M112D106-H108 VanDerWaalsContact C-N 3.27Å; D106-H108 PolarHBondContact O-N 2.89Å; D106-H108 WeakPolarHBondContact OD1-CB 3.17Å; D106-H108 PolarHBondContact OD1-N 3.12Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 2.96Å; H108-A111 PolarHBondContact O-N 3.4Å; H108-M112 WeakPolarHBondContact O-CG 3.33Å; H108-M112 PolarHBondContact O-N 2.97Å
109A93.2Very high94.8Very high32 Ų3253 Ų5326%0.26429%0.293SS..Hα-helixtrans-58.1-43.8174.100000111.8D106 A111 M112 C113D106-A109 HydrophobicContact CB-CB 4Å; D106-A109 PolarHBondContact OD1-N 2.91Å; D106-A109 WeakPolarHBondContact OD2-CB 3.29Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.97Å; A109-M112 PolarHBondContact O-N 3.44Å; A109-C113 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-SG 3.41Å; A109-C113 VanDerWaalsContact O-SG 3.41Å
110L95.2Very high94.6Very high1 Ų155.5 Ų55.51%0.00531%0.305CS..Hα-helixtrans-59.8-43.7177-179.865.1000112.3V105 D106 H108 C113 T114 V126 I139 I167 V171V105-L110 HydrophobicContact CG1-CD2 4.08Å; D106-L110 WeakPolarHBondContact O-CB 3.41Å; D106-L110 PolarHBondContact O-N 3.25Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 2.96Å; L110-C113 PolarHBondContact O-N 3Å; L110-T114 WeakPolarHBondContact CD1-OG1 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.35Å; L110-T114 PolarHBondContact O-N 3.48Å; L110-T114 PolarHBondContact O-OG1 3.43Å; L110-V126 HydrophobicContact CD2-CB 4.25Å; L110-V126 HydrophobicContact CD2-CG1 3.95Å; L110-V126 HydrophobicContact CD2-CG2 4.5Å; L110-V126 HydrophobicContact CG-CG1 4.4Å; L110-I139 HydrophobicContact CD2-CB 4.26Å; L110-I139 HydrophobicContact CD2-CD1 3.69Å; L110-I139 HydrophobicContact CD2-CG2 3.88Å; L110-I167 HydrophobicContact CD1-CG1 4.22Å; L110-V171 HydrophobicContact CB-CG2 3.92Å; L110-V171 HydrophobicContact CD1-CG2 3.69Å; L110-V171 HydrophobicContact CG-CG2 4.39Å
111A94.8Very high94.3Very high18 Ų1858.2 Ų58.215%0.14932%0.319CS..Hα-helixtrans-66.4-36.1179.400000112.4L107 H108 A109 V117 Y119L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.4Å; H108-A111 PolarHBondContact O-N 3.4Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.97Å; A111-V117 HydrophobicContact CB-CG1 4.26Å; A111-Y119 HydrophobicContact CB-CG 4.42Å
112M94.3Very high94.2Very high135 Ų13563.2 Ų63.267%0.66535%0.354SS*.Hα-helixtrans-70.6-36.8176.9-68.5-59.9111.900112.6H108 A109H108-M112 WeakPolarHBondContact O-CG 3.33Å; H108-M112 PolarHBondContact O-N 2.97Å; A109-M112 PolarHBondContact O-N 3.44Å
113C93.2Very high94Very high66 Ų6667.5 Ų67.545%0.44636%0.36SS..Hα-helixtrans-88-8.7-175.8-63.60000114.8A109 L110 K170A109-C113 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-SG 3.41Å; A109-C113 VanDerWaalsContact O-SG 3.41Å; L110-C113 PolarHBondContact O-N 3Å; C113-K170 HydrophobicContact CB-CB 4.42Å
114T93.8Very high94Very high9 Ų968.1 Ų68.16%0.05537%0.369CS..SBendtrans-120.5123.1-168.6-50.80000111.7L110 V117 W128 W166L110-T114 WeakPolarHBondContact CD1-OG1 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.35Å; L110-T114 PolarHBondContact O-N 3.48Å; L110-T114 PolarHBondContact O-OG1 3.43Å; T114-V117 HydrophobicContact CG2-CG2 3.46Å; T114-V117 VanDerWaalsContact CG2-CG2 3.46Å; T114-V117 WeakPolarHBondContact O-CG2 3.44Å; T114-W128 HydrophobicContact CG2-CD2 3.71Å; T114-W128 HydrophobicContact CG2-CE3 4.27Å; T114-W128 HydrophobicContact CG2-CG 4.1Å; T114-W128 HydrophobicContact CG2-CH2 4.21Å; T114-W128 HydrophobicContact CG2-CZ2 3.6Å; T114-W128 HydrophobicContact CG2-CZ3 4.49Å; T114-W166 HydrophobicContact CG2-CZ2 4.39Å; T114-W166 PolarHBondContact OG1-NE1 3.23Å
115P93Very high94.1Very high76 Ų7662 Ų6249%0.49434%0.342SS..SBendtrans-75.6155.9177.731.6-35.2000111.9W128P115-W128 PolarHBondContact O-NE1 3.04Å
116N94.2Very high94.3Very high87 Ų8761.9 Ų61.947%0.46534%0.341SS..SBendtrans59.444.9179.9-47.9-58.2000112.9Q129N116-Q129 HydrophobicContact CB-CB 4.37Å; N116-Q129 PolarHBondContact O-N 2.89Å
117V95.5Very high94.4Very high31 Ų3160.5 Ų60.519%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-118.5139.3-179.7172.20000110.2A111 T114 V126 M127 W128A111-V117 HydrophobicContact CB-CG1 4.26Å; T114-V117 HydrophobicContact CG2-CG2 3.46Å; T114-V117 VanDerWaalsContact CG2-CG2 3.46Å; T114-V117 WeakPolarHBondContact O-CG2 3.44Å; V117-V126 HydrophobicContact CG1-CG1 3.27Å; V117-M127 CarbonylContact C-O 3.56Å; V117-M127 WeakPolarHBondContact CA-O 3.37Å; V117-W128 HydrophobicContact CG2-CB 3.84Å; V117-W128 VanDerWaalsContact CG2-CD1 3.42Å; V117-W128 HydrophobicContact CG2-CG 3.69Å
118V95.8Very high94.5Very high100 Ų10060.9 Ų60.961%0.60633%0.334SS*.EExtended strand (participates in β ladder)trans-115.3120.7169.6179.40000107.9M127V118-M127 HydrophobicContact CB-CB 4.43Å; V118-M127 PolarHBondContact N-O 3.22Å; V118-M127 PolarHBondContact O-N 3.28Å
119Y95.7Very high94.6Very high78 Ų7860 Ų6031%0.30633%0.33SS..EExtended strand (participates in β ladder)trans-95113.2175.3-177.5-150.9000110.3L107 A111 L121 V125 V126L107-Y119 HydrophobicContact CB-CD2 4.38Å; L107-Y119 HydrophobicContact CB-CE2 3.69Å; L107-Y119 HydrophobicContact CD1-CE2 3.88Å; L107-Y119 HydrophobicContact CG-CE2 4.47Å; A111-Y119 HydrophobicContact CB-CG 4.42Å; Y119-L121 HydrophobicContact CD1-CD2 4.1Å; Y119-L121 HydrophobicContact CD1-CG 4.19Å; Y119-L121 HydrophobicContact CE1-CD2 3.32Å; Y119-L121 HydrophobicContact CE1-CG 3.9Å; Y119-L121 HydrophobicContact CE2-CD2 4.39Å; Y119-L121 VanDerWaalsContact CZ-CD2 3.49Å; Y119-V125 WeakPolarHBondContact CD2-O 3.05Å; Y119-V126 HydrophobicContact CD2-CG2 3.63Å; Y119-V126 HydrophobicContact CE2-CG2 4.19Å; Y119-V126 HydrophobicContact CG-CG2 4.29Å
120E94.1Very high94.7Very high56 Ų5658.6 Ų58.626%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-98.889.1179.2-170.7176.8-169.900109.5S122 R123 G124 V125 R138E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 WeakPolarHBondContact CG-OG 3.41Å; E120-S122 PolarHBondContact O-N 2.85Å; E120-R123 HydrophobicContact CG-CB 4.12Å; E120-R123 HydrophobicContact CG-CG 4.16Å; E120-R123 PolarHBondContact O-N 3.2Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-R123 IonicContact OE1-CZ 3.38Å; E120-R123 IonicContact OE1-NE 3.42Å; E120-R123 PolarHBondContact OE1-NE 3.29Å; E120-R123 IonicContact OE1-NH1 3.18Å; E120-R123 PolarHBondContact OE1-NH1 3.02Å; E120-R123 VanDerWaalsContact OE2-CD 3.32Å; E120-R123 WeakPolarHBondContact OE2-CD 3.46Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NE 3.83Å; E120-R123 IonicContact OE2-NH1 2.94Å; E120-R123 PolarHBondContact OE2-NH1 3.4Å; E120-G124 PolarHBondContact O-N 3.06Å; E120-V125 HydrophobicContact CB-CG2 4.27Å; E120-V125 PolarHBondContact N-O 2.99Å; E120-V125 PolarHBondContact O-N 3.06Å; E120-R138 IonicContact OE2-NH2 3.86Å
121L91.6Very high94.5Very high107 Ų10766.7 Ų66.756%0.5635%0.348SS*.G310 helixtrans-54.1-40.9-179-77164.1000112.9Y119 R123 G124Y119-L121 HydrophobicContact CD1-CD2 4.1Å; Y119-L121 HydrophobicContact CD1-CG 4.19Å; Y119-L121 HydrophobicContact CE1-CD2 3.32Å; Y119-L121 HydrophobicContact CE1-CG 3.9Å; Y119-L121 HydrophobicContact CE2-CD2 4.39Å; Y119-L121 VanDerWaalsContact CZ-CD2 3.49Å; L121-R123 PolarHBondContact O-N 2.99Å; L121-G124 PolarHBondContact O-N 3.42Å
122S92.9Very high94.3Very high105 Ų10572.4 Ų72.473%0.73438%0.376SS*.G310 helixtrans-60.6-29.1-178.753.50000113.5E120E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 WeakPolarHBondContact CG-OG 3.41Å; E120-S122 PolarHBondContact O-N 2.85Å
123R91.5Very high94.1Very high159 Ų15967.4 Ų67.460%0.635%0.354SS*.G310 helixtrans-104.9-7.6179.7-68.5-163.8-176.9139.9-8.9113.7E120 L121 V125E120-R123 HydrophobicContact CG-CB 4.12Å; E120-R123 HydrophobicContact CG-CG 4.16Å; E120-R123 PolarHBondContact O-N 3.2Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-R123 IonicContact OE1-CZ 3.38Å; E120-R123 IonicContact OE1-NE 3.42Å; E120-R123 PolarHBondContact OE1-NE 3.29Å; E120-R123 IonicContact OE1-NH1 3.18Å; E120-R123 PolarHBondContact OE1-NH1 3.02Å; E120-R123 VanDerWaalsContact OE2-CD 3.32Å; E120-R123 WeakPolarHBondContact OE2-CD 3.46Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NE 3.83Å; E120-R123 IonicContact OE2-NH1 2.94Å; E120-R123 PolarHBondContact OE2-NH1 3.4Å; L121-R123 PolarHBondContact O-N 2.99Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 HydrophobicContact CB-CG2 3.85Å; R123-V125 PolarHBondContact O-N 3.14Å
124G93.9Very high94.1Very high31 Ų3169.4 Ų69.432%0.3236%0.36SS..THydrogen-bonded Turntrans61.340.9-175.900000112.9L107 E120 L121L107-G124 VanDerWaalsContact CD1-C 3.47Å; L107-G124 WeakPolarHBondContact CD1-O 3.3Å; E120-G124 PolarHBondContact O-N 3.06Å; L121-G124 PolarHBondContact O-N 3.42Å
125V96.4Very high94.2Very high11 Ų1169 Ų697%0.06736%0.358CS..EExtended strand (participates in β ladder)trans-137150-179.6-62.40000112.6Y119 E120 R123 R138 I139Y119-V125 WeakPolarHBondContact CD2-O 3.05Å; E120-V125 HydrophobicContact CB-CG2 4.27Å; E120-V125 PolarHBondContact N-O 2.99Å; E120-V125 PolarHBondContact O-N 3.06Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 HydrophobicContact CB-CG2 3.85Å; R123-V125 PolarHBondContact O-N 3.14Å; V125-R138 HydrophobicContact CB-CG 4.22Å; V125-R138 HydrophobicContact CG1-CG 4.32Å; V125-I139 CarbonylContact C-O 3.45Å; V125-I139 WeakPolarHBondContact CA-O 3.49Å
126V97Very high94.4Very high0 Ų069 Ų690%035%0.351CS..EExtended strand (participates in β ladder)trans-106.7123.1172.8169.80000108.9L107 L110 V117 Y119 R138 I139L107-V126 HydrophobicContact CB-CG2 3.7Å; L107-V126 HydrophobicContact CD1-CG2 4.41Å; L107-V126 HydrophobicContact CD2-CB 4.27Å; L107-V126 HydrophobicContact CD2-CG2 3.79Å; L107-V126 HydrophobicContact CG-CG2 4.16Å; L110-V126 HydrophobicContact CD2-CB 4.25Å; L110-V126 HydrophobicContact CD2-CG1 3.95Å; L110-V126 HydrophobicContact CD2-CG2 4.5Å; L110-V126 HydrophobicContact CG-CG1 4.4Å; V117-V126 HydrophobicContact CG1-CG1 3.27Å; Y119-V126 HydrophobicContact CD2-CG2 3.63Å; Y119-V126 HydrophobicContact CE2-CG2 4.19Å; Y119-V126 HydrophobicContact CG-CG2 4.29Å; V126-R138 WeakPolarHBondContact O-CA 3.44Å; V126-I139 HydrophobicContact CB-CB 4.35Å; V126-I139 PolarHBondContact N-O 2.98Å; V126-I139 PolarHBondContact O-N 3.42Å
127M97.1Very high94.6Very high55 Ų5564.8 Ų64.827%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-101114.7175.6-63.6-60.8-60.500109.1V117 V118 A137 R138V117-M127 CarbonylContact C-O 3.56Å; V117-M127 WeakPolarHBondContact CA-O 3.37Å; V118-M127 HydrophobicContact CB-CB 4.43Å; V118-M127 PolarHBondContact N-O 3.22Å; V118-M127 PolarHBondContact O-N 3.28Å; M127-A137 CarbonylContact C-O 3.58Å; M127-A137 WeakPolarHBondContact CA-O 3.29Å; M127-R138 HydrophobicContact CE-CB 4.17Å; M127-R138 HydrophobicContact SD-CB 3.58Å; M127-R138 VanDerWaalsContact SD-CB 3.58Å; M127-R138 HydrophobicContact SD-CG 3.52Å; M127-R138 VanDerWaalsContact SD-CG 3.52Å
128W96.7Very high94.7Very high15 Ų1567.1 Ų67.16%0.05733%0.334CS..EExtended strand (participates in β ladder)trans-114.5126.6-177.4-177.820.5000111.2T114 P115 V117 L130 H136 A137 I139 V163 W166T114-W128 HydrophobicContact CG2-CD2 3.71Å; T114-W128 HydrophobicContact CG2-CE3 4.27Å; T114-W128 HydrophobicContact CG2-CG 4.1Å; T114-W128 HydrophobicContact CG2-CH2 4.21Å; T114-W128 HydrophobicContact CG2-CZ2 3.6Å; T114-W128 HydrophobicContact CG2-CZ3 4.49Å; P115-W128 PolarHBondContact O-NE1 3.04Å; V117-W128 HydrophobicContact CG2-CB 3.84Å; V117-W128 VanDerWaalsContact CG2-CD1 3.42Å; V117-W128 HydrophobicContact CG2-CG 3.69Å; W128-L130 HydrophobicContact CD2-CD1 4.26Å; W128-L130 HydrophobicContact CD2-CG 4.44Å; W128-L130 HydrophobicContact CE3-CD1 4.49Å; W128-L130 HydrophobicContact CG-CD1 4.38Å; W128-H136 CarbonylContact O-C 3.49Å; W128-H136 WeakPolarHBondContact O-CA 3.37Å; W128-A137 HydrophobicContact CB-CB 4.4Å; W128-A137 PolarHBondContact N-O 3.04Å; W128-A137 PolarHBondContact O-N 3.41Å; W128-I139 HydrophobicContact CE3-CD1 4.16Å; W128-V163 HydrophobicContact CE3-CG1 4.21Å; W128-V163 HydrophobicContact CE3-CG2 4.24Å; W128-V163 HydrophobicContact CZ3-CB 4.3Å; W128-V163 HydrophobicContact CZ3-CG1 4.1Å; W128-V163 HydrophobicContact CZ3-CG2 4.14Å; W128-W166 HydrophobicContact CH2-CB 3.48Å; W128-W166 VanDerWaalsContact CH2-CB 3.48Å; W128-W166 AromaticContact CH2-CD1 3.42Å; W128-W166 VanDerWaalsContact CH2-CD1 3.42Å; W128-W166 AromaticContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CE3 4.37Å; W128-W166 AromaticContact CH2-CG 3.22Å; W128-W166 HydrophobicContact CH2-CG 3.22Å; W128-W166 AromaticContact CH2-NE1 3.92Å; W128-W166 HydrophobicContact CZ2-CD2 4.11Å; W128-W166 HydrophobicContact CZ2-CG 4.1Å; W128-W166 HydrophobicContact CZ3-CB 3.79Å; W128-W166 AromaticContact CZ3-CD1 3.69Å; W128-W166 AromaticContact CZ3-CG 3.77Å; W128-W166 HydrophobicContact CZ3-CG 3.77Å
129Q96.7Very high94.7Very high87 Ų8762.4 Ų62.441%0.40731%0.305SS..EExtended strand (participates in β ladder)trans-91.5117.4173.3-171174.78.200111.4N116N116-Q129 HydrophobicContact CB-CB 4.37Å; N116-Q129 PolarHBondContact O-N 2.89Å
130L94.8Very high94.8Very high3 Ų359.8 Ų59.82%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-93.2144176.2-69.292.2000110.6W128 C135 A137 R162 V163W128-L130 HydrophobicContact CD2-CD1 4.26Å; W128-L130 HydrophobicContact CD2-CG 4.44Å; W128-L130 HydrophobicContact CE3-CD1 4.49Å; W128-L130 HydrophobicContact CG-CD1 4.38Å; L130-C135 PolarHBondContact N-O 3.35Å; L130-C135 PolarHBondContact O-N 2.94Å; L130-A137 HydrophobicContact CD1-CB 3.63Å; L130-R162 HydrophobicContact CD2-CG 4.44Å; L130-V163 HydrophobicContact CD1-CG2 3.82Å; L130-V163 HydrophobicContact CD2-CG2 3.54Å; L130-V163 HydrophobicContact CG-CG2 4.28Å
131R92Very high94.8Very high171 Ų17158.5 Ų58.565%0.64530%0.297SS*.THydrogen-bonded Turntrans-107.7138.9168.6-59.3-176.1-176.1-170.60.2109P133 R162R131-P133 CarbonylContact C-O 3.56Å; R131-R162 PolarHBondContact O-NH1 3.04Å
132N88.9Confident95Very high138 Ų13857.5 Ų57.574%0.73830%0.299SS*.THydrogen-bonded Turntrans57.381.6-179.4-60.1-18.4000114.1R162N132-R162 PolarHBondContact O-NH1 3.38Å
133P90.3Very high95.1Very high30 Ų3052.5 Ų52.520%0.19526%0.264CS..THydrogen-bonded Turncis-75.3159.3-4.231.4-35.4000112.5R131 C135 A155 A159R131-P133 CarbonylContact C-O 3.56Å; P133-C135 PolarHBondContact O-N 3.48Å; P133-A155 HydrophobicContact CB-CB 4.43Å; P133-A155 HydrophobicContact CG-CB 4.4Å; P133-A159 HydrophobicContact CG-CB 3.83Å
134N93.5Very high95.4Very high109 Ų10949.5 Ų49.558%0.58326%0.255SS*.THydrogen-bonded Turntrans-69.7101.4173.8-173.224000108.8
135C96.6Very high95.6Very high0 Ų048 Ų480%024%0.239CC..EExtended strand (participates in β ladder)trans-143.7160.6-174.5-66.40000110.2L130 P133 V147 T148 A159L130-C135 PolarHBondContact N-O 3.35Å; L130-C135 PolarHBondContact O-N 2.94Å; P133-C135 PolarHBondContact O-N 3.48Å; C135-V147 HydrophobicContact CB-CG1 4.08Å; C135-T148 CarbonylContact C-O 3.51Å; C135-T148 VanDerWaalsContact CA-O 3.25Å; C135-T148 WeakPolarHBondContact CA-O 3.17Å; C135-T148 VanDerWaalsContact CB-O 3.3Å; C135-T148 WeakPolarHBondContact CB-O 3.32Å; C135-A159 HydrophobicContact CB-CB 4.38Å
136H97.1Very high95.6Very high75 Ų7549.6 Ų49.635%0.34725%0.247SC..EExtended strand (participates in β ladder)trans-117.5129.5173-62.3-89.9000109.4W128 V147 T148W128-H136 CarbonylContact O-C 3.49Å; W128-H136 WeakPolarHBondContact O-CA 3.37Å; H136-V147 CarbonylContact O-C 3.51Å; H136-V147 WeakPolarHBondContact O-CA 3.46Å; H136-T148 PolarHBondContact N-O 3.42Å; H136-T148 PolarHBondContact O-N 2.94Å; H136-T148 PolarHBondContact O-OG1 3.38Å
137A97.7Very high95.7Very high0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-105.7130172.800000109.8M127 W128 L130 I146 V147 V163M127-A137 CarbonylContact C-O 3.58Å; M127-A137 WeakPolarHBondContact CA-O 3.29Å; W128-A137 HydrophobicContact CB-CB 4.4Å; W128-A137 PolarHBondContact N-O 3.04Å; W128-A137 PolarHBondContact O-N 3.41Å; L130-A137 HydrophobicContact CD1-CB 3.63Å; A137-I146 CarbonylContact C-O 3.6Å; A137-I146 WeakPolarHBondContact CA-O 3.46Å; A137-V147 HydrophobicContact CB-CG2 4.18Å; A137-V163 HydrophobicContact CB-CG1 4.31Å; A137-V163 HydrophobicContact CB-CG2 3.74Å
138R97.5Very high95.7Very high80 Ų8049.2 Ų49.230%0.30225%0.248SC..EExtended strand (participates in β ladder)trans-105.6116170.6-179.1174.6-139.7139.38.6108.2E120 V125 V126 M127 V145 I146E120-R138 IonicContact OE2-NH2 3.86Å; V125-R138 HydrophobicContact CB-CG 4.22Å; V125-R138 HydrophobicContact CG1-CG 4.32Å; V126-R138 WeakPolarHBondContact O-CA 3.44Å; M127-R138 HydrophobicContact CE-CB 4.17Å; M127-R138 HydrophobicContact SD-CB 3.58Å; M127-R138 VanDerWaalsContact SD-CB 3.58Å; M127-R138 HydrophobicContact SD-CG 3.52Å; M127-R138 VanDerWaalsContact SD-CG 3.52Å; R138-V145 CarbonylContact O-C 3.41Å; R138-V145 WeakPolarHBondContact O-CA 3.49Å; R138-I146 HydrophobicContact CB-CB 4.37Å; R138-I146 PolarHBondContact N-O 3.45Å; R138-I146 PolarHBondContact O-N 3.19Å
139I97.3Very high95.6Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-113.4128.2-175.1-59.5160.4000107.9V105 L107 L110 V125 V126 W128 V145 V163 I167V105-I139 HydrophobicContact CG1-CG2 4.25Å; L107-I139 HydrophobicContact CD2-CG2 4.25Å; L110-I139 HydrophobicContact CD2-CB 4.26Å; L110-I139 HydrophobicContact CD2-CD1 3.69Å; L110-I139 HydrophobicContact CD2-CG2 3.88Å; V125-I139 CarbonylContact C-O 3.45Å; V125-I139 WeakPolarHBondContact CA-O 3.49Å; V126-I139 HydrophobicContact CB-CB 4.35Å; V126-I139 PolarHBondContact N-O 2.98Å; V126-I139 PolarHBondContact O-N 3.42Å; W128-I139 HydrophobicContact CE3-CD1 4.16Å; I139-V145 HydrophobicContact CG1-CG1 3.92Å; I139-V145 HydrophobicContact CG1-CG2 4.08Å; I139-V145 HydrophobicContact CG2-CG2 4.26Å; I139-V163 HydrophobicContact CD1-CG1 3.95Å; I139-V163 HydrophobicContact CG1-CG1 4.35Å; I139-I167 HydrophobicContact CD1-CD1 4.01Å; I139-I167 HydrophobicContact CG1-CD1 4.4Å; I139-I167 HydrophobicContact CG2-CD1 4.31Å
140S96.7Very high95.6Very high23 Ų2345.9 Ų45.916%0.16124%0.242CC..EExtended strand (participates in β ladder)trans-107.2152.8179.7-45.70000110.2C142 G143 K144S140-C142 PolarHBondContact O-N 3.02Å; S140-C142 VanDerWaalsContact O-N 3.16Å; S140-G143 PolarHBondContact O-N 3Å; S140-K144 PolarHBondContact N-O 2.84Å; S140-K144 PolarHBondContact OG-O 2.94Å
141A95.3Very high95.6Very high29 Ų2950.3 Ų50.324%0.2427%0.269CS..THydrogen-bonded Turntrans-58.6-30.7-179.200000112.8H104 V105 L107 G143H104-A141 WeakPolarHBondContact CA-O 3.35Å; H104-A141 PolarHBondContact CE1-O 3.37Å; H104-A141 PolarHBondContact ND1-O 2.93Å; V105-A141 PolarHBondContact N-O 3.05Å; L107-A141 HydrophobicContact CD1-CB 3.93Å; L107-A141 HydrophobicContact CG-CB 4.02Å; A141-G143 PolarHBondContact O-N 3.15Å; A141-G143 VanDerWaalsContact O-N 3.13Å
142C94.7Very high95.7Very high87 Ų8744.6 Ų44.659%0.58826%0.255SS*.THydrogen-bonded Turntrans-69.9-0.8175.964.50000115.1S140S140-C142 PolarHBondContact O-N 3.02Å; S140-C142 VanDerWaalsContact O-N 3.16Å
143G95.2Very high96Very high0 Ų041.3 Ų41.30%024%0.236CC..SBendtrans87.91.7-179.800000114.9N100 V101 C103 S140 A141N100-G143 PolarHBondContact OD1-O 3.16Å; V101-G143 VanDerWaalsContact CG2-O 3.23Å; V101-G143 WeakPolarHBondContact CG2-O 3.34Å; V101-G143 PolarHBondContact N-O 2.88Å; C103-G143 WeakPolarHBondContact O-CA 3.47Å; S140-G143 PolarHBondContact O-N 3Å; A141-G143 PolarHBondContact O-N 3.15Å; A141-G143 VanDerWaalsContact O-N 3.13Å
144K97.3Very high96.3Very high95 Ų9547.5 Ų47.541%0.41326%0.264SS..EExtended strand (participates in β ladder)trans-75.4127.4172.6-171.9179.6-175.5179.40110.7M98 S140M98-K144 HydrophobicContact CG-CG 4.42Å; M98-K144 HydrophobicContact SD-CD 4.32Å; M98-K144 WeakPolarHBondContact SD-CE 3.47Å; M98-K144 HydrophobicContact SD-CG 4.4Å; S140-K144 PolarHBondContact N-O 2.84Å; S140-K144 PolarHBondContact OG-O 2.94Å
145V97.9Very high96.4Very high0 Ų043.1 Ų43.10%024%0.243CC..EExtended strand (participates in β ladder)trans-122.1130.7177.6-174.30000110.4M98 F99 V101 R138 I139 V147 V163 I167M98-V145 VanDerWaalsContact CA-O 3.29Å; M98-V145 WeakPolarHBondContact CA-O 3.46Å; F99-V145 HydrophobicContact CD1-CB 4.02Å; F99-V145 HydrophobicContact CD1-CG1 4.25Å; F99-V145 HydrophobicContact CD2-CB 4.29Å; F99-V145 HydrophobicContact CE1-CB 3.56Å; F99-V145 HydrophobicContact CE1-CG1 3.4Å; F99-V145 VanDerWaalsContact CE1-CG1 3.4Å; F99-V145 HydrophobicContact CE1-CG2 4.42Å; F99-V145 HydrophobicContact CE2-CB 3.85Å; F99-V145 HydrophobicContact CE2-CG1 4.33Å; F99-V145 HydrophobicContact CE2-CG2 3.89Å; F99-V145 HydrophobicContact CG-CB 4.38Å; F99-V145 HydrophobicContact CZ-CB 3.47Å; F99-V145 VanDerWaalsContact CZ-CB 3.47Å; F99-V145 HydrophobicContact CZ-CG1 3.46Å; F99-V145 VanDerWaalsContact CZ-CG1 3.46Å; F99-V145 HydrophobicContact CZ-CG2 3.83Å; F99-V145 PolarHBondContact N-O 2.86Å; F99-V145 PolarHBondContact O-N 2.77Å; V101-V145 HydrophobicContact CG1-CG2 4.03Å; R138-V145 CarbonylContact O-C 3.41Å; R138-V145 WeakPolarHBondContact O-CA 3.49Å; I139-V145 HydrophobicContact CG1-CG1 3.92Å; I139-V145 HydrophobicContact CG1-CG2 4.08Å; I139-V145 HydrophobicContact CG2-CG2 4.26Å; V145-V147 HydrophobicContact CG1-CG2 4.22Å; V145-V163 HydrophobicContact CG1-CG1 3.95Å; V145-I167 HydrophobicContact CG2-CD1 4.34Å
146I98.1Very high96.4Very high45 Ų4543.1 Ų43.123%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-117.7127.2175-58.4170.8000108.2V96 S97 M98 A137 R138 T148V96-I146 HydrophobicContact CG1-CG2 3.77Å; S97-I146 CarbonylContact O-C 3.59Å; S97-I146 WeakPolarHBondContact O-CA 3.21Å; M98-I146 HydrophobicContact CB-CG1 4.47Å; M98-I146 HydrophobicContact CG-CG1 4.06Å; M98-I146 HydrophobicContact SD-CG1 4.31Å; A137-I146 CarbonylContact C-O 3.6Å; A137-I146 WeakPolarHBondContact CA-O 3.46Å; R138-I146 HydrophobicContact CB-CB 4.37Å; R138-I146 PolarHBondContact N-O 3.45Å; R138-I146 PolarHBondContact O-N 3.19Å; I146-T148 HydrophobicContact CG2-CG2 4.28Å
147V97.9Very high96.4Very high1 Ų146.5 Ų46.51%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-114.8125.7178.5-177.50000109.6V96 S97 F99 C135 H136 A137 V145 A159 V163V96-V147 WeakPolarHBondContact CA-O 3.31Å; S97-V147 PolarHBondContact N-O 3.04Å; S97-V147 PolarHBondContact O-N 2.96Å; F99-V147 HydrophobicContact CE1-CG2 3.98Å; C135-V147 HydrophobicContact CB-CG1 4.08Å; H136-V147 CarbonylContact O-C 3.51Å; H136-V147 WeakPolarHBondContact O-CA 3.46Å; A137-V147 HydrophobicContact CB-CG2 4.18Å; V145-V147 HydrophobicContact CG1-CG2 4.22Å; V147-A159 HydrophobicContact CG1-CB 3.95Å; V147-V163 HydrophobicContact CG2-CG2 4.5Å
148T97.3Very high96.4Very high45 Ų4553.7 Ų53.728%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-122.5160.3-179.960.60000111.2V96 C135 H136 I146V96-T148 HydrophobicContact CB-CG2 4.34Å; V96-T148 HydrophobicContact CG1-CG2 3.69Å; V96-T148 HydrophobicContact CG2-CG2 3.92Å; C135-T148 CarbonylContact C-O 3.51Å; C135-T148 VanDerWaalsContact CA-O 3.25Å; C135-T148 WeakPolarHBondContact CA-O 3.17Å; C135-T148 VanDerWaalsContact CB-O 3.3Å; C135-T148 WeakPolarHBondContact CB-O 3.32Å; H136-T148 PolarHBondContact N-O 3.42Å; H136-T148 PolarHBondContact O-N 2.94Å; H136-T148 PolarHBondContact O-OG1 3.38Å; I146-T148 HydrophobicContact CG2-CG2 4.28Å
149G95.2Very high96.4Very high32 Ų3249.9 Ų49.933%0.3327%0.269SS..EExtended strand (participates in β ladder)trans96.1-2.4172.600000115N94N94-G149 VanDerWaalsContact OD1-CA 3.29Å; N94-G149 WeakPolarHBondContact OD1-CA 3.46Å; N94-G149 PolarHBondContact OD1-N 2.94Å
150A96.3Very high96.4Very high1 Ų149.9 Ų49.91%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-70.9142.6175.100000110.8N94 V95 A155 A156N94-A150 CarbonylContact C-O 3.6Å; N94-A150 WeakPolarHBondContact CA-O 3.48Å; V95-A150 HydrophobicContact CB-CB 4.32Å; V95-A150 PolarHBondContact N-O 3.25Å; A150-A155 HydrophobicContact CB-CB 4.23Å; A150-A156 HydrophobicContact CB-CB 3.63Å
151T94.3Very high96.4Very high95 Ų9556.6 Ų56.658%0.58329%0.291SS*.SBendtrans-93.4-5.8178.5530000113.6V92V92-T151 WeakPolarHBondContact CG1-O 3.09Å
152S95Very high96.5Very high51 Ų5160.8 Ų60.836%0.35730%0.301SS..SBendtrans-149.2158.417769.60000111.1M154 A155 A156S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3Å; S152-A155 PolarHBondContact O-N 3.47Å; S152-A155 VanDerWaalsContact OG-CB 3.3Å; S152-A155 WeakPolarHBondContact OG-CB 3.33Å; S152-A155 PolarHBondContact OG-N 3.11Å; S152-A156 PolarHBondContact O-N 3.4Å
153E95.3Very high96.6Very high70 Ų7056.7 Ų56.733%0.32727%0.273SS..Hα-helixtrans-60.3-42.4177.4-61.9-177.5179.900111.6A155 A156 R157 M185 S244 E245E153-A155 PolarHBondContact O-N 3.18Å; E153-A156 WeakPolarHBondContact O-CB 3.45Å; E153-A156 PolarHBondContact O-N 2.9Å; E153-R157 PolarHBondContact O-N 3.45Å; E153-M185 HydrophobicContact CG-CE 3.55Å; E153-M185 WeakPolarHBondContact OE1-CE 3.45Å; E153-S244 WeakPolarHBondContact OE1-CA 2.97Å; E153-E245 PolarHBondContact OE1-N 2.84Å; E153-E245 VanDerWaalsContact OE1-N 3.11Å
154M95.7Very high96.6Very high159 Ų15957 Ų5778%0.78328%0.275SS*.Hα-helixtrans-60.5-43.8175.8-73.4176.245.600112.3S152 R157 K158S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3Å; M154-R157 PolarHBondContact O-N 2.82Å; M154-K158 WeakPolarHBondContact O-CB 3.38Å; M154-K158 PolarHBondContact O-N 2.88Å
155A96.1Very high96.6Very high18 Ų1858.8 Ų58.815%0.14928%0.279CS..Hα-helixtrans-64.5-41.1177.400000111.3P133 A150 S152 E153 R157 K158 A159P133-A155 HydrophobicContact CB-CB 4.43Å; P133-A155 HydrophobicContact CG-CB 4.4Å; A150-A155 HydrophobicContact CB-CB 4.23Å; S152-A155 PolarHBondContact O-N 3.47Å; S152-A155 VanDerWaalsContact OG-CB 3.3Å; S152-A155 WeakPolarHBondContact OG-CB 3.33Å; S152-A155 PolarHBondContact OG-N 3.11Å; E153-A155 PolarHBondContact O-N 3.18Å; A155-R157 PolarHBondContact O-N 3Å; A155-K158 PolarHBondContact O-N 3.04Å; A155-A159 WeakPolarHBondContact O-CB 3.36Å; A155-A159 PolarHBondContact O-N 2.8Å
156A97.1Very high96.5Very high0 Ų062 Ų620%029%0.292CS..Hα-helixtrans-60.8-44.1176.200000111.7V95 A150 S152 E153 A159 S160 I182V95-A156 HydrophobicContact CB-CB 4.29Å; V95-A156 HydrophobicContact CG1-CB 3.88Å; A150-A156 HydrophobicContact CB-CB 3.63Å; S152-A156 PolarHBondContact O-N 3.4Å; E153-A156 WeakPolarHBondContact O-CB 3.45Å; E153-A156 PolarHBondContact O-N 2.9Å; A156-A159 PolarHBondContact O-N 3.16Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 PolarHBondContact O-OG 2.75Å; A156-I182 HydrophobicContact CB-CD1 4.35Å
157R97Very high96.4Very high146 Ų14659.9 Ų59.955%0.55128%0.281SS*.Hα-helixtrans-66.2-42.4177.7-167.7173-177.5178.90.5111.9E153 M154 A155 S160 R161 Y180E153-R157 PolarHBondContact O-N 3.45Å; M154-R157 PolarHBondContact O-N 2.82Å; A155-R157 PolarHBondContact O-N 3Å; R157-S160 PolarHBondContact O-N 2.86Å; R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 2.84Å; R157-Y180 VanDerWaalsContact CA-OH 3.28Å; R157-Y180 WeakPolarHBondContact CA-OH 3.41Å; R157-Y180 HydrophobicContact CB-CE1 4.1Å; R157-Y180 HydrophobicContact CB-CE2 4.45Å; R157-Y180 WeakPolarHBondContact CB-OH 3.3Å; R157-Y180 HydrophobicContact CG-CD1 4.47Å; R157-Y180 HydrophobicContact CG-CE1 3.95Å; R157-Y180 HydrophobicContact CG-CE2 4.47Å; R157-Y180 PolarHBondContact N-OH 3.32Å; R157-Y180 VanDerWaalsContact N-OH 3.12Å
158K97.1Very high96.2Very high150 Ų15062.6 Ų62.665%0.65229%0.294SS*.Hα-helixtrans-61-46.8176.1-174.9176.8-179.5176.70111.5M154 A155 R162M154-K158 WeakPolarHBondContact O-CB 3.38Å; M154-K158 PolarHBondContact O-N 2.88Å; A155-K158 PolarHBondContact O-N 3.04Å; K158-R162 PolarHBondContact O-N 3.26Å; K158-R162 VanDerWaalsContact O-N 3.11Å
159A97.5Very high96.1Very high0 Ų065.8 Ų65.80%031%0.305CS..Hα-helixtrans-60.8-45.7176.200000111.6P133 C135 V147 A155 A156 R161 R162 V163P133-A159 HydrophobicContact CG-CB 3.83Å; C135-A159 HydrophobicContact CB-CB 4.38Å; V147-A159 HydrophobicContact CG1-CB 3.95Å; A155-A159 WeakPolarHBondContact O-CB 3.36Å; A155-A159 PolarHBondContact O-N 2.8Å; A156-A159 PolarHBondContact O-N 3.16Å; A159-R161 PolarHBondContact O-N 3.43Å; A159-R162 WeakPolarHBondContact O-CB 3.36Å; A159-R162 PolarHBondContact O-N 2.78Å; A159-R162 VanDerWaalsContact O-N 3.16Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.79Å
160S97.6Very high96Very high0 Ų069.6 Ų69.60%031%0.313CS..Hα-helixtrans-60.9-45.5179.8-62.20000112.8S97 F99 A156 R157 R162 V163 A164S97-S160 PolarHBondContact OG-OG 2.98Å; S97-S160 VanDerWaalsContact OG-OG 3.04Å; F99-S160 WeakPolarHBondContact CZ-O 3.23Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 PolarHBondContact O-OG 2.75Å; R157-S160 PolarHBondContact O-N 2.86Å; S160-R162 VanDerWaalsContact C-N 3.3Å; S160-R162 PolarHBondContact O-N 2.85Å; S160-V163 PolarHBondContact O-N 2.95Å; S160-A164 PolarHBondContact O-N 3.16Å
161R97.1Very high95.7Very high164 Ų16471.4 Ų71.462%0.61932%0.324SS*.Hα-helixtrans-62.2-37.8175.1-72.3-176.670.3-176.12.7112.4R157 A159 A164 R165 F177R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 2.84Å; A159-R161 PolarHBondContact O-N 3.43Å; R161-A164 PolarHBondContact O-N 2.8Å; R161-R165 WeakPolarHBondContact O-CB 3.4Å; R161-R165 PolarHBondContact O-N 3.38Å; R161-F177 HydrophobicContact CG-CD1 4.42Å; R161-F177 HydrophobicContact CG-CE1 4.04Å; R161-F177 HydrophobicContact CG-CE2 4.2Å; R161-F177 HydrophobicContact CG-CZ 3.9Å
162R96.4Very high95.5Very high118 Ų11869.3 Ų69.345%0.44531%0.309SS..Hα-helixtrans-63.9-42.6176.5-177.4175.9176.7-178.1-4.2111.6L130 R131 N132 K158 A159 S160 R165 W166L130-R162 HydrophobicContact CD2-CG 4.44Å; R131-R162 PolarHBondContact O-NH1 3.04Å; N132-R162 PolarHBondContact O-NH1 3.38Å; K158-R162 PolarHBondContact O-N 3.26Å; K158-R162 VanDerWaalsContact O-N 3.11Å; A159-R162 WeakPolarHBondContact O-CB 3.36Å; A159-R162 PolarHBondContact O-N 2.78Å; A159-R162 VanDerWaalsContact O-N 3.16Å; S160-R162 VanDerWaalsContact C-N 3.3Å; S160-R162 PolarHBondContact O-N 2.85Å; R162-R165 PolarHBondContact O-N 3.48Å; R162-W166 WeakPolarHBondContact O-CB 3.34Å; R162-W166 PolarHBondContact O-N 3.35Å
163V96.7Very high95.3Very high0 Ų071.9 Ų71.90%032%0.324CS..Hα-helixtrans-61.6-50.7175.2176.10000110.5F99 W128 L130 A137 I139 V145 V147 A159 S160 R165 W166 I167F99-V163 HydrophobicContact CZ-CB 4.11Å; F99-V163 HydrophobicContact CZ-CG1 4.09Å; W128-V163 HydrophobicContact CE3-CG1 4.21Å; W128-V163 HydrophobicContact CE3-CG2 4.24Å; W128-V163 HydrophobicContact CZ3-CB 4.3Å; W128-V163 HydrophobicContact CZ3-CG1 4.1Å; W128-V163 HydrophobicContact CZ3-CG2 4.14Å; L130-V163 HydrophobicContact CD1-CG2 3.82Å; L130-V163 HydrophobicContact CD2-CG2 3.54Å; L130-V163 HydrophobicContact CG-CG2 4.28Å; A137-V163 HydrophobicContact CB-CG1 4.31Å; A137-V163 HydrophobicContact CB-CG2 3.74Å; I139-V163 HydrophobicContact CD1-CG1 3.95Å; I139-V163 HydrophobicContact CG1-CG1 4.35Å; V145-V163 HydrophobicContact CG1-CG1 3.95Å; V147-V163 HydrophobicContact CG2-CG2 4.5Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.79Å; S160-V163 PolarHBondContact O-N 2.95Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.46Å; V163-W166 PolarHBondContact O-N 3.36Å; V163-W166 VanDerWaalsContact O-N 3.15Å; V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 HydrophobicContact CG1-CG1 4.42Å; V163-I167 WeakPolarHBondContact O-CG1 3.34Å; V163-I167 PolarHBondContact O-N 2.89Å
164A96.8Very high95.2Very high6 Ų671.8 Ų71.85%0.0533%0.331CS..Hα-helixtrans-56.8-45.8179.100000112F99 S160 R161 W166 I167 Q168 V175 F177F99-A164 HydrophobicContact CE2-CB 3.76Å; F99-A164 HydrophobicContact CZ-CB 4.17Å; S160-A164 PolarHBondContact O-N 3.16Å; R161-A164 PolarHBondContact O-N 2.8Å; A164-W166 VanDerWaalsContact C-N 3.33Å; A164-W166 PolarHBondContact O-N 3.41Å; A164-I167 PolarHBondContact O-N 3.12Å; A164-Q168 WeakPolarHBondContact O-CB 2.93Å; A164-Q168 PolarHBondContact O-N 2.97Å; A164-V175 HydrophobicContact CB-CG1 4.46Å; A164-V175 WeakPolarHBondContact O-CG1 3.32Å; A164-F177 HydrophobicContact CB-CB 4.45Å; A164-F177 HydrophobicContact CB-CD2 3.73Å
165R96.1Very high95.2Very high133 Ų13364.6 Ų64.650%0.50230%0.296SS..Hα-helixtrans-64.2-36.5178.7-173.757.3174.5164.21.4112.8R161 R162 V163 Q168 Q169R161-R165 WeakPolarHBondContact O-CB 3.4Å; R161-R165 PolarHBondContact O-N 3.38Å; R162-R165 PolarHBondContact O-N 3.48Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.46Å; R165-Q168 WeakPolarHBondContact O-CB 3.22Å; R165-Q168 PolarHBondContact O-N 3.26Å; R165-Q169 VanDerWaalsContact O-CG 3.3Å; R165-Q169 WeakPolarHBondContact O-CG 3.46Å; R165-Q169 PolarHBondContact O-N 2.96Å
166W95.2Very high95.1Very high68 Ų6867 Ų6726%0.25831%0.311SS..Hα-helixtrans-66.6-46.7177-174.2-89.5000112T114 W128 R162 V163 A164 Q168 Q169 K170T114-W166 HydrophobicContact CG2-CZ2 4.39Å; T114-W166 PolarHBondContact OG1-NE1 3.23Å; W128-W166 HydrophobicContact CH2-CB 3.48Å; W128-W166 VanDerWaalsContact CH2-CB 3.48Å; W128-W166 AromaticContact CH2-CD1 3.42Å; W128-W166 VanDerWaalsContact CH2-CD1 3.42Å; W128-W166 AromaticContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CE3 4.37Å; W128-W166 AromaticContact CH2-CG 3.22Å; W128-W166 HydrophobicContact CH2-CG 3.22Å; W128-W166 AromaticContact CH2-NE1 3.92Å; W128-W166 HydrophobicContact CZ2-CD2 4.11Å; W128-W166 HydrophobicContact CZ2-CG 4.1Å; W128-W166 HydrophobicContact CZ3-CB 3.79Å; W128-W166 AromaticContact CZ3-CD1 3.69Å; W128-W166 AromaticContact CZ3-CG 3.77Å; W128-W166 HydrophobicContact CZ3-CG 3.77Å; R162-W166 WeakPolarHBondContact O-CB 3.34Å; R162-W166 PolarHBondContact O-N 3.35Å; V163-W166 PolarHBondContact O-N 3.36Å; V163-W166 VanDerWaalsContact O-N 3.15Å; A164-W166 VanDerWaalsContact C-N 3.33Å; A164-W166 PolarHBondContact O-N 3.41Å; W166-Q168 PolarHBondContact O-N 2.7Å; W166-Q169 PolarHBondContact O-N 3.37Å; W166-Q169 VanDerWaalsContact O-N 3.16Å; W166-K170 HydrophobicContact CD2-CG 4.32Å; W166-K170 HydrophobicContact CG-CG 4.5Å; W166-K170 HydrophobicContact CZ2-CG 4.35Å; W166-K170 WeakPolarHBondContact O-CB 3.35Å; W166-K170 PolarHBondContact O-N 3.48Å
167I95.9Very high95.1Very high0 Ų070.4 Ų70.40%033%0.326CS..Hα-helixtrans-60.4-40.7176-57.6167.6000109.5V101 V105 L110 I139 V145 V163 A164 Q169 K170 V171 N172 V175V101-I167 HydrophobicContact CG1-CD1 4.17Å; V105-I167 HydrophobicContact CG1-CG2 4.24Å; V105-I167 HydrophobicContact CG2-CG2 4.28Å; L110-I167 HydrophobicContact CD1-CG1 4.22Å; I139-I167 HydrophobicContact CD1-CD1 4.01Å; I139-I167 HydrophobicContact CG1-CD1 4.4Å; I139-I167 HydrophobicContact CG2-CD1 4.31Å; V145-I167 HydrophobicContact CG2-CD1 4.34Å; V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 HydrophobicContact CG1-CG1 4.42Å; V163-I167 WeakPolarHBondContact O-CG1 3.34Å; V163-I167 PolarHBondContact O-N 2.89Å; A164-I167 PolarHBondContact O-N 3.12Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.85Å; I167-K170 PolarHBondContact O-N 2.99Å; I167-V171 HydrophobicContact CG2-CB 4.07Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.39Å; I167-V171 PolarHBondContact O-N 2.92Å; I167-N172 PolarHBondContact O-N 3.04Å; I167-N172 VanDerWaalsContact O-N 3.12Å; I167-V175 HydrophobicContact CB-CG2 4.23Å; I167-V175 HydrophobicContact CG2-CG2 3.68Å
168Q95.6Very high95.1Very high59 Ų5964.7 Ų64.728%0.27631%0.31SS..Hα-helixtrans-59.3-41.9176.5-166.4-179.926.900113A164 R165 W166 N172 P173 V175A164-Q168 WeakPolarHBondContact O-CB 2.93Å; A164-Q168 PolarHBondContact O-N 2.97Å; R165-Q168 WeakPolarHBondContact O-CB 3.22Å; R165-Q168 PolarHBondContact O-N 3.26Å; W166-Q168 PolarHBondContact O-N 2.7Å; Q168-N172 VanDerWaalsContact CA-O 3.31Å; Q168-N172 WeakPolarHBondContact CA-O 3.28Å; Q168-N172 CarbonylContact O-C 3.59Å; Q168-P173 WeakPolarHBondContact CG-O 3.47Å; Q168-P173 PolarHBondContact NE2-O 2.76Å; Q168-P173 WeakPolarHBondContact O-CA 3.28Å; Q168-V175 HydrophobicContact CB-CB 3.86Å; Q168-V175 HydrophobicContact CB-CG1 4.16Å; Q168-V175 HydrophobicContact CG-CB 4.12Å
169Q94.7Very high95.1Very high111 Ų11162.5 Ų62.552%0.51931%0.306SS..Hα-helixtrans-79.9-29.4-176.9-73.9175.6-16.400113.8R165 W166 I167R165-Q169 VanDerWaalsContact O-CG 3.3Å; R165-Q169 WeakPolarHBondContact O-CG 3.46Å; R165-Q169 PolarHBondContact O-N 2.96Å; W166-Q169 PolarHBondContact O-N 3.37Å; W166-Q169 VanDerWaalsContact O-N 3.16Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.85Å
170K92.9Very high95.1Very high113 Ų11365.2 Ų65.249%0.49132%0.316SS..Hα-helixtrans-108.7-26.6-170.1-64.1-58.9-174.6-178.90114.8C113 W166 I167C113-K170 HydrophobicContact CB-CB 4.42Å; W166-K170 HydrophobicContact CD2-CG 4.32Å; W166-K170 HydrophobicContact CG-CG 4.5Å; W166-K170 HydrophobicContact CZ2-CG 4.35Å; W166-K170 WeakPolarHBondContact O-CB 3.35Å; W166-K170 PolarHBondContact O-N 3.48Å; I167-K170 PolarHBondContact O-N 2.99Å
171V90Very high95.1Very high39 Ų3971.8 Ų71.824%0.23634%0.341CS..THydrogen-bonded Turntrans-117.4-59.9-172.4-175.10000110.8V105 L110 I167V105-V171 HydrophobicContact CG1-CG1 4.32Å; L110-V171 HydrophobicContact CB-CG2 3.92Å; L110-V171 HydrophobicContact CD1-CG2 3.69Å; L110-V171 HydrophobicContact CG-CG2 4.39Å; I167-V171 HydrophobicContact CG2-CB 4.07Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.39Å; I167-V171 PolarHBondContact O-N 2.92Å
172N89Confident95.1Very high51 Ų5165.1 Ų65.127%0.27332%0.317SS..  trans-145.6116.1-174.5-170.8-17.9000111.9I167 Q168 S174 V175I167-N172 PolarHBondContact O-N 3.04Å; I167-N172 VanDerWaalsContact O-N 3.12Å; Q168-N172 VanDerWaalsContact CA-O 3.31Å; Q168-N172 WeakPolarHBondContact CA-O 3.28Å; Q168-N172 CarbonylContact O-C 3.59Å; N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact ND2-OG 2.85Å; N172-S174 PolarHBondContact O-N 2.68Å; N172-S174 VanDerWaalsContact O-N 3.1Å; N172-S174 WeakPolarHBondContact OD1-CB 3.42Å; N172-S174 PolarHBondContact OD1-N 2.86Å; N172-S174 PolarHBondContact OD1-OG 2.82Å; N172-V175 HydrophobicContact CB-CG2 4.42Å; N172-V175 WeakPolarHBondContact O-CG2 3.45Å; N172-V175 PolarHBondContact O-N 3.07Å
173P92.4Very high95.1Very high105 Ų10562.1 Ų62.168%0.68231%0.312SS*.THydrogen-bonded Turntrans-57.6-22.7177-25.935.4000115.1Q168 V175Q168-P173 WeakPolarHBondContact CG-O 3.47Å; Q168-P173 PolarHBondContact NE2-O 2.76Å; Q168-P173 WeakPolarHBondContact O-CA 3.28Å; P173-V175 PolarHBondContact O-N 3.28Å
174S93.3Very high95Very high68 Ų6864.8 Ų64.848%0.47633%0.327SS..THydrogen-bonded Turntrans-78.94-178.480.80000114.8N172 C176N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact ND2-OG 2.85Å; N172-S174 PolarHBondContact O-N 2.68Å; N172-S174 VanDerWaalsContact O-N 3.1Å; N172-S174 WeakPolarHBondContact OD1-CB 3.42Å; N172-S174 PolarHBondContact OD1-N 2.86Å; N172-S174 PolarHBondContact OD1-OG 2.82Å; S174-C176 PolarHBondContact O-N 2.84Å
175V94.7Very high95Very high8 Ų864.6 Ų64.65%0.04833%0.325CS..  trans-59.2127.9177.6163.60000111.1V101 C103 A164 I167 Q168 N172 P173V101-V175 HydrophobicContact CB-CG1 3.86Å; V101-V175 HydrophobicContact CB-CG2 4.28Å; V101-V175 HydrophobicContact CG1-CG1 3.84Å; C103-V175 VanDerWaalsContact SG-CG2 3.53Å; A164-V175 HydrophobicContact CB-CG1 4.46Å; A164-V175 WeakPolarHBondContact O-CG1 3.32Å; I167-V175 HydrophobicContact CB-CG2 4.23Å; I167-V175 HydrophobicContact CG2-CG2 3.68Å; Q168-V175 HydrophobicContact CB-CB 3.86Å; Q168-V175 HydrophobicContact CB-CG1 4.16Å; Q168-V175 HydrophobicContact CG-CB 4.12Å; N172-V175 HydrophobicContact CB-CG2 4.42Å; N172-V175 WeakPolarHBondContact O-CG2 3.45Å; N172-V175 PolarHBondContact O-N 3.07Å; P173-V175 PolarHBondContact O-N 3.28Å
176C94.7Very high94.9Very high67 Ų6761.5 Ų61.545%0.45332%0.317SS..  trans-105.6159.6171.9-64.10000110.5V101 C102 S174V101-C176 VanDerWaalsContact CA-O 3.24Å; V101-C176 WeakPolarHBondContact CA-O 3.36Å; V101-C176 PolarHBondContact O-N 3.12Å; C102-C176 HydrophobicContact CB-CB 3.98Å; S174-C176 PolarHBondContact O-N 2.84Å
177F96.8Very high95Very high72 Ų7258.2 Ų58.232%0.31630%0.304SS..  trans-108.887.7171-176.5-102.5000109F99 R161 A164 Y180F99-F177 HydrophobicContact CB-CD2 4.42Å; F99-F177 HydrophobicContact CB-CE2 4Å; F99-F177 HydrophobicContact CB-CZ 4.49Å; F99-F177 AromaticContact CD1-CE2 3.95Å; F99-F177 HydrophobicContact CD1-CE2 3.95Å; F99-F177 AromaticContact CD2-CD2 3.63Å; F99-F177 HydrophobicContact CD2-CD2 3.63Å; F99-F177 AromaticContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CE1-CE2 4.32Å; F99-F177 AromaticContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CE2 4.12Å; F99-F177 HydrophobicContact CG-CD2 4.01Å; F99-F177 AromaticContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CZ 4.5Å; F99-F177 HydrophobicContact CZ-CE2 4.39Å; R161-F177 HydrophobicContact CG-CD1 4.42Å; R161-F177 HydrophobicContact CG-CE1 4.04Å; R161-F177 HydrophobicContact CG-CE2 4.2Å; R161-F177 HydrophobicContact CG-CZ 3.9Å; A164-F177 HydrophobicContact CB-CB 4.45Å; A164-F177 HydrophobicContact CB-CD2 3.73Å; F177-Y180 HydrophobicContact CE1-CD2 4.17Å; F177-Y180 AromaticContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE2-CD2 4.18Å; F177-Y180 AromaticContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CD2 3.41Å; F177-Y180 VanDerWaalsContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CE2 4.23Å; F177-Y180 AromaticContact CZ-CG 3.7Å; F177-Y180 HydrophobicContact CZ-CG 3.7Å
178A96.8Very high95Very high26 Ų2659.2 Ų59.222%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-115162.8-173.600000112.7F99 N100 C102 Y180F99-A178 WeakPolarHBondContact CB-O 3.4Å; N100-A178 PolarHBondContact N-O 3.46Å; N100-A178 PolarHBondContact O-N 2.98Å; C102-A178 WeakPolarHBondContact SG-CB 3.48Å; A178-Y180 PolarHBondContact O-N 3.19Å
179D96.2Very high95Very high105 Ų10556.7 Ų56.756%0.56130%0.3SS*.EExtended strand (participates in β ladder)trans51.530.9172.7-55.3-35.7000115.4N100 R181N100-D179 HydrophobicContact CB-CB 4.49Å; D179-R181 PolarHBondContact O-N 3.06Å
180Y98Very high94.9Very high56 Ų5655.3 Ų55.322%0.2229%0.292CS..EExtended strand (participates in β ladder)trans-62.8122.1178.9177.3-95.6000110.7M98 F99 R157 F177 A178 I182M98-Y180 CarbonylContact O-C 3.43Å; M98-Y180 WeakPolarHBondContact O-CA 3.34Å; F99-Y180 HydrophobicContact CB-CD2 4.18Å; R157-Y180 VanDerWaalsContact CA-OH 3.28Å; R157-Y180 WeakPolarHBondContact CA-OH 3.41Å; R157-Y180 HydrophobicContact CB-CE1 4.1Å; R157-Y180 HydrophobicContact CB-CE2 4.45Å; R157-Y180 WeakPolarHBondContact CB-OH 3.3Å; R157-Y180 HydrophobicContact CG-CD1 4.47Å; R157-Y180 HydrophobicContact CG-CE1 3.95Å; R157-Y180 HydrophobicContact CG-CE2 4.47Å; R157-Y180 PolarHBondContact N-OH 3.32Å; R157-Y180 VanDerWaalsContact N-OH 3.12Å; F177-Y180 HydrophobicContact CE1-CD2 4.17Å; F177-Y180 AromaticContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE2-CD2 4.18Å; F177-Y180 AromaticContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CD2 3.41Å; F177-Y180 VanDerWaalsContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CE2 4.23Å; F177-Y180 AromaticContact CZ-CG 3.7Å; F177-Y180 HydrophobicContact CZ-CG 3.7Å; A178-Y180 PolarHBondContact O-N 3.19Å; Y180-I182 HydrophobicContact CE1-CD1 4.36Å; Y180-I182 VanDerWaalsContact OH-CD1 3.28Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.3Å
181R97.4Very high94.9Very high138 Ų13850 Ų5052%0.52127%0.269SS..EExtended strand (participates in β ladder)trans-146.415117560.7-179.2-179.8-106.114.7112.5S97 M98 D179 T183S97-R181 CarbonylContact C-O 3.59Å; S97-R181 WeakPolarHBondContact CA-O 3.38Å; M98-R181 HydrophobicContact CE-CG 4.23Å; M98-R181 PolarHBondContact N-O 3.28Å; M98-R181 PolarHBondContact O-N 3.34Å; D179-R181 PolarHBondContact O-N 3.06Å; R181-T183 HydrophobicContact CG-CG2 4.37Å
182I97.4Very high95Very high24 Ų2452 Ų5212%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-79.2126.7164.8-55.6-51.6000107.8V95 A156 Y180 T243V95-I182 HydrophobicContact CG1-CD1 3.72Å; V95-I182 HydrophobicContact CG1-CG1 4.38Å; V95-I182 HydrophobicContact CG1-CG2 3.92Å; A156-I182 HydrophobicContact CB-CD1 4.35Å; Y180-I182 HydrophobicContact CE1-CD1 4.36Å; Y180-I182 VanDerWaalsContact OH-CD1 3.28Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.3Å; I182-T243 WeakPolarHBondContact CB-O 3.28Å
183T95.8Very high95.1Very high56 Ų5650.6 Ų50.634%0.34428%0.275SS..EExtended strand (participates in β ladder)trans-98.9-33.3-178.556.60000112.1V96 M98 R181V96-T183 WeakPolarHBondContact CG1-OG1 3.25Å; V96-T183 PolarHBondContact O-N 2.98Å; V96-T183 PolarHBondContact O-OG1 3.37Å; M98-T183 HydrophobicContact CB-CG2 3.59Å; M98-T183 HydrophobicContact CE-CG2 3.91Å; M98-T183 HydrophobicContact SD-CG2 4.23Å; R181-T183 HydrophobicContact CG-CG2 4.37Å
184N95.5Very high95.2Very high56 Ų5646 Ų4630%0.29925%0.246SC..EExtended strand (participates in β ladder)trans-158138.9179.7-171.27.6000109.8V96 G241 A242V96-N184 HydrophobicContact CB-CB 4.27Å; V96-N184 HydrophobicContact CG2-CB 4.44Å; V96-N184 PolarHBondContact N-O 3.11Å; V96-N184 PolarHBondContact O-N 3.42Å; N184-G241 VanDerWaalsContact OD1-CA 3.3Å; N184-G241 WeakPolarHBondContact OD1-CA 3.44Å; N184-G241 PolarHBondContact OD1-N 2.81Å; N184-A242 CarbonylContact C-O 3.56Å; N184-A242 VanDerWaalsContact C-O 3.32Å; N184-A242 WeakPolarHBondContact CA-O 3.38Å
185M95.9Very high95.3Very high1 Ų143.1 Ų43.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-124.5132.7170.8-179.9-177.3-6200107.8V92 N94 V95 E153 A242 E245 V248V92-M185 HydrophobicContact CG1-CG 3.91Å; V92-M185 HydrophobicContact CG1-SD 4.13Å; V92-M185 HydrophobicContact CG2-SD 3.95Å; N94-M185 WeakPolarHBondContact O-CA 3.5Å; V95-M185 HydrophobicContact CG2-CE 4.18Å; V95-M185 HydrophobicContact CG2-CG 4.24Å; E153-M185 HydrophobicContact CG-CE 3.55Å; E153-M185 WeakPolarHBondContact OE1-CE 3.45Å; M185-A242 HydrophobicContact CB-CB 4.17Å; M185-A242 WeakPolarHBondContact CB-O 3.48Å; M185-A242 PolarHBondContact N-O 3.5Å; M185-E245 HydrophobicContact CE-CB 4.29Å; M185-E245 HydrophobicContact SD-CB 4.26Å; M185-V248 HydrophobicContact SD-CG2 3.96Å
186M95.9Very high95.3Very high68 Ų6848.8 Ų48.834%0.33525%0.246SC..EExtended strand (participates in β ladder)trans-111127174.4-179.8-177.2-75.100108.9R93 N94 T238 I239 T240R93-M186 HydrophobicContact CB-CG 4.48Å; R93-M186 PolarHBondContact N-O 3.25Å; N94-M186 HydrophobicContact CB-CB 4.24Å; N94-M186 PolarHBondContact N-O 3.44Å; N94-M186 PolarHBondContact O-N 3.18Å; M186-T238 HydrophobicContact CG-CG2 4.12Å; M186-T238 HydrophobicContact SD-CG2 4.47Å; M186-I239 VanDerWaalsContact CA-O 3.29Å; M186-I239 WeakPolarHBondContact CA-O 3.38Å; M186-T240 HydrophobicContact CB-CG2 4.43Å; M186-T240 HydrophobicContact CE-CG2 3.72Å; M186-T240 HydrophobicContact CG-CG2 4.02Å
187A96.9Very high95.3Very high0 Ų045.9 Ų45.90%023%0.226CC..EExtended strand (participates in β ladder)trans-124152174.100000110.4L90 R91 T238 I239 V248L90-A187 HydrophobicContact CD1-CB 4.22Å; R91-A187 CarbonylContact O-C 3.58Å; R91-A187 WeakPolarHBondContact O-CA 3.42Å; A187-T238 CarbonylContact O-C 3.56Å; A187-T238 WeakPolarHBondContact O-CA 3.45Å; A187-I239 HydrophobicContact CB-CB 4.45Å; A187-I239 PolarHBondContact N-O 3.09Å; A187-I239 PolarHBondContact O-N 2.87Å; A187-V248 HydrophobicContact CB-CG1 3.55Å; A187-V248 HydrophobicContact CB-CG2 4.37Å
188S95.5Very high95.2Very high21 Ų2146.3 Ų46.315%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-120140.517364.10000109.4R91 R93 V237R91-S188 PolarHBondContact N-O 3.22Å; R91-S188 PolarHBondContact O-N 3.34Å; R93-S188 WeakPolarHBondContact CG-OG 3.24Å; R93-S188 PolarHBondContact NE-OG 2.88Å; R93-S188 PolarHBondContact NH2-OG 2.82Å; S188-V237 CarbonylContact C-O 3.57Å; S188-V237 WeakPolarHBondContact CA-O 3.4Å
189C94.8Very high95.1Very high5 Ų548.2 Ų48.23%0.03424%0.241CC..EExtended strand (participates in β ladder)trans-128.9142.8175.8161.50000109I88 D89 L90 V237 M252I88-C189 HydrophobicContact CG2-CB 4.48Å; I88-C189 WeakPolarHBondContact CG2-SG 3.4Å; D89-C189 WeakPolarHBondContact O-CA 3.35Å; L90-C189 HydrophobicContact CD1-CB 3.9Å; C189-V237 HydrophobicContact CB-CB 4.24Å; C189-V237 PolarHBondContact N-O 2.86Å; C189-V237 PolarHBondContact O-N 2.85Å; C189-M252 HydrophobicContact CB-SD 4.41Å
190K94Very high95.1Very high82 Ų8243.2 Ų43.236%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-118.8122172.1-174.360.4168.4174.50109.9T234 S236 Y266K190-T234 PolarHBondContact NZ-O 2.8Å; K190-S236 WeakPolarHBondContact CD-OG 3.38Å; K190-S236 PolarHBondContact NZ-OG 3.03Å; K190-Y266 PolarHBondContact NZ-OH 2.99Å
191L92.3Very high95Very high2 Ų241.5 Ų41.51%0.0121%0.211CC..  trans-85.8148.9175.4-56.9172.2000110.5F193 L195 G235 V237 M252 Y256 L259L191-F193 HydrophobicContact CB-CD2 4.39Å; L191-F193 HydrophobicContact CB-CE2 4.18Å; L191-F193 HydrophobicContact CB-CZ 4.28Å; L191-F193 HydrophobicContact CD1-CE2 3.97Å; L191-F193 HydrophobicContact CD1-CZ 4.3Å; L191-F193 HydrophobicContact CD2-CZ 4.49Å; L191-F193 PolarHBondContact O-N 2.9Å; L191-L195 HydrophobicContact CD1-CD1 4.04Å; L191-G235 WeakPolarHBondContact CB-O 3.12Å; L191-G235 VanDerWaalsContact CG-O 3.31Å; L191-G235 WeakPolarHBondContact CG-O 3.3Å; L191-G235 PolarHBondContact N-O 3.06Å; L191-V237 HydrophobicContact CD1-CG2 3.97Å; L191-V237 HydrophobicContact CG-CG2 4.33Å; L191-M252 HydrophobicContact CD2-CE 3.74Å; L191-Y256 HydrophobicContact CD2-CD2 3.85Å; L191-Y256 HydrophobicContact CD2-CE2 3.77Å; L191-L259 HydrophobicContact CD1-CB 4.48Å; L191-L259 HydrophobicContact CD1-CD1 3.58Å
192P90.8Very high94.9Very high82 Ų8241.2 Ų41.253%0.53222%0.22SC..SBendtrans-77.34.4-179.931.2-33.9000113.9
193F92.4Very high94.8Very high20 Ų2042.6 Ų42.69%0.08823%0.234CC..SBendtrans-137.4162.2-178.347.5-102000111.5L191 L195 G235 Y256 L260 K263L191-F193 HydrophobicContact CB-CD2 4.39Å; L191-F193 HydrophobicContact CB-CE2 4.18Å; L191-F193 HydrophobicContact CB-CZ 4.28Å; L191-F193 HydrophobicContact CD1-CE2 3.97Å; L191-F193 HydrophobicContact CD1-CZ 4.3Å; L191-F193 HydrophobicContact CD2-CZ 4.49Å; L191-F193 PolarHBondContact O-N 2.9Å; F193-L195 HydrophobicContact CD2-CD2 4.15Å; F193-L195 HydrophobicContact CD2-CG 4.5Å; F193-L195 HydrophobicContact CE2-CD2 3.88Å; F193-L195 HydrophobicContact CE2-CG 4.48Å; F193-G235 WeakPolarHBondContact O-CA 3.34Å; F193-Y256 HydrophobicContact CE1-CE2 4.34Å; F193-Y256 HydrophobicContact CZ-CE2 4.16Å; F193-L260 HydrophobicContact CE1-CD2 3.59Å; F193-L260 HydrophobicContact CZ-CD2 3.7Å; F193-L260 HydrophobicContact CZ-CG 4.35Å; F193-K263 HydrophobicContact CB-CB 4.29Å; F193-K263 HydrophobicContact CD1-CB 4.47Å; F193-K263 HydrophobicContact CD2-CB 3.7Å; F193-K263 HydrophobicContact CE2-CB 4.1Å; F193-K263 HydrophobicContact CG-CB 3.9Å
194G93.9Very high94.7Very high8 Ų841.8 Ų41.88%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-81.9171.2168.800000112S233 K263 V264G194-S233 CarbonylContact C-O 3.52Å; G194-S233 VanDerWaalsContact CA-O 3.24Å; G194-S233 WeakPolarHBondContact CA-O 3.44Å; G194-K263 CarbonylContact O-C 3.53Å; G194-K263 WeakPolarHBondContact O-CA 3.46Å; G194-V264 PolarHBondContact N-O 2.98Å; G194-V264 PolarHBondContact O-N 2.96Å
195L95.2Very high94.7Very high9 Ų943.9 Ų43.95%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-132.8137.7-176.1-72170.4000112.4L191 F193 L197 I231 S233 L259L191-L195 HydrophobicContact CD1-CD1 4.04Å; F193-L195 HydrophobicContact CD2-CD2 4.15Å; F193-L195 HydrophobicContact CD2-CG 4.5Å; F193-L195 HydrophobicContact CE2-CD2 3.88Å; F193-L195 HydrophobicContact CE2-CG 4.48Å; L195-L197 HydrophobicContact CB-CD2 3.97Å; L195-L197 PolarHBondContact O-N 2.74Å; L195-I231 HydrophobicContact CD1-CG2 3.34Å; L195-S233 PolarHBondContact N-O 2.81Å; L195-L259 HydrophobicContact CD1-CD1 4.39Å; L195-L259 HydrophobicContact CD1-CD2 4.03Å; L195-L259 HydrophobicContact CD2-CB 4.09Å; L195-L259 HydrophobicContact CD2-CD2 4.34Å; L195-L259 WeakPolarHBondContact CD2-O 3.33Å
196R95.2Very high94.6Very high126 Ų12652.7 Ų52.748%0.47528%0.282SS..  trans-81.690.9166.6-63.5-178.7-69.6-161.4-2.8109.7V198 D199 L200 Y262 V264R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 3.24Å; R196-D199 HydrophobicContact CB-CB 4.16Å; R196-D199 WeakPolarHBondContact CB-OD2 3.44Å; R196-D199 WeakPolarHBondContact CD-OD2 3.36Å; R196-D199 IonicContact CZ-OD2 3.69Å; R196-D199 IonicContact NE-OD2 3.61Å; R196-D199 PolarHBondContact NE-OD2 2.8Å; R196-L200 WeakPolarHBondContact O-CB 3.29Å; R196-L200 PolarHBondContact O-N 3.15Å; R196-Y262 PolarHBondContact N-O 3.44Å; R196-V264 HydrophobicContact CB-CG2 4.4Å; R196-V264 HydrophobicContact CG-CG2 3.29Å
197L95.3Very high94.5Very high6 Ų652.7 Ų52.73%0.03128%0.281CS..Hα-helixtrans-67.1-34-176.8-60.6-172.8000113.2L195 L200 A201 Y210 L218 I231L195-L197 HydrophobicContact CB-CD2 3.97Å; L195-L197 PolarHBondContact O-N 2.74Å; L197-L200 PolarHBondContact O-N 2.89Å; L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 2.76Å; L197-Y210 HydrophobicContact CB-CD2 4.39Å; L197-Y210 HydrophobicContact CB-CE1 4.17Å; L197-Y210 HydrophobicContact CB-CE2 4.04Å; L197-Y210 HydrophobicContact CD1-CD2 4.33Å; L197-Y210 HydrophobicContact CD1-CE2 3.67Å; L197-L218 HydrophobicContact CD1-CB 4.31Å; L197-L218 HydrophobicContact CD2-CB 4.21Å; L197-I231 HydrophobicContact CD2-CG2 3.94Å
198V94.7Very high94.3Very high81 Ų8153.3 Ų53.349%0.49129%0.285SS..Hα-helixtrans-62-52.9179.4179.40000110.2R196 L200 A201 L202 Y210R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 3.24Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.46Å; V198-A201 PolarHBondContact O-N 2.85Å; V198-A201 VanDerWaalsContact O-N 3.15Å; V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.4Å; V198-Y210 HydrophobicContact CG2-CE1 3.87Å
199D95.1Very high94.3Very high66 Ų6654.5 Ų54.535%0.35329%0.293SS..Hα-helixtrans-59.9-41.8178.4-57.5-10.6000111.7R196 A201 L202 A203 Y262R196-D199 HydrophobicContact CB-CB 4.16Å; R196-D199 WeakPolarHBondContact CB-OD2 3.44Å; R196-D199 WeakPolarHBondContact CD-OD2 3.36Å; R196-D199 IonicContact CZ-OD2 3.69Å; R196-D199 IonicContact NE-OD2 3.61Å; R196-D199 PolarHBondContact NE-OD2 2.8Å; D199-A201 PolarHBondContact O-N 2.85Å; D199-L202 PolarHBondContact O-N 3Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.65Å; D199-Y262 HydrophobicContact CB-CD1 3.73Å; D199-Y262 HydrophobicContact CB-CE1 3.92Å
200L95.4Very high94.3Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-62.5-40.9176.9179.165.9000111.9R196 L197 V198 H204 L218 W220 V258 L259 Y262R196-L200 WeakPolarHBondContact O-CB 3.29Å; R196-L200 PolarHBondContact O-N 3.15Å; L197-L200 PolarHBondContact O-N 2.89Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.46Å; L200-H204 PolarHBondContact O-N 3.32Å; L200-L218 HydrophobicContact CB-CD1 4.36Å; L200-L218 HydrophobicContact CD2-CD1 4.04Å; L200-L218 HydrophobicContact CD2-CD2 4.46Å; L200-L218 HydrophobicContact CG-CD1 4.12Å; L200-W220 HydrophobicContact CD1-CZ3 4.34Å; L200-V258 HydrophobicContact CD1-CG1 3.87Å; L200-L259 HydrophobicContact CD2-CD2 3.81Å; L200-Y262 HydrophobicContact CB-CD1 4.34Å; L200-Y262 HydrophobicContact CB-CD2 4.22Å; L200-Y262 HydrophobicContact CB-CG 4.12Å; L200-Y262 HydrophobicContact CD1-CD2 3.52Å; L200-Y262 HydrophobicContact CD1-CE2 3.52Å; L200-Y262 HydrophobicContact CD1-CG 4.27Å; L200-Y262 HydrophobicContact CG-CD2 4.42Å
201A95.2Very high94.3Very high20 Ų2058.5 Ų58.517%0.16531%0.311CS..Hα-helixtrans-67.9-42.4178.200000112.1L197 V198 D199 A203 H204 Y210 L218L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 2.76Å; V198-A201 PolarHBondContact O-N 2.85Å; V198-A201 VanDerWaalsContact O-N 3.15Å; D199-A201 PolarHBondContact O-N 2.85Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 3.03Å; A201-H204 CarbonylContact O-C 3.54Å; A201-H204 PolarHBondContact O-N 2.97Å; A201-Y210 HydrophobicContact CB-CD1 4.45Å; A201-Y210 HydrophobicContact CB-CG 4.44Å; A201-L218 HydrophobicContact CB-CD1 3.87Å
202L95Very high94.3Very high133 Ų13361.7 Ų61.770%0.69633%0.331SS*.Hα-helixtrans-64.7-37.5178.2-70.8173.3000112.2V198 D199V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.4Å; D199-L202 PolarHBondContact O-N 3Å
203A95.5Very high94.4Very high52 Ų5266.5 Ų66.543%0.4335%0.347SS..Hα-helixtrans-76.4-25.3179.600000114D199 A201 P205 Y262D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.65Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 3.03Å; A203-P205 VanDerWaalsContact C-CD 3.45Å; A203-Y262 HydrophobicContact CB-CE1 4.4Å; A203-Y262 WeakPolarHBondContact CB-OH 3.17Å
204H95.1Very high94.4Very high40 Ų4072.5 Ų72.519%0.18538%0.378CS..  trans-12959.5-174.9-63.8-84.1000112.5L200 A201 K206 E207 C208 W220L200-H204 PolarHBondContact O-N 3.32Å; A201-H204 CarbonylContact O-C 3.54Å; A201-H204 PolarHBondContact O-N 2.97Å; H204-K206 PolarHBondContact O-N 3.14Å; H204-K206 VanDerWaalsContact O-N 3.15Å; H204-E207 PolarHBondContact O-N 2.8Å; H204-C208 WeakPolarHBondContact O-CB 3.14Å; H204-C208 PolarHBondContact O-N 3.4Å; H204-C208 PolarHBondContact O-SG 3.48Å; H204-W220 HydrophobicContact CB-CH2 4.33Å; H204-W220 HydrophobicContact CB-CZ3 3.94Å; H204-W220 AromaticContact CG-CZ3 3.97Å
205P93.9Very high94.1Very high99 Ų9973.5 Ų73.564%0.64338%0.382SS*.THydrogen-bonded Turntrans-67.8-16.5-173.728.1-36.4000114A203A203-P205 VanDerWaalsContact C-CD 3.45Å
206K94.1Very high94Very high187 Ų18777.5 Ų77.581%0.81341%0.407SS*.THydrogen-bonded Turntrans-83-38.4179.2-66.9-178.6-179.5177.60111.9H204H204-K206 PolarHBondContact O-N 3.14Å; H204-K206 VanDerWaalsContact O-N 3.15Å
207E93.6Very high93.9Very high67 Ų6771.6 Ų71.631%0.31339%0.385SS..THydrogen-bonded Turntrans-92.3-29.5-176.6-58.676.9-167.200112.1H204 W220 R221H204-E207 PolarHBondContact O-N 2.8Å; E207-W220 HydrophobicContact CB-CD2 4.26Å; E207-W220 HydrophobicContact CB-CE3 4.3Å; E207-W220 HydrophobicContact CB-CH2 3.95Å; E207-W220 HydrophobicContact CB-CZ2 3.93Å; E207-W220 HydrophobicContact CB-CZ3 4.14Å; E207-W220 HydrophobicContact CG-CH2 4.31Å; E207-W220 HydrophobicContact CG-CZ2 4.17Å; E207-W220 CarbonylContact O-C 3.52Å; E207-W220 WeakPolarHBondContact O-CA 3.35Å; E207-R221 PolarHBondContact O-N 2.8Å
208C94Very high94Very high14 Ų1471.3 Ų71.310%0.09538%0.383CS..EExtended strand (participates in β ladder)trans-101.6145.4-174.9-61.80000113.2H204 L218 I219 W220H204-C208 WeakPolarHBondContact O-CB 3.14Å; H204-C208 PolarHBondContact O-N 3.4Å; H204-C208 PolarHBondContact O-SG 3.48Å; C208-L218 HydrophobicContact CB-CD1 4.04Å; C208-L218 HydrophobicContact CB-CD2 4Å; C208-L218 HydrophobicContact CB-CG 4.19Å; C208-I219 CarbonylContact C-O 3.56Å; C208-I219 WeakPolarHBondContact CA-O 3.46Å; C208-W220 WeakPolarHBondContact SG-CZ3 3.3Å
209S94.3Very high94.1Very high46 Ų4669.9 Ų69.932%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-132.3122.6160.8171.90000108.3I219S209-I219 PolarHBondContact N-O 2.8Å; S209-I219 PolarHBondContact O-N 3.02Å
210Y95.6Very high94.1Very high60 Ų6067.7 Ų67.724%0.23536%0.359CS..  trans-131.5105.8-178.7-176.2-123.4000110.1L197 V198 A201 P212 L218L197-Y210 HydrophobicContact CB-CD2 4.39Å; L197-Y210 HydrophobicContact CB-CE1 4.17Å; L197-Y210 HydrophobicContact CB-CE2 4.04Å; L197-Y210 HydrophobicContact CD1-CD2 4.33Å; L197-Y210 HydrophobicContact CD1-CE2 3.67Å; V198-Y210 HydrophobicContact CG2-CE1 3.87Å; A201-Y210 HydrophobicContact CB-CD1 4.45Å; A201-Y210 HydrophobicContact CB-CG 4.44Å; Y210-P212 HydrophobicContact CE1-CB 4.38Å; Y210-P212 HydrophobicContact CE1-CG 4.15Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å; Y210-L218 HydrophobicContact CD2-CB 3.92Å; Y210-L218 HydrophobicContact CG-CB 4.44Å
211E93.3Very high94.2Very high111 Ų11175.4 Ų75.452%0.51939%0.388SS..  trans-126.681.5-178.7-66.3-64.6162.300107.5E213 I214 N215E211-E213 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact O-N 3.14Å; E211-I214 HydrophobicContact CB-CB 4.24Å; E211-I214 HydrophobicContact CB-CD1 4.35Å; E211-I214 HydrophobicContact CB-CG1 4.45Å; E211-I214 PolarHBondContact O-N 3.27Å; E211-N215 PolarHBondContact O-N 3.09Å
212P92.6Very high94.1Very high68 Ų6875.6 Ų75.644%0.44239%0.386SS..THydrogen-bonded Turntrans-58.8-28.4-170.621.2-32.4000113.9Y210 I214 N215Y210-P212 HydrophobicContact CE1-CB 4.38Å; Y210-P212 HydrophobicContact CE1-CG 4.15Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å; P212-I214 VanDerWaalsContact C-N 3.31Å; P212-I214 PolarHBondContact O-N 3.48Å; P212-N215 WeakPolarHBondContact CA-O 3.49Å
213E92.6Very high93.8Very high183 Ų18374 Ų7486%0.85539%0.387SS*.THydrogen-bonded Turntrans-67.5-29.2176.3-61.5-62.2167.400113E211E211-E213 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact O-N 3.14Å
214I92.7Very high93.5Very high147 Ų14776.5 Ų76.575%0.75440%0.401SS*.THydrogen-bonded Turntrans-100.2-38.9-179.4-57.7176.2000110.5E211 P212E211-I214 HydrophobicContact CB-CB 4.24Å; E211-I214 HydrophobicContact CB-CD1 4.35Å; E211-I214 HydrophobicContact CB-CG1 4.45Å; E211-I214 PolarHBondContact O-N 3.27Å; P212-I214 VanDerWaalsContact C-N 3.31Å; P212-I214 PolarHBondContact O-N 3.48Å
215N87.9Confident93.3Very high28 Ų2875.6 Ų75.615%0.1540%0.399CS..  trans-145121.4-174.3-178.2-1000111.5E211 P212 G217 R230E211-N215 PolarHBondContact O-N 3.09Å; P212-N215 WeakPolarHBondContact CA-O 3.49Å; N215-G217 VanDerWaalsContact CG-O 3.3Å; N215-G217 PolarHBondContact ND2-O 3.45Å; N215-G217 PolarHBondContact O-N 3.24Å; N215-G217 VanDerWaalsContact O-N 3.08Å; N215-G217 PolarHBondContact OD1-N 3.5Å; N215-G217 PolarHBondContact OD1-O 2.87Å; N215-R230 PolarHBondContact OD1-NE 3Å; N215-R230 PolarHBondContact OD1-NH2 3.09Å
216T92Very high93.3Very high94 Ų9479.7 Ų79.758%0.57741%0.406SS*.SBendtrans-62.6-15.5178.959.30000115.4
217G93.8Very high93.4Very high1 Ų171 Ų711%0.0137%0.369CS..SBendtrans-117.4147.5179.800000112.3N215 I231N215-G217 VanDerWaalsContact CG-O 3.3Å; N215-G217 PolarHBondContact ND2-O 3.45Å; N215-G217 PolarHBondContact O-N 3.24Å; N215-G217 VanDerWaalsContact O-N 3.08Å; N215-G217 PolarHBondContact OD1-N 3.5Å; N215-G217 PolarHBondContact OD1-O 2.87Å; G217-I231 CarbonylContact C-O 3.32Å; G217-I231 WeakPolarHBondContact CA-O 3.17Å
218L96.6Very high93.5Very high0 Ų070.8 Ų70.80%037%0.372CS..EExtended strand (participates in β ladder)trans-69.3134.4171.7-177.3150.8000109.9L197 L200 A201 C208 Y210 W220 R230 I231L197-L218 HydrophobicContact CD1-CB 4.31Å; L197-L218 HydrophobicContact CD2-CB 4.21Å; L200-L218 HydrophobicContact CB-CD1 4.36Å; L200-L218 HydrophobicContact CD2-CD1 4.04Å; L200-L218 HydrophobicContact CD2-CD2 4.46Å; L200-L218 HydrophobicContact CG-CD1 4.12Å; A201-L218 HydrophobicContact CB-CD1 3.87Å; C208-L218 HydrophobicContact CB-CD1 4.04Å; C208-L218 HydrophobicContact CB-CD2 4Å; C208-L218 HydrophobicContact CB-CG 4.19Å; Y210-L218 HydrophobicContact CD2-CB 3.92Å; Y210-L218 HydrophobicContact CG-CB 4.44Å; L218-W220 HydrophobicContact CD2-CB 4.06Å; L218-R230 CarbonylContact O-C 3.57Å; L218-R230 WeakPolarHBondContact O-CA 3.33Å; L218-I231 HydrophobicContact CD2-CD1 3.95Å; L218-I231 PolarHBondContact N-O 2.98Å; L218-I231 PolarHBondContact O-N 3.42Å
219I96.9Very high93.6Very high52 Ų5270.1 Ų70.127%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-95.4114.2173.3-57.9177.7000108C208 S209 T228C208-I219 CarbonylContact C-O 3.56Å; C208-I219 WeakPolarHBondContact CA-O 3.46Å; S209-I219 PolarHBondContact N-O 2.8Å; S209-I219 PolarHBondContact O-N 3.02Å; I219-T228 HydrophobicContact CG2-CG2 3.69Å
220W96.6Very high93.7Very high20 Ų2072.8 Ų72.88%0.07637%0.371CS..EExtended strand (participates in β ladder)trans-101.3124.5172.8178.9-76.8000110L200 H204 E207 C208 L218 L229 I231 L255 V258L200-W220 HydrophobicContact CD1-CZ3 4.34Å; H204-W220 HydrophobicContact CB-CH2 4.33Å; H204-W220 HydrophobicContact CB-CZ3 3.94Å; H204-W220 AromaticContact CG-CZ3 3.97Å; E207-W220 HydrophobicContact CB-CD2 4.26Å; E207-W220 HydrophobicContact CB-CE3 4.3Å; E207-W220 HydrophobicContact CB-CH2 3.95Å; E207-W220 HydrophobicContact CB-CZ2 3.93Å; E207-W220 HydrophobicContact CB-CZ3 4.14Å; E207-W220 HydrophobicContact CG-CH2 4.31Å; E207-W220 HydrophobicContact CG-CZ2 4.17Å; E207-W220 CarbonylContact O-C 3.52Å; E207-W220 WeakPolarHBondContact O-CA 3.35Å; C208-W220 WeakPolarHBondContact SG-CZ3 3.3Å; L218-W220 HydrophobicContact CD2-CB 4.06Å; W220-L229 HydrophobicContact CB-CB 4.14Å; W220-L229 PolarHBondContact N-O 3.07Å; W220-L229 PolarHBondContact O-N 3.48Å; W220-I231 HydrophobicContact CB-CD1 3.75Å; W220-I231 HydrophobicContact CG-CD1 4.41Å; W220-L255 HydrophobicContact CD2-CD1 3.77Å; W220-L255 HydrophobicContact CE3-CD1 4.06Å; W220-L255 HydrophobicContact CG-CD1 4.21Å; W220-L255 HydrophobicContact CH2-CD1 4.46Å; W220-L255 HydrophobicContact CZ2-CD1 4.16Å; W220-L255 HydrophobicContact CZ3-CD1 4.41Å; W220-V258 HydrophobicContact CH2-CG1 4.24Å; W220-V258 HydrophobicContact CZ3-CG1 4.39Å
221R95.9Very high93.8Very high161 Ų16170 Ų7061%0.60836%0.36SS*.EExtended strand (participates in β ladder)trans-100.4106.1178.2-65.3-179.5-180166.91.8109.4E207E207-R221 PolarHBondContact O-N 2.8Å
222N93Very high93.9Very high24 Ų2466.4 Ų66.413%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-81.3131.7174.6-167.545.5000110.3S224 P225 K226 L227 L229N222-S224 VanDerWaalsContact ND2-C 3.31Å; N222-S224 PolarHBondContact ND2-O 2.84Å; N222-S224 VanDerWaalsContact ND2-O 3.12Å; N222-P225 WeakPolarHBondContact ND2-CD 3.39Å; N222-P225 PolarHBondContact ND2-O 3.42Å; N222-K226 WeakPolarHBondContact O-CA 3.46Å; N222-L227 HydrophobicContact CB-CB 4.25Å; N222-L227 PolarHBondContact N-O 2.78Å; N222-L227 PolarHBondContact O-N 2.81Å; N222-L229 HydrophobicContact CB-CD1 3.86Å
223S90.4Very high94Very high101 Ų10166.3 Ų66.371%0.70634%0.344SS*.THydrogen-bonded Turntrans-81.1-39.5-175.6-68.30000113.1K226S223-K226 VanDerWaalsContact O-CG 3.32Å; S223-K226 WeakPolarHBondContact O-CG 3.43Å
224S88.9Confident94Very high103 Ų10360.7 Ų60.772%0.7232%0.322SS*.THydrogen-bonded Turntrans-143.1113.1-179.8-168.90000110N222N222-S224 VanDerWaalsContact ND2-C 3.31Å; N222-S224 PolarHBondContact ND2-O 2.84Å; N222-S224 VanDerWaalsContact ND2-O 3.12Å
225P90.4Very high94.1Very high22 Ų2253.7 Ų53.714%0.14329%0.286CS..THydrogen-bonded Turncis-62.6152.1-11.426.7-34.4000112.3N222 L227 N247N222-P225 WeakPolarHBondContact ND2-CD 3.39Å; N222-P225 PolarHBondContact ND2-O 3.42Å; P225-L227 HydrophobicContact CB-CD1 4.49Å; P225-L227 HydrophobicContact CB-CD2 4.42Å; P225-L227 HydrophobicContact CB-CG 4.11Å; P225-L227 HydrophobicContact CG-CD1 3.8Å; P225-L227 HydrophobicContact CG-CG 3.9Å; P225-L227 PolarHBondContact O-N 3.4Å; P225-N247 HydrophobicContact CB-CB 4.09Å; P225-N247 HydrophobicContact CG-CB 3.81Å
226K93.8Very high94.4Very high184 Ų18454.2 Ų54.280%0.829%0.292SS*.THydrogen-bonded Turntrans-66.290.9177.2-70.4-176.9-179.11790111.1N222 S223N222-K226 WeakPolarHBondContact O-CA 3.46Å; S223-K226 VanDerWaalsContact O-CG 3.32Å; S223-K226 WeakPolarHBondContact O-CG 3.43Å
227L96Very high94.6Very high6 Ų649.8 Ų49.83%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-128.9155.3-176.9-55.5-174.9000111.2N222 P225 L229 I239 G241 A242 N247 A251N222-L227 HydrophobicContact CB-CB 4.25Å; N222-L227 PolarHBondContact N-O 2.78Å; N222-L227 PolarHBondContact O-N 2.81Å; P225-L227 HydrophobicContact CB-CD1 4.49Å; P225-L227 HydrophobicContact CB-CD2 4.42Å; P225-L227 HydrophobicContact CB-CG 4.11Å; P225-L227 HydrophobicContact CG-CD1 3.8Å; P225-L227 HydrophobicContact CG-CG 3.9Å; P225-L227 PolarHBondContact O-N 3.4Å; L227-L229 HydrophobicContact CB-CD1 4Å; L227-I239 HydrophobicContact CD1-CG2 4Å; L227-G241 WeakPolarHBondContact CD2-O 3.12Å; L227-A242 HydrophobicContact CD1-CB 4.35Å; L227-A242 HydrophobicContact CD2-CB 3.68Å; L227-A242 VanDerWaalsContact CD2-N 3.31Å; L227-N247 WeakPolarHBondContact CD1-O 3.43Å; L227-A251 HydrophobicContact CD1-CB 3.53Å
228T96.2Very high94.7Very high62 Ų6251.8 Ų51.838%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-113.6120.7172.1-56.80000109.1I219 T240I219-T228 HydrophobicContact CG2-CG2 3.69Å; T228-T240 PolarHBondContact N-O 3.2Å; T228-T240 PolarHBondContact O-N 3.17Å; T228-T240 PolarHBondContact O-OG1 3.34Å; T228-T240 VanDerWaalsContact O-OG1 3.06Å
229L96.5Very high94.7Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-109.6126.7178.6-64.988.7000108.6W220 N222 L227 V237 T238 I239 L255W220-L229 HydrophobicContact CB-CB 4.14Å; W220-L229 PolarHBondContact N-O 3.07Å; W220-L229 PolarHBondContact O-N 3.48Å; N222-L229 HydrophobicContact CB-CD1 3.86Å; L227-L229 HydrophobicContact CB-CD1 4Å; L229-V237 HydrophobicContact CD2-CG1 4.42Å; L229-T238 CarbonylContact C-O 3.58Å; L229-T238 WeakPolarHBondContact CA-O 3.49Å; L229-I239 HydrophobicContact CD2-CD1 3.99Å; L229-I239 HydrophobicContact CD2-CG1 3.73Å; L229-I239 HydrophobicContact CD2-CG2 4.45Å; L229-I239 HydrophobicContact CG-CB 4.42Å; L229-I239 HydrophobicContact CG-CG1 3.98Å; L229-I239 HydrophobicContact CG-CG2 4.17Å; L229-L255 HydrophobicContact CB-CD2 4.35Å; L229-L255 HydrophobicContact CD2-CD2 3.43Å; L229-L255 VanDerWaalsContact CD2-CD2 3.43Å; L229-L255 HydrophobicContact CG-CD2 4.45Å
230R96.6Very high94.7Very high102 Ų10251.2 Ų51.239%0.38528%0.276SS..EExtended strand (participates in β ladder)trans-104.8117.2174.7-174.3176.2-177.8179.8-5.9108.9N215 L218 V237 T238N215-R230 PolarHBondContact OD1-NE 3Å; N215-R230 PolarHBondContact OD1-NH2 3.09Å; L218-R230 CarbonylContact O-C 3.57Å; L218-R230 WeakPolarHBondContact O-CA 3.33Å; R230-V237 CarbonylContact O-C 3.41Å; R230-V237 WeakPolarHBondContact O-CA 3.48Å; R230-T238 PolarHBondContact N-O 3.05Å; R230-T238 PolarHBondContact O-N 3.03Å
231I96.7Very high94.6Very high0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-112.7125.9-172.3-57.6156.3000108.5L195 L197 G217 L218 W220 V237 L255 L259L195-I231 HydrophobicContact CD1-CG2 3.34Å; L197-I231 HydrophobicContact CD2-CG2 3.94Å; G217-I231 CarbonylContact C-O 3.32Å; G217-I231 WeakPolarHBondContact CA-O 3.17Å; L218-I231 HydrophobicContact CD2-CD1 3.95Å; L218-I231 PolarHBondContact N-O 2.98Å; L218-I231 PolarHBondContact O-N 3.42Å; W220-I231 HydrophobicContact CB-CD1 3.75Å; W220-I231 HydrophobicContact CG-CD1 4.41Å; I231-V237 HydrophobicContact CG1-CG1 4.18Å; I231-V237 HydrophobicContact CG1-CG2 4.31Å; I231-V237 HydrophobicContact CG2-CG2 4.34Å; I231-L255 HydrophobicContact CD1-CD1 4.39Å; I231-L255 HydrophobicContact CD1-CD2 3.96Å; I231-L255 HydrophobicContact CG1-CD2 4.4Å; I231-L259 HydrophobicContact CD1-CD2 4.12Å; I231-L259 HydrophobicContact CG2-CD2 4.43Å
232H96Very high94.5Very high37 Ų3744.2 Ų44.217%0.17126%0.26CS..  trans-101.3153.5176.4-66.5-86.6000111T234 G235 S236H232-T234 PolarHBondContact O-N 2.91Å; H232-T234 VanDerWaalsContact O-N 3.1Å; H232-G235 PolarHBondContact O-N 3.49Å; H232-S236 PolarHBondContact N-O 3.15Å
233S94.4Very high94.6Very high65 Ų6546.7 Ų46.746%0.45528%0.276SS..THydrogen-bonded Turntrans-58.7-24.3177.154.60000112.7G194 L195 G235G194-S233 CarbonylContact C-O 3.52Å; G194-S233 VanDerWaalsContact CA-O 3.24Å; G194-S233 WeakPolarHBondContact CA-O 3.44Å; L195-S233 PolarHBondContact N-O 2.81Å; S233-G235 PolarHBondContact O-N 2.83Å
234T93.4Very high94.8Very high65 Ų6543.5 Ų43.540%0.39925%0.254SS..THydrogen-bonded Turntrans-73.2-0.3172.865.70000113.5K190 H232 S236 Y266K190-T234 PolarHBondContact NZ-O 2.8Å; H232-T234 PolarHBondContact O-N 2.91Å; H232-T234 VanDerWaalsContact O-N 3.1Å; T234-S236 PolarHBondContact O-N 3.08Å; T234-S236 PolarHBondContact OG1-OG 3.33Å; T234-Y266 PolarHBondContact O-OH 2.83Å
235G93.3Very high95Very high0 Ų043.3 Ų43.30%024%0.242CC..SBendtrans75.78-174.600000114.5L191 F193 H232 S233L191-G235 WeakPolarHBondContact CB-O 3.12Å; L191-G235 VanDerWaalsContact CG-O 3.31Å; L191-G235 WeakPolarHBondContact CG-O 3.3Å; L191-G235 PolarHBondContact N-O 3.06Å; F193-G235 WeakPolarHBondContact O-CA 3.34Å; H232-G235 PolarHBondContact O-N 3.49Å; S233-G235 PolarHBondContact O-N 2.83Å
236S94.8Very high95.2Very high39 Ų3945.3 Ų45.327%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-76.9129.3167.7-60.60000109.9K190 H232 T234K190-S236 WeakPolarHBondContact CD-OG 3.38Å; K190-S236 PolarHBondContact NZ-OG 3.03Å; H232-S236 PolarHBondContact N-O 3.15Å; T234-S236 PolarHBondContact O-N 3.08Å; T234-S236 PolarHBondContact OG1-OG 3.33Å
237V96.4Very high95.2Very high1 Ų138.8 Ų38.81%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-122.2130179.9-175.60000109.5S188 C189 L191 L229 R230 I231 I239 L259S188-V237 CarbonylContact C-O 3.57Å; S188-V237 WeakPolarHBondContact CA-O 3.4Å; C189-V237 HydrophobicContact CB-CB 4.24Å; C189-V237 PolarHBondContact N-O 2.86Å; C189-V237 PolarHBondContact O-N 2.85Å; L191-V237 HydrophobicContact CD1-CG2 3.97Å; L191-V237 HydrophobicContact CG-CG2 4.33Å; L229-V237 HydrophobicContact CD2-CG1 4.42Å; R230-V237 CarbonylContact O-C 3.41Å; R230-V237 WeakPolarHBondContact O-CA 3.48Å; I231-V237 HydrophobicContact CG1-CG1 4.18Å; I231-V237 HydrophobicContact CG1-CG2 4.31Å; I231-V237 HydrophobicContact CG2-CG2 4.34Å; V237-I239 HydrophobicContact CG1-CG1 4.22Å; V237-L259 HydrophobicContact CG2-CD1 4.37Å
238T96.6Very high95.2Very high44 Ų4438.5 Ų38.527%0.2723%0.233SC..EExtended strand (participates in β ladder)trans-114.5125172.6-55.50000109.6M186 A187 L229 R230 T240M186-T238 HydrophobicContact CG-CG2 4.12Å; M186-T238 HydrophobicContact SD-CG2 4.47Å; A187-T238 CarbonylContact O-C 3.56Å; A187-T238 WeakPolarHBondContact O-CA 3.45Å; L229-T238 CarbonylContact C-O 3.58Å; L229-T238 WeakPolarHBondContact CA-O 3.49Å; R230-T238 PolarHBondContact N-O 3.05Å; R230-T238 PolarHBondContact O-N 3.03Å; T238-T240 HydrophobicContact CG2-CG2 4.25Å
239I96.8Very high95Very high0 Ų039.3 Ų39.30%023%0.234CC..EExtended strand (participates in β ladder)trans-107.3130.5-177.8-53176000107.8L90 M186 A187 L227 L229 V237 V248 M252L90-I239 HydrophobicContact CD1-CD1 4.3Å; M186-I239 VanDerWaalsContact CA-O 3.29Å; M186-I239 WeakPolarHBondContact CA-O 3.38Å; A187-I239 HydrophobicContact CB-CB 4.45Å; A187-I239 PolarHBondContact N-O 3.09Å; A187-I239 PolarHBondContact O-N 2.87Å; L227-I239 HydrophobicContact CD1-CG2 4Å; L229-I239 HydrophobicContact CD2-CD1 3.99Å; L229-I239 HydrophobicContact CD2-CG1 3.73Å; L229-I239 HydrophobicContact CD2-CG2 4.45Å; L229-I239 HydrophobicContact CG-CB 4.42Å; L229-I239 HydrophobicContact CG-CG1 3.98Å; L229-I239 HydrophobicContact CG-CG2 4.17Å; V237-I239 HydrophobicContact CG1-CG1 4.22Å; I239-V248 HydrophobicContact CB-CG1 4.4Å; I239-V248 HydrophobicContact CD1-CG1 3.73Å; I239-V248 HydrophobicContact CG2-CG1 4.28Å; I239-M252 HydrophobicContact CD1-CB 4.48Å; I239-M252 HydrophobicContact CD1-SD 4.43Å
240T95.9Very high94.9Very high39 Ų3942.1 Ų42.124%0.23925%0.254CS..EExtended strand (participates in β ladder)trans-137.4154.818058.60000111.4M186 T228 T238M186-T240 HydrophobicContact CB-CG2 4.43Å; M186-T240 HydrophobicContact CE-CG2 3.72Å; M186-T240 HydrophobicContact CG-CG2 4.02Å; T228-T240 PolarHBondContact N-O 3.2Å; T228-T240 PolarHBondContact O-N 3.17Å; T228-T240 PolarHBondContact O-OG1 3.34Å; T228-T240 VanDerWaalsContact O-OG1 3.06Å; T238-T240 HydrophobicContact CG2-CG2 4.25Å
241G94Very high94.8Very high35 Ų3537.3 Ų37.336%0.36124%0.236SC..EExtended strand (participates in β ladder)trans96.11177.800000114.3N184 L227N184-G241 VanDerWaalsContact OD1-CA 3.3Å; N184-G241 WeakPolarHBondContact OD1-CA 3.44Å; N184-G241 PolarHBondContact OD1-N 2.81Å; L227-G241 WeakPolarHBondContact CD2-O 3.12Å
242A94.9Very high94.6Very high0 Ų037.7 Ų37.70%024%0.238CC..EExtended strand (participates in β ladder)trans-76.3143.8-177.900000111.5N184 M185 L227 N247 V248N184-A242 CarbonylContact C-O 3.56Å; N184-A242 VanDerWaalsContact C-O 3.32Å; N184-A242 WeakPolarHBondContact CA-O 3.38Å; M185-A242 HydrophobicContact CB-CB 4.17Å; M185-A242 WeakPolarHBondContact CB-O 3.48Å; M185-A242 PolarHBondContact N-O 3.5Å; L227-A242 HydrophobicContact CD1-CB 4.35Å; L227-A242 HydrophobicContact CD2-CB 3.68Å; L227-A242 VanDerWaalsContact CD2-N 3.31Å; A242-N247 HydrophobicContact CB-CB 4.24Å; A242-V248 HydrophobicContact CB-CG2 3.42Å; A242-V248 VanDerWaalsContact CB-CG2 3.42Å
243T94.8Very high94.5Very high76 Ų7641.5 Ų41.547%0.46626%0.259SS..SBendtrans-100.1-12.4174.851.50000113I182 N247I182-T243 WeakPolarHBondContact CB-O 3.28Å; T243-N247 PolarHBondContact OG1-ND2 3Å; T243-N247 VanDerWaalsContact OG1-ND2 3.16Å
244S94.2Very high94.4Very high33 Ų3341.3 Ų41.323%0.23126%0.258CS..SBendtrans-148.5156.6179.363.80000110.4E153 A246 N247E153-S244 WeakPolarHBondContact OE1-CA 2.97Å; S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 3.21Å; S244-N247 PolarHBondContact O-N 3.48Å; S244-N247 PolarHBondContact OG-N 2.85Å; S244-N247 PolarHBondContact OG-ND2 3.35Å
245E93.4Very high94.4Very high99 Ų9938.3 Ų38.346%0.46324%0.239SC..Hα-helixtrans-61.6-35.2173.6-170.6170.7170.600112.5E153 M185 N247 V248 L249E153-E245 PolarHBondContact OE1-N 2.84Å; E153-E245 VanDerWaalsContact OE1-N 3.11Å; M185-E245 HydrophobicContact CE-CB 4.29Å; M185-E245 HydrophobicContact SD-CB 4.26Å; E245-N247 VanDerWaalsContact C-N 3.3Å; E245-N247 PolarHBondContact O-N 3.1Å; E245-V248 WeakPolarHBondContact O-CB 3.27Å; E245-V248 PolarHBondContact O-N 3.33Å; E245-L249 PolarHBondContact O-N 3.44Å; E245-L249 VanDerWaalsContact O-N 3.09Å
246A94Very high94.4Very high64 Ų6440 Ų4053%0.52925%0.246SC..Hα-helixtrans-59.8-37.2176.300000113.1S244 V248 L249 S250S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 3.21Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.24Å; A246-L249 PolarHBondContact O-N 3.37Å; A246-S250 WeakPolarHBondContact O-CB 3.45Å; A246-S250 PolarHBondContact O-N 3.43Å
247N94.9Very high94.3Very high47 Ų4741.4 Ų41.425%0.25126%0.255SS..Hα-helixtrans-65.5-35.6176.1-76.3-14.2000111.8P225 L227 A242 T243 S244 E245 A251P225-N247 HydrophobicContact CB-CB 4.09Å; P225-N247 HydrophobicContact CG-CB 3.81Å; L227-N247 WeakPolarHBondContact CD1-O 3.43Å; A242-N247 HydrophobicContact CB-CB 4.24Å; T243-N247 PolarHBondContact OG1-ND2 3Å; T243-N247 VanDerWaalsContact OG1-ND2 3.16Å; S244-N247 PolarHBondContact O-N 3.48Å; S244-N247 PolarHBondContact OG-N 2.85Å; S244-N247 PolarHBondContact OG-ND2 3.35Å; E245-N247 VanDerWaalsContact C-N 3.3Å; E245-N247 PolarHBondContact O-N 3.1Å; N247-A251 WeakPolarHBondContact O-CB 3.39Å; N247-A251 PolarHBondContact O-N 2.89Å
248V94.7Very high94.2Very high1 Ų142.6 Ų42.61%0.00626%0.262CS..Hα-helixtrans-65.8-46.5176.2-179.60000110.4L90 M185 A187 I239 A242 E245 A246 A251 M252L90-V248 HydrophobicContact CD1-CG1 3.96Å; L90-V248 HydrophobicContact CD2-CG1 4.03Å; L90-V248 HydrophobicContact CG-CG1 4.47Å; M185-V248 HydrophobicContact SD-CG2 3.96Å; A187-V248 HydrophobicContact CB-CG1 3.55Å; A187-V248 HydrophobicContact CB-CG2 4.37Å; I239-V248 HydrophobicContact CB-CG1 4.4Å; I239-V248 HydrophobicContact CD1-CG1 3.73Å; I239-V248 HydrophobicContact CG2-CG1 4.28Å; A242-V248 HydrophobicContact CB-CG2 3.42Å; A242-V248 VanDerWaalsContact CB-CG2 3.42Å; E245-V248 WeakPolarHBondContact O-CB 3.27Å; E245-V248 PolarHBondContact O-N 3.33Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.24Å; V248-A251 PolarHBondContact O-N 3.33Å; V248-M252 PolarHBondContact O-N 3.09Å; V248-M252 VanDerWaalsContact O-N 3.07Å
249L93.4Very high94.1Very high78 Ų7840.5 Ų40.541%0.40825%0.249SC..Hα-helixtrans-61.5-51.9179.2-70.3168.2000111.5L90 E245 A246 A251 M252 D253L90-L249 HydrophobicContact CD2-CD2 3.48Å; L90-L249 VanDerWaalsContact CD2-CD2 3.48Å; L90-L249 HydrophobicContact CD2-CG 4.23Å; E245-L249 PolarHBondContact O-N 3.44Å; E245-L249 VanDerWaalsContact O-N 3.09Å; A246-L249 PolarHBondContact O-N 3.37Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 3.36Å; L249-M252 WeakPolarHBondContact O-CA 3.48Å; L249-M252 WeakPolarHBondContact O-CB 3.38Å; L249-M252 PolarHBondContact O-N 3.02Å; L249-D253 PolarHBondContact O-N 3.18Å
250S93.6Very high93.9Very high60 Ų6042.3 Ų42.342%0.4226%0.258SS..Hα-helixtrans-57.5-40.7179.6174.80000112.9A246 D253 S254A246-S250 WeakPolarHBondContact O-CB 3.45Å; A246-S250 PolarHBondContact O-N 3.43Å; S250-D253 PolarHBondContact O-N 2.88Å; S250-S254 PolarHBondContact O-N 3.24Å; S250-S254 VanDerWaalsContact O-N 3.09Å; S250-S254 PolarHBondContact O-OG 2.87Å
251A94.1Very high93.9Very high0 Ų049.4 Ų49.40%028%0.281CS..Hα-helixtrans-66.7-39.117600000112.2L227 N247 V248 L249 S254 L255L227-A251 HydrophobicContact CD1-CB 3.53Å; N247-A251 WeakPolarHBondContact O-CB 3.39Å; N247-A251 PolarHBondContact O-N 2.89Å; V248-A251 PolarHBondContact O-N 3.33Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 3.36Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.88Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.33Å; A251-L255 PolarHBondContact O-N 2.75Å
252M93.7Very high93.9Very high9 Ų949.5 Ų49.54%0.04427%0.27CS..Hα-helixtrans-65.9-42176.2-16863.1-14900111.8I88 C189 L191 I239 V248 L249 S254 L255 Y256I88-M252 HydrophobicContact CD1-CE 4.27Å; C189-M252 HydrophobicContact CB-SD 4.41Å; L191-M252 HydrophobicContact CD2-CE 3.74Å; I239-M252 HydrophobicContact CD1-CB 4.48Å; I239-M252 HydrophobicContact CD1-SD 4.43Å; V248-M252 PolarHBondContact O-N 3.09Å; V248-M252 VanDerWaalsContact O-N 3.07Å; L249-M252 WeakPolarHBondContact O-CA 3.48Å; L249-M252 WeakPolarHBondContact O-CB 3.38Å; L249-M252 PolarHBondContact O-N 3.02Å; M252-S254 VanDerWaalsContact C-N 3.3Å; M252-S254 PolarHBondContact O-N 3.39Å; M252-L255 PolarHBondContact O-N 2.9Å; M252-Y256 HydrophobicContact CE-CD2 3.79Å; M252-Y256 HydrophobicContact CE-CG 4.38Å; M252-Y256 VanDerWaalsContact O-CB 3.28Å; M252-Y256 WeakPolarHBondContact O-CB 3.33Å; M252-Y256 PolarHBondContact O-N 3.03Å
253D92.5Very high93.8Very high116 Ų11655.6 Ų55.662%0.6230%0.297SS*.Hα-helixtrans-61.4-38.1177-67.8-24.3000111.9L249 S250 P257L249-D253 PolarHBondContact O-N 3.18Å; S250-D253 PolarHBondContact O-N 2.88Å; D253-P257 WeakPolarHBondContact O-CD 3.49Å
254S92.5Very high93.7Very high62 Ų6254.8 Ų54.843%0.43429%0.292SS..Hα-helixtrans-72.7-35.917671.80000113.4S250 A251 M252S250-S254 PolarHBondContact O-N 3.24Å; S250-S254 VanDerWaalsContact O-N 3.09Å; S250-S254 PolarHBondContact O-OG 2.87Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.88Å; M252-S254 VanDerWaalsContact C-N 3.3Å; M252-S254 PolarHBondContact O-N 3.39Å
255L93.2Very high93.2Very high1 Ų157.2 Ų57.21%0.00531%0.314CS..Hα-helixtrans-82.9-36-174.7178.662000112.1W220 L229 I231 A251 M252 V258 L259W220-L255 HydrophobicContact CD2-CD1 3.77Å; W220-L255 HydrophobicContact CE3-CD1 4.06Å; W220-L255 HydrophobicContact CG-CD1 4.21Å; W220-L255 HydrophobicContact CH2-CD1 4.46Å; W220-L255 HydrophobicContact CZ2-CD1 4.16Å; W220-L255 HydrophobicContact CZ3-CD1 4.41Å; L229-L255 HydrophobicContact CB-CD2 4.35Å; L229-L255 HydrophobicContact CD2-CD2 3.43Å; L229-L255 VanDerWaalsContact CD2-CD2 3.43Å; L229-L255 HydrophobicContact CG-CD2 4.45Å; I231-L255 HydrophobicContact CD1-CD1 4.39Å; I231-L255 HydrophobicContact CD1-CD2 3.96Å; I231-L255 HydrophobicContact CG1-CD2 4.4Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.33Å; A251-L255 PolarHBondContact O-N 2.75Å; M252-L255 PolarHBondContact O-N 2.9Å; L255-V258 WeakPolarHBondContact O-CB 3.34Å; L255-V258 PolarHBondContact O-N 3.27Å; L255-L259 HydrophobicContact CD1-CD1 4.41Å; L255-L259 HydrophobicContact CD1-CD2 4.04Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CD2-CD1 3.96Å; L255-L259 HydrophobicContact CD2-CG 4.43Å; L255-L259 HydrophobicContact CG-CD1 3.78Å; L255-L259 HydrophobicContact CG-CD2 4.31Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.15Å; L255-L259 PolarHBondContact O-N 3.23Å
256Y93.3Very high92.1Very high35 Ų3557.8 Ų57.814%0.13731%0.313CS..Hα-helixtrans-54.4-45.5-173.8-173.6-108.1000114.2L84 I88 L191 F193 M252 V258 L259 L260L84-Y256 HydrophobicContact CD2-CE1 4.14Å; L84-Y256 WeakPolarHBondContact CD2-OH 3.33Å; I88-Y256 HydrophobicContact CD1-CD1 4.35Å; I88-Y256 HydrophobicContact CD1-CD2 3.39Å; I88-Y256 HydrophobicContact CD1-CE1 4.26Å; I88-Y256 HydrophobicContact CD1-CE2 3.29Å; I88-Y256 HydrophobicContact CD1-CG 3.94Å; I88-Y256 HydrophobicContact CG1-CE2 4.04Å; L191-Y256 HydrophobicContact CD2-CD2 3.85Å; L191-Y256 HydrophobicContact CD2-CE2 3.77Å; F193-Y256 HydrophobicContact CE1-CE2 4.34Å; F193-Y256 HydrophobicContact CZ-CE2 4.16Å; M252-Y256 HydrophobicContact CE-CD2 3.79Å; M252-Y256 HydrophobicContact CE-CG 4.38Å; M252-Y256 VanDerWaalsContact O-CB 3.28Å; M252-Y256 WeakPolarHBondContact O-CB 3.33Å; M252-Y256 PolarHBondContact O-N 3.03Å; Y256-V258 VanDerWaalsContact C-N 3.28Å; Y256-V258 PolarHBondContact O-N 2.7Å; Y256-L259 PolarHBondContact O-N 2.88Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; Y256-L260 HydrophobicContact CD1-CG 4.32Å; Y256-L260 HydrophobicContact CE1-CD1 3.55Å; Y256-L260 HydrophobicContact CE1-CD2 4.29Å; Y256-L260 HydrophobicContact CE1-CG 4Å; Y256-L260 WeakPolarHBondContact O-CG 3.44Å; Y256-L260 PolarHBondContact O-N 2.82Å
257P93.4Very high90.2Very high70 Ų7064.1 Ų64.146%0.45532%0.323SS..Hα-helixtrans-62.1-33.3176.7-22.634.6000113.5D253D253-P257 WeakPolarHBondContact O-CD 3.49Å
258V94.1Very high88.1Confident26 Ų2667 Ų6716%0.15835%0.347CS..Hα-helixtrans-67.4-47.3175.6-177.50000109.5L200 W220 L255 Y256 L260 R261 Y262L200-V258 HydrophobicContact CD1-CG1 3.87Å; W220-V258 HydrophobicContact CH2-CG1 4.24Å; W220-V258 HydrophobicContact CZ3-CG1 4.39Å; L255-V258 WeakPolarHBondContact O-CB 3.34Å; L255-V258 PolarHBondContact O-N 3.27Å; Y256-V258 VanDerWaalsContact C-N 3.28Å; Y256-V258 PolarHBondContact O-N 2.7Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.67Å; V258-R261 WeakPolarHBondContact O-CB 3.31Å; V258-R261 PolarHBondContact O-N 3.23Å; V258-Y262 HydrophobicContact CG1-CE2 4.28Å; V258-Y262 VanDerWaalsContact O-CD2 3.27Å; V258-Y262 WeakPolarHBondContact O-CD2 3.24Å
259L94.5Very high85.5Confident0 Ų070.8 Ų70.80%039%0.386CS..Hα-helixtrans-62.7-35.1-179.3-63.9-175000113L191 L195 L200 I231 V237 L255 Y256 R261 Y262 K263L191-L259 HydrophobicContact CD1-CB 4.48Å; L191-L259 HydrophobicContact CD1-CD1 3.58Å; L195-L259 HydrophobicContact CD1-CD1 4.39Å; L195-L259 HydrophobicContact CD1-CD2 4.03Å; L195-L259 HydrophobicContact CD2-CB 4.09Å; L195-L259 HydrophobicContact CD2-CD2 4.34Å; L195-L259 WeakPolarHBondContact CD2-O 3.33Å; L200-L259 HydrophobicContact CD2-CD2 3.81Å; I231-L259 HydrophobicContact CD1-CD2 4.12Å; I231-L259 HydrophobicContact CG2-CD2 4.43Å; V237-L259 HydrophobicContact CG2-CD1 4.37Å; L255-L259 HydrophobicContact CD1-CD1 4.41Å; L255-L259 HydrophobicContact CD1-CD2 4.04Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CD2-CD1 3.96Å; L255-L259 HydrophobicContact CD2-CG 4.43Å; L255-L259 HydrophobicContact CG-CD1 3.78Å; L255-L259 HydrophobicContact CG-CD2 4.31Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.15Å; L255-L259 PolarHBondContact O-N 3.23Å; Y256-L259 PolarHBondContact O-N 2.88Å; L259-R261 PolarHBondContact O-N 3.22Å; L259-Y262 PolarHBondContact O-N 3.23Å; L259-Y262 VanDerWaalsContact O-N 3.09Å; L259-K263 PolarHBondContact O-N 3.25Å
260L93.7Very high82.6Confident38 Ų3870.7 Ų70.720%0.19940%0.404CS..Hα-helixtrans-58.1-32.1176.7-78.5172.5000113.1L84 F193 Y256 V258 Y262 K263L84-L260 HydrophobicContact CD1-CD1 3.79Å; L84-L260 HydrophobicContact CD2-CD1 4.11Å; L84-L260 HydrophobicContact CD2-CD2 3.87Å; F193-L260 HydrophobicContact CE1-CD2 3.59Å; F193-L260 HydrophobicContact CZ-CD2 3.7Å; F193-L260 HydrophobicContact CZ-CG 4.35Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; Y256-L260 HydrophobicContact CD1-CG 4.32Å; Y256-L260 HydrophobicContact CE1-CD1 3.55Å; Y256-L260 HydrophobicContact CE1-CD2 4.29Å; Y256-L260 HydrophobicContact CE1-CG 4Å; Y256-L260 WeakPolarHBondContact O-CG 3.44Å; Y256-L260 PolarHBondContact O-N 2.82Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.67Å; L260-Y262 PolarHBondContact O-N 2.96Å; L260-K263 WeakPolarHBondContact O-CG 3.44Å; L260-K263 PolarHBondContact O-N 3.5Å
261R94.5Very high79.6Confident187 Ų18773.2 Ų73.271%0.70642%0.417SS*.Hα-helixtrans-68.2-24.2178.7-61.8179-177.7-177-1113.1V258 L259V258-R261 WeakPolarHBondContact O-CB 3.31Å; V258-R261 PolarHBondContact O-N 3.23Å; L259-R261 PolarHBondContact O-N 3.22Å
262Y94.7Very high76.8Confident37 Ų3780.6 Ų80.615%0.14546%0.455CS..THydrogen-bonded Turntrans-110.618.1-177-56.4-83.7000112.8R196 D199 L200 A203 V258 L259 L260R196-Y262 PolarHBondContact N-O 3.44Å; D199-Y262 HydrophobicContact CB-CD1 3.73Å; D199-Y262 HydrophobicContact CB-CE1 3.92Å; L200-Y262 HydrophobicContact CB-CD1 4.34Å; L200-Y262 HydrophobicContact CB-CD2 4.22Å; L200-Y262 HydrophobicContact CB-CG 4.12Å; L200-Y262 HydrophobicContact CD1-CD2 3.52Å; L200-Y262 HydrophobicContact CD1-CE2 3.52Å; L200-Y262 HydrophobicContact CD1-CG 4.27Å; L200-Y262 HydrophobicContact CG-CD2 4.42Å; A203-Y262 HydrophobicContact CB-CE1 4.4Å; A203-Y262 WeakPolarHBondContact CB-OH 3.17Å; V258-Y262 HydrophobicContact CG1-CE2 4.28Å; V258-Y262 VanDerWaalsContact O-CD2 3.27Å; V258-Y262 WeakPolarHBondContact O-CD2 3.24Å; L259-Y262 PolarHBondContact O-N 3.23Å; L259-Y262 VanDerWaalsContact O-N 3.09Å; L260-Y262 PolarHBondContact O-N 2.96Å
263K93.9Very high74.1Confident128 Ų12888 Ų8856%0.55749%0.489SS*.EExtended strand (participates in β ladder)trans-61.9142.7179.373.6-178.2-177.4176.40111.8F193 G194 L259 L260F193-K263 HydrophobicContact CB-CB 4.29Å; F193-K263 HydrophobicContact CD1-CB 4.47Å; F193-K263 HydrophobicContact CD2-CB 3.7Å; F193-K263 HydrophobicContact CE2-CB 4.1Å; F193-K263 HydrophobicContact CG-CB 3.9Å; G194-K263 CarbonylContact O-C 3.53Å; G194-K263 WeakPolarHBondContact O-CA 3.46Å; L259-K263 PolarHBondContact O-N 3.25Å; L260-K263 WeakPolarHBondContact O-CG 3.44Å; L260-K263 PolarHBondContact O-N 3.5Å
264V91.6Very high71.6Confident59 Ų5986.5 Ų86.536%0.35849%0.488SS..EExtended strand (participates in β ladder)trans-123.9133.4170.1-169.90000107.6G194 R196 Y266G194-V264 PolarHBondContact N-O 2.98Å; G194-V264 PolarHBondContact O-N 2.96Å; R196-V264 HydrophobicContact CB-CG2 4.4Å; R196-V264 HydrophobicContact CG-CG2 3.29Å; V264-Y266 PolarHBondContact O-N 3.13Å
265A83.2Confident69Low85 Ų8589.4 Ų89.470%0.70251%0.505SS*.  trans-60.4134.6169.700000109.3R267A265-R267 PolarHBondContact O-N 3.23Å; A265-R267 VanDerWaalsContact O-N 3.13Å
266Y71Confident66.2Low110 Ų11096.8 Ų96.843%0.43154%0.544SS..  trans-59.2121.9170.8-85.8-85.8000108.3K190 T234 V264 S268K190-Y266 PolarHBondContact NZ-OH 2.99Å; T234-Y266 PolarHBondContact O-OH 2.83Å; V264-Y266 PolarHBondContact O-N 3.13Å; Y266-S268 VanDerWaalsContact C-N 3.26Å; Y266-S268 PolarHBondContact O-N 3.33Å
267R54.5Low63.6Low197 Ų19799.5 Ų99.574%0.74357%0.573SS**  trans-69.294162-74-176.5172.5166.9-3106.4A265 G269A265-R267 PolarHBondContact O-N 3.23Å; A265-R267 VanDerWaalsContact O-N 3.13Å; R267-G269 PolarHBondContact O-N 2.94Å
268S49.7Very low60.9Low109 Ų109101.8 Ų101.876%0.76259%0.586SS**  trans-45.6131.2158.4-62.30000107.3Y266 G270Y266-S268 VanDerWaalsContact C-N 3.26Å; Y266-S268 PolarHBondContact O-N 3.33Å; S268-G270 PolarHBondContact O-N 3.49Å
269G41.6Very low58.1Low79 Ų79105.9 Ų105.981%0.81462%0.616SS**SBendtrans-38.8133.5-160.600000116.3R267R267-G269 PolarHBondContact O-N 2.94Å
270G31.9Very low55.5Low76 Ų76111.5 Ų111.578%0.78465%0.65SS**SBendtrans55.764.1151.600000117.6S268S268-G270 PolarHBondContact O-N 3.49Å
271T30.7Very low52.9Low114 Ų114115.4 Ų115.470%0.69968%0.675SS**  trans-150.5128.2145.2-59.80000108.1E273T271-E273 HydrophobicContact CG2-CG 4.5Å; T271-E273 PolarHBondContact O-N 2.99Å
272I35.2Very low50.1Low155 Ų155111.3 Ų111.380%0.79568%0.676SS**  trans-74.6100.8176.2-61.8169.6000106.8
273E36.9Very low47.4Very low163 Ų163117 Ų11776%0.76271%0.708SS**  trans-108.9109.5159.3-71.6-169166.800108.4T271T271-E273 HydrophobicContact CG2-CG 4.5Å; T271-E273 PolarHBondContact O-N 2.99Å
274S38.6Very low44.7Very low86 Ų86121.8 Ų121.860%0.60172%0.722SS**  trans-73.3130172.250.50000110L276S274-L276 PolarHBondContact O-N 3.18Å
275P38.2Very low42.6Very low122 Ų122132.4 Ų132.479%0.79276%0.764SS**SBendtrans-82.277.6165.732.8-28.4000108.7
276L35.3Very low40.6Very low156 Ų156134.8 Ų134.882%0.81777%0.767SS**  trans-136.468158.4-74.6177.2000107.1S274S274-L276 PolarHBondContact O-N 3.18Å
277A39.1Very low39Very low92 Ų92136.1 Ų136.176%0.7679%0.785SS**  trans-120.483.7163.100000107.3S279A277-S279 PolarHBondContact O-N 3.23Å; A277-S279 VanDerWaalsContact O-N 3.12Å
278T35.2Very low38.1Very low118 Ų118132.7 Ų132.772%0.72479%0.787SS**  trans-33.7107.6163.2-48.90000111.5V280T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 HydrophobicContact CG2-CG2 3.42Å; T278-V280 VanDerWaalsContact CG2-CG2 3.42Å; T278-V280 PolarHBondContact O-N 3.03Å
279S35.4Very low37.4Very low112 Ų112134.1 Ų134.178%0.78379%0.788SS**  trans-80.588.6159.4-19.90000106.6A277 V281A277-S279 PolarHBondContact O-N 3.23Å; A277-S279 VanDerWaalsContact O-N 3.12Å; S279-V281 VanDerWaalsContact C-N 3.34Å; S279-V281 PolarHBondContact O-N 3.19Å
280V41.3Very low37.2Very low119 Ų119137.5 Ų137.572%0.72179%0.787SS**  trans-68.199.1164.7-176.40000106.3T278 S282T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 HydrophobicContact CG2-CG2 3.42Å; T278-V280 VanDerWaalsContact CG2-CG2 3.42Å; T278-V280 PolarHBondContact O-N 3.03Å; V280-S282 PolarHBondContact O-N 3.24Å
281V38.2Very low37.5Very low119 Ų119141.6 Ų141.672%0.72179%0.787SS**  trans-75.4102.8163.1177.20000106.3S279 L283S279-V281 VanDerWaalsContact C-N 3.34Å; S279-V281 PolarHBondContact O-N 3.19Å; V281-L283 PolarHBondContact O-N 3.12Å
282S35.6Very low38Very low102 Ų102143.6 Ų143.671%0.71379%0.793SS**  trans-65.2109.2168.9-178.50000109V280V280-S282 PolarHBondContact O-N 3.24Å
283L38.2Very low38.2Very low156 Ų156142.7 Ų142.782%0.81779%0.793SS**  trans-95.6118.1163.2-82.2163.8000107.9V281V281-L283 PolarHBondContact O-N 3.12Å
284R36.5Very low38.4Very low229 Ų229141 Ų14186%0.86480%0.796SS**  trans-71.3137.8169.6-68.7178.4176.3-179.8-2.2110
285F48.6Very low38.3Very low281 Ų281146 Ų146100%1.23281%0.813SS**  trans-110.90136.9-78.2-79.8000107.4

Retrieved 285 of 285 residues in 1012.3 ms (Link to these results)