A0A087YB97_POEFO Loading...

N-acetylglucosamine-1-phosphate transferase subunit gamma

AlphaFold DB , UniProt , Accession A0A087YB97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M50.4Low59.4Low238 Ų238132.4 Ų132.4100%1.17269%0.688SS**  036.10-129.6166.9100.500113.1
2W50.5Low60.4Low247 Ų247129.4 Ų129.494%0.93667%0.673SS**  trans-132.66.1-175.3-82.863.1000114.5
3S53.6Low61.4Low109 Ų109134.1 Ų134.176%0.76268%0.676SS**SBendtrans-103.8-20-174.6-164.90000115.1
4L52.1Low62Low155 Ų155129.7 Ų129.781%0.81266%0.66SS**Hα-helixtrans-82.6-24.5-178.7-88.2143.3000113
5N56Low62.7Low119 Ų119132.4 Ų132.464%0.63666%0.659SS**Hα-helixtrans-82-20.7-175.7-141.715.1000113.2Y9N5-Y9 PolarHBondContact O-N 3.47Å
6S57.1Low63.3Low77 Ų77130.7 Ų130.754%0.53865%0.652SS.*Hα-helixtrans-77.4-41.6178.6-174.50000112I8 Y9 V10S6-I8 PolarHBondContact O-N 2.87Å; S6-Y9 PolarHBondContact O-N 3.38Å; S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 2.91Å
7G59.3Low63.8Low38 Ų38127.8 Ų127.839%0.39264%0.643SS.*Hα-helixtrans-64.3-38.7179.300000113.2V10 L11G7-V10 PolarHBondContact O-N 3.48Å; G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 WeakPolarHBondContact O-CG 3.42Å; G7-L11 PolarHBondContact O-N 3.02Å
8I67.3Low63.9Low103 Ų103124.2 Ų124.253%0.52863%0.63SS.*Hα-helixtrans-66.3-41.1176.2-63.1167.9000110.4S6 V10 L11 L12S6-I8 PolarHBondContact O-N 2.87Å; I8-V10 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.17Å; I8-L12 WeakPolarHBondContact O-CB 3.3Å; I8-L12 PolarHBondContact O-N 3.23Å
9Y66.4Low64Low165 Ų165120.3 Ų120.365%0.64761%0.613SS**Hα-helixtrans-64.3-39.5177.9-121-90.2000112.6N5 S6 R13N5-Y9 PolarHBondContact O-N 3.47Å; S6-Y9 PolarHBondContact O-N 3.38Å; Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.34Å
10V69.9Low63.9Low84 Ų84117.7 Ų117.751%0.50961%0.606SS.*Hα-helixtrans-67.4-43.2176.7174.50000110.6S6 G7 I8 R13 T14S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 2.91Å; G7-V10 PolarHBondContact O-N 3.48Å; I8-V10 PolarHBondContact O-N 2.91Å; V10-R13 PolarHBondContact O-N 3.21Å; V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.38Å; V10-T14 PolarHBondContact O-N 2.9Å; V10-T14 PolarHBondContact O-OG1 3.48Å; V10-T14 VanDerWaalsContact O-OG1 3.08Å
11L70.6Confident63.7Low121 Ų121116.6 Ų116.663%0.63460%0.601SS**Hα-helixtrans-64.6-38.3176.4-74.2168.1000112.6G7 I8 T14 W15G7-L11 WeakPolarHBondContact O-CB 3.49Å; G7-L11 WeakPolarHBondContact O-CG 3.42Å; G7-L11 PolarHBondContact O-N 3.02Å; I8-L11 PolarHBondContact O-N 3.17Å; L11-T14 WeakPolarHBondContact CA-OG1 3.3Å; L11-T14 PolarHBondContact O-OG1 3.44Å; L11-W15 VanDerWaalsContact O-CB 3.24Å; L11-W15 WeakPolarHBondContact O-CB 3.46Å; L11-W15 PolarHBondContact O-N 2.89Å
12L72.1Confident63.9Low97 Ų97113 Ų11351%0.50858%0.579SS.*Hα-helixtrans-68.2-38.5176.5-145.285.2000111.2I8 L16I8-L12 WeakPolarHBondContact O-CB 3.3Å; I8-L12 PolarHBondContact O-N 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.19Å; L12-L16 PolarHBondContact O-N 3.08Å
13R72.4Confident64.1Low190 Ų190108.8 Ų108.872%0.71757%0.568SS**Hα-helixtrans-67.5-44.7175.8-113.4-173.9172-153.5-1.4112.2Y9 V10 W15 L16 V17Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.34Å; V10-R13 PolarHBondContact O-N 3.21Å; R13-W15 VanDerWaalsContact C-N 3.31Å; R13-L16 PolarHBondContact O-N 3.03Å; R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.4Å; R13-V17 PolarHBondContact O-N 3.5Å
14T70.3Confident64.1Low73 Ų73107.6 Ų107.645%0.44856%0.559SS.*Hα-helixtrans-66.1-37.8177.351.80000110.8V10 L11 V17 C18V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.38Å; V10-T14 PolarHBondContact O-N 2.9Å; V10-T14 PolarHBondContact O-OG1 3.48Å; V10-T14 VanDerWaalsContact O-OG1 3.08Å; L11-T14 WeakPolarHBondContact CA-OG1 3.3Å; L11-T14 PolarHBondContact O-OG1 3.44Å; T14-V17 PolarHBondContact O-N 3.16Å; T14-C18 WeakPolarHBondContact O-CB 3.45Å; T14-C18 PolarHBondContact O-N 3.21Å; T14-C18 PolarHBondContact O-SG 3.32Å
15W72.7Confident64.1Low170 Ų170107 Ų10764%0.64456%0.556SS**Hα-helixtrans-64.4-44.6173.7-171.461.6000112.4L11 R13 V17 C18 V19L11-W15 VanDerWaalsContact O-CB 3.24Å; L11-W15 WeakPolarHBondContact O-CB 3.46Å; L11-W15 PolarHBondContact O-N 2.89Å; R13-W15 VanDerWaalsContact C-N 3.31Å; W15-V17 PolarHBondContact O-N 2.95Å; W15-C18 PolarHBondContact O-N 2.89Å; W15-V19 HydrophobicContact CD2-CG2 4.22Å; W15-V19 HydrophobicContact CG-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CB 3.32Å; W15-V19 WeakPolarHBondContact O-CG2 3.32Å; W15-V19 PolarHBondContact O-N 2.9Å
16L72.3Confident63.9Low105 Ų105104.3 Ų104.355%0.5556%0.557SS.*Hα-helixtrans-60.7-41.1174.3-88.1156.5000112.7L12 R13 S20L12-L16 WeakPolarHBondContact O-CB 3.19Å; L12-L16 PolarHBondContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.03Å; L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.05Å; L16-S20 PolarHBondContact O-OG 2.87Å
17V71.1Confident63.7Low82 Ų82108.1 Ų108.150%0.49757%0.571SS.*Hα-helixtrans-66.6-45176.2172.30000110.8R13 T14 W15 S20 L21R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.4Å; R13-V17 PolarHBondContact O-N 3.5Å; T14-V17 PolarHBondContact O-N 3.16Å; W15-V17 PolarHBondContact O-N 2.95Å; V17-S20 WeakPolarHBondContact CA-OG 3.49Å; V17-S20 PolarHBondContact O-N 2.53Å; V17-S20 PolarHBondContact O-OG 3.43Å; V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 PolarHBondContact O-N 2.87Å
18C66.4Low63.5Low62 Ų62110.7 Ų110.742%0.41959%0.588SS.*Hα-helixtrans-61.9-44.8175.5-71.80000111.8T14 W15 S20 L21 F22T14-C18 WeakPolarHBondContact O-CB 3.45Å; T14-C18 PolarHBondContact O-N 3.21Å; T14-C18 PolarHBondContact O-SG 3.32Å; W15-C18 PolarHBondContact O-N 2.89Å; C18-S20 VanDerWaalsContact C-N 3.31Å; C18-S20 PolarHBondContact O-N 3.28Å; C18-L21 PolarHBondContact O-N 3.5Å; C18-F22 WeakPolarHBondContact O-CD2 3.4Å; C18-F22 PolarHBondContact O-N 2.87Å
19V66Low62.8Low50 Ų50108.9 Ų108.930%0.30360%0.595SS.*Hα-helixtrans-62.3-39.3176.6171.60000110.7W15 F22 F23W15-V19 HydrophobicContact CD2-CG2 4.22Å; W15-V19 HydrophobicContact CG-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CB 3.32Å; W15-V19 WeakPolarHBondContact O-CG2 3.32Å; W15-V19 PolarHBondContact O-N 2.9Å; V19-F22 PolarHBondContact O-N 2.93Å; V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.47Å; V19-F23 PolarHBondContact O-N 2.98Å
20S62Low62Low68 Ų68111 Ų11148%0.47661%0.607SS.*Hα-helixtrans-65.9-38.4175.772.90000113L16 V17 C18 F23 S24L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.05Å; L16-S20 PolarHBondContact O-OG 2.87Å; V17-S20 WeakPolarHBondContact CA-OG 3.49Å; V17-S20 PolarHBondContact O-N 2.53Å; V17-S20 PolarHBondContact O-OG 3.43Å; C18-S20 VanDerWaalsContact C-N 3.31Å; C18-S20 PolarHBondContact O-N 3.28Å; S20-F23 PolarHBondContact O-N 2.99Å; S20-S24 PolarHBondContact O-N 3.47Å; S20-S24 PolarHBondContact O-OG 3.28Å; S20-S24 VanDerWaalsContact O-OG 3.11Å
21L58.5Low61.3Low95 Ų95115.4 Ų115.450%0.49762%0.624SS.*Hα-helixtrans-65.6-42173.6-78.9161.8000111.5V17 C18 F23 S24 L25V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 PolarHBondContact O-N 2.87Å; C18-L21 PolarHBondContact O-N 3.5Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-OG 3.06Å; L21-L25 WeakPolarHBondContact O-CD1 3.44Å; L21-L25 PolarHBondContact O-N 3.45Å
22F56.1Low60.4Low162 Ų162118.1 Ų118.171%0.71163%0.631SS**Hα-helixtrans-65.7-35.2175.4-83.6-69.7000112.7C18 V19C18-F22 WeakPolarHBondContact O-CD2 3.4Å; C18-F22 PolarHBondContact O-N 2.87Å; V19-F22 PolarHBondContact O-N 2.93Å
23F54.1Low59.5Low159 Ų159119.8 Ų119.870%0.69764%0.639SS**Hα-helixtrans-69.7-34.7174.1-97.6-86.5000112.8V19 S20 L21 L25 G26V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.47Å; V19-F23 PolarHBondContact O-N 2.98Å; S20-F23 PolarHBondContact O-N 2.99Å; L21-F23 PolarHBondContact O-N 2.97Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3.32Å; F23-G26 PolarHBondContact O-N 3.25Å
24S52.5Low58.2Low84 Ų84116.8 Ų116.859%0.58764%0.642SS**Hα-helixtrans-72.6-20.3177.548.70000114.7S20 L21S20-S24 PolarHBondContact O-N 3.47Å; S20-S24 PolarHBondContact O-OG 3.28Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; L21-S24 WeakPolarHBondContact CA-OG 3.4Å; L21-S24 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-OG 3.06Å
25L53.1Low57.6Low142 Ų142120.8 Ų120.874%0.74366%0.655SS**THydrogen-bonded Turntrans-84.5-8.9173.1-90.8118000113.8L21 F23L21-L25 WeakPolarHBondContact O-CD1 3.44Å; L21-L25 PolarHBondContact O-N 3.45Å; F23-L25 VanDerWaalsContact C-N 3.33Å; F23-L25 PolarHBondContact O-N 3.32Å
26G52.7Low56.3Low63 Ų63119.1 Ų119.165%0.64966%0.655SS**SBendtrans-89.9-3.8-174.900000116.3F23F23-G26 PolarHBondContact O-N 3.25Å
27L52.7Low55Low158 Ų158118.6 Ų118.683%0.82766%0.657SS**  trans-122.433-175-72.9168.1000113.3G29L27-G29 PolarHBondContact O-N 3.18Å
28A53.9Low53.6Low91 Ų91117.6 Ų117.675%0.75265%0.649SS**  trans-76.377.9158.900000108.4K30A28-K30 PolarHBondContact O-N 2.85Å
29G52.2Low52.6Low65 Ų65118.1 Ų118.167%0.6765%0.651SS**  trans-51.5128168.100000108.6L27 M31L27-G29 PolarHBondContact O-N 3.18Å; G29-M31 VanDerWaalsContact C-N 3.26Å; G29-M31 PolarHBondContact O-N 3.18Å
30K50.2Low52Low210 Ų210123.3 Ų123.391%0.91367%0.67SS**  trans-58.295.7171.6-77.4-173.4175.5175.70107.6A28 K32A28-K30 PolarHBondContact O-N 2.85Å; K30-K32 PolarHBondContact O-N 2.94Å
31M55.4Low51.3Low176 Ų176122.4 Ų122.487%0.86767%0.671SS**  trans-71.589.2168.6-154.4167.1116.900105.3G29 I33G29-M31 VanDerWaalsContact C-N 3.26Å; G29-M31 PolarHBondContact O-N 3.18Å; M31-I33 PolarHBondContact O-N 3.34Å; M31-I33 VanDerWaalsContact O-N 3.08Å
32K51.3Low50.8Low178 Ų178123.9 Ų123.977%0.77468%0.678SS**  trans-62.2112.1164.1-169179.7-179.1-176.70104K30 V34K30-K32 PolarHBondContact O-N 2.94Å; K32-V34 PolarHBondContact O-N 2.98Å
33I53.7Low50.2Low132 Ų132123.7 Ų123.768%0.67769%0.685SS**  trans-47.4116.3161.6-82.3152.3000104.8M31 E35M31-I33 PolarHBondContact O-N 3.34Å; M31-I33 VanDerWaalsContact O-N 3.08Å; I33-E35 HydrophobicContact CG2-CG 4.33Å; I33-E35 PolarHBondContact O-N 3.06Å
34V44.9Very low49.9Very low128 Ų128120.2 Ų120.278%0.77667%0.674SS**  trans-67.488.5167.41770000103.3K32 E36K32-V34 PolarHBondContact O-N 2.98Å; V34-E36 PolarHBondContact O-N 3.05Å
35E58.1Low49.9Very low157 Ų157121.9 Ų121.973%0.73468%0.682SS**  trans-49.2131.4157.4-76.4177.315600105.8I33 P37I33-E35 HydrophobicContact CG2-CG 4.33Å; I33-E35 PolarHBondContact O-N 3.06Å; E35-P37 VanDerWaalsContact O-N 3.16Å
36E44.4Very low49.6Very low135 Ų135124.3 Ų124.363%0.63169%0.687SS**  trans-40.1126.5176.7-67.6177.9167.300108.4V34 N38V34-E36 PolarHBondContact O-N 3.05Å; E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.26Å
37P45.5Very low49.2Very low93 Ų93126.9 Ų126.960%0.60468%0.684SS**THydrogen-bonded Turntrans-62.4101.7-178.525.1-30.2000107E35 F100E35-P37 VanDerWaalsContact O-N 3.16Å; P37-F100 HydrophobicContact CB-CE1 4.28Å; P37-F100 HydrophobicContact CB-CZ 4.1Å
38N42.5Very low48.5Very low61 Ų61123.8 Ų123.833%0.32668%0.681SS.*THydrogen-bonded Turntrans79.271.3172.6-46.7-24000117.6E36 F40 F100E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.26Å; N38-F40 HydrophobicContact CB-CD2 3.65Å; N38-F40 HydrophobicContact CB-CE2 3.75Å; N38-F40 PolarHBondContact O-N 3Å; N38-F100 WeakPolarHBondContact ND2-CD1 3.48Å; N38-F100 WeakPolarHBondContact ND2-CE1 2.85Å
39T45.4Very low48.1Very low73 Ų73128.6 Ų128.645%0.44869%0.688SS.*  trans-76.783.3133.251.10000108.4G41T39-G41 PolarHBondContact O-N 2.82Å
40F51.8Low47.6Very low160 Ų160128.6 Ų128.670%0.70269%0.688SS**  trans-58.9103.2163.7-84.5-79000108.2N38N38-F40 HydrophobicContact CB-CD2 3.65Å; N38-F40 HydrophobicContact CB-CE2 3.75Å; N38-F40 PolarHBondContact O-N 3Å
41G49.3Very low47.8Very low49 Ų49126.1 Ų126.151%0.50569%0.685SS.*SBendtrans100.66.6153.200000119.5T39T39-G41 PolarHBondContact O-N 2.82Å
42L47Very low48.4Very low125 Ų125127 Ų12765%0.65468%0.678SS**SBendtrans-92.9-13.6-177.3-81.5165.8000116.3
43N42.8Very low50Low159 Ų159120.4 Ų120.485%0.8565%0.652SS**SBendtrans-14123.2-178.5-78.6-41.9000115.6
44N47.8Very low51.6Low85 Ų85120.8 Ų120.846%0.45565%0.651SS.*  trans-105.8109.7173.5-163.914.7000110.6F46 M47N44-F46 PolarHBondContact O-N 3.41Å; N44-M47 HydrophobicContact CB-CB 4.35Å; N44-M47 HydrophobicContact CB-CG 4.42Å; N44-M47 PolarHBondContact O-N 3Å
45P54.1Low53.7Low119 Ų119117 Ų11777%0.77363%0.628SS**THydrogen-bonded Turntrans-66.6-3-179.924.8-30.5000113.8
46F46Very low55.2Low193 Ų193114.3 Ų114.385%0.84662%0.615SS**THydrogen-bonded Turntrans-115.44.5-179.2-80.5-84.1000115N44N44-F46 PolarHBondContact O-N 3.41Å
47M43.1Very low57.5Low117 Ų117110.5 Ų110.558%0.57660%0.6SS**SBendtrans-93.6128.4168.7-86.5-177.1169.700110.2N44 Q49N44-M47 HydrophobicContact CB-CB 4.35Å; N44-M47 HydrophobicContact CB-CG 4.42Å; N44-M47 PolarHBondContact O-N 3Å; M47-Q49 PolarHBondContact O-N 3.21Å
48A39.2Very low59.8Low94 Ų94110.8 Ų110.878%0.77760%0.604SS**  trans-48.3134.9-177.200000111.7G50A48-G50 PolarHBondContact O-N 3.22Å
49Q44.8Very low62.4Low192 Ų192109.6 Ų109.690%0.89760%0.6SS**G310 helixtrans-60.214.4176.5-66.6174-31.900114.6M47M47-Q49 PolarHBondContact O-N 3.21Å
50G41.3Very low64.8Low65 Ų65107.1 Ų107.167%0.6759%0.587SS**G310 helixtrans-83.3-7.7-170.200000116.5A48A48-G50 PolarHBondContact O-N 3.22Å
51N54.7Low66.9Low158 Ų158104.8 Ų104.885%0.84559%0.588SS**G310 helixtrans-108.17.5-179.2-83.214.2000114.3L53N51-L53 PolarHBondContact O-N 2.93Å
52R68.1Low69.1Low193 Ų193105.6 Ų105.673%0.72858%0.583SS**SBendtrans-74.6118173.7-171172.4-176.5166.61.2108.3Q54R52-Q54 PolarHBondContact O-N 3.46Å; R52-Q54 PolarHBondContact O-NE2 3.13Å
53L84.9Confident71.4Confident41 Ų41100.4 Ų100.422%0.21556%0.557CS.*PPolyproline II helixtrans-49.3124173.4-65.3174.9000109.4N51 T94 S106 I108N51-L53 PolarHBondContact O-N 2.93Å; L53-T94 HydrophobicContact CD1-CG2 3.83Å; L53-S106 WeakPolarHBondContact CD2-O 3.26Å; L53-I108 HydrophobicContact CB-CD1 4.06Å; L53-I108 HydrophobicContact CB-CG1 3.92Å; L53-I108 HydrophobicContact CD1-CG1 4.07Å
54Q87.1Confident73.9Confident139 Ų13993.5 Ų93.565%0.6552%0.524SS*.PPolyproline II helixtrans-98.3116.5179.9-62.7-57.1-42.900108.7R52R52-Q54 PolarHBondContact O-N 3.46Å; R52-Q54 PolarHBondContact O-NE2 3.13Å
55P90.3Very high76.2Confident48 Ų4889.5 Ų89.531%0.31250%0.502SS..PPolyproline II helixtrans-67.7141.6176.629.2-33.4000110.3V57 I108 I111P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 WeakPolarHBondContact CB-O 3.34Å; P55-V57 PolarHBondContact O-N 3.49Å; P55-I108 HydrophobicContact CB-CD1 3.94Å; P55-I111 HydrophobicContact CB-CD1 3.56Å; P55-I111 HydrophobicContact CB-CG1 4.22Å
56K89.8Confident78.2Confident102 Ų10287.3 Ų87.344%0.44349%0.494SS..SBendtrans-67.1-30.7176.7-67.2174.6-1791640112.5G130 T132 N137K56-G130 PolarHBondContact NZ-O 3.29Å; K56-T132 VanDerWaalsContact NZ-N 3.15Å; K56-T132 PolarHBondContact NZ-OG1 3.27Å; K56-N137 PolarHBondContact NZ-OD1 2.7Å
57V92.8Very high80.5Confident55 Ų5581.6 Ų81.633%0.33347%0.47SS..SBendtrans-133.2151.4-178.8-640000109.9P55 I111 D129P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 WeakPolarHBondContact CB-O 3.34Å; P55-V57 PolarHBondContact O-N 3.49Å; V57-I111 HydrophobicContact CG2-CB 4.5Å; V57-I111 HydrophobicContact CG2-CD1 3.69Å; V57-I111 HydrophobicContact CG2-CG2 4.4Å; V57-D129 HydrophobicContact CG2-CB 3.63Å
58S93.9Very high83.1Confident98 Ų9876.1 Ų76.169%0.68544%0.443SS*.PPolyproline II helixtrans-68.6144.1169.652.60000110.2
59P96Very high85.9Confident37 Ų3775 Ų7524%0.2442%0.422CS..PPolyproline II helixtrans-61.7151.3171.529.8-36.7000110.9I111 W112P59-I111 HydrophobicContact CB-CG2 3.87Å; P59-W112 WeakPolarHBondContact CA-O 3.15Å; P59-W112 HydrophobicContact CB-CB 4.12Å
60A95.8Very high88.3Confident21 Ų2173.5 Ų73.517%0.17441%0.408CS..PPolyproline II helixtrans-59157.6170.400000111W112 Q113A60-W112 PolarHBondContact N-O 3.07Å; A60-Q113 VanDerWaalsContact CB-O 3.27Å; A60-Q113 WeakPolarHBondContact CB-O 3.33Å
61P95.6Very high90.9Very high111 Ų11170.8 Ų70.872%0.72138%0.378SS*.PPolyproline II helixtrans-54.9153.1171.4-24.434.8000112S63 W112P61-S63 PolarHBondContact O-N 3.47Å; P61-W112 PolarHBondContact O-NE1 3.2Å; P61-W112 VanDerWaalsContact O-NE1 3.1Å
62V96.1Very high93Very high66 Ų6665 Ų6540%0.435%0.352SS..PPolyproline II helixtrans-65.8119.3172.8-178.40000108.2H69 A72 F90V62-H69 HydrophobicContact CG1-CB 4.29Å; V62-A72 HydrophobicContact CG2-CB 4.14Å; V62-F90 HydrophobicContact CB-CD1 4.48Å; V62-F90 HydrophobicContact CB-CG 4.43Å; V62-F90 HydrophobicContact CG1-CD1 3.96Å; V62-F90 HydrophobicContact CG1-CD2 4.09Å; V62-F90 HydrophobicContact CG1-CE1 4.14Å; V62-F90 HydrophobicContact CG1-CE2 4.28Å; V62-F90 HydrophobicContact CG1-CG 3.92Å; V62-F90 HydrophobicContact CG1-CZ 4.3Å; V62-F90 HydrophobicContact CG2-CB 3.84Å; V62-F90 HydrophobicContact CG2-CG 4.16Å
63S95.3Very high94.2Very high16 Ų1659.7 Ų59.711%0.11236%0.357CS..  trans-139.6168.4-179.569.40000111.3P61 F90 W115 G221P61-S63 PolarHBondContact O-N 3.47Å; S63-F90 WeakPolarHBondContact O-CE1 3.28Å; S63-W115 PolarHBondContact O-NE1 3.03Å; S63-G221 VanDerWaalsContact CB-O 3.3Å; S63-G221 WeakPolarHBondContact CB-O 3.37Å; S63-G221 PolarHBondContact OG-O 3.49Å
64G95.3Very high94.8Very high14 Ų1462.7 Ų62.714%0.14437%0.369CS..SBendtrans97.7-150.1178.900000113.5A66 H69 L222G64-A66 PolarHBondContact O-N 3.21Å; G64-H69 PolarHBondContact O-NE2 2.96Å; G64-L222 VanDerWaalsContact CA-CD2 3.44Å
65P96.1Very high95.2Very high0 Ų059 Ų590%036%0.358CS..  trans-63.6120.1-173.4-17.626.8000113H67 L68 H69 F122 T183P65-H67 WeakPolarHBondContact CB-CE1 3.35Å; P65-H67 PolarHBondContact O-N 3.43Å; P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 HydrophobicContact CB-CG 4.23Å; P65-L68 HydrophobicContact CG-CD1 3.96Å; P65-L68 WeakPolarHBondContact O-CB 3.38Å; P65-L68 PolarHBondContact O-N 3.31Å; P65-H69 PolarHBondContact O-CD2 3.09Å; P65-F122 HydrophobicContact CG-CD2 3.65Å; P65-F122 HydrophobicContact CG-CE2 3.6Å; P65-F122 HydrophobicContact CG-CG 4.44Å; P65-F122 HydrophobicContact CG-CZ 4.35Å; P65-T183 HydrophobicContact CB-CG2 3.92Å; P65-T183 HydrophobicContact CG-CG2 3.96Å
66A95.6Very high95.6Very high74 Ų7458.3 Ų58.361%0.61235%0.35SS*.G310 helixtrans-55-33.8-174.900000114.1G64 L68 H69G64-A66 PolarHBondContact O-N 3.21Å; A66-L68 PolarHBondContact O-N 3.11Å; A66-H69 VanDerWaalsContact O-CB 3.32Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.35Å; A66-H69 VanDerWaalsContact O-N 3.14Å
67H95.8Very high95.9Very high72 Ų7256.6 Ų56.633%0.33335%0.35SS..G310 helixtrans-67.1-20.9178.362.5-89.2000113.3P65 R70 L171 S177P65-H67 WeakPolarHBondContact CB-CE1 3.35Å; P65-H67 PolarHBondContact O-N 3.43Å; H67-R70 WeakPolarHBondContact O-CD 3.36Å; H67-R70 VanDerWaalsContact O-CG 3.3Å; H67-R70 WeakPolarHBondContact O-CG 3.27Å; H67-L171 PolarHBondContact CD2-O 2.89Å; H67-L171 PolarHBondContact NE2-O 3.41Å; H67-S177 PolarHBondContact CE1-O 3.02Å
68L97.2Very high96.1Very high2 Ų255.8 Ų55.81%0.0134%0.344CS..G310 helixtrans-81.4-19.6174.2-62.7179.5000112.6P65 A66 R70 L71 F90 W115 L144 L171 V172P65-L68 HydrophobicContact CB-CD1 4.17Å; P65-L68 HydrophobicContact CB-CG 4.23Å; P65-L68 HydrophobicContact CG-CD1 3.96Å; P65-L68 WeakPolarHBondContact O-CB 3.38Å; P65-L68 PolarHBondContact O-N 3.31Å; A66-L68 PolarHBondContact O-N 3.11Å; L68-R70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 VanDerWaalsContact O-CB 3.26Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-F90 HydrophobicContact CB-CE2 4.38Å; L68-F90 HydrophobicContact CB-CZ 4.06Å; L68-F90 WeakPolarHBondContact O-CE2 3.48Å; L68-W115 HydrophobicContact CD1-CH2 3.66Å; L68-W115 HydrophobicContact CD1-CZ2 4.34Å; L68-W115 HydrophobicContact CD1-CZ3 4.5Å; L68-L144 HydrophobicContact CD1-CD1 3.89Å; L68-L171 HydrophobicContact CD2-CB 3.71Å; L68-L171 HydrophobicContact CD2-CD1 4.16Å; L68-V172 HydrophobicContact CD2-CG1 3.97Å
69H96.8Very high96.2Very high72 Ų7255.2 Ų55.233%0.33334%0.337SS..G310 helixtrans-58.1-25.5-178.5-62.8-176.4000112.6V62 G64 P65 A66 L71 A72V62-H69 HydrophobicContact CG1-CB 4.29Å; G64-H69 PolarHBondContact O-NE2 2.96Å; P65-H69 PolarHBondContact O-CD2 3.09Å; A66-H69 VanDerWaalsContact O-CB 3.32Å; A66-H69 WeakPolarHBondContact O-CB 3.29Å; A66-H69 PolarHBondContact O-N 3.35Å; A66-H69 VanDerWaalsContact O-N 3.14Å; H69-L71 PolarHBondContact O-N 3.06Å; H69-L71 VanDerWaalsContact O-N 3.13Å; H69-A72 WeakPolarHBondContact O-CB 3.08Å; H69-A72 PolarHBondContact O-N 3.32Å
70R96.2Very high96Very high159 Ų15957.4 Ų57.460%0.634%0.344SS*.G310 helixtrans-65.4-10.6174.674.1-172.5-65.3-167.10.6115H67 L68 K74 L171H67-R70 WeakPolarHBondContact O-CD 3.36Å; H67-R70 VanDerWaalsContact O-CG 3.3Å; H67-R70 WeakPolarHBondContact O-CG 3.27Å; L68-R70 PolarHBondContact O-N 2.99Å; R70-K74 WeakPolarHBondContact O-CE 3.49Å; R70-K74 PolarHBondContact O-NZ 3.34Å; R70-L171 HydrophobicContact CG-CD1 3.75Å
71L96.8Very high95.8Very high9 Ų962.5 Ų62.55%0.04738%0.378CS..G310 helixtrans-87.2-19.1172.8-61.7176.9000111.9L68 H69 G73 K74 F76 P89 F167 L171L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 VanDerWaalsContact O-CB 3.26Å; L68-L71 WeakPolarHBondContact O-CB 3.29Å; L68-L71 PolarHBondContact O-N 3.23Å; H69-L71 PolarHBondContact O-N 3.06Å; H69-L71 VanDerWaalsContact O-N 3.13Å; L71-G73 PolarHBondContact O-N 3.28Å; L71-K74 WeakPolarHBondContact O-CB 3.49Å; L71-K74 PolarHBondContact O-N 2.03Å; L71-K74 VanDerWaalsContact O-N 3.1Å; L71-F76 HydrophobicContact CD2-CE2 4.35Å; L71-F76 HydrophobicContact CD2-CZ 4.15Å; L71-P89 HydrophobicContact CB-CB 3.87Å; L71-P89 HydrophobicContact CB-CG 3.94Å; L71-P89 HydrophobicContact CD1-CG 4.5Å; L71-F167 HydrophobicContact CD1-CE1 3.98Å; L71-L171 HydrophobicContact CD1-CD1 3.94Å; L71-L171 HydrophobicContact CD2-CD1 3.87Å; L71-L171 HydrophobicContact CG-CD1 3.72Å
72A96.8Very high95.6Very high37 Ų3761 Ų6131%0.30636%0.362SS..THydrogen-bonded Turntrans-59.8135.7175.600000110.2V62 H69 K74 F90V62-A72 HydrophobicContact CG2-CB 4.14Å; H69-A72 WeakPolarHBondContact O-CB 3.08Å; H69-A72 PolarHBondContact O-N 3.32Å; A72-K74 PolarHBondContact O-N 3.44Å; A72-F90 HydrophobicContact CB-CD2 3.92Å
73G94.2Very high95.5Very high81 Ų8161.1 Ų61.184%0.83536%0.356SS*.THydrogen-bonded Turntrans77.60.7-176.800000115.2L71L71-G73 PolarHBondContact O-N 3.28Å
74K96.8Very high95.5Very high103 Ų10362.4 Ų62.445%0.44836%0.359SS..  trans-102.5147.3169.7-63.5175.4-178.21560109.8R70 L71 A72 F76 C88 P89R70-K74 WeakPolarHBondContact O-CE 3.49Å; R70-K74 PolarHBondContact O-NZ 3.34Å; L71-K74 WeakPolarHBondContact O-CB 3.49Å; L71-K74 PolarHBondContact O-N 2.03Å; L71-K74 VanDerWaalsContact O-N 3.1Å; A72-K74 PolarHBondContact O-N 3.44Å; K74-F76 HydrophobicContact CB-CE2 4.05Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; K74-C88 WeakPolarHBondContact O-CA 2.98Å; K74-P89 VanDerWaalsContact O-CD 3.24Å; K74-P89 WeakPolarHBondContact O-CD 3.42Å
75C97.1Very high95.6Very high63 Ų6363 Ų6343%0.42636%0.357SS..  trans-127.3140.8179-600000110.3E86 F87 C88C75-E86 HydrophobicContact CB-CG 4Å; C75-E86 WeakPolarHBondContact CB-OE1 3.15Å; C75-F87 WeakPolarHBondContact CA-O 3.28Å; C75-C88 HydrophobicContact CB-CB 4.18Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CB 2.83Å; C75-C88 CovalentContact SG-SG 2.04Å; C75-C88 PolarHBondContact SG-SG 2.81Å
76F97.8Very high95.7Very high33 Ų3365.5 Ų65.515%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-124.6131.1-176.8-57.1-90.3000108.6L71 K74 E86 F87 P89 S150 L152 F167L71-F76 HydrophobicContact CD2-CE2 4.35Å; L71-F76 HydrophobicContact CD2-CZ 4.15Å; K74-F76 HydrophobicContact CB-CE2 4.05Å; K74-F76 HydrophobicContact CB-CZ 4.21Å; F76-E86 WeakPolarHBondContact O-CA 3.24Å; F76-F87 PolarHBondContact N-O 2.9Å; F76-F87 PolarHBondContact O-N 3.2Å; F76-P89 HydrophobicContact CD2-CG 4.45Å; F76-P89 HydrophobicContact CE2-CG 4.25Å; F76-S150 WeakPolarHBondContact CD1-O 3.32Å; F76-S150 VanDerWaalsContact CE1-O 3.31Å; F76-S150 WeakPolarHBondContact CE1-O 3.39Å; F76-L152 HydrophobicContact CB-CB 4.32Å; F76-F167 HydrophobicContact CB-CE2 3.94Å; F76-F167 HydrophobicContact CD1-CE2 4.05Å; F76-F167 HydrophobicContact CD1-CZ 4.36Å; F76-F167 AromaticContact CD2-CE2 3.44Å; F76-F167 HydrophobicContact CD2-CE2 3.44Å; F76-F167 VanDerWaalsContact CD2-CE2 3.44Å; F76-F167 AromaticContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CE1-CE2 4.43Å; F76-F167 HydrophobicContact CE1-CZ 4.29Å; F76-F167 AromaticContact CE2-CE2 3.89Å; F76-F167 HydrophobicContact CE2-CE2 3.89Å; F76-F167 AromaticContact CE2-CZ 3.55Å; F76-F167 HydrophobicContact CE2-CZ 3.55Å; F76-F167 AromaticContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CZ 4.06Å; F76-F167 HydrophobicContact CZ-CE2 4.36Å; F76-F167 AromaticContact CZ-CZ 3.9Å; F76-F167 HydrophobicContact CZ-CZ 3.9Å
77S96.5Very high95.8Very high65 Ų6562 Ų6246%0.45534%0.34SS..EExtended strand (participates in β ladder)trans-116.4148.3-177.663.50000112.6Y85S77-Y85 CarbonylContact C-O 3.54Å; S77-Y85 WeakPolarHBondContact CA-O 3.35Å; S77-Y85 WeakPolarHBondContact CB-O 3.4Å
78L96.8Very high95.9Very high39 Ų3959 Ų5920%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-134.7128173.2177.467.6000107.5Y85 L152 V153 V155L78-Y85 PolarHBondContact N-O 2.88Å; L78-Y85 PolarHBondContact O-N 3.09Å; L78-L152 HydrophobicContact CB-CB 3.99Å; L78-L152 HydrophobicContact CB-CD2 3.61Å; L78-L152 HydrophobicContact CB-CG 3.7Å; L78-L152 HydrophobicContact CD2-CG 4.32Å; L78-V153 WeakPolarHBondContact CD2-O 3.48Å; L78-V155 HydrophobicContact CD2-CG2 4.28Å
79T95.8Very high95.9Very high86 Ų8659 Ų5953%0.52833%0.327SS..EExtended strand (participates in β ladder)trans-101.5119.5172-54.80000108.5Y83 Q98T79-Y83 CarbonylContact C-O 3.33Å; T79-Y83 WeakPolarHBondContact CA-O 3.47Å; T79-Q98 HydrophobicContact CG2-CG 4.49Å
80E92.8Very high96Very high83 Ų8356 Ų5639%0.38831%0.314SS..EExtended strand (participates in β ladder)trans-128.6121.1179.9-170.7167.1-164.700109.5M82 Y83 Y85E80-M82 PolarHBondContact O-N 2.63Å; E80-Y83 PolarHBondContact N-O 2.82Å; E80-Y83 PolarHBondContact O-N 3.22Å; E80-Y85 HydrophobicContact CB-CE2 4.27Å
81S89.8Confident96Very high127 Ų12752 Ų5289%0.88830%0.301SS*.THydrogen-bonded Turntrans50.7-107.1-168.7-71.30000112.9
82M91.6Very high96Very high80 Ų8052.3 Ų52.339%0.39430%0.303SS..THydrogen-bonded Turntrans-108.86.8-176.163.7-169.9-76.700113.1E80 E97 Q98E80-M82 PolarHBondContact O-N 2.63Å; M82-E97 HydrophobicContact CE-CG 3.93Å; M82-E97 VanDerWaalsContact CE-OE1 3.29Å; M82-E97 WeakPolarHBondContact CE-OE1 3.43Å; M82-Q98 PolarHBondContact O-N 3.16Å
83Y94Very high96.1Very high68 Ų6850.7 Ų50.727%0.26729%0.289SS..EExtended strand (participates in β ladder)trans-119.6136-177.8-63.4-75.6000110.8T79 E80 Q95 E97T79-Y83 CarbonylContact C-O 3.33Å; T79-Y83 WeakPolarHBondContact CA-O 3.47Å; E80-Y83 PolarHBondContact N-O 2.82Å; E80-Y83 PolarHBondContact O-N 3.22Å; Y83-Q95 HydrophobicContact CD1-CG 3.78Å; Y83-Q95 VanDerWaalsContact CD1-NE2 3.34Å; Y83-Q95 HydrophobicContact CG-CG 4.24Å; Y83-E97 HydrophobicContact CD1-CB 3.93Å; Y83-E97 HydrophobicContact CD1-CG 4.26Å; Y83-E97 HydrophobicContact CE1-CB 3.76Å; Y83-E97 HydrophobicContact CE1-CG 3.85Å
84K96.1Very high96.2Very high43 Ų4347.1 Ų47.119%0.18725%0.251CS..EExtended strand (participates in β ladder)trans-100.8115.8166.4-177.9176.4-179.31740108H96 Q98K84-H96 HydrophobicContact CB-CB 4.43Å; K84-H96 PolarHBondContact N-O 3.25Å; K84-H96 PolarHBondContact O-N 3.41Å; K84-Q98 HydrophobicContact CB-CG 3.83Å; K84-Q98 VanDerWaalsContact CB-NE2 3.32Å
85Y97Very high96.1Very high26 Ų2642.9 Ų42.910%0.10223%0.233CC..EExtended strand (participates in β ladder)trans-93.2140.1172.4-59.8-82.7000108.9S77 L78 E80 T94 Q95 L109 V155S77-Y85 CarbonylContact C-O 3.54Å; S77-Y85 WeakPolarHBondContact CA-O 3.35Å; S77-Y85 WeakPolarHBondContact CB-O 3.4Å; L78-Y85 PolarHBondContact N-O 2.88Å; L78-Y85 PolarHBondContact O-N 3.09Å; E80-Y85 HydrophobicContact CB-CE2 4.27Å; Y85-T94 WeakPolarHBondContact CA-O 3.5Å; Y85-Q95 HydrophobicContact CD1-CB 4.09Å; Y85-Q95 HydrophobicContact CD1-CG 4.01Å; Y85-Q95 HydrophobicContact CE1-CB 4.09Å; Y85-Q95 HydrophobicContact CE1-CG 3.63Å; Y85-Q95 PolarHBondContact OH-NE2 2.93Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.1Å; Y85-L109 HydrophobicContact CD1-CD1 3.92Å; Y85-L109 HydrophobicContact CE1-CD1 3.96Å; Y85-V155 HydrophobicContact CD1-CB 4.4Å; Y85-V155 HydrophobicContact CD1-CG1 3.87Å; Y85-V155 HydrophobicContact CD1-CG2 4.28Å; Y85-V155 HydrophobicContact CD2-CB 4.09Å; Y85-V155 HydrophobicContact CD2-CG1 4.39Å; Y85-V155 HydrophobicContact CD2-CG2 3.91Å; Y85-V155 HydrophobicContact CE1-CB 4.47Å; Y85-V155 HydrophobicContact CE1-CG1 3.78Å; Y85-V155 HydrophobicContact CE2-CB 4.19Å; Y85-V155 HydrophobicContact CE2-CG1 4.33Å; Y85-V155 HydrophobicContact CG-CB 4.2Å; Y85-V155 HydrophobicContact CG-CG1 4.17Å; Y85-V155 HydrophobicContact CG-CG2 3.78Å
86E97.6Very high96Very high54 Ų5442.1 Ų42.125%0.25222%0.223SC..EExtended strand (participates in β ladder)trans-129.6128.2173.7178.3172-138.200109.2C75 F76 V93 T94C75-E86 HydrophobicContact CB-CG 4Å; C75-E86 WeakPolarHBondContact CB-OE1 3.15Å; F76-E86 WeakPolarHBondContact O-CA 3.24Å; E86-V93 CarbonylContact O-C 3.6Å; E86-V93 WeakPolarHBondContact O-CA 3.45Å; E86-T94 PolarHBondContact N-O 3.38Å; E86-T94 PolarHBondContact O-N 2.99Å
87F98.1Very high95.7Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-117.9120.8176.9169.8-132.3000109.5C75 F76 P89 V93 M125 M127 V142 L152 F167C75-F87 WeakPolarHBondContact CA-O 3.28Å; F76-F87 PolarHBondContact N-O 2.9Å; F76-F87 PolarHBondContact O-N 3.2Å; F87-P89 HydrophobicContact CD1-CG 4.2Å; F87-P89 HydrophobicContact CE1-CB 4.4Å; F87-P89 HydrophobicContact CE1-CG 3.61Å; F87-P89 HydrophobicContact CE2-CB 4.49Å; F87-P89 HydrophobicContact CE2-CG 4.3Å; F87-P89 HydrophobicContact CZ-CB 3.98Å; F87-P89 HydrophobicContact CZ-CG 3.67Å; F87-V93 HydrophobicContact CD2-CG2 3.7Å; F87-V93 HydrophobicContact CE2-CG2 4.34Å; F87-M125 HydrophobicContact CZ-SD 4.45Å; F87-M127 HydrophobicContact CE2-CE 4.23Å; F87-M127 HydrophobicContact CE2-SD 4.45Å; F87-V142 HydrophobicContact CD1-CG1 4.5Å; F87-V142 HydrophobicContact CD2-CG2 4.37Å; F87-V142 HydrophobicContact CE1-CG1 3.79Å; F87-V142 HydrophobicContact CE2-CG1 4.42Å; F87-V142 HydrophobicContact CE2-CG2 3.89Å; F87-V142 HydrophobicContact CZ-CB 4.35Å; F87-V142 HydrophobicContact CZ-CG1 3.74Å; F87-V142 HydrophobicContact CZ-CG2 4.04Å; F87-L152 HydrophobicContact CB-CD1 4.24Å; F87-L152 HydrophobicContact CB-CD2 4.34Å; F87-F167 HydrophobicContact CD1-CB 4.2Å; F87-F167 AromaticContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CE2 4.19Å; F87-F167 AromaticContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-F167 HydrophobicContact CE1-CD1 4.06Å; F87-F167 AromaticContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CE2 4.41Å; F87-F167 AromaticContact CE1-CG 3.69Å; F87-F167 HydrophobicContact CE1-CG 3.69Å
88C97.8Very high95.4Very high8 Ų842.1 Ų42.15%0.05422%0.217CC..EExtended strand (participates in β ladder)trans-111.8103.9172.3-53.60000108.2K74 C75 F90 H91 N92K74-C88 WeakPolarHBondContact O-CA 2.98Å; C75-C88 HydrophobicContact CB-CB 4.18Å; C75-C88 WeakPolarHBondContact CB-SG 3.34Å; C75-C88 WeakPolarHBondContact SG-CB 2.83Å; C75-C88 CovalentContact SG-SG 2.04Å; C75-C88 PolarHBondContact SG-SG 2.81Å; C88-F90 PolarHBondContact O-N 3.18Å; C88-H91 HydrophobicContact CB-CB 3.91Å; C88-H91 PolarHBondContact O-N 3.25Å; C88-N92 PolarHBondContact N-O 3.16Å; C88-N92 PolarHBondContact O-N 2.95Å
89P97.9Very high94.9Very high2 Ų241.6 Ų41.61%0.01322%0.216CC..THydrogen-bonded Turntrans-51.7136.3179.2-2937.1000112.2L71 K74 F76 F87 H91L71-P89 HydrophobicContact CB-CB 3.87Å; L71-P89 HydrophobicContact CB-CG 3.94Å; L71-P89 HydrophobicContact CD1-CG 4.5Å; K74-P89 VanDerWaalsContact O-CD 3.24Å; K74-P89 WeakPolarHBondContact O-CD 3.42Å; F76-P89 HydrophobicContact CD2-CG 4.45Å; F76-P89 HydrophobicContact CE2-CG 4.25Å; F87-P89 HydrophobicContact CD1-CG 4.2Å; F87-P89 HydrophobicContact CE1-CB 4.4Å; F87-P89 HydrophobicContact CE1-CG 3.61Å; F87-P89 HydrophobicContact CE2-CB 4.49Å; F87-P89 HydrophobicContact CE2-CG 4.3Å; F87-P89 HydrophobicContact CZ-CB 3.98Å; F87-P89 HydrophobicContact CZ-CG 3.67Å; P89-H91 PolarHBondContact O-N 3.38Å
90F97.8Very high94.3Very high11 Ų1145 Ų455%0.04822%0.224CC..THydrogen-bonded Turntrans62.914.7-175.3-46.2-79000115.8V62 S63 L68 A72 C88 W112 W115 M125V62-F90 HydrophobicContact CB-CD1 4.48Å; V62-F90 HydrophobicContact CB-CG 4.43Å; V62-F90 HydrophobicContact CG1-CD1 3.96Å; V62-F90 HydrophobicContact CG1-CD2 4.09Å; V62-F90 HydrophobicContact CG1-CE1 4.14Å; V62-F90 HydrophobicContact CG1-CE2 4.28Å; V62-F90 HydrophobicContact CG1-CG 3.92Å; V62-F90 HydrophobicContact CG1-CZ 4.3Å; V62-F90 HydrophobicContact CG2-CB 3.84Å; V62-F90 HydrophobicContact CG2-CG 4.16Å; S63-F90 WeakPolarHBondContact O-CE1 3.28Å; L68-F90 HydrophobicContact CB-CE2 4.38Å; L68-F90 HydrophobicContact CB-CZ 4.06Å; L68-F90 WeakPolarHBondContact O-CE2 3.48Å; A72-F90 HydrophobicContact CB-CD2 3.92Å; C88-F90 PolarHBondContact O-N 3.18Å; F90-W112 VanDerWaalsContact C-CB 3.44Å; F90-W112 HydrophobicContact CB-CG 4.32Å; F90-W112 HydrophobicContact CD1-CD2 4.22Å; F90-W112 AromaticContact CD1-CE2 3.7Å; F90-W112 AromaticContact CD1-CZ2 3.93Å; F90-W112 HydrophobicContact CD1-CZ2 3.93Å; F90-W112 AromaticContact CD1-NE1 3.79Å; F90-W112 HydrophobicContact CE1-CZ2 4.16Å; F90-W115 HydrophobicContact CE1-CH2 4.49Å; F90-W115 AromaticContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CZ-CZ2 4.05Å; F90-M125 HydrophobicContact CD1-CE 3.81Å; F90-M125 HydrophobicContact CE1-CE 3.7Å; F90-M125 HydrophobicContact CG-CE 4.35Å; F90-M125 HydrophobicContact CZ-CE 4.14Å
91H96.9Very high93.8Very high74 Ų7448.7 Ų48.734%0.34323%0.234SC..THydrogen-bonded Turntrans-127.2-82.7177.3-166.151.7000111.6C88 P89 W112C88-H91 HydrophobicContact CB-CB 3.91Å; C88-H91 PolarHBondContact O-N 3.25Å; P89-H91 PolarHBondContact O-N 3.38Å; H91-W112 PolarHBondContact O-N 2.66Å
92N97.6Very high93.2Very high16 Ų1654.2 Ų54.29%0.08624%0.236CC..EExtended strand (participates in β ladder)trans-157.9169.2-177.662.6-3.4000112.4C88 I108 G110 I111 M127C88-N92 PolarHBondContact N-O 3.16Å; C88-N92 PolarHBondContact O-N 2.95Å; N92-I108 HydrophobicContact CB-CG2 4.47Å; N92-G110 CarbonylContact C-O 3.6Å; N92-G110 VanDerWaalsContact CA-O 3.28Å; N92-G110 WeakPolarHBondContact CA-O 3.46Å; N92-G110 WeakPolarHBondContact CB-O 3.21Å; N92-I111 HydrophobicContact CB-CG1 4.47Å; N92-M127 VanDerWaalsContact CA-CE 3.5Å
93V97.8Very high92.7Very high2 Ų255 Ų551%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-117.8128.8168.2-1760000107.6E86 F87 L109 G110 M127 T140 V142E86-V93 CarbonylContact O-C 3.6Å; E86-V93 WeakPolarHBondContact O-CA 3.45Å; F87-V93 HydrophobicContact CD2-CG2 3.7Å; F87-V93 HydrophobicContact CE2-CG2 4.34Å; V93-L109 HydrophobicContact CB-CB 4.26Å; V93-L109 HydrophobicContact CG1-CB 4.09Å; V93-L109 HydrophobicContact CG1-CD1 4.16Å; V93-L109 HydrophobicContact CG1-CG 4.48Å; V93-L109 PolarHBondContact O-N 3.32Å; V93-G110 PolarHBondContact N-O 2.8Å; V93-G110 PolarHBondContact O-N 3.28Å; V93-M127 HydrophobicContact CG2-CB 4.35Å; V93-M127 HydrophobicContact CG2-CE 4.07Å; V93-M127 HydrophobicContact CG2-CG 3.89Å; V93-T140 HydrophobicContact CG1-CG2 4.43Å; V93-T140 HydrophobicContact CG2-CG2 4.14Å; V93-V142 HydrophobicContact CG2-CG2 4.39Å
94T96.6Very high92.3Very high7 Ų753.4 Ų53.44%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-123156178.665.70000111.8L53 Y85 E86 H96 G107 I108L53-T94 HydrophobicContact CD1-CG2 3.83Å; Y85-T94 WeakPolarHBondContact CA-O 3.5Å; E86-T94 PolarHBondContact N-O 3.38Å; E86-T94 PolarHBondContact O-N 2.99Å; T94-H96 PolarHBondContact OG1-NE2 3.23Å; T94-G107 CarbonylContact C-O 3.58Å; T94-G107 WeakPolarHBondContact CA-O 3.49Å; T94-I108 HydrophobicContact CG2-CG1 4.32Å
95Q95.4Very high92Very high13 Ų1354.7 Ų54.76%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-125.8131.4174.1-177-176.936.300109Y83 Y85 Y105 S106 G107 L109Y83-Q95 HydrophobicContact CD1-CG 3.78Å; Y83-Q95 VanDerWaalsContact CD1-NE2 3.34Å; Y83-Q95 HydrophobicContact CG-CG 4.24Å; Y85-Q95 HydrophobicContact CD1-CB 4.09Å; Y85-Q95 HydrophobicContact CD1-CG 4.01Å; Y85-Q95 HydrophobicContact CE1-CB 4.09Å; Y85-Q95 HydrophobicContact CE1-CG 3.63Å; Y85-Q95 PolarHBondContact OH-NE2 2.93Å; Y85-Q95 VanDerWaalsContact OH-NE2 3.1Å; Q95-Y105 VanDerWaalsContact OE1-CE1 3.32Å; Q95-S106 CarbonylContact O-C 3.31Å; Q95-S106 VanDerWaalsContact O-CA 3.28Å; Q95-S106 WeakPolarHBondContact O-CA 3.46Å; Q95-G107 PolarHBondContact N-O 2.97Å; Q95-G107 PolarHBondContact O-N 3.29Å; Q95-L109 HydrophobicContact CB-CD1 3.99Å; Q95-L109 HydrophobicContact CB-CD2 3.95Å; Q95-L109 HydrophobicContact CB-CG 3.95Å
96H93.6Very high91.7Very high47 Ų4755.9 Ų55.922%0.21826%0.259CS..EExtended strand (participates in β ladder)trans-128.4112.1177.9-62.6-76.3000110.1K84 T94 Q98 S106K84-H96 HydrophobicContact CB-CB 4.43Å; K84-H96 PolarHBondContact N-O 3.25Å; K84-H96 PolarHBondContact O-N 3.41Å; T94-H96 PolarHBondContact OG1-NE2 3.23Å; H96-Q98 PolarHBondContact O-N 2.93Å; H96-Q98 PolarHBondContact O-NE2 3.21Å; H96-S106 WeakPolarHBondContact ND1-CB 3.27Å; H96-S106 PolarHBondContact ND1-OG 2.62Å
97E92.9Very high91.6Very high22 Ų2253.3 Ų53.310%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-63.3127.1170.5-169.2-174.8159.500109.9M82 Y83 S99 A104 Y105M82-E97 HydrophobicContact CE-CG 3.93Å; M82-E97 VanDerWaalsContact CE-OE1 3.29Å; M82-E97 WeakPolarHBondContact CE-OE1 3.43Å; Y83-E97 HydrophobicContact CD1-CB 3.93Å; Y83-E97 HydrophobicContact CD1-CG 4.26Å; Y83-E97 HydrophobicContact CE1-CB 3.76Å; Y83-E97 HydrophobicContact CE1-CG 3.85Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 VanDerWaalsContact CD-OG 3.28Å; E97-S99 PolarHBondContact O-N 3.22Å; E97-S99 VanDerWaalsContact OE1-CB 3.29Å; E97-S99 WeakPolarHBondContact OE1-CB 2.99Å; E97-S99 PolarHBondContact OE1-OG 3.41Å; E97-A104 HydrophobicContact CB-CB 4.17Å; E97-Y105 VanDerWaalsContact CB-O 3.27Å; E97-Y105 WeakPolarHBondContact CB-O 3.13Å; E97-Y105 PolarHBondContact N-O 2.85Å; E97-Y105 PolarHBondContact OE2-N 3.3Å
98Q90.2Very high91.5Very high77 Ų7753.4 Ų53.436%0.3625%0.247SC..  trans-91.614.9-177.4-60.1-58.2-68.300112.6T79 M82 K84 H96T79-Q98 HydrophobicContact CG2-CG 4.49Å; M82-Q98 PolarHBondContact O-N 3.16Å; K84-Q98 HydrophobicContact CB-CG 3.83Å; K84-Q98 VanDerWaalsContact CB-NE2 3.32Å; H96-Q98 PolarHBondContact O-N 2.93Å; H96-Q98 PolarHBondContact O-NE2 3.21Å
99S85.7Confident91.5Very high28 Ų2853 Ų5320%0.19625%0.245CC..SBendtrans-75.4149.4179.6750000111.2E97 R101E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 VanDerWaalsContact CD-OG 3.28Å; E97-S99 PolarHBondContact O-N 3.22Å; E97-S99 VanDerWaalsContact OE1-CB 3.29Å; E97-S99 WeakPolarHBondContact OE1-CB 2.99Å; E97-S99 PolarHBondContact OE1-OG 3.41Å; S99-R101 PolarHBondContact O-N 2.62Å; S99-R101 WeakPolarHBondContact OG-CG 3.47Å
100F82.8Confident91.5Very high158 Ų15852.9 Ų52.969%0.69324%0.244SC*.SBendtrans-7422.4176.4-64.7-93.8000113.2P37 N38P37-F100 HydrophobicContact CB-CE1 4.28Å; P37-F100 HydrophobicContact CB-CZ 4.1Å; N38-F100 WeakPolarHBondContact ND2-CD1 3.48Å; N38-F100 WeakPolarHBondContact ND2-CE1 2.85Å
101R82.5Confident91.5Very high160 Ų16052.5 Ų52.560%0.60424%0.242SC*.  trans-82.1140.9-179.1-64.7178.6179.81780.1109.4S99 N103 A104S99-R101 PolarHBondContact O-N 2.62Å; S99-R101 WeakPolarHBondContact OG-CG 3.47Å; R101-N103 PolarHBondContact O-N 3.42Å; R101-N103 VanDerWaalsContact O-N 3.15Å; R101-A104 PolarHBondContact O-N 3.22Å
102W77.3Confident91.6Very high242 Ų24249 Ų4992%0.91723%0.226SC*.THydrogen-bonded Turntrans-63-19.9176.568.8-89.3000112.8
103N81.2Confident91.5Very high98 Ų9849.5 Ų49.552%0.52423%0.228SC..THydrogen-bonded Turntrans-120.135.5179.567.9-34.9000112.8R101 Y105R101-N103 PolarHBondContact O-N 3.42Å; R101-N103 VanDerWaalsContact O-N 3.15Å; N103-Y105 PolarHBondContact O-N 3.46Å
104A86.3Confident91.5Very high33 Ų3350.8 Ų50.827%0.27323%0.234SC..  trans-54134.6174.900000111E97 R101 S106E97-A104 HydrophobicContact CB-CB 4.17Å; R101-A104 PolarHBondContact O-N 3.22Å; A104-S106 PolarHBondContact O-N 3.39Å
105Y88.5Confident91.5Very high70 Ų7050.5 Ų50.528%0.27523%0.232SC..  trans-66.3133.1-179.1178.1-106.8000111Q95 E97 N103 R138Q95-Y105 VanDerWaalsContact OE1-CE1 3.32Å; E97-Y105 VanDerWaalsContact CB-O 3.27Å; E97-Y105 WeakPolarHBondContact CB-O 3.13Å; E97-Y105 PolarHBondContact N-O 2.85Å; E97-Y105 PolarHBondContact OE2-N 3.3Å; N103-Y105 PolarHBondContact O-N 3.46Å; Y105-R138 PolarHBondContact OH-NH1 2.99Å; Y105-R138 PolarHBondContact OH-NH2 3.4Å
106S92.3Very high91.6Very high52 Ų5252.3 Ų52.336%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-137.2131.8166-74.90000108.3L53 Q95 H96 A104L53-S106 WeakPolarHBondContact CD2-O 3.26Å; Q95-S106 CarbonylContact O-C 3.31Å; Q95-S106 VanDerWaalsContact O-CA 3.28Å; Q95-S106 WeakPolarHBondContact O-CA 3.46Å; H96-S106 WeakPolarHBondContact ND1-CB 3.27Å; H96-S106 PolarHBondContact ND1-OG 2.62Å; A104-S106 PolarHBondContact O-N 3.39Å
107G94.3Very high91.8Very high0 Ų051.8 Ų51.80%024%0.239CC..EExtended strand (participates in β ladder)trans-160.2164.5-175.100000114.7T94 Q95 D131T94-G107 CarbonylContact C-O 3.58Å; T94-G107 WeakPolarHBondContact CA-O 3.49Å; Q95-G107 PolarHBondContact N-O 2.97Å; Q95-G107 PolarHBondContact O-N 3.29Å; G107-D131 WeakPolarHBondContact CA-OD2 3.39Å
108I97.3Very high91.9Very high1 Ų152.8 Ų52.81%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-93.8122177.6-58.4175000108.3L53 P55 N92 T94 I111 G130 D131L53-I108 HydrophobicContact CB-CD1 4.06Å; L53-I108 HydrophobicContact CB-CG1 3.92Å; L53-I108 HydrophobicContact CD1-CG1 4.07Å; P55-I108 HydrophobicContact CB-CD1 3.94Å; N92-I108 HydrophobicContact CB-CG2 4.47Å; T94-I108 HydrophobicContact CG2-CG1 4.32Å; I108-I111 HydrophobicContact CG2-CD1 4.48Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I108-G130 WeakPolarHBondContact O-CA 3.21Å; I108-D131 PolarHBondContact N-OD2 2.91Å; I108-D131 PolarHBondContact O-N 3.25Å
109L97.3Very high92Very high0 Ų056.4 Ų56.40%027%0.272CS..EExtended strand (participates in β ladder)trans-87.2-18.4177.5-56.8-172.7000112.7Y85 V93 Q95 R138 E139 T140 Y163Y85-L109 HydrophobicContact CD1-CD1 3.92Å; Y85-L109 HydrophobicContact CE1-CD1 3.96Å; V93-L109 HydrophobicContact CB-CB 4.26Å; V93-L109 HydrophobicContact CG1-CB 4.09Å; V93-L109 HydrophobicContact CG1-CD1 4.16Å; V93-L109 HydrophobicContact CG1-CG 4.48Å; V93-L109 PolarHBondContact O-N 3.32Å; Q95-L109 HydrophobicContact CB-CD1 3.99Å; Q95-L109 HydrophobicContact CB-CD2 3.95Å; Q95-L109 HydrophobicContact CB-CG 3.95Å; L109-R138 CarbonylContact O-C 3.52Å; L109-R138 VanDerWaalsContact O-C 3.26Å; L109-R138 WeakPolarHBondContact O-CB 3.39Å; L109-E139 CarbonylContact O-C 3.59Å; L109-E139 PolarHBondContact O-N 3.33Å; L109-T140 WeakPolarHBondContact CB-OG1 3.3Å; L109-T140 PolarHBondContact O-OG1 3.23Å; L109-Y163 HydrophobicContact CB-CD2 4.21Å; L109-Y163 HydrophobicContact CD1-CD1 4.11Å; L109-Y163 HydrophobicContact CD1-CD2 4.36Å; L109-Y163 HydrophobicContact CD1-CE1 4.39Å; L109-Y163 HydrophobicContact CD1-CG 4.11Å; L109-Y163 HydrophobicContact CD2-CD2 4.21Å; L109-Y163 HydrophobicContact CD2-CE1 4.37Å; L109-Y163 HydrophobicContact CD2-CE2 3.8Å
110G97.6Very high92.4Very high0 Ų057.7 Ų57.70%028%0.277CS..EExtended strand (participates in β ladder)trans174.3159.2174.700000112.1N92 V93N92-G110 CarbonylContact C-O 3.6Å; N92-G110 VanDerWaalsContact CA-O 3.28Å; N92-G110 WeakPolarHBondContact CA-O 3.46Å; N92-G110 WeakPolarHBondContact CB-O 3.21Å; V93-G110 PolarHBondContact N-O 2.8Å; V93-G110 PolarHBondContact O-N 3.28Å
111I97.9Very high93Very high2 Ų252.3 Ų52.31%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-123138.4-179.5-58.7165.2000107.4P55 V57 P59 N92 I108 Q113 M127 R128 D129P55-I111 HydrophobicContact CB-CD1 3.56Å; P55-I111 HydrophobicContact CB-CG1 4.22Å; V57-I111 HydrophobicContact CG2-CB 4.5Å; V57-I111 HydrophobicContact CG2-CD1 3.69Å; V57-I111 HydrophobicContact CG2-CG2 4.4Å; P59-I111 HydrophobicContact CB-CG2 3.87Å; N92-I111 HydrophobicContact CB-CG1 4.47Å; I108-I111 HydrophobicContact CG2-CD1 4.48Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I111-Q113 PolarHBondContact O-N 3.43Å; I111-M127 CarbonylContact O-C 3.26Å; I111-M127 VanDerWaalsContact O-C 3.31Å; I111-M127 WeakPolarHBondContact O-CA 3.47Å; I111-R128 WeakPolarHBondContact CA-O 3.24Å; I111-R128 WeakPolarHBondContact CB-O 3.36Å; I111-R128 PolarHBondContact N-O 2.87Å; I111-R128 PolarHBondContact O-N 3.01Å; I111-D129 WeakPolarHBondContact CD1-O 3.38Å
112W97.9Very high93.7Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-55.6127-177.8169-118.9000111.9P59 A60 P61 F90 H91 E114 W115 M125 M127P59-W112 WeakPolarHBondContact CA-O 3.15Å; P59-W112 HydrophobicContact CB-CB 4.12Å; A60-W112 PolarHBondContact N-O 3.07Å; P61-W112 PolarHBondContact O-NE1 3.2Å; P61-W112 VanDerWaalsContact O-NE1 3.1Å; F90-W112 VanDerWaalsContact C-CB 3.44Å; F90-W112 HydrophobicContact CB-CG 4.32Å; F90-W112 HydrophobicContact CD1-CD2 4.22Å; F90-W112 AromaticContact CD1-CE2 3.7Å; F90-W112 AromaticContact CD1-CZ2 3.93Å; F90-W112 HydrophobicContact CD1-CZ2 3.93Å; F90-W112 AromaticContact CD1-NE1 3.79Å; F90-W112 HydrophobicContact CE1-CZ2 4.16Å; H91-W112 PolarHBondContact O-N 2.66Å; W112-E114 WeakPolarHBondContact CZ3-O 3.46Å; W112-W115 AromaticContact CH2-CD1 3.58Å; W112-W115 AromaticContact CH2-CD2 3.79Å; W112-W115 HydrophobicContact CH2-CD2 3.79Å; W112-W115 AromaticContact CH2-CE2 3.58Å; W112-W115 AromaticContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CZ2 4.2Å; W112-W115 AromaticContact CH2-NE1 3.44Å; W112-W115 AromaticContact CZ2-CD1 3.94Å; W112-W115 AromaticContact CZ2-NE1 3.6Å; W112-M125 HydrophobicContact CD2-CE 4.17Å; W112-M125 HydrophobicContact CE3-CB 4.15Å; W112-M125 HydrophobicContact CE3-CE 3.6Å; W112-M125 HydrophobicContact CH2-CB 4.49Å; W112-M125 HydrophobicContact CH2-CE 3.85Å; W112-M125 HydrophobicContact CH2-CG 4.4Å; W112-M125 HydrophobicContact CZ2-CE 4.38Å; W112-M125 HydrophobicContact CZ3-CB 3.55Å; W112-M125 HydrophobicContact CZ3-CE 3.45Å; W112-M125 VanDerWaalsContact CZ3-CE 3.45Å; W112-M125 HydrophobicContact CZ3-CG 3.85Å; W112-M127 HydrophobicContact CB-CE 3.86Å; W112-M127 HydrophobicContact CB-SD 3.98Å; W112-M127 HydrophobicContact CE3-SD 3.84Å
113Q96.4Very high94.7Very high28 Ų2835.9 Ų35.913%0.13120%0.201CC..EExtended strand (participates in β ladder)trans-130-58.9179.4-73.3-67.12.300112.8A60 I111 W126 R128 D129A60-Q113 VanDerWaalsContact CB-O 3.27Å; A60-Q113 WeakPolarHBondContact CB-O 3.33Å; I111-Q113 PolarHBondContact O-N 3.43Å; Q113-W126 PolarHBondContact N-O 3.36Å; Q113-R128 HydrophobicContact CB-CG 4.43Å; Q113-R128 HydrophobicContact CG-CB 3.96Å; Q113-R128 HydrophobicContact CG-CG 4.29Å; Q113-D129 PolarHBondContact NE2-OD2 2.81Å
114E97Very high95.4Very high28 Ų2831.3 Ų31.313%0.13118%0.177CC..EExtended strand (participates in β ladder)trans-152.9161.3-168.166.6-172.7162.600112.7W112 W126 R128 K224W112-E114 WeakPolarHBondContact CZ3-O 3.46Å; E114-W126 HydrophobicContact CG-CB 3.85Å; E114-W126 PolarHBondContact N-O 3.35Å; E114-W126 PolarHBondContact O-N 3.4Å; E114-R128 IonicContact OE1-CZ 2.9Å; E114-R128 IonicContact OE1-NE 3.93Å; E114-R128 PolarHBondContact OE1-NE 2.85Å; E114-R128 IonicContact OE1-NH2 3Å; E114-R128 PolarHBondContact OE1-NH2 3.29Å; E114-K224 HydrophobicContact CB-CB 4.41Å; E114-K224 VanDerWaalsContact OE2-CB 3.29Å; E114-K224 WeakPolarHBondContact OE2-CB 3.39Å; E114-K224 PolarHBondContact OE2-N 3.43Å
115W97.9Very high96Very high2 Ų229.9 Ų29.91%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-83.5152.1170.2-70.597.4000111.5S63 L68 F90 W112 I117 F122 M125 L144 L222 L223S63-W115 PolarHBondContact O-NE1 3.03Å; L68-W115 HydrophobicContact CD1-CH2 3.66Å; L68-W115 HydrophobicContact CD1-CZ2 4.34Å; L68-W115 HydrophobicContact CD1-CZ3 4.5Å; F90-W115 HydrophobicContact CE1-CH2 4.49Å; F90-W115 AromaticContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CE1-CZ2 3.72Å; F90-W115 HydrophobicContact CZ-CZ2 4.05Å; W112-W115 AromaticContact CH2-CD1 3.58Å; W112-W115 AromaticContact CH2-CD2 3.79Å; W112-W115 HydrophobicContact CH2-CD2 3.79Å; W112-W115 AromaticContact CH2-CE2 3.58Å; W112-W115 AromaticContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CG 3.81Å; W112-W115 HydrophobicContact CH2-CZ2 4.2Å; W112-W115 AromaticContact CH2-NE1 3.44Å; W112-W115 AromaticContact CZ2-CD1 3.94Å; W112-W115 AromaticContact CZ2-NE1 3.6Å; W115-I117 HydrophobicContact CB-CG1 4.32Å; W115-F122 HydrophobicContact CB-CD1 3.74Å; W115-F122 HydrophobicContact CB-CE1 3.92Å; W115-F122 AromaticContact CD1-CE1 3.96Å; W115-F122 AromaticContact CD2-CD1 3.6Å; W115-F122 HydrophobicContact CD2-CD1 3.6Å; W115-F122 AromaticContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CG 4.42Å; W115-F122 HydrophobicContact CE3-CB 4.1Å; W115-F122 AromaticContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CE1 4.46Å; W115-F122 HydrophobicContact CE3-CG 4.15Å; W115-F122 AromaticContact CG-CD1 3.62Å; W115-F122 HydrophobicContact CG-CD1 3.62Å; W115-F122 AromaticContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CZ3-CB 4.4Å; W115-M125 HydrophobicContact CD2-CG 4.35Å; W115-M125 HydrophobicContact CE3-CG 3.62Å; W115-M125 HydrophobicContact CH2-CE 4.03Å; W115-M125 HydrophobicContact CH2-CG 3.6Å; W115-M125 HydrophobicContact CH2-SD 3.75Å; W115-M125 HydrophobicContact CZ2-CE 4.18Å; W115-M125 HydrophobicContact CZ2-CG 4.34Å; W115-M125 HydrophobicContact CZ2-SD 4.49Å; W115-M125 HydrophobicContact CZ3-CG 3.2Å; W115-M125 HydrophobicContact CZ3-SD 3.95Å; W115-L144 HydrophobicContact CH2-CD1 4.22Å; W115-L144 HydrophobicContact CZ3-CD1 4.03Å; W115-L222 PolarHBondContact N-O 2.87Å; W115-L223 WeakPolarHBondContact O-CD2 3.13Å
116E97.1Very high96.4Very high51 Ų5128.8 Ų28.824%0.23816%0.16CC..EExtended strand (participates in β ladder)trans-98.3117.3163.8-169.8-179.5177.700109.1T123 G124 W126 K141E116-T123 WeakPolarHBondContact CG-OG1 3.28Å; E116-T123 PolarHBondContact O-N 3.4Å; E116-T123 PolarHBondContact O-OG1 2.91Å; E116-G124 PolarHBondContact N-O 2.9Å; E116-W126 PolarHBondContact OE2-NE1 3.45Å; E116-K141 IonicContact OE1-NZ 3.38Å; E116-K141 PolarHBondContact OE1-NZ 2.95Å; E116-K141 VanDerWaalsContact OE2-CD 3.28Å; E116-K141 WeakPolarHBondContact OE2-CD 3.18Å; E116-K141 WeakPolarHBondContact OE2-CE 3.19Å; E116-K141 IonicContact OE2-NZ 3.83Å; E116-K141 PolarHBondContact OE2-NZ 2.98Å
117I96.8Very high96.7Very high36 Ų3626.3 Ų26.319%0.18514%0.143CC..EExtended strand (participates in β ladder)trans-112.1126.7-178.3-61.4169.3000108.8W115 T121 F122 V180 F217 L222 L223W115-I117 HydrophobicContact CB-CG1 4.32Å; I117-T121 WeakPolarHBondContact CA-O 3.48Å; I117-F122 HydrophobicContact CD1-CD1 4.45Å; I117-F122 HydrophobicContact CD1-CE1 4.09Å; I117-F122 HydrophobicContact CG1-CD1 3.98Å; I117-F122 HydrophobicContact CG1-CE1 4.14Å; I117-V180 HydrophobicContact CD1-CG1 4.35Å; I117-V180 HydrophobicContact CD1-CG2 4.07Å; I117-V180 HydrophobicContact CG1-CG2 4.1Å; I117-V180 HydrophobicContact CG2-CG2 3.8Å; I117-F217 HydrophobicContact CB-CE2 4.47Å; I117-F217 HydrophobicContact CD1-CB 4.29Å; I117-F217 HydrophobicContact CD1-CD2 3.67Å; I117-F217 HydrophobicContact CD1-CE2 4.12Å; I117-F217 HydrophobicContact CD1-CG 3.9Å; I117-F217 HydrophobicContact CG2-CD2 4.35Å; I117-F217 HydrophobicContact CG2-CE2 3.81Å; I117-F217 HydrophobicContact CG2-CZ 4.42Å; I117-L222 HydrophobicContact CD1-CB 4.11Å; I117-L222 HydrophobicContact CD1-CD1 4.19Å; I117-L223 HydrophobicContact CD1-CD2 4.37Å
118A95Very high96.8Very high42 Ų4229 Ų2935%0.34715%0.153SC..EExtended strand (participates in β ladder)trans-136.2139170.400000109.1N120 T121 T123A118-N120 PolarHBondContact O-N 2.85Å; A118-T121 PolarHBondContact N-O 2.85Å; A118-T121 PolarHBondContact O-N 2.79Å; A118-T121 PolarHBondContact O-OG1 2.79Å; A118-T123 HydrophobicContact CB-CG2 3.79Å
119N93.4Very high96.7Very high153 Ų15330.7 Ų30.782%0.81816%0.162SC*.THydrogen-bonded Turntrans49.843.4-179.1-55.7-34.8000112.9T121N119-T121 PolarHBondContact O-N 2.88Å; N119-T121 VanDerWaalsContact O-N 3.16Å
120N93.2Very high96.7Very high55 Ų5530.7 Ų30.729%0.29416%0.163SC..THydrogen-bonded Turntrans62.420.7178.9-55-23000114.5A118 V180 W192A118-N120 PolarHBondContact O-N 2.85Å; N120-V180 WeakPolarHBondContact O-CG2 3.29Å; N120-V180 PolarHBondContact O-N 3.1Å; N120-W192 HydrophobicContact CB-CH2 3.75Å; N120-W192 HydrophobicContact CB-CZ2 3.81Å
121T96.5Very high96.6Very high45 Ų4532.5 Ų32.528%0.27617%0.172SC..EExtended strand (participates in β ladder)trans-127.9146.9177.865.50000112.1I117 A118 N119 T123 L178 L179I117-T121 WeakPolarHBondContact CA-O 3.48Å; A118-T121 PolarHBondContact N-O 2.85Å; A118-T121 PolarHBondContact O-N 2.79Å; A118-T121 PolarHBondContact O-OG1 2.79Å; N119-T121 PolarHBondContact O-N 2.88Å; N119-T121 VanDerWaalsContact O-N 3.16Å; T121-T123 PolarHBondContact O-N 2.87Å; T121-L178 CarbonylContact C-O 3.57Å; T121-L178 VanDerWaalsContact CA-O 3.24Å; T121-L178 WeakPolarHBondContact CA-O 3.49Å; T121-L179 HydrophobicContact CG2-CD2 3.82Å
122F97.4Very high96.5Very high5 Ų536.7 Ų36.72%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-72118.5171.2-62.4-73.2000109.6P65 W115 I117 L178 V180 T183 L222P65-F122 HydrophobicContact CG-CD2 3.65Å; P65-F122 HydrophobicContact CG-CE2 3.6Å; P65-F122 HydrophobicContact CG-CG 4.44Å; P65-F122 HydrophobicContact CG-CZ 4.35Å; W115-F122 HydrophobicContact CB-CD1 3.74Å; W115-F122 HydrophobicContact CB-CE1 3.92Å; W115-F122 AromaticContact CD1-CE1 3.96Å; W115-F122 AromaticContact CD2-CD1 3.6Å; W115-F122 HydrophobicContact CD2-CD1 3.6Å; W115-F122 AromaticContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CE1 3.93Å; W115-F122 HydrophobicContact CD2-CG 4.42Å; W115-F122 HydrophobicContact CE3-CB 4.1Å; W115-F122 AromaticContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CD1 3.69Å; W115-F122 HydrophobicContact CE3-CE1 4.46Å; W115-F122 HydrophobicContact CE3-CG 4.15Å; W115-F122 AromaticContact CG-CD1 3.62Å; W115-F122 HydrophobicContact CG-CD1 3.62Å; W115-F122 AromaticContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CG-CE1 3.64Å; W115-F122 HydrophobicContact CZ3-CB 4.4Å; I117-F122 HydrophobicContact CD1-CD1 4.45Å; I117-F122 HydrophobicContact CD1-CE1 4.09Å; I117-F122 HydrophobicContact CG1-CD1 3.98Å; I117-F122 HydrophobicContact CG1-CE1 4.14Å; F122-L178 HydrophobicContact CB-CB 4.26Å; F122-L178 HydrophobicContact CB-CD2 4.17Å; F122-L178 WeakPolarHBondContact CD2-O 3.38Å; F122-L178 PolarHBondContact N-O 2.88Å; F122-V180 HydrophobicContact CD1-CG2 4.25Å; F122-V180 HydrophobicContact CD2-CG2 4.01Å; F122-V180 HydrophobicContact CE1-CG2 4.07Å; F122-V180 HydrophobicContact CE2-CB 4.2Å; F122-V180 HydrophobicContact CE2-CG2 3.79Å; F122-V180 HydrophobicContact CG-CG2 4.23Å; F122-V180 HydrophobicContact CZ-CB 4.26Å; F122-V180 HydrophobicContact CZ-CG1 4.12Å; F122-V180 HydrophobicContact CZ-CG2 3.83Å; F122-T183 HydrophobicContact CE2-CG2 3.8Å; F122-T183 HydrophobicContact CZ-CG2 4.41Å; F122-L222 HydrophobicContact CE1-CD1 3.98Å; F122-L222 HydrophobicContact CE1-CD2 3.98Å; F122-L222 HydrophobicContact CE1-CG 4.41Å; F122-L222 HydrophobicContact CZ-CD1 3.82Å; F122-L222 HydrophobicContact CZ-CD2 3.99Å
123T96.9Very high96.3Very high53 Ų5337.7 Ų37.733%0.32521%0.205SC..EExtended strand (participates in β ladder)trans-106.2-23.1-178.859.30000113.4E116 A118 T121E116-T123 WeakPolarHBondContact CG-OG1 3.28Å; E116-T123 PolarHBondContact O-N 3.4Å; E116-T123 PolarHBondContact O-OG1 2.91Å; A118-T123 HydrophobicContact CB-CG2 3.79Å; T121-T123 PolarHBondContact O-N 2.87Å
124G96.9Very high96Very high2 Ų239.9 Ų39.92%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-172.2171.1179.800000112.8E116 V142E116-G124 PolarHBondContact N-O 2.9Å; G124-V142 CarbonylContact C-O 3.5Å; G124-V142 WeakPolarHBondContact CA-O 3.31Å
125M98Very high95.8Very high3 Ų345.5 Ų45.52%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-112.1125.3173.4-60.8174.878.200108.4F87 F90 W112 W115 V142 L144F87-M125 HydrophobicContact CZ-SD 4.45Å; F90-M125 HydrophobicContact CD1-CE 3.81Å; F90-M125 HydrophobicContact CE1-CE 3.7Å; F90-M125 HydrophobicContact CG-CE 4.35Å; F90-M125 HydrophobicContact CZ-CE 4.14Å; W112-M125 HydrophobicContact CD2-CE 4.17Å; W112-M125 HydrophobicContact CE3-CB 4.15Å; W112-M125 HydrophobicContact CE3-CE 3.6Å; W112-M125 HydrophobicContact CH2-CB 4.49Å; W112-M125 HydrophobicContact CH2-CE 3.85Å; W112-M125 HydrophobicContact CH2-CG 4.4Å; W112-M125 HydrophobicContact CZ2-CE 4.38Å; W112-M125 HydrophobicContact CZ3-CB 3.55Å; W112-M125 HydrophobicContact CZ3-CE 3.45Å; W112-M125 VanDerWaalsContact CZ3-CE 3.45Å; W112-M125 HydrophobicContact CZ3-CG 3.85Å; W115-M125 HydrophobicContact CD2-CG 4.35Å; W115-M125 HydrophobicContact CE3-CG 3.62Å; W115-M125 HydrophobicContact CH2-CE 4.03Å; W115-M125 HydrophobicContact CH2-CG 3.6Å; W115-M125 HydrophobicContact CH2-SD 3.75Å; W115-M125 HydrophobicContact CZ2-CE 4.18Å; W115-M125 HydrophobicContact CZ2-CG 4.34Å; W115-M125 HydrophobicContact CZ2-SD 4.49Å; W115-M125 HydrophobicContact CZ3-CG 3.2Å; W115-M125 HydrophobicContact CZ3-SD 3.95Å; M125-V142 HydrophobicContact CB-CB 4.12Å; M125-V142 PolarHBondContact N-O 3.01Å; M125-V142 PolarHBondContact O-N 2.96Å; M125-L144 HydrophobicContact SD-CD1 4.46Å; M125-L144 HydrophobicContact SD-CD2 4.37Å
126W97.9Very high95.6Very high47 Ų4751.8 Ų51.818%0.17830%0.295CS..EExtended strand (participates in β ladder)trans-90.3119173.5-83.1109.5000110.6Q113 E114 E116 R128 E139 K141Q113-W126 PolarHBondContact N-O 3.36Å; E114-W126 HydrophobicContact CG-CB 3.85Å; E114-W126 PolarHBondContact N-O 3.35Å; E114-W126 PolarHBondContact O-N 3.4Å; E116-W126 PolarHBondContact OE2-NE1 3.45Å; W126-R128 HydrophobicContact CB-CG 4.43Å; W126-E139 HydrophobicContact CZ3-CB 4.45Å; W126-K141 HydrophobicContact CD2-CB 4.43Å; W126-K141 HydrophobicContact CE3-CB 4.11Å; W126-K141 HydrophobicContact CH2-CB 3.86Å; W126-K141 HydrophobicContact CH2-CD 4.27Å; W126-K141 HydrophobicContact CZ2-CB 4.17Å; W126-K141 HydrophobicContact CZ2-CD 3.9Å; W126-K141 HydrophobicContact CZ2-CG 4.39Å; W126-K141 HydrophobicContact CZ3-CB 3.83Å
127M97.7Very high95.6Very high0 Ų051.8 Ų51.80%030%0.297CS..EExtended strand (participates in β ladder)trans-105.2106.7173-44.2-69.4-72.100107.4F87 N92 V93 I111 W112 E139 T140 V142F87-M127 HydrophobicContact CE2-CE 4.23Å; F87-M127 HydrophobicContact CE2-SD 4.45Å; N92-M127 VanDerWaalsContact CA-CE 3.5Å; V93-M127 HydrophobicContact CG2-CB 4.35Å; V93-M127 HydrophobicContact CG2-CE 4.07Å; V93-M127 HydrophobicContact CG2-CG 3.89Å; I111-M127 CarbonylContact O-C 3.26Å; I111-M127 VanDerWaalsContact O-C 3.31Å; I111-M127 WeakPolarHBondContact O-CA 3.47Å; W112-M127 HydrophobicContact CB-CE 3.86Å; W112-M127 HydrophobicContact CB-SD 3.98Å; W112-M127 HydrophobicContact CE3-SD 3.84Å; M127-E139 CarbonylContact O-C 3.58Å; M127-E139 WeakPolarHBondContact O-CA 3.38Å; M127-T140 WeakPolarHBondContact CB-O 3.3Å; M127-T140 PolarHBondContact N-O 3.12Å; M127-T140 PolarHBondContact O-N 2.8Å; M127-V142 HydrophobicContact CG-CG2 3.82Å
128R96.6Very high95.6Very high55 Ų5551.8 Ų51.821%0.20829%0.294CS..EExtended strand (participates in β ladder)trans-112.4-177.5-175-49.5-175.6177.2-79.5-2.5111.9I111 Q113 E114 W126 G130 E139I111-R128 WeakPolarHBondContact CA-O 3.24Å; I111-R128 WeakPolarHBondContact CB-O 3.36Å; I111-R128 PolarHBondContact N-O 2.87Å; I111-R128 PolarHBondContact O-N 3.01Å; Q113-R128 HydrophobicContact CB-CG 4.43Å; Q113-R128 HydrophobicContact CG-CB 3.96Å; Q113-R128 HydrophobicContact CG-CG 4.29Å; E114-R128 IonicContact OE1-CZ 2.9Å; E114-R128 IonicContact OE1-NE 3.93Å; E114-R128 PolarHBondContact OE1-NE 2.85Å; E114-R128 IonicContact OE1-NH2 3Å; E114-R128 PolarHBondContact OE1-NH2 3.29Å; W126-R128 HydrophobicContact CB-CG 4.43Å; R128-G130 PolarHBondContact O-N 2.85Å; R128-E139 HydrophobicContact CB-CG 4.32Å; R128-E139 HydrophobicContact CG-CG 4.48Å; R128-E139 IonicContact CZ-OE1 3.08Å; R128-E139 IonicContact NH1-OE1 3.08Å; R128-E139 PolarHBondContact NH1-OE1 3.23Å; R128-E139 IonicContact NH1-OE2 2.87Å; R128-E139 PolarHBondContact NH1-OE2 3.46Å
129D95.9Very high95.7Very high37 Ų3752.2 Ų52.220%0.19829%0.289CS..  trans58.233.7172.2-58-52.4000114.6V57 I111 Q113V57-D129 HydrophobicContact CG2-CB 3.63Å; I111-D129 WeakPolarHBondContact CD1-O 3.38Å; Q113-D129 PolarHBondContact NE2-OD2 2.81Å
130G96.2Very high95.9Very high1 Ų144.9 Ų44.91%0.0125%0.25CS..  trans-68-166.3170.400000113.3K56 I108 R128 R138K56-G130 PolarHBondContact NZ-O 3.29Å; I108-G130 WeakPolarHBondContact O-CA 3.21Å; R128-G130 PolarHBondContact O-N 2.85Å; G130-R138 WeakPolarHBondContact CA-O 3.45Å; G130-R138 PolarHBondContact N-O 2.75Å
131D95.6Very high96.2Very high37 Ų3745 Ų4520%0.19825%0.248CC..SBendtrans-61.7150179-72.4-13.3000111.7G107 I108 C133 R138G107-D131 WeakPolarHBondContact CA-OD2 3.39Å; I108-D131 PolarHBondContact N-OD2 2.91Å; I108-D131 PolarHBondContact O-N 3.25Å; D131-C133 PolarHBondContact O-N 2.91Å; D131-R138 WeakPolarHBondContact O-CG 3.34Å; D131-R138 PolarHBondContact O-N 3.25Å; D131-R138 PolarHBondContact O-NH1 3.35Å
132T95.3Very high96.3Very high90 Ų9042.8 Ų42.855%0.55224%0.235SC*.EExtended strand (participates in β ladder)trans-63.2135.2-179.3-49.80000110K56 R138K56-T132 VanDerWaalsContact NZ-N 3.15Å; K56-T132 PolarHBondContact NZ-OG1 3.27Å; T132-R138 PolarHBondContact O-NH1 3.24Å; T132-R138 VanDerWaalsContact O-NH1 3.09Å
133C93.9Very high96.3Very high22 Ų2244.6 Ų44.615%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-139.487.4-177.5-172.30000108.7D131 T135 R136 R138 C161D131-C133 PolarHBondContact O-N 2.91Å; C133-T135 PolarHBondContact O-N 2.87Å; C133-R136 CarbonylContact C-O 3.58Å; C133-R136 WeakPolarHBondContact CA-O 3.47Å; C133-R136 PolarHBondContact N-O 2.96Å; C133-R136 PolarHBondContact O-N 3.4Å; C133-R138 HydrophobicContact CB-CG 3.76Å; C133-C161 HydrophobicContact CB-CB 3.59Å; C133-C161 WeakPolarHBondContact CB-SG 3.14Å; C133-C161 PolarHBondContact O-SG 2.79Å; C133-C161 VanDerWaalsContact O-SG 3.41Å; C133-C161 WeakPolarHBondContact SG-CB 3.39Å; C133-C161 CovalentContact SG-SG 2.02Å; C133-C161 PolarHBondContact SG-SG 2.83Å
134G91.4Very high96.4Very high74 Ų7443.1 Ų43.176%0.76324%0.236SC*.THydrogen-bonded Turntrans63.8-117.1-172.400000111.5
135T91.7Very high96.4Very high145 Ų14545.7 Ų45.789%0.8925%0.251SS*.THydrogen-bonded Turntrans-90.3-6.5-177.854.80000114.4C133C133-T135 PolarHBondContact O-N 2.87Å
136R94.3Very high96.4Very high134 Ų13448.8 Ų48.851%0.50627%0.272SS..EExtended strand (participates in β ladder)trans-128.9161.9-178.962.8-176.866.9-175-0.9111.3C133 C161C133-R136 CarbonylContact C-O 3.58Å; C133-R136 WeakPolarHBondContact CA-O 3.47Å; C133-R136 PolarHBondContact N-O 2.96Å; C133-R136 PolarHBondContact O-N 3.4Å; R136-C161 HydrophobicContact CG-CB 4.11Å
137N96.1Very high96.4Very high52 Ų5247.7 Ų47.728%0.27827%0.271SS..EExtended strand (participates in β ladder)trans-80.6153.4166.6-68-30.1000109.2K56K56-N137 PolarHBondContact NZ-OD1 2.7Å
138R97.3Very high96.4Very high35 Ų3555.5 Ų55.513%0.13231%0.313CS..  trans-63.5140.1169.4-68.1-178.717679.6-3.8110.1Y105 L109 G130 D131 T132 C133 C161 Y163Y105-R138 PolarHBondContact OH-NH1 2.99Å; Y105-R138 PolarHBondContact OH-NH2 3.4Å; L109-R138 CarbonylContact O-C 3.52Å; L109-R138 VanDerWaalsContact O-C 3.26Å; L109-R138 WeakPolarHBondContact O-CB 3.39Å; G130-R138 WeakPolarHBondContact CA-O 3.45Å; G130-R138 PolarHBondContact N-O 2.75Å; D131-R138 WeakPolarHBondContact O-CG 3.34Å; D131-R138 PolarHBondContact O-N 3.25Å; D131-R138 PolarHBondContact O-NH1 3.35Å; T132-R138 PolarHBondContact O-NH1 3.24Å; T132-R138 VanDerWaalsContact O-NH1 3.09Å; C133-R138 HydrophobicContact CB-CG 3.76Å; R138-C161 WeakPolarHBondContact CA-O 3.36Å; R138-C161 HydrophobicContact CG-CB 4.31Å; R138-Y163 HydrophobicContact CB-CE2 4.15Å; R138-Y163 HydrophobicContact CG-CE2 3.95Å
139E97.6Very high96.4Very high51 Ų5155.7 Ų55.724%0.23832%0.323CS..EExtended strand (participates in β ladder)trans-131.3146.7174.7-58.1-169.9142.100109.7L109 W126 M127 R128 C161 I162 Y163L109-E139 CarbonylContact O-C 3.59Å; L109-E139 PolarHBondContact O-N 3.33Å; W126-E139 HydrophobicContact CZ3-CB 4.45Å; M127-E139 CarbonylContact O-C 3.58Å; M127-E139 WeakPolarHBondContact O-CA 3.38Å; R128-E139 HydrophobicContact CB-CG 4.32Å; R128-E139 HydrophobicContact CG-CG 4.48Å; R128-E139 IonicContact CZ-OE1 3.08Å; R128-E139 IonicContact NH1-OE1 3.08Å; R128-E139 PolarHBondContact NH1-OE1 3.23Å; R128-E139 IonicContact NH1-OE2 2.87Å; R128-E139 PolarHBondContact NH1-OE2 3.46Å; E139-C161 PolarHBondContact N-O 2.98Å; E139-I162 WeakPolarHBondContact O-CA 3.27Å; E139-Y163 PolarHBondContact O-N 3.29Å
140T98.4Very high96.5Very high0 Ų055.8 Ų55.80%033%0.326CS..EExtended strand (participates in β ladder)trans-131126.4179.3-54.30000110.2V93 L109 M127 V142 Y163 V165V93-T140 HydrophobicContact CG1-CG2 4.43Å; V93-T140 HydrophobicContact CG2-CG2 4.14Å; L109-T140 WeakPolarHBondContact CB-OG1 3.3Å; L109-T140 PolarHBondContact O-OG1 3.23Å; M127-T140 WeakPolarHBondContact CB-O 3.3Å; M127-T140 PolarHBondContact N-O 3.12Å; M127-T140 PolarHBondContact O-N 2.8Å; T140-V142 HydrophobicContact CG2-CG2 4.39Å; T140-Y163 CarbonylContact C-O 3.5Å; T140-Y163 WeakPolarHBondContact CA-O 3.31Å; T140-V165 HydrophobicContact CG2-CB 4.09Å; T140-V165 HydrophobicContact CG2-CG2 3.45Å; T140-V165 VanDerWaalsContact CG2-CG2 3.45Å
141K98.4Very high96.5Very high56 Ų5660.1 Ų60.124%0.24335%0.345CS..EExtended strand (participates in β ladder)trans-92.4122.1167.1176.5169.9169.5161.90109.2E116 W126 V143 Y163 S164 V165E116-K141 IonicContact OE1-NZ 3.38Å; E116-K141 PolarHBondContact OE1-NZ 2.95Å; E116-K141 VanDerWaalsContact OE2-CD 3.28Å; E116-K141 WeakPolarHBondContact OE2-CD 3.18Å; E116-K141 WeakPolarHBondContact OE2-CE 3.19Å; E116-K141 IonicContact OE2-NZ 3.83Å; E116-K141 PolarHBondContact OE2-NZ 2.98Å; W126-K141 HydrophobicContact CD2-CB 4.43Å; W126-K141 HydrophobicContact CE3-CB 4.11Å; W126-K141 HydrophobicContact CH2-CB 3.86Å; W126-K141 HydrophobicContact CH2-CD 4.27Å; W126-K141 HydrophobicContact CZ2-CB 4.17Å; W126-K141 HydrophobicContact CZ2-CD 3.9Å; W126-K141 HydrophobicContact CZ2-CG 4.39Å; W126-K141 HydrophobicContact CZ3-CB 3.83Å; K141-V143 HydrophobicContact CG-CG2 4.41Å; K141-Y163 PolarHBondContact N-O 2.83Å; K141-S164 WeakPolarHBondContact O-CA 3.41Å; K141-V165 PolarHBondContact O-N 3.22Å
142V98.4Very high96.6Very high0 Ų058.8 Ų58.80%034%0.338CS..EExtended strand (participates in β ladder)trans-99.9124.3173.9-176.60000109.2F87 V93 G124 M125 M127 T140 L144 V165 F167F87-V142 HydrophobicContact CD1-CG1 4.5Å; F87-V142 HydrophobicContact CD2-CG2 4.37Å; F87-V142 HydrophobicContact CE1-CG1 3.79Å; F87-V142 HydrophobicContact CE2-CG1 4.42Å; F87-V142 HydrophobicContact CE2-CG2 3.89Å; F87-V142 HydrophobicContact CZ-CB 4.35Å; F87-V142 HydrophobicContact CZ-CG1 3.74Å; F87-V142 HydrophobicContact CZ-CG2 4.04Å; V93-V142 HydrophobicContact CG2-CG2 4.39Å; G124-V142 CarbonylContact C-O 3.5Å; G124-V142 WeakPolarHBondContact CA-O 3.31Å; M125-V142 HydrophobicContact CB-CB 4.12Å; M125-V142 PolarHBondContact N-O 3.01Å; M125-V142 PolarHBondContact O-N 2.96Å; M127-V142 HydrophobicContact CG-CG2 3.82Å; T140-V142 HydrophobicContact CG2-CG2 4.39Å; V142-L144 HydrophobicContact CG1-CD2 4.36Å; V142-V165 CarbonylContact C-O 3.43Å; V142-V165 WeakPolarHBondContact CA-O 3.3Å; V142-V165 HydrophobicContact CG1-CG1 4.21Å; V142-V165 HydrophobicContact CG2-CB 4.2Å; V142-V165 HydrophobicContact CG2-CG1 4.4Å; V142-F167 HydrophobicContact CG1-CB 3.95Å
143V98.3Very high96.7Very high42 Ų4257 Ų5726%0.25533%0.327SS..EExtended strand (participates in β ladder)trans-102.9126.3175-177.70000108.6K141 V145 V165 F167K141-V143 HydrophobicContact CG-CG2 4.41Å; V143-V145 HydrophobicContact CG1-CG2 4.27Å; V143-V165 PolarHBondContact N-O 2.86Å; V143-F167 PolarHBondContact O-N 2.9Å
144L97.8Very high96.8Very high22 Ų2261 Ų6112%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-91.5128.2178.7-56.3175.7000109.8L68 W115 M125 V142 F167 V172 L178L68-L144 HydrophobicContact CD1-CD1 3.89Å; W115-L144 HydrophobicContact CH2-CD1 4.22Å; W115-L144 HydrophobicContact CZ3-CD1 4.03Å; M125-L144 HydrophobicContact SD-CD1 4.46Å; M125-L144 HydrophobicContact SD-CD2 4.37Å; V142-L144 HydrophobicContact CG1-CD2 4.36Å; L144-F167 CarbonylContact C-O 3.59Å; L144-F167 WeakPolarHBondContact CA-O 3.38Å; L144-F167 HydrophobicContact CD2-CB 4.28Å; L144-F167 HydrophobicContact CD2-CD1 3.73Å; L144-F167 HydrophobicContact CD2-CG 4.47Å; L144-V172 HydrophobicContact CB-CG1 4.03Å; L144-V172 HydrophobicContact CB-CG2 4.24Å; L144-V172 HydrophobicContact CD1-CG1 4.07Å; L144-L178 HydrophobicContact CD1-CD2 4.44Å
145V97.9Very high97.1Very high56 Ų5658 Ų5834%0.33931%0.31SS..EExtended strand (participates in β ladder)trans-125.5138.9-178.2-179.90000110.2V143 S147 T166 F167 E168 T169 V172V143-V145 HydrophobicContact CG1-CG2 4.27Å; V145-S147 PolarHBondContact O-N 3.14Å; V145-T166 HydrophobicContact CB-CG2 4.35Å; V145-T166 HydrophobicContact CG2-CG2 3.63Å; V145-F167 PolarHBondContact N-O 3.28Å; V145-E168 HydrophobicContact CB-CG 4.22Å; V145-E168 HydrophobicContact CG1-CG 4.4Å; V145-E168 CarbonylContact O-C 3.54Å; V145-E168 VanDerWaalsContact O-CA 3.26Å; V145-E168 WeakPolarHBondContact O-CA 3.41Å; V145-T169 PolarHBondContact O-N 3.23Å; V145-V172 VanDerWaalsContact C-CG2 3.48Å
146C97.9Very high97.3Very high68 Ų6853.2 Ų53.246%0.45928%0.283SS..EExtended strand (participates in β ladder)trans-65.4130.1176.1167.40000111.1V172 C173C146-V172 HydrophobicContact CB-CG2 4.47Å; C146-C173 WeakPolarHBondContact CA-SG 3.15Å; C146-C173 HydrophobicContact CB-CB 3.92Å; C146-C173 WeakPolarHBondContact CB-SG 3.4Å; C146-C173 WeakPolarHBondContact SG-CA 3.39Å; C146-C173 WeakPolarHBondContact SG-CB 3.26Å; C146-C173 CovalentContact SG-SG 2.03Å; C146-C173 PolarHBondContact SG-SG 3.41Å
147S97.8Very high97.4Very high24 Ų2451.4 Ų51.417%0.16828%0.28CS..  trans-156.8170.2173.7-171.30000110.8V145 S149 E168 T169 P170V145-S147 PolarHBondContact O-N 3.14Å; S147-S149 VanDerWaalsContact C-N 3.28Å; S147-S149 PolarHBondContact O-N 2.99Å; S147-E168 WeakPolarHBondContact CB-OE2 3.42Å; S147-E168 PolarHBondContact OG-OE2 3.06Å; S147-T169 PolarHBondContact N-O 2.88Å; S147-T169 CarbonylContact O-C 3.5Å; S147-P170 WeakPolarHBondContact O-CA 3.48Å; S147-P170 VanDerWaalsContact O-CB 3.27Å; S147-P170 WeakPolarHBondContact O-CB 3.24Å; S147-P170 WeakPolarHBondContact O-CD 3.44Å
148N97.1Very high97.4Very high165 Ų16553.3 Ų53.388%0.88230%0.295SS*.SBendtrans-74.6-17.9-179.7-66.8-24.5000113.4
149S96.8Very high97.3Very high58 Ų5854.2 Ų54.241%0.40631%0.307SS..SBendtrans-136.7156.7-179.162.60000111.8S147 E168S147-S149 VanDerWaalsContact C-N 3.28Å; S147-S149 PolarHBondContact O-N 2.99Å; S149-E168 CarbonylContact O-C 3.5Å
150S97.9Very high97.2Very high39 Ų3957 Ų5727%0.27333%0.328SS..  trans-87.2113.3174.7-62.10000110F76 E168 T169F76-S150 WeakPolarHBondContact CD1-O 3.32Å; F76-S150 VanDerWaalsContact CE1-O 3.31Å; F76-S150 WeakPolarHBondContact CE1-O 3.39Å; S150-E168 CarbonylContact C-O 3.56Å; S150-E168 WeakPolarHBondContact CA-O 3.37Å; S150-T169 PolarHBondContact OG-OG1 3.22Å
151K97.6Very high97.1Very high93 Ų9357.3 Ų57.340%0.40433%0.33SS..EExtended strand (participates in β ladder)trans-157.9152.2-178.557.3174.5-179.1172.40112.1V153 F167 E168K151-V153 HydrophobicContact CD-CG2 4.08Å; K151-V153 HydrophobicContact CG-CG2 3.83Å; K151-F167 VanDerWaalsContact O-CD2 3.3Å; K151-F167 WeakPolarHBondContact O-CD2 3.39Å; K151-E168 WeakPolarHBondContact CE-OE2 3.41Å; K151-E168 HydrophobicContact CG-CB 4.14Å; K151-E168 PolarHBondContact N-O 2.89Å; K151-E168 IonicContact NZ-OE2 2.62Å; K151-E168 PolarHBondContact NZ-OE2 2.85Å; K151-E168 PolarHBondContact O-N 3.29Å
152L97.4Very high97Very high8 Ų856.5 Ų56.54%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-80.7124.5169.7-172.862.9000108.5F76 L78 F87 V155 V165F76-L152 HydrophobicContact CB-CB 4.32Å; L78-L152 HydrophobicContact CB-CB 3.99Å; L78-L152 HydrophobicContact CB-CD2 3.61Å; L78-L152 HydrophobicContact CB-CG 3.7Å; L78-L152 HydrophobicContact CD2-CG 4.32Å; F87-L152 HydrophobicContact CB-CD1 4.24Å; F87-L152 HydrophobicContact CB-CD2 4.34Å; L152-V155 HydrophobicContact CD1-CG2 4.48Å; L152-V155 HydrophobicContact CD2-CG2 4.31Å; L152-V155 HydrophobicContact CG-CG2 4.45Å; L152-V165 HydrophobicContact CD1-CG1 3.19Å
153V96.9Very high96.9Very high54 Ų5457 Ų5733%0.32733%0.33SS..EExtended strand (participates in β ladder)trans-112.7-39.1-170.2178.40000113.1L78 K151 T166 E168L78-V153 WeakPolarHBondContact CD2-O 3.48Å; K151-V153 HydrophobicContact CD-CG2 4.08Å; K151-V153 HydrophobicContact CG-CG2 3.83Å; V153-T166 PolarHBondContact N-O 3.05Å; V153-E168 HydrophobicContact CG2-CB 3.83Å; V153-E168 VanDerWaalsContact CG2-CD 3.48Å; V153-E168 HydrophobicContact CG2-CG 3.65Å
154Q96.5Very high96.9Very high104 Ų10456.5 Ų56.549%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-147.7140.4-176.4-173178-3.400110.5V165 T166Q154-V165 WeakPolarHBondContact O-CA 3.35Å; Q154-T166 PolarHBondContact O-N 3.04Å
155V97.3Very high97Very high12 Ų1255.5 Ų55.57%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-126.8136.6169.3-174.40000108.4L78 Y85 L152 V165L78-V155 HydrophobicContact CD2-CG2 4.28Å; Y85-V155 HydrophobicContact CD1-CB 4.4Å; Y85-V155 HydrophobicContact CD1-CG1 3.87Å; Y85-V155 HydrophobicContact CD1-CG2 4.28Å; Y85-V155 HydrophobicContact CD2-CB 4.09Å; Y85-V155 HydrophobicContact CD2-CG1 4.39Å; Y85-V155 HydrophobicContact CD2-CG2 3.91Å; Y85-V155 HydrophobicContact CE1-CB 4.47Å; Y85-V155 HydrophobicContact CE1-CG1 3.78Å; Y85-V155 HydrophobicContact CE2-CB 4.19Å; Y85-V155 HydrophobicContact CE2-CG1 4.33Å; Y85-V155 HydrophobicContact CG-CB 4.2Å; Y85-V155 HydrophobicContact CG-CG1 4.17Å; Y85-V155 HydrophobicContact CG-CG2 3.78Å; L152-V155 HydrophobicContact CD1-CG2 4.48Å; L152-V155 HydrophobicContact CD2-CG2 4.31Å; L152-V155 HydrophobicContact CG-CG2 4.45Å; V155-V165 HydrophobicContact CG1-CG2 4.13Å; V155-V165 HydrophobicContact CG2-CG2 4.15Å
156S96.5Very high97Very high45 Ų4554.3 Ų54.332%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-142.2153.6178.158.80000110.8P158 Y163 S164S156-P158 VanDerWaalsContact C-CD 3.45Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.17Å; S156-Y163 CarbonylContact O-C 3.55Å; S156-Y163 VanDerWaalsContact O-CA 3.29Å; S156-Y163 WeakPolarHBondContact O-CA 3.34Å; S156-S164 PolarHBondContact N-O 3.28Å; S156-S164 PolarHBondContact O-N 2.86Å; S156-S164 PolarHBondContact OG-O 3.1Å
157E96.3Very high97Very high96 Ų9651.1 Ų51.145%0.44929%0.294SS..EExtended strand (participates in β ladder)trans-112.181.3172.7-171.9172.8173.500108.5S159 T160 C161 Y163E157-S159 VanDerWaalsContact CG-O 3.28Å; E157-S159 WeakPolarHBondContact CG-O 3.24Å; E157-S159 PolarHBondContact O-N 2.76Å; E157-T160 WeakPolarHBondContact OE1-CA 3.3Å; E157-C161 PolarHBondContact OE1-N 2.87Å; E157-Y163 HydrophobicContact CB-CD1 3.93Å; E157-Y163 HydrophobicContact CB-CE1 3.84Å; E157-Y163 HydrophobicContact CG-CD1 4.11Å; E157-Y163 HydrophobicContact CG-CE1 3.79Å; E157-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E157-Y163 WeakPolarHBondContact OE2-CE1 3.46Å; E157-Y163 PolarHBondContact OE2-OH 2.8Å
158P95.8Very high97Very high91 Ų9151.7 Ų51.759%0.59129%0.294SS*.EExtended strand (participates in β ladder)trans-61.6-26.8-178.523.2-36.1000113.5S156 I162S156-P158 VanDerWaalsContact C-CD 3.45Å; S156-P158 VanDerWaalsContact O-CD 3.24Å; S156-P158 WeakPolarHBondContact O-CD 3.17Å; P158-I162 WeakPolarHBondContact CD-O 3.29Å
159S95.1Very high97.1Very high54 Ų5443.8 Ų43.838%0.37825%0.252SS..EExtended strand (participates in β ladder)trans-149156.4171.367.20000109.7E157 C161 I162E157-S159 VanDerWaalsContact CG-O 3.28Å; E157-S159 WeakPolarHBondContact CG-O 3.24Å; E157-S159 PolarHBondContact O-N 2.76Å; S159-C161 PolarHBondContact O-N 2.88Å; S159-I162 CarbonylContact O-C 3.46Å; S159-I162 PolarHBondContact O-N 3.45Å; S159-I162 VanDerWaalsContact OG-CB 3.31Å; S159-I162 WeakPolarHBondContact OG-CB 3.28Å; S159-I162 WeakPolarHBondContact OG-CD1 3.36Å; S159-I162 WeakPolarHBondContact OG-CG1 3.35Å
160T94.9Very high97.1Very high110 Ų11043.9 Ų43.968%0.67525%0.251SS*.THydrogen-bonded Turntrans-51.9125.9-175.4-47.70000111.9E157 I162E157-T160 WeakPolarHBondContact OE1-CA 3.3Å; T160-I162 PolarHBondContact O-N 3.22Å
161C95.6Very high97.1Very high6 Ų643.5 Ų43.54%0.04125%0.245CC..THydrogen-bonded Turntrans67.44.4-176.9-37.60000115.9C133 R136 R138 E139 E157 S159C133-C161 HydrophobicContact CB-CB 3.59Å; C133-C161 WeakPolarHBondContact CB-SG 3.14Å; C133-C161 PolarHBondContact O-SG 2.79Å; C133-C161 VanDerWaalsContact O-SG 3.41Å; C133-C161 WeakPolarHBondContact SG-CB 3.39Å; C133-C161 CovalentContact SG-SG 2.02Å; C133-C161 PolarHBondContact SG-SG 2.83Å; R136-C161 HydrophobicContact CG-CB 4.11Å; R138-C161 WeakPolarHBondContact CA-O 3.36Å; R138-C161 HydrophobicContact CG-CB 4.31Å; E139-C161 PolarHBondContact N-O 2.98Å; E157-C161 PolarHBondContact OE1-N 2.87Å; S159-C161 PolarHBondContact O-N 2.88Å
162I97.1Very high97.1Very high40 Ų4039.7 Ų39.721%0.20523%0.23CC..EExtended strand (participates in β ladder)trans-115.6117.9174.8-54.4-173.7000108.4E139 P158 S159 T160E139-I162 WeakPolarHBondContact O-CA 3.27Å; P158-I162 WeakPolarHBondContact CD-O 3.29Å; S159-I162 CarbonylContact O-C 3.46Å; S159-I162 PolarHBondContact O-N 3.45Å; S159-I162 VanDerWaalsContact OG-CB 3.31Å; S159-I162 WeakPolarHBondContact OG-CB 3.28Å; S159-I162 WeakPolarHBondContact OG-CD1 3.36Å; S159-I162 WeakPolarHBondContact OG-CG1 3.35Å; T160-I162 PolarHBondContact O-N 3.22Å
163Y97.6Very high97.1Very high11 Ų1141.9 Ų41.94%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-105.4150.1-178.1-59.4-89.4000110.7L109 R138 E139 T140 K141 S156 E157L109-Y163 HydrophobicContact CB-CD2 4.21Å; L109-Y163 HydrophobicContact CD1-CD1 4.11Å; L109-Y163 HydrophobicContact CD1-CD2 4.36Å; L109-Y163 HydrophobicContact CD1-CE1 4.39Å; L109-Y163 HydrophobicContact CD1-CG 4.11Å; L109-Y163 HydrophobicContact CD2-CD2 4.21Å; L109-Y163 HydrophobicContact CD2-CE1 4.37Å; L109-Y163 HydrophobicContact CD2-CE2 3.8Å; R138-Y163 HydrophobicContact CB-CE2 4.15Å; R138-Y163 HydrophobicContact CG-CE2 3.95Å; E139-Y163 PolarHBondContact O-N 3.29Å; T140-Y163 CarbonylContact C-O 3.5Å; T140-Y163 WeakPolarHBondContact CA-O 3.31Å; K141-Y163 PolarHBondContact N-O 2.83Å; S156-Y163 CarbonylContact O-C 3.55Å; S156-Y163 VanDerWaalsContact O-CA 3.29Å; S156-Y163 WeakPolarHBondContact O-CA 3.34Å; E157-Y163 HydrophobicContact CB-CD1 3.93Å; E157-Y163 HydrophobicContact CB-CE1 3.84Å; E157-Y163 HydrophobicContact CG-CD1 4.11Å; E157-Y163 HydrophobicContact CG-CE1 3.79Å; E157-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E157-Y163 WeakPolarHBondContact OE2-CE1 3.46Å; E157-Y163 PolarHBondContact OE2-OH 2.8Å
164S98.1Very high97Very high31 Ų3144.8 Ų44.822%0.21726%0.255CS..EExtended strand (participates in β ladder)trans-125.2125.1170.9179.20000108.8K141 S156K141-S164 WeakPolarHBondContact O-CA 3.41Å; S156-S164 PolarHBondContact N-O 3.28Å; S156-S164 PolarHBondContact O-N 2.86Å; S156-S164 PolarHBondContact OG-O 3.1Å
165V98.1Very high96.9Very high1 Ų144.9 Ų44.91%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-117128.9-177.1167.60000109.1T140 K141 V142 V143 L152 Q154 V155T140-V165 HydrophobicContact CG2-CB 4.09Å; T140-V165 HydrophobicContact CG2-CG2 3.45Å; T140-V165 VanDerWaalsContact CG2-CG2 3.45Å; K141-V165 PolarHBondContact O-N 3.22Å; V142-V165 CarbonylContact C-O 3.43Å; V142-V165 WeakPolarHBondContact CA-O 3.3Å; V142-V165 HydrophobicContact CG1-CG1 4.21Å; V142-V165 HydrophobicContact CG2-CB 4.2Å; V142-V165 HydrophobicContact CG2-CG1 4.4Å; V143-V165 PolarHBondContact N-O 2.86Å; L152-V165 HydrophobicContact CD1-CG1 3.19Å; Q154-V165 WeakPolarHBondContact O-CA 3.35Å; V155-V165 HydrophobicContact CG1-CG2 4.13Å; V155-V165 HydrophobicContact CG2-CG2 4.15Å
166T98.3Very high96.7Very high31 Ų3150.1 Ų50.119%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-101.5115.6171.4-55.90000109.6V145 V153 Q154V145-T166 HydrophobicContact CB-CG2 4.35Å; V145-T166 HydrophobicContact CG2-CG2 3.63Å; V153-T166 PolarHBondContact N-O 3.05Å; Q154-T166 PolarHBondContact O-N 3.04Å
167F98.5Very high96.7Very high0 Ų048.6 Ų48.60%028%0.278CS..EExtended strand (participates in β ladder)trans-111.1119.6177.9-177.8-105.8000110.2L71 F76 F87 V142 V143 L144 V145 K151 T169L71-F167 HydrophobicContact CD1-CE1 3.98Å; F76-F167 HydrophobicContact CB-CE2 3.94Å; F76-F167 HydrophobicContact CD1-CE2 4.05Å; F76-F167 HydrophobicContact CD1-CZ 4.36Å; F76-F167 AromaticContact CD2-CE2 3.44Å; F76-F167 HydrophobicContact CD2-CE2 3.44Å; F76-F167 VanDerWaalsContact CD2-CE2 3.44Å; F76-F167 AromaticContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CD2-CZ 3.64Å; F76-F167 HydrophobicContact CE1-CE2 4.43Å; F76-F167 HydrophobicContact CE1-CZ 4.29Å; F76-F167 AromaticContact CE2-CE2 3.89Å; F76-F167 HydrophobicContact CE2-CE2 3.89Å; F76-F167 AromaticContact CE2-CZ 3.55Å; F76-F167 HydrophobicContact CE2-CZ 3.55Å; F76-F167 AromaticContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CE2 3.53Å; F76-F167 HydrophobicContact CG-CZ 4.06Å; F76-F167 HydrophobicContact CZ-CE2 4.36Å; F76-F167 AromaticContact CZ-CZ 3.9Å; F76-F167 HydrophobicContact CZ-CZ 3.9Å; F87-F167 HydrophobicContact CD1-CB 4.2Å; F87-F167 AromaticContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CD2 3.67Å; F87-F167 HydrophobicContact CD1-CE2 4.19Å; F87-F167 AromaticContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CD1-CG 3.92Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-F167 HydrophobicContact CE1-CD1 4.06Å; F87-F167 AromaticContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CD2 3.89Å; F87-F167 HydrophobicContact CE1-CE2 4.41Å; F87-F167 AromaticContact CE1-CG 3.69Å; F87-F167 HydrophobicContact CE1-CG 3.69Å; V142-F167 HydrophobicContact CG1-CB 3.95Å; V143-F167 PolarHBondContact O-N 2.9Å; L144-F167 CarbonylContact C-O 3.59Å; L144-F167 WeakPolarHBondContact CA-O 3.38Å; L144-F167 HydrophobicContact CD2-CB 4.28Å; L144-F167 HydrophobicContact CD2-CD1 3.73Å; L144-F167 HydrophobicContact CD2-CG 4.47Å; V145-F167 PolarHBondContact N-O 3.28Å; K151-F167 VanDerWaalsContact O-CD2 3.3Å; K151-F167 WeakPolarHBondContact O-CD2 3.39Å; F167-T169 HydrophobicContact CD1-CG2 4.24Å; F167-T169 HydrophobicContact CE1-CG2 4.07Å
168E98.4Very high96.7Very high36 Ų3645.8 Ų45.817%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-88.3138.5177.1-87.1-175.1-161.700110.4V145 S147 S149 S150 K151 V153V145-E168 HydrophobicContact CB-CG 4.22Å; V145-E168 HydrophobicContact CG1-CG 4.4Å; V145-E168 CarbonylContact O-C 3.54Å; V145-E168 VanDerWaalsContact O-CA 3.26Å; V145-E168 WeakPolarHBondContact O-CA 3.41Å; S147-E168 WeakPolarHBondContact CB-OE2 3.42Å; S147-E168 PolarHBondContact OG-OE2 3.06Å; S149-E168 CarbonylContact O-C 3.5Å; S150-E168 CarbonylContact C-O 3.56Å; S150-E168 WeakPolarHBondContact CA-O 3.37Å; K151-E168 WeakPolarHBondContact CE-OE2 3.41Å; K151-E168 HydrophobicContact CG-CB 4.14Å; K151-E168 PolarHBondContact N-O 2.89Å; K151-E168 IonicContact NZ-OE2 2.62Å; K151-E168 PolarHBondContact NZ-OE2 2.85Å; K151-E168 PolarHBondContact O-N 3.29Å; V153-E168 HydrophobicContact CG2-CB 3.83Å; V153-E168 VanDerWaalsContact CG2-CD 3.48Å; V153-E168 HydrophobicContact CG2-CG 3.65Å
169T98.1Very high96.7Very high0 Ų044.2 Ų44.20%025%0.252CS..EExtended strand (participates in β ladder)trans-158.9143.9173.9-176.20000112.6V145 S147 S150 F167 L171 V172V145-T169 PolarHBondContact O-N 3.23Å; S147-T169 PolarHBondContact N-O 2.88Å; S147-T169 CarbonylContact O-C 3.5Å; S150-T169 PolarHBondContact OG-OG1 3.22Å; F167-T169 HydrophobicContact CD1-CG2 4.24Å; F167-T169 HydrophobicContact CE1-CG2 4.07Å; T169-L171 HydrophobicContact CG2-CB 4.23Å; T169-L171 PolarHBondContact O-N 3.21Å; T169-L171 WeakPolarHBondContact OG1-CG 3.48Å; T169-L171 PolarHBondContact OG1-N 2.75Å; T169-V172 HydrophobicContact CG2-CB 4.43Å; T169-V172 HydrophobicContact CG2-CG1 3.92Å; T169-V172 HydrophobicContact CG2-CG2 3.86Å
170P97.8Very high96.8Very high59 Ų5941.7 Ų41.738%0.38323%0.234SC..G310 helixtrans-68.2-15174.927.2-35.8000113.2S147 V172 C173S147-P170 WeakPolarHBondContact O-CA 3.48Å; S147-P170 VanDerWaalsContact O-CB 3.27Å; S147-P170 WeakPolarHBondContact O-CB 3.24Å; S147-P170 WeakPolarHBondContact O-CD 3.44Å; P170-V172 PolarHBondContact O-N 3.43Å; P170-C173 WeakPolarHBondContact O-CB 3.39Å; P170-C173 PolarHBondContact O-N 3.2Å
171L97.1Very high97Very high31 Ų3140.2 Ų40.216%0.16222%0.217CC..G310 helixtrans-70.5-18.7-174.9-60.7179.9000113.2H67 L68 R70 L71 T169H67-L171 PolarHBondContact CD2-O 2.89Å; H67-L171 PolarHBondContact NE2-O 3.41Å; L68-L171 HydrophobicContact CD2-CB 3.71Å; L68-L171 HydrophobicContact CD2-CD1 4.16Å; R70-L171 HydrophobicContact CG-CD1 3.75Å; L71-L171 HydrophobicContact CD1-CD1 3.94Å; L71-L171 HydrophobicContact CD2-CD1 3.87Å; L71-L171 HydrophobicContact CG-CD1 3.72Å; T169-L171 HydrophobicContact CG2-CB 4.23Å; T169-L171 PolarHBondContact O-N 3.21Å; T169-L171 WeakPolarHBondContact OG1-CG 3.48Å; T169-L171 PolarHBondContact OG1-N 2.75Å
172V97.3Very high97Very high13 Ų1343.7 Ų43.78%0.07924%0.239CC..G310 helixtrans-107.815-179.5-55.60000113.6L68 L144 V145 C146 T169 P170 S177 L178L68-V172 HydrophobicContact CD2-CG1 3.97Å; L144-V172 HydrophobicContact CB-CG1 4.03Å; L144-V172 HydrophobicContact CB-CG2 4.24Å; L144-V172 HydrophobicContact CD1-CG1 4.07Å; V145-V172 VanDerWaalsContact C-CG2 3.48Å; C146-V172 HydrophobicContact CB-CG2 4.47Å; T169-V172 HydrophobicContact CG2-CB 4.43Å; T169-V172 HydrophobicContact CG2-CG1 3.92Å; T169-V172 HydrophobicContact CG2-CG2 3.86Å; P170-V172 PolarHBondContact O-N 3.43Å; V172-S177 VanDerWaalsContact CA-OG 3.28Å; V172-S177 WeakPolarHBondContact CA-OG 3.19Å; V172-S177 PolarHBondContact O-OG 3.48Å; V172-L178 HydrophobicContact CB-CD1 4.25Å; V172-L178 HydrophobicContact CB-CD2 4.37Å; V172-L178 HydrophobicContact CB-CG 4.35Å; V172-L178 HydrophobicContact CG1-CD1 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.84Å; V172-L178 HydrophobicContact CG1-CG 4.36Å
173C96.9Very high96.9Very high54 Ų5443.9 Ų43.937%0.36524%0.242SC..  trans-80.4-23-177.1-71.10000114.5C146 P170C146-C173 WeakPolarHBondContact CA-SG 3.15Å; C146-C173 HydrophobicContact CB-CB 3.92Å; C146-C173 WeakPolarHBondContact CB-SG 3.4Å; C146-C173 WeakPolarHBondContact SG-CA 3.39Å; C146-C173 WeakPolarHBondContact SG-CB 3.26Å; C146-C173 CovalentContact SG-SG 2.03Å; C146-C173 PolarHBondContact SG-SG 3.41Å; P170-C173 WeakPolarHBondContact O-CB 3.39Å; P170-C173 PolarHBondContact O-N 3.2Å
174H96.1Very high96.8Very high115 Ų11544 Ų4453%0.53224%0.244SC..SBendtrans-75.6136.2178.4-170.4-87.9000109.4H176 S177H174-H176 AromaticContact CE1-CG 3.91Å; H174-H176 AromaticContact CE1-ND1 4Å; H174-H176 PolarHBondContact ND1-N 3.38Å; H174-H176 VanDerWaalsContact ND1-N 3.18Å; H174-H176 PolarHBondContact O-N 3.29Å; H174-S177 WeakPolarHBondContact O-CB 3.42Å; H174-S177 PolarHBondContact O-N 3.43Å; H174-S177 PolarHBondContact O-OG 3.49Å
175P93.3Very high96.8Very high106 Ų10646.8 Ų46.869%0.68826%0.256SS*.THydrogen-bonded Turntrans-57.1-26.7-176.422.2-34.9000113.5
176H94.4Very high96.7Very high122 Ų12254.8 Ų54.857%0.56529%0.293SS*.THydrogen-bonded Turntrans-98.65.6-179.5-54170.6000114.2H174 L178 L179H174-H176 AromaticContact CE1-CG 3.91Å; H174-H176 AromaticContact CE1-ND1 4Å; H174-H176 PolarHBondContact ND1-N 3.38Å; H174-H176 VanDerWaalsContact ND1-N 3.18Å; H174-H176 PolarHBondContact O-N 3.29Å; H176-L178 VanDerWaalsContact C-N 3.25Å; H176-L178 PolarHBondContact O-N 3.38Å; H176-L179 HydrophobicContact CB-CD1 3.71Å; H176-L179 HydrophobicContact CB-CG 4.22Å
177S95.3Very high96.7Very high14 Ų1460 Ų6010%0.09831%0.313CS..THydrogen-bonded Turntrans-67.5-26.5-176.958.90000113H67 V172 H174H67-S177 PolarHBondContact CE1-O 3.02Å; V172-S177 VanDerWaalsContact CA-OG 3.28Å; V172-S177 WeakPolarHBondContact CA-OG 3.19Å; V172-S177 PolarHBondContact O-OG 3.48Å; H174-S177 WeakPolarHBondContact O-CB 3.42Å; H174-S177 PolarHBondContact O-N 3.43Å; H174-S177 PolarHBondContact O-OG 3.49Å
178L96.7Very high96.7Very high37 Ų3760.4 Ų60.419%0.19432%0.315CS..THydrogen-bonded Turntrans-10814.9-175.6-62.7177000113.1T121 F122 L144 V172 H176T121-L178 CarbonylContact C-O 3.57Å; T121-L178 VanDerWaalsContact CA-O 3.24Å; T121-L178 WeakPolarHBondContact CA-O 3.49Å; F122-L178 HydrophobicContact CB-CB 4.26Å; F122-L178 HydrophobicContact CB-CD2 4.17Å; F122-L178 WeakPolarHBondContact CD2-O 3.38Å; F122-L178 PolarHBondContact N-O 2.88Å; L144-L178 HydrophobicContact CD1-CD2 4.44Å; V172-L178 HydrophobicContact CB-CD1 4.25Å; V172-L178 HydrophobicContact CB-CD2 4.37Å; V172-L178 HydrophobicContact CB-CG 4.35Å; V172-L178 HydrophobicContact CG1-CD1 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.84Å; V172-L178 HydrophobicContact CG1-CG 4.36Å; H176-L178 VanDerWaalsContact C-N 3.25Å; H176-L178 PolarHBondContact O-N 3.38Å
179L97Very high96.7Very high58 Ų5860.8 Ų60.830%0.30432%0.317SS..BIsolated β-bridgetrans-72.3138.2173.2-61-178.9000110.2T121 H176 P182 T183T121-L179 HydrophobicContact CG2-CD2 3.82Å; H176-L179 HydrophobicContact CB-CD1 3.71Å; H176-L179 HydrophobicContact CB-CG 4.22Å; L179-P182 HydrophobicContact CB-CG 4Å; L179-P182 HydrophobicContact CD1-CG 4.48Å; L179-T183 WeakPolarHBondContact O-CG2 3.28Å
180V97.3Very high96.7Very high0 Ų066.9 Ų66.90%034%0.344CS..SBendtrans-77.9-46.6-179.9-178.70000111.5I117 N120 F122 T183 L184 W192 F217 L222I117-V180 HydrophobicContact CD1-CG1 4.35Å; I117-V180 HydrophobicContact CD1-CG2 4.07Å; I117-V180 HydrophobicContact CG1-CG2 4.1Å; I117-V180 HydrophobicContact CG2-CG2 3.8Å; N120-V180 WeakPolarHBondContact O-CG2 3.29Å; N120-V180 PolarHBondContact O-N 3.1Å; F122-V180 HydrophobicContact CD1-CG2 4.25Å; F122-V180 HydrophobicContact CD2-CG2 4.01Å; F122-V180 HydrophobicContact CE1-CG2 4.07Å; F122-V180 HydrophobicContact CE2-CB 4.2Å; F122-V180 HydrophobicContact CE2-CG2 3.79Å; F122-V180 HydrophobicContact CG-CG2 4.23Å; F122-V180 HydrophobicContact CZ-CB 4.26Å; F122-V180 HydrophobicContact CZ-CG1 4.12Å; F122-V180 HydrophobicContact CZ-CG2 3.83Å; V180-T183 WeakPolarHBondContact O-CB 3.36Å; V180-T183 PolarHBondContact O-N 3.37Å; V180-T183 PolarHBondContact O-OG1 3.13Å; V180-L184 HydrophobicContact CG1-CD2 4.48Å; V180-W192 HydrophobicContact CB-CH2 4.2Å; V180-W192 HydrophobicContact CB-CZ3 4.09Å; V180-W192 HydrophobicContact CG1-CH2 4.4Å; V180-W192 HydrophobicContact CG1-CZ3 3.86Å; V180-F217 HydrophobicContact CG1-CD1 4.09Å; V180-F217 HydrophobicContact CG1-CE1 3.77Å; V180-F217 HydrophobicContact CG1-CZ 4.25Å; V180-L222 HydrophobicContact CG1-CD1 3.69Å
181Y97.1Very high96.7Very high80 Ų8066.5 Ų66.531%0.31434%0.337SS..G310 helixtrans-50-46.9-174.2-177.4-87.5000114.3T183 L184 Q189 W192 D193Y181-T183 PolarHBondContact O-N 2.98Å; Y181-T183 VanDerWaalsContact O-N 3.16Å; Y181-L184 WeakPolarHBondContact O-CB 3.47Å; Y181-L184 PolarHBondContact O-N 2.81Å; Y181-Q189 HydrophobicContact CE1-CG 4.2Å; Y181-Q189 HydrophobicContact CE2-CB 4.15Å; Y181-Q189 HydrophobicContact CE2-CG 4.21Å; Y181-Q189 PolarHBondContact O-NE2 3.44Å; Y181-W192 HydrophobicContact CD2-CB 4.4Å; Y181-W192 AromaticContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CE3 4.08Å; Y181-W192 HydrophobicContact CD2-CG 4Å; Y181-W192 HydrophobicContact CE2-CB 4.34Å; Y181-W192 HydrophobicContact CE2-CG 4.27Å; Y181-D193 WeakPolarHBondContact CE2-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD2 3.18Å; Y181-D193 VanDerWaalsContact OH-OD2 3.05Å
182P96.1Very high96.7Very high79 Ų7965.5 Ų65.551%0.51333%0.331SS..G310 helixtrans-69.4-12.7179.5-19.134.2000114.7L179L179-P182 HydrophobicContact CB-CG 4Å; L179-P182 HydrophobicContact CD1-CG 4.48Å
183T94.9Very high96.8Very high44 Ų4468.5 Ų68.527%0.2735%0.347SS..G310 helixtrans-87.8-14178.567.90000113.1P65 F122 L179 V180 Y181P65-T183 HydrophobicContact CB-CG2 3.92Å; P65-T183 HydrophobicContact CG-CG2 3.96Å; F122-T183 HydrophobicContact CE2-CG2 3.8Å; F122-T183 HydrophobicContact CZ-CG2 4.41Å; L179-T183 WeakPolarHBondContact O-CG2 3.28Å; V180-T183 WeakPolarHBondContact O-CB 3.36Å; V180-T183 PolarHBondContact O-N 3.37Å; V180-T183 PolarHBondContact O-OG1 3.13Å; Y181-T183 PolarHBondContact O-N 2.98Å; Y181-T183 VanDerWaalsContact O-N 3.16Å
184L96.7Very high96.8Very high13 Ų1371.2 Ų71.27%0.06835%0.354CS..SBendtrans-78.5154.3178.4-59.2-179.5000111.1V180 Y181 L188 Q189 W192 V216 A220 L222V180-L184 HydrophobicContact CG1-CD2 4.48Å; Y181-L184 WeakPolarHBondContact O-CB 3.47Å; Y181-L184 PolarHBondContact O-N 2.81Å; L184-L188 HydrophobicContact CB-CB 4.08Å; L184-L188 HydrophobicContact CD1-CB 4.43Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; L184-Q189 HydrophobicContact CB-CG 3.85Å; L184-Q189 PolarHBondContact O-NE2 3.26Å; L184-W192 HydrophobicContact CD1-CE3 3.39Å; L184-W192 HydrophobicContact CD1-CZ3 3.79Å; L184-V216 HydrophobicContact CD1-CG1 3.99Å; L184-A220 HydrophobicContact CD2-CB 3.5Å; L184-A220 VanDerWaalsContact CD2-CB 3.5Å; L184-L222 HydrophobicContact CD2-CD1 3.98Å
185N96.6Very high96.9Very high90 Ų9066.5 Ų66.548%0.48133%0.333SS..  trans-75.216617167.431.9000110.9K187 L188 Q189N185-K187 PolarHBondContact O-N 2.93Å; N185-K187 PolarHBondContact OD1-N 3.27Å; N185-L188 PolarHBondContact O-N 2.87Å; N185-L188 VanDerWaalsContact O-N 3.16Å; N185-L188 WeakPolarHBondContact OD1-CB 3.43Å; N185-L188 VanDerWaalsContact OD1-CG 3.24Å; N185-L188 WeakPolarHBondContact OD1-CG 3.49Å; N185-L188 PolarHBondContact OD1-N 2.85Å; N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 3.42Å
186E97.3Very high97.1Very high168 Ų16864.3 Ų64.379%0.78531%0.314SS*.Hα-helixtrans-56.3-36.4-176.5-64.3-179.8174.700113.2K190E186-K190 PolarHBondContact O-N 3.05Å
187K97.9Very high97.2Very high140 Ų14063.2 Ų63.261%0.60931%0.309SS*.Hα-helixtrans-63.9-50.9178.6-174-168.1175.1-1430111.1N185 Q189 K190 E191N185-K187 PolarHBondContact O-N 2.93Å; N185-K187 PolarHBondContact OD1-N 3.27Å; K187-Q189 VanDerWaalsContact C-N 3.34Å; K187-K190 WeakPolarHBondContact O-CB 3.31Å; K187-K190 PolarHBondContact O-N 3.03Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 IonicContact NZ-OE1 3.05Å; K187-E191 PolarHBondContact NZ-OE1 2.85Å; K187-E191 PolarHBondContact O-N 2.86Å
188L97.8Very high97.3Very high9 Ų963.6 Ų63.65%0.04731%0.313CS..Hα-helixtrans-70.5-31.1-178.5-67.5171.8000112L184 N185 E191 W192 V216 D219 A220L184-L188 HydrophobicContact CB-CB 4.08Å; L184-L188 HydrophobicContact CD1-CB 4.43Å; L184-L188 HydrophobicContact CD2-CD1 4.44Å; N185-L188 PolarHBondContact O-N 2.87Å; N185-L188 VanDerWaalsContact O-N 3.16Å; N185-L188 WeakPolarHBondContact OD1-CB 3.43Å; N185-L188 VanDerWaalsContact OD1-CG 3.24Å; N185-L188 WeakPolarHBondContact OD1-CG 3.49Å; N185-L188 PolarHBondContact OD1-N 2.85Å; L188-E191 PolarHBondContact O-N 2.98Å; L188-W192 WeakPolarHBondContact O-CB 3.23Å; L188-W192 PolarHBondContact O-N 2.91Å; L188-V216 HydrophobicContact CB-CG1 4.19Å; L188-V216 HydrophobicContact CD2-CG1 4.24Å; L188-D219 HydrophobicContact CD2-CB 3.95Å; L188-A220 HydrophobicContact CD1-CB 3.8Å
189Q98.2Very high97.3Very high44 Ų4466.5 Ų66.521%0.20632%0.321CS..Hα-helixtrans-62.4-45.3170.4-74.9178-10.600111.1Y181 L184 N185 K187 E191 W192 D193Y181-Q189 HydrophobicContact CE1-CG 4.2Å; Y181-Q189 HydrophobicContact CE2-CB 4.15Å; Y181-Q189 HydrophobicContact CE2-CG 4.21Å; Y181-Q189 PolarHBondContact O-NE2 3.44Å; L184-Q189 HydrophobicContact CB-CG 3.85Å; L184-Q189 PolarHBondContact O-NE2 3.26Å; N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 3.42Å; K187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-E191 PolarHBondContact O-N 2.98Å; Q189-W192 WeakPolarHBondContact O-CB 3.24Å; Q189-W192 PolarHBondContact O-N 3.1Å; Q189-D193 PolarHBondContact O-N 2.92Å
190K98.3Very high97.3Very high128 Ų12873 Ų7356%0.55734%0.343SS*.Hα-helixtrans-62.6-43.3176.5-170.4-172.8175.1-1630112E186 K187 W192 D193 E194E186-K190 PolarHBondContact O-N 3.05Å; K187-K190 WeakPolarHBondContact O-CB 3.31Å; K187-K190 PolarHBondContact O-N 3.03Å; K190-W192 VanDerWaalsContact C-N 3.31Å; K190-W192 PolarHBondContact O-N 3.48Å; K190-D193 PolarHBondContact O-N 3.24Å; K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.4Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.95Å
191E98.1Very high97.4Very high52 Ų5277 Ų7724%0.24337%0.365CS..Hα-helixtrans-60.9-40.8175.3-71.9173.7-168.900111.3K187 L188 Q189 E194 V195 V216K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 IonicContact NZ-OE1 3.05Å; K187-E191 PolarHBondContact NZ-OE1 2.85Å; K187-E191 PolarHBondContact O-N 2.86Å; L188-E191 PolarHBondContact O-N 2.98Å; Q189-E191 PolarHBondContact O-N 2.98Å; E191-E194 PolarHBondContact O-N 2.99Å; E191-V195 VanDerWaalsContact O-CG2 3.29Å; E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 2.85Å; E191-V195 VanDerWaalsContact O-N 3.13Å; E191-V216 HydrophobicContact CB-CG2 4.3Å
192W98.1Very high97.3Very high10 Ų1076.1 Ų76.14%0.03838%0.38CS..Hα-helixtrans-59.6-50.4171.4-172.5-46000111.4N120 V180 Y181 L184 L188 Q189 K190 E194 V195 E196 L213 F217N120-W192 HydrophobicContact CB-CH2 3.75Å; N120-W192 HydrophobicContact CB-CZ2 3.81Å; V180-W192 HydrophobicContact CB-CH2 4.2Å; V180-W192 HydrophobicContact CB-CZ3 4.09Å; V180-W192 HydrophobicContact CG1-CH2 4.4Å; V180-W192 HydrophobicContact CG1-CZ3 3.86Å; Y181-W192 HydrophobicContact CD2-CB 4.4Å; Y181-W192 AromaticContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CD2 3.89Å; Y181-W192 HydrophobicContact CD2-CE3 4.08Å; Y181-W192 HydrophobicContact CD2-CG 4Å; Y181-W192 HydrophobicContact CE2-CB 4.34Å; Y181-W192 HydrophobicContact CE2-CG 4.27Å; L184-W192 HydrophobicContact CD1-CE3 3.39Å; L184-W192 HydrophobicContact CD1-CZ3 3.79Å; L188-W192 WeakPolarHBondContact O-CB 3.23Å; L188-W192 PolarHBondContact O-N 2.91Å; Q189-W192 WeakPolarHBondContact O-CB 3.24Å; Q189-W192 PolarHBondContact O-N 3.1Å; K190-W192 VanDerWaalsContact C-N 3.31Å; K190-W192 PolarHBondContact O-N 3.48Å; W192-E194 PolarHBondContact O-N 3.38Å; W192-V195 WeakPolarHBondContact O-CA 3.42Å; W192-V195 WeakPolarHBondContact O-CB 3.4Å; W192-V195 PolarHBondContact O-N 2.81Å; W192-E196 VanDerWaalsContact NE1-CG 3.31Å; W192-E196 PolarHBondContact NE1-OE1 3.49Å; W192-E196 PolarHBondContact O-N 2.75Å; W192-L213 HydrophobicContact CB-CD2 4.39Å; W192-L213 HydrophobicContact CD2-CD2 3.55Å; W192-L213 HydrophobicContact CE3-CD2 4.09Å; W192-L213 HydrophobicContact CG-CD2 3.71Å; W192-L213 HydrophobicContact CZ2-CD1 4.17Å; W192-L213 HydrophobicContact CZ2-CD2 4.32Å; W192-F217 AromaticContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CZ 4.35Å; W192-F217 AromaticContact CH2-CE1 3.84Å; W192-F217 HydrophobicContact CH2-CE1 3.84Å; W192-F217 AromaticContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CZ3-CD1 4.44Å; W192-F217 AromaticContact CZ3-CE1 3.25Å; W192-F217 HydrophobicContact CZ3-CE1 3.25Å; W192-F217 AromaticContact CZ3-CZ 3.64Å; W192-F217 HydrophobicContact CZ3-CZ 3.64Å
193D98.3Very high97.4Very high76 Ų7678.7 Ų78.741%0.40639%0.388SS..Hα-helixtrans-57.5-39.8-178.1-66.8-23.7000111.5Y181 Q189 K190 E196 Q197Y181-D193 WeakPolarHBondContact CE2-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD1 2.95Å; Y181-D193 PolarHBondContact OH-OD2 3.18Å; Y181-D193 VanDerWaalsContact OH-OD2 3.05Å; Q189-D193 PolarHBondContact O-N 2.92Å; K190-D193 PolarHBondContact O-N 3.24Å; D193-E196 PolarHBondContact O-N 2.97Å; D193-Q197 VanDerWaalsContact O-CB 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.29Å; D193-Q197 PolarHBondContact O-N 2.97Å
194E97.8Very high97.5Very high110 Ų11078.7 Ų78.751%0.51439%0.387SS..Hα-helixtrans-63.2-40.4174.3-71.6174.1-171.300112K190 E191 W192 Q197 A198K190-E194 VanDerWaalsContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact CE-OE1 3.4Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 WeakPolarHBondContact O-CG 3.08Å; K190-E194 PolarHBondContact O-N 2.95Å; E191-E194 PolarHBondContact O-N 2.99Å; W192-E194 PolarHBondContact O-N 3.38Å; E194-Q197 PolarHBondContact O-N 3.19Å; E194-A198 VanDerWaalsContact O-CB 3.32Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.79Å
195V97.7Very high97.5Very high16 Ų1682.7 Ų82.710%0.09741%0.411CS..Hα-helixtrans-66.7-42.8176.5170.90000111.6E191 W192 A198 R199 I204 Y209 L212 L213E191-V195 VanDerWaalsContact O-CG2 3.29Å; E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 2.85Å; E191-V195 VanDerWaalsContact O-N 3.13Å; W192-V195 WeakPolarHBondContact O-CA 3.42Å; W192-V195 WeakPolarHBondContact O-CB 3.4Å; W192-V195 PolarHBondContact O-N 2.81Å; V195-A198 PolarHBondContact O-N 3.32Å; V195-R199 PolarHBondContact O-N 3.44Å; V195-I204 HydrophobicContact CG1-CD1 4.16Å; V195-Y209 HydrophobicContact CG1-CD2 3.62Å; V195-Y209 HydrophobicContact CG1-CE2 4.11Å; V195-L212 HydrophobicContact CG1-CB 3.95Å; V195-L212 HydrophobicContact CG1-CD1 4.37Å; V195-L212 HydrophobicContact CG2-CB 3.76Å; V195-L212 HydrophobicContact CG2-CD1 4.11Å; V195-L212 HydrophobicContact CG2-CG 4.48Å; V195-L213 HydrophobicContact CG1-CD2 4.28Å; V195-L213 HydrophobicContact CG1-CG 4.24Å
196E96.8Very high97.4Very high61 Ų6184.6 Ų84.629%0.28542%0.417SS..Hα-helixtrans-63.2-45174.9-72.1-71.7173.700111.4W192 D193 A198 R199 Y200 Y209W192-E196 VanDerWaalsContact NE1-CG 3.31Å; W192-E196 PolarHBondContact NE1-OE1 3.49Å; W192-E196 PolarHBondContact O-N 2.75Å; D193-E196 PolarHBondContact O-N 2.97Å; E196-A198 PolarHBondContact O-N 2.88Å; E196-R199 WeakPolarHBondContact O-CB 3.43Å; E196-R199 PolarHBondContact O-N 3.31Å; E196-Y200 WeakPolarHBondContact O-CB 3.35Å; E196-Y200 PolarHBondContact O-N 2.9Å; E196-Y209 VanDerWaalsContact CD-CE2 3.46Å; E196-Y209 HydrophobicContact CG-CE2 4.3Å; E196-Y209 VanDerWaalsContact OE1-CE2 3.3Å; E196-Y209 WeakPolarHBondContact OE1-CE2 3.4Å; E196-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E196-Y209 PolarHBondContact OE1-OH 3.44Å
197Q97.9Very high97.3Very high99 Ų9984.2 Ų84.246%0.46342%0.416SS..Hα-helixtrans-61.5-45177.3-174.560.640.100111.1D193 E194 R199 Y200 D201D193-Q197 VanDerWaalsContact O-CB 3.3Å; D193-Q197 WeakPolarHBondContact O-CB 3.29Å; D193-Q197 PolarHBondContact O-N 2.97Å; E194-Q197 PolarHBondContact O-N 3.19Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.85Å; Q197-Y200 PolarHBondContact O-N 3.28Å; Q197-D201 VanDerWaalsContact NE2-CG 3.26Å; Q197-D201 PolarHBondContact NE2-OD1 2.02Å; Q197-D201 PolarHBondContact NE2-OD2 3.41Å; Q197-D201 WeakPolarHBondContact O-CB 3.06Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 2.87Å
198A97.6Very high97.2Very high22 Ų2278.6 Ų78.618%0.18240%0.398CS..Hα-helixtrans-61.5-35.8176.800000112.6E194 V195 E196 G202 L203 I204E194-A198 VanDerWaalsContact O-CB 3.32Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 2.79Å; V195-A198 PolarHBondContact O-N 3.32Å; E196-A198 PolarHBondContact O-N 2.88Å; A198-G202 PolarHBondContact O-N 3.26Å; A198-L203 HydrophobicContact CB-CB 4.42Å; A198-L203 WeakPolarHBondContact O-CB 3.47Å; A198-L203 PolarHBondContact O-N 3.29Å; A198-I204 HydrophobicContact CB-CD1 4.07Å; A198-I204 HydrophobicContact CB-CG1 4.19Å; A198-I204 HydrophobicContact CB-CG2 4.3Å; A198-I204 PolarHBondContact O-N 2.78Å
199R96.9Very high97.1Very high97 Ų9778.7 Ų78.737%0.36640%0.398SS..Hα-helixtrans-67.9-45.4173.8-176.3-176-179.4179.24111.2V195 E196 Q197 D201 G202 I204 Y209V195-R199 PolarHBondContact O-N 3.44Å; E196-R199 WeakPolarHBondContact O-CB 3.43Å; E196-R199 PolarHBondContact O-N 3.31Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.85Å; R199-D201 VanDerWaalsContact C-N 3.31Å; R199-D201 PolarHBondContact O-N 3.43Å; R199-G202 PolarHBondContact O-N 3.25Å; R199-G202 VanDerWaalsContact O-N 3.08Å; R199-I204 HydrophobicContact CB-CD1 4.1Å; R199-I204 HydrophobicContact CB-CG1 3.98Å; R199-Y209 HydrophobicContact CB-CD2 4.08Å; R199-Y209 HydrophobicContact CG-CD2 4.36Å
200Y96.9Very high97Very high194 Ų19480.7 Ų80.776%0.76141%0.41SS*.Hα-helixtrans-60.4-42.2178.4178.8-93.3000111.8E196 Q197 G202E196-Y200 WeakPolarHBondContact O-CB 3.35Å; E196-Y200 PolarHBondContact O-N 2.9Å; Q197-Y200 PolarHBondContact O-N 3.28Å; Y200-G202 PolarHBondContact O-N 3.21Å
201D97.9Very high96.9Very high85 Ų8577.5 Ų77.546%0.45540%0.404SS..THydrogen-bonded Turntrans-74.3-2.8177.4-66.2-25.3000113.2Q197 R199 L203Q197-D201 VanDerWaalsContact NE2-CG 3.26Å; Q197-D201 PolarHBondContact NE2-OD1 2.02Å; Q197-D201 PolarHBondContact NE2-OD2 3.41Å; Q197-D201 WeakPolarHBondContact O-CB 3.06Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 2.87Å; R199-D201 VanDerWaalsContact C-N 3.31Å; R199-D201 PolarHBondContact O-N 3.43Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 HydrophobicContact CB-CD1 4.21Å; D201-L203 HydrophobicContact CB-CG 3.97Å; D201-L203 PolarHBondContact O-N 2.04Å
202G96.5Very high96.8Very high61 Ų6178.5 Ų78.563%0.62941%0.41SS*.THydrogen-bonded Turntrans71.118.5179.100000114.2A198 R199 Y200 I204A198-G202 PolarHBondContact O-N 3.26Å; R199-G202 PolarHBondContact O-N 3.25Å; R199-G202 VanDerWaalsContact O-N 3.08Å; Y200-G202 PolarHBondContact O-N 3.21Å; G202-I204 VanDerWaalsContact C-N 3.34Å
203L96.8Very high96.7Very high133 Ų13378.3 Ų78.370%0.69641%0.41SS*.SBendtrans-77.8-22.5179.7-59178.5000112.4A198 D201A198-L203 HydrophobicContact CB-CB 4.42Å; A198-L203 WeakPolarHBondContact O-CB 3.47Å; A198-L203 PolarHBondContact O-N 3.29Å; D201-L203 VanDerWaalsContact C-N 3.26Å; D201-L203 HydrophobicContact CB-CD1 4.21Å; D201-L203 HydrophobicContact CB-CG 3.97Å; D201-L203 PolarHBondContact O-N 2.04Å
204I96.9Very high96.5Very high45 Ų4578.9 Ų78.923%0.23141%0.406CS..SBendtrans-128.3151.6179.463.7175.5000111.8V195 A198 R199 G202 L212V195-I204 HydrophobicContact CG1-CD1 4.16Å; A198-I204 HydrophobicContact CB-CD1 4.07Å; A198-I204 HydrophobicContact CB-CG1 4.19Å; A198-I204 HydrophobicContact CB-CG2 4.3Å; A198-I204 PolarHBondContact O-N 2.78Å; R199-I204 HydrophobicContact CB-CD1 4.1Å; R199-I204 HydrophobicContact CB-CG1 3.98Å; G202-I204 VanDerWaalsContact C-N 3.34Å; I204-L212 HydrophobicContact CD1-CD1 4.04Å
205T96.9Very high96.4Very high96 Ų9675.9 Ų75.959%0.58939%0.394SS*.  trans-80.9166.8173.864.30000111.1Q207 G208 Y209T205-Q207 PolarHBondContact O-N 2.8Å; T205-G208 WeakPolarHBondContact O-CA 3.14Å; T205-G208 PolarHBondContact O-N 2.79Å; T205-G208 PolarHBondContact OG1-N 3.06Å; T205-Y209 PolarHBondContact O-N 2.98Å
206E95.4Very high96.4Very high130 Ų13075.4 Ų75.461%0.60739%0.391SS*.Hα-helixtrans-57.7-38.1173.6-175.7175.4-168.700112.4Y209 N210E206-Y209 PolarHBondContact O-N 3.2Å; E206-N210 WeakPolarHBondContact O-CB 3.35Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.93Å; E206-N210 PolarHBondContact O-ND2 3.38Å
207Q95.3Very high96.4Very high160 Ų16073.1 Ų73.175%0.74838%0.38SS*.Hα-helixtrans-64.6-42.2174.1-173.9-179.11.100111.7T205 N210 S211T205-Q207 PolarHBondContact O-N 2.8Å; Q207-N210 PolarHBondContact O-N 2.87Å; Q207-S211 WeakPolarHBondContact O-CB 3.36Å; Q207-S211 PolarHBondContact O-N 3.32Å
208G95.4Very high96.3Very high23 Ų2369.1 Ų69.124%0.23736%0.362CS..Hα-helixtrans-62-46175.700000111.9T205 N210 S211 L212T205-G208 WeakPolarHBondContact O-CA 3.14Å; T205-G208 PolarHBondContact O-N 2.79Å; T205-G208 PolarHBondContact OG1-N 3.06Å; G208-N210 PolarHBondContact O-N 2.81Å; G208-S211 PolarHBondContact O-N 3.38Å; G208-L212 WeakPolarHBondContact O-CG 3.29Å; G208-L212 PolarHBondContact O-N 2.81Å
209Y96.1Very high96.2Very high10 Ų1073.5 Ų73.54%0.03938%0.382CS..Hα-helixtrans-56.1-51.3174.5169.7-97.6000112.1V195 E196 R199 T205 E206 S211 L212 L213V195-Y209 HydrophobicContact CG1-CD2 3.62Å; V195-Y209 HydrophobicContact CG1-CE2 4.11Å; E196-Y209 VanDerWaalsContact CD-CE2 3.46Å; E196-Y209 HydrophobicContact CG-CE2 4.3Å; E196-Y209 VanDerWaalsContact OE1-CE2 3.3Å; E196-Y209 WeakPolarHBondContact OE1-CE2 3.4Å; E196-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E196-Y209 PolarHBondContact OE1-OH 3.44Å; R199-Y209 HydrophobicContact CB-CD2 4.08Å; R199-Y209 HydrophobicContact CG-CD2 4.36Å; T205-Y209 PolarHBondContact O-N 2.98Å; E206-Y209 PolarHBondContact O-N 3.2Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.09Å; Y209-L212 PolarHBondContact O-N 3.02Å; Y209-L213 HydrophobicContact CD1-CD1 4.33Å; Y209-L213 HydrophobicContact CD2-CD1 4.4Å; Y209-L213 HydrophobicContact CD2-CG 4.46Å; Y209-L213 HydrophobicContact CE1-CD1 3.58Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CD1 3.67Å; Y209-L213 HydrophobicContact CE2-CG 4.07Å; Y209-L213 PolarHBondContact O-N 2.92Å; Y209-L213 VanDerWaalsContact OH-CD1 3.3Å; Y209-L213 WeakPolarHBondContact OH-CD1 2.91Å
210N95.2Very high96.1Very high87 Ų8770.2 Ų70.247%0.46538%0.375SS..Hα-helixtrans-62.4-36.7179.6-71-26000112.1E206 Q207 G208 R214E206-N210 WeakPolarHBondContact O-CB 3.35Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.93Å; E206-N210 PolarHBondContact O-ND2 3.38Å; Q207-N210 PolarHBondContact O-N 2.87Å; G208-N210 PolarHBondContact O-N 2.81Å; N210-R214 VanDerWaalsContact O-CB 3.29Å; N210-R214 WeakPolarHBondContact O-CB 3.28Å; N210-R214 PolarHBondContact O-N 2.89Å
211S95.4Very high96Very high61 Ų6162.8 Ų62.843%0.42736%0.358SS..Hα-helixtrans-67.1-47.3176.6-169.10000112Q207 G208 Y209 R214 D215Q207-S211 WeakPolarHBondContact O-CB 3.36Å; Q207-S211 PolarHBondContact O-N 3.32Å; G208-S211 PolarHBondContact O-N 3.38Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 3.09Å; S211-R214 WeakPolarHBondContact O-CB 3.38Å; S211-R214 PolarHBondContact O-N 3.45Å; S211-D215 PolarHBondContact O-N 2.84Å; S211-D215 VanDerWaalsContact O-N 3.11Å
212L96.3Very high95.9Very high73 Ų7359 Ų5938%0.38234%0.338SS..Hα-helixtrans-65.3-42.4-179.1-69169.3000111.5V195 I204 G208 Y209 R214 D215 V216V195-L212 HydrophobicContact CG1-CB 3.95Å; V195-L212 HydrophobicContact CG1-CD1 4.37Å; V195-L212 HydrophobicContact CG2-CB 3.76Å; V195-L212 HydrophobicContact CG2-CD1 4.11Å; V195-L212 HydrophobicContact CG2-CG 4.48Å; I204-L212 HydrophobicContact CD1-CD1 4.04Å; G208-L212 WeakPolarHBondContact O-CG 3.29Å; G208-L212 PolarHBondContact O-N 2.81Å; Y209-L212 PolarHBondContact O-N 3.02Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.46Å; L212-D215 PolarHBondContact O-N 3.41Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.09Å
213L95.9Very high95.8Very high5 Ų557.8 Ų57.83%0.02632%0.317CS..Hα-helixtrans-64-36.4173.7-78.7-169.3000112.8W192 V195 Y209 D215 V216 F217W192-L213 HydrophobicContact CB-CD2 4.39Å; W192-L213 HydrophobicContact CD2-CD2 3.55Å; W192-L213 HydrophobicContact CE3-CD2 4.09Å; W192-L213 HydrophobicContact CG-CD2 3.71Å; W192-L213 HydrophobicContact CZ2-CD1 4.17Å; W192-L213 HydrophobicContact CZ2-CD2 4.32Å; V195-L213 HydrophobicContact CG1-CD2 4.28Å; V195-L213 HydrophobicContact CG1-CG 4.24Å; Y209-L213 HydrophobicContact CD1-CD1 4.33Å; Y209-L213 HydrophobicContact CD2-CD1 4.4Å; Y209-L213 HydrophobicContact CD2-CG 4.46Å; Y209-L213 HydrophobicContact CE1-CD1 3.58Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CD1 3.67Å; Y209-L213 HydrophobicContact CE2-CG 4.07Å; Y209-L213 PolarHBondContact O-N 2.92Å; Y209-L213 VanDerWaalsContact OH-CD1 3.3Å; Y209-L213 WeakPolarHBondContact OH-CD1 2.91Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.02Å; L213-V216 WeakPolarHBondContact O-CB 3.47Å; L213-V216 PolarHBondContact O-N 3.23Å; L213-F217 HydrophobicContact CB-CE2 4.34Å; L213-F217 HydrophobicContact CB-CZ 4.17Å; L213-F217 HydrophobicContact CD1-CZ 4.42Å; L213-F217 WeakPolarHBondContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.11Å; L213-F217 PolarHBondContact O-N 2.86Å
214R95.4Very high95.6Very high88 Ų8855.6 Ų55.633%0.33230%0.301SS..Hα-helixtrans-60.2-40.9175.2-164.4-175.482.276.323.3110.9N210 S211 L212 F217 E218 L223N210-R214 VanDerWaalsContact O-CB 3.29Å; N210-R214 WeakPolarHBondContact O-CB 3.28Å; N210-R214 PolarHBondContact O-N 2.89Å; S211-R214 WeakPolarHBondContact O-CB 3.38Å; S211-R214 PolarHBondContact O-N 3.45Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.46Å; R214-F217 PolarHBondContact O-N 3.26Å; R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NH1-OE1 2.66Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH2-OE1 3.94Å; R214-E218 PolarHBondContact NH2-OE1 3.42Å; R214-E218 IonicContact NH2-OE2 3.85Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.42Å; R214-L223 HydrophobicContact CG-CD1 3.93Å
215D95.8Very high94.8Very high48 Ų4854.4 Ų54.426%0.25730%0.297SS..Hα-helixtrans-64.9-42.7176.5-66.7-15.5000111.3S211 L212 L213 F217 E218 D219S211-D215 PolarHBondContact O-N 2.84Å; S211-D215 VanDerWaalsContact O-N 3.11Å; L212-D215 PolarHBondContact O-N 3.41Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.02Å; D215-F217 VanDerWaalsContact C-N 3.26Å; D215-F217 PolarHBondContact O-N 3.44Å; D215-E218 PolarHBondContact O-N 2.82Å; D215-D219 PolarHBondContact O-N 2.93Å
216V96.7Very high93.4Very high6 Ų655.3 Ų55.34%0.03630%0.298CS..Hα-helixtrans-56.7-39.8172.3174.40000111.6L184 L188 E191 L212 L213 A220L184-V216 HydrophobicContact CD1-CG1 3.99Å; L188-V216 HydrophobicContact CB-CG1 4.19Å; L188-V216 HydrophobicContact CD2-CG1 4.24Å; E191-V216 HydrophobicContact CB-CG2 4.3Å; L212-V216 PolarHBondContact O-N 3.45Å; L212-V216 VanDerWaalsContact O-N 3.09Å; L213-V216 WeakPolarHBondContact O-CB 3.47Å; L213-V216 PolarHBondContact O-N 3.23Å; V216-A220 WeakPolarHBondContact O-CB 3.5Å; V216-A220 PolarHBondContact O-N 2.99Å
217F96.5Very high91.5Very high13 Ų1355.6 Ų55.66%0.05730%0.298CS..Hα-helixtrans-75-32.5179.5-58.7-16.7000113.5I117 V180 W192 L213 R214 D215 G221 L222 L223I117-F217 HydrophobicContact CB-CE2 4.47Å; I117-F217 HydrophobicContact CD1-CB 4.29Å; I117-F217 HydrophobicContact CD1-CD2 3.67Å; I117-F217 HydrophobicContact CD1-CE2 4.12Å; I117-F217 HydrophobicContact CD1-CG 3.9Å; I117-F217 HydrophobicContact CG2-CD2 4.35Å; I117-F217 HydrophobicContact CG2-CE2 3.81Å; I117-F217 HydrophobicContact CG2-CZ 4.42Å; V180-F217 HydrophobicContact CG1-CD1 4.09Å; V180-F217 HydrophobicContact CG1-CE1 3.77Å; V180-F217 HydrophobicContact CG1-CZ 4.25Å; W192-F217 AromaticContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CE1 3.75Å; W192-F217 HydrophobicContact CE3-CZ 4.35Å; W192-F217 AromaticContact CH2-CE1 3.84Å; W192-F217 HydrophobicContact CH2-CE1 3.84Å; W192-F217 AromaticContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CH2-CZ 3.7Å; W192-F217 HydrophobicContact CZ3-CD1 4.44Å; W192-F217 AromaticContact CZ3-CE1 3.25Å; W192-F217 HydrophobicContact CZ3-CE1 3.25Å; W192-F217 AromaticContact CZ3-CZ 3.64Å; W192-F217 HydrophobicContact CZ3-CZ 3.64Å; L213-F217 HydrophobicContact CB-CE2 4.34Å; L213-F217 HydrophobicContact CB-CZ 4.17Å; L213-F217 HydrophobicContact CD1-CZ 4.42Å; L213-F217 WeakPolarHBondContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.11Å; L213-F217 PolarHBondContact O-N 2.86Å; R214-F217 PolarHBondContact O-N 3.26Å; D215-F217 VanDerWaalsContact C-N 3.26Å; D215-F217 PolarHBondContact O-N 3.44Å; F217-G221 PolarHBondContact O-N 3Å; F217-L222 HydrophobicContact CB-CB 4.4Å; F217-L222 WeakPolarHBondContact O-CB 3.46Å; F217-L222 PolarHBondContact O-N 2.93Å; F217-L223 HydrophobicContact CB-CD1 3.74Å; F217-L223 HydrophobicContact CB-CG 3.81Å; F217-L223 HydrophobicContact CD2-CD1 4.1Å; F217-L223 HydrophobicContact CG-CD1 4.45Å; F217-L223 PolarHBondContact O-N 2.81Å
218E95.8Very high89.2Confident15 Ų1551.3 Ų51.37%0.0728%0.282CS..Hα-helixtrans-64.3-46.7170.3-73.8-171.7179.400110.8R214 D215 A220 G221 L223 S225R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NH1-OE1 2.66Å; R214-E218 PolarHBondContact NH1-OE1 3.42Å; R214-E218 IonicContact NH2-OE1 3.94Å; R214-E218 PolarHBondContact NH2-OE1 3.42Å; R214-E218 IonicContact NH2-OE2 3.85Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.42Å; D215-E218 PolarHBondContact O-N 2.82Å; E218-A220 VanDerWaalsContact C-N 3.26Å; E218-A220 PolarHBondContact O-N 3.04Å; E218-G221 WeakPolarHBondContact O-CA 3.37Å; E218-G221 PolarHBondContact O-N 3.4Å; E218-L223 HydrophobicContact CG-CB 4.16Å; E218-S225 VanDerWaalsContact CD-CA 3.49Å; E218-S225 VanDerWaalsContact OE2-CB 3.28Å; E218-S225 WeakPolarHBondContact OE2-CB 3.49Å; E218-S225 PolarHBondContact OE2-OG 3.41Å
219D95.2Very high86.7Confident113 Ų11354.8 Ų54.860%0.60430%0.299SS*.Hα-helixtrans-65.4-30.6179.3-74.6-6.2000112.2L188 D215 G221L188-D219 HydrophobicContact CD2-CB 3.95Å; D215-D219 PolarHBondContact O-N 2.93Å; D219-G221 PolarHBondContact O-N 2.91Å
220A95.5Very high84Confident28 Ų2861.7 Ų61.723%0.23133%0.332CS..THydrogen-bonded Turntrans-72.1-8.6170.900000114L184 L188 V216 E218 L222L184-A220 HydrophobicContact CD2-CB 3.5Å; L184-A220 VanDerWaalsContact CD2-CB 3.5Å; L188-A220 HydrophobicContact CD1-CB 3.8Å; V216-A220 WeakPolarHBondContact O-CB 3.5Å; V216-A220 PolarHBondContact O-N 2.99Å; E218-A220 VanDerWaalsContact C-N 3.26Å; E218-A220 PolarHBondContact O-N 3.04Å; A220-L222 HydrophobicContact CB-CD1 3.95Å; A220-L222 HydrophobicContact CB-CG 3.73Å; A220-L222 PolarHBondContact O-N 2.63Å
221G94.4Very high81.4Confident39 Ų3961 Ų6140%0.40233%0.331SS..THydrogen-bonded Turntrans67.423.2-173.200000113.5S63 F217 E218 D219S63-G221 VanDerWaalsContact CB-O 3.3Å; S63-G221 WeakPolarHBondContact CB-O 3.37Å; S63-G221 PolarHBondContact OG-O 3.49Å; F217-G221 PolarHBondContact O-N 3Å; E218-G221 WeakPolarHBondContact O-CA 3.37Å; E218-G221 PolarHBondContact O-N 3.4Å; D219-G221 PolarHBondContact O-N 2.91Å
222L95.9Very high79.1Confident4 Ų461 Ų612%0.02133%0.328CS..SBendtrans-87.5-32.6177.5-58.1178.2000111.8G64 W115 I117 F122 V180 L184 F217 A220G64-L222 VanDerWaalsContact CA-CD2 3.44Å; W115-L222 PolarHBondContact N-O 2.87Å; I117-L222 HydrophobicContact CD1-CB 4.11Å; I117-L222 HydrophobicContact CD1-CD1 4.19Å; F122-L222 HydrophobicContact CE1-CD1 3.98Å; F122-L222 HydrophobicContact CE1-CD2 3.98Å; F122-L222 HydrophobicContact CE1-CG 4.41Å; F122-L222 HydrophobicContact CZ-CD1 3.82Å; F122-L222 HydrophobicContact CZ-CD2 3.99Å; V180-L222 HydrophobicContact CG1-CD1 3.69Å; L184-L222 HydrophobicContact CD2-CD1 3.98Å; F217-L222 HydrophobicContact CB-CB 4.4Å; F217-L222 WeakPolarHBondContact O-CB 3.46Å; F217-L222 PolarHBondContact O-N 2.93Å; A220-L222 HydrophobicContact CB-CD1 3.95Å; A220-L222 HydrophobicContact CB-CG 3.73Å; A220-L222 PolarHBondContact O-N 2.63Å
223L95.7Very high76.5Confident36 Ų3660.5 Ų60.519%0.18833%0.334CS..SBendtrans-114.2150176.1-62.1-176.7000110.8W115 I117 R214 F217 E218 S225W115-L223 WeakPolarHBondContact O-CD2 3.13Å; I117-L223 HydrophobicContact CD1-CD2 4.37Å; R214-L223 HydrophobicContact CG-CD1 3.93Å; F217-L223 HydrophobicContact CB-CD1 3.74Å; F217-L223 HydrophobicContact CB-CG 3.81Å; F217-L223 HydrophobicContact CD2-CD1 4.1Å; F217-L223 HydrophobicContact CG-CD1 4.45Å; F217-L223 PolarHBondContact O-N 2.81Å; E218-L223 HydrophobicContact CG-CB 4.16Å; L223-S225 PolarHBondContact O-N 2.94Å
224K91.1Very high73.7Confident87 Ų8767 Ų6738%0.37837%0.365SS..  trans-70.8119.3172.7-174.5174.8-179.8175.40109.1E114 N226E114-K224 HydrophobicContact CB-CB 4.41Å; E114-K224 VanDerWaalsContact OE2-CB 3.29Å; E114-K224 WeakPolarHBondContact OE2-CB 3.39Å; E114-K224 PolarHBondContact OE2-N 3.43Å; K224-N226 PolarHBondContact O-N 3.45Å
225S80.8Confident71Confident20 Ų2065.5 Ų65.514%0.1437%0.371CS..  trans-71.8127.2175-175.10000111E218 L223 K227 V228E218-S225 VanDerWaalsContact CD-CA 3.49Å; E218-S225 VanDerWaalsContact OE2-CB 3.28Å; E218-S225 WeakPolarHBondContact OE2-CB 3.49Å; E218-S225 PolarHBondContact OE2-OG 3.41Å; L223-S225 PolarHBondContact O-N 2.94Å; S225-K227 PolarHBondContact O-N 3.2Å; S225-K227 WeakPolarHBondContact OG-CB 3.36Å; S225-K227 PolarHBondContact OG-N 3.46Å; S225-V228 PolarHBondContact O-N 2.88Å
226N67.1Low68.5Low115 Ų11570.5 Ų70.562%0.61539%0.392SS*.THydrogen-bonded Turntrans-66.1-21.7172.9-72.2-35.6000112K224 V228 T229K224-N226 PolarHBondContact O-N 3.45Å; N226-V228 VanDerWaalsContact C-N 3.27Å; N226-V228 PolarHBondContact O-N 3.41Å; N226-T229 PolarHBondContact O-OG1 3.46Å
227K55.1Low65.7Low136 Ų13675.4 Ų75.459%0.59142%0.423SS*.THydrogen-bonded Turntrans-69.4-24.6178.1-61.8175.1-178.9164.20112.5S225 T229 E230 T231S225-K227 PolarHBondContact O-N 3.2Å; S225-K227 WeakPolarHBondContact OG-CB 3.36Å; S225-K227 PolarHBondContact OG-N 3.46Å; K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.69Å; K227-E230 PolarHBondContact O-N 2.89Å; K227-T231 PolarHBondContact O-N 3.1Å
228V47.4Very low63.3Low70 Ų7085.3 Ų85.342%0.42446%0.46SS..Hα-helixtrans-70.6-24.6-177.2172.90000112.4S225 N226 E230 T231 V232S225-V228 PolarHBondContact O-N 2.88Å; N226-V228 VanDerWaalsContact C-N 3.27Å; N226-V228 PolarHBondContact O-N 3.41Å; V228-E230 PolarHBondContact O-N 3.22Å; V228-T231 WeakPolarHBondContact CA-OG1 3.46Å; V228-T231 PolarHBondContact O-N 2.99Å; V228-T231 PolarHBondContact O-OG1 3.49Å; V228-V232 HydrophobicContact CG1-CG2 3.45Å; V228-V232 VanDerWaalsContact CG1-CG2 3.45Å; V228-V232 WeakPolarHBondContact O-CB 3.45Å; V228-V232 VanDerWaalsContact O-CG2 3.23Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.05Å
229T43Very low60.9Low96 Ų9689.2 Ų89.259%0.58949%0.489SS*.Hα-helixtrans-64.7-30.4178.3-33.30000112.3N226 K227N226-T229 PolarHBondContact O-OG1 3.46Å; K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.69Å
230E39Very low58.8Low155 Ų15589.1 Ų89.172%0.72449%0.485SS*.Hα-helixtrans-81.6-40.2174.9-65.9-174.1164.100111.3K227 V228 E234K227-E230 PolarHBondContact O-N 2.89Å; V228-E230 PolarHBondContact O-N 3.22Å; E230-E234 PolarHBondContact O-N 3.32Å
231T41.7Very low56.7Low73 Ų7396.3 Ų96.345%0.44851%0.511SS..Hα-helixtrans-75-26.7-17861.80000113.7K227 V228 E234 A235K227-T231 PolarHBondContact O-N 3.1Å; V228-T231 WeakPolarHBondContact CA-OG1 3.46Å; V228-T231 PolarHBondContact O-N 2.99Å; V228-T231 PolarHBondContact O-OG1 3.49Å; T231-E234 CarbonylContact O-C 3.54Å; T231-E234 PolarHBondContact O-N 3.05Å; T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 2.78Å
232V46.4Very low54.7Low60 Ų6099.4 Ų99.436%0.36451%0.514SS..Hα-helixtrans-73.7-36.2176.9173.60000111.1V228 E234 A235 E236V228-V232 HydrophobicContact CG1-CG2 3.45Å; V228-V232 VanDerWaalsContact CG1-CG2 3.45Å; V228-V232 WeakPolarHBondContact O-CB 3.45Å; V228-V232 VanDerWaalsContact O-CG2 3.23Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.05Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 3.35Å; V232-A235 PolarHBondContact O-N 2.73Å; V232-E236 HydrophobicContact CG1-CG 4.14Å; V232-E236 WeakPolarHBondContact O-CB 3.29Å; V232-E236 WeakPolarHBondContact O-CG 3.27Å; V232-E236 PolarHBondContact O-N 3.23Å
233A42.8Very low53.3Low63 Ų63105.8 Ų105.852%0.52155%0.548SS..Hα-helixtrans-64.3-34.5171.700000112.1T237A233-T237 PolarHBondContact O-OG1 2.9Å
234E36.6Very low52.5Low143 Ų143107 Ų10767%0.66856%0.56SS**Hα-helixtrans-80.1-26.4172.9-80.9-173.7144.600114E230 T231 V232 T237 R238E230-E234 PolarHBondContact O-N 3.32Å; T231-E234 CarbonylContact O-C 3.54Å; T231-E234 PolarHBondContact O-N 3.05Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 3.35Å; E234-T237 WeakPolarHBondContact CA-OG1 3.3Å; E234-T237 PolarHBondContact O-OG1 2.93Å; E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 3.3Å
235A39.1Very low51.9Low55 Ų55110 Ų11046%0.45558%0.579SS.*Hα-helixtrans-84-34.9179.400000112.6T231 V232 T237 R238 S239T231-A235 WeakPolarHBondContact O-CB 3.44Å; T231-A235 PolarHBondContact O-N 2.78Å; V232-A235 PolarHBondContact O-N 2.73Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 3.15Å; A235-R238 CarbonylContact O-C 3.59Å; A235-R238 PolarHBondContact O-N 3.28Å; A235-S239 PolarHBondContact O-N 3.04Å
236E42.6Very low52Low153 Ų153115.5 Ų115.572%0.71560%0.603SS**Hα-helixtrans-66.4-30.9172.5-74.4-176.6169.600111.7V232 R238V232-E236 HydrophobicContact CG1-CG 4.14Å; V232-E236 WeakPolarHBondContact O-CB 3.29Å; V232-E236 WeakPolarHBondContact O-CG 3.27Å; V232-E236 PolarHBondContact O-N 3.23Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.93Å
237T38.4Very low52.8Low110 Ų110113.5 Ų113.568%0.67559%0.589SS**THydrogen-bonded Turntrans-76.1-13.817143.50000113.5A233 E234 A235A233-T237 PolarHBondContact O-OG1 2.9Å; E234-T237 WeakPolarHBondContact CA-OG1 3.3Å; E234-T237 PolarHBondContact O-OG1 2.93Å; A235-T237 VanDerWaalsContact C-N 3.27Å; A235-T237 PolarHBondContact O-N 3.15Å
238R45.5Very low54.2Low221 Ų221109.8 Ų109.883%0.83458%0.579SS**THydrogen-bonded Turntrans-106-11-179.2-151.2173.5-174.7-1782114.4E234 A235 E236 E240E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 3.3Å; A235-R238 CarbonylContact O-C 3.59Å; A235-R238 PolarHBondContact O-N 3.28Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.93Å; R238-E240 PolarHBondContact O-N 3.2Å
239S44.9Very low56.2Low96 Ų96112 Ų11267%0.67159%0.585SS**  trans-8947.2174.4-155.10000112.5A235 K241A235-S239 PolarHBondContact O-N 3.04Å; S239-K241 PolarHBondContact O-N 3.08Å
240E51.9Low58.5Low112 Ų112111.6 Ų111.652%0.52358%0.576SS.*  trans-72105.5154.3-72.8-171.5172.800106.7R238 H242 K247R238-E240 PolarHBondContact O-N 3.2Å; E240-H242 PolarHBondContact O-N 3.08Å; E240-K247 IonicContact OE2-NZ 3.86Å; E240-K247 PolarHBondContact OE2-NZ 2.98Å
241K52Low60.6Low178 Ų178106.5 Ų106.577%0.77455%0.554SS**  trans-47.7121.1163.2-73.7-179.5178177.10106.9S239 N243S239-K241 PolarHBondContact O-N 3.08Å; K241-N243 PolarHBondContact O-N 3.31Å; K241-N243 PolarHBondContact O-OD1 2.65Å
242H52.7Low62.9Low104 Ų104110.7 Ų110.748%0.48156%0.563SS.*  trans-55.3107.1-175.3-59.7-63000109.5E240 S244 C248 D251E240-H242 PolarHBondContact O-N 3.08Å; H242-S244 PolarHBondContact O-N 2.89Å; H242-S244 VanDerWaalsContact O-N 3.15Å; H242-C248 HydrophobicContact CB-CB 4.15Å; H242-D251 IonicContact CE1-OD2 3.35Å; H242-D251 PolarHBondContact CE1-OD2 3.47Å; H242-D251 IonicContact ND1-OD2 2.87Å; H242-D251 PolarHBondContact ND1-OD2 3.1Å; H242-D251 VanDerWaalsContact ND1-OD2 3.08Å
243N65Low65Low138 Ų138112.6 Ų112.674%0.73857%0.568SS**SBendtrans-72.9-5.8-171.7-67.5-36.8000112.7K241K241-N243 PolarHBondContact O-N 3.31Å; K241-N243 PolarHBondContact O-OD1 2.65Å
244S78.8Confident67.5Low61 Ų61115.4 Ų115.443%0.42757%0.568SS.*SBendtrans-151.4149.9177.371.30000112.5H242 Q246 K247 C248H242-S244 PolarHBondContact O-N 2.89Å; H242-S244 VanDerWaalsContact O-N 3.15Å; S244-Q246 PolarHBondContact O-N 2.9Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 WeakPolarHBondContact OG-CB 3.44Å; S244-K247 PolarHBondContact OG-N 3.05Å; S244-C248 PolarHBondContact O-N 2.75Å
245L79.6Confident70Confident151 Ų151114.8 Ų114.879%0.79157%0.565SS**Hα-helixtrans-57.5-36.2175.7-170.295.9000111.8C248 Q249L245-C248 WeakPolarHBondContact O-CB 2.92Å; L245-C248 PolarHBondContact O-N 2.95Å; L245-Q249 PolarHBondContact O-N 3.27Å
246Q83Confident72.3Confident136 Ų136114.8 Ų114.864%0.63656%0.562SS**Hα-helixtrans-66.5-43.8-179.6-171.7176.9-900112S244 C248 Q249 E250S244-Q246 PolarHBondContact O-N 2.9Å; Q246-C248 VanDerWaalsContact C-N 3.31Å; Q246-C248 PolarHBondContact O-N 2.87Å; Q246-Q249 PolarHBondContact O-N 2.98Å; Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 2.82Å
247K83.6Confident74.8Confident73 Ų73113.8 Ų113.832%0.31756%0.558SS.*Hα-helixtrans-64-38.8176.7-167.2173.2-177.6179.40111.3E240 S244 Q249 E250 D251E240-K247 IonicContact OE2-NZ 3.86Å; E240-K247 PolarHBondContact OE2-NZ 2.98Å; S244-K247 PolarHBondContact O-N 3.39Å; S244-K247 WeakPolarHBondContact OG-CB 3.44Å; S244-K247 PolarHBondContact OG-N 3.05Å; K247-Q249 PolarHBondContact O-N 2.75Å; K247-E250 PolarHBondContact O-N 3.15Å; K247-D251 WeakPolarHBondContact O-CB 3.38Å; K247-D251 PolarHBondContact O-N 3.22Å
248C83.7Confident77.3Confident58 Ų58112.5 Ų112.539%0.39254%0.544SS..Hα-helixtrans-60.5-42.4174.1-174.10000112.3H242 S244 L245 Q246 D251 Y252H242-C248 HydrophobicContact CB-CB 4.15Å; S244-C248 PolarHBondContact O-N 2.75Å; L245-C248 WeakPolarHBondContact O-CB 2.92Å; L245-C248 PolarHBondContact O-N 2.95Å; Q246-C248 VanDerWaalsContact C-N 3.31Å; Q246-C248 PolarHBondContact O-N 2.87Å; C248-D251 PolarHBondContact O-N 3.08Å; C248-Y252 VanDerWaalsContact O-CB 3.25Å; C248-Y252 WeakPolarHBondContact O-CB 3.34Å; C248-Y252 PolarHBondContact O-N 3.29Å
249Q89.9Confident79.4Confident117 Ų117104.8 Ų104.855%0.54752%0.521SS..Hα-helixtrans-69.3-38.4179.6-171.2162.6-2100112.5L245 Q246 K247 Q253L245-Q249 PolarHBondContact O-N 3.27Å; Q246-Q249 PolarHBondContact O-N 2.98Å; K247-Q249 PolarHBondContact O-N 2.75Å; Q249-Q253 WeakPolarHBondContact O-CG 2.95Å; Q249-Q253 PolarHBondContact O-N 2.95Å; Q249-Q253 VanDerWaalsContact O-N 3.1Å
250E91.5Very high81.6Confident87 Ų87103.1 Ų103.141%0.40751%0.513SS..Hα-helixtrans-66.3-43.5173.7-70.9172.8-165.300112Q246 K247 Y252 Q253 K254Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 2.82Å; K247-E250 PolarHBondContact O-N 3.15Å; E250-Y252 VanDerWaalsContact C-N 3.35Å; E250-Q253 PolarHBondContact O-N 3.06Å; E250-K254 WeakPolarHBondContact O-CG 3.44Å; E250-K254 PolarHBondContact O-N 3.21Å
251D83.7Confident83.6Confident47 Ų47104.9 Ų104.925%0.25152%0.515SS..Hα-helixtrans-66.9-37.8178.2-70.1-22.5000111.3H242 K247 C248 K254 Q255H242-D251 IonicContact CE1-OD2 3.35Å; H242-D251 PolarHBondContact CE1-OD2 3.47Å; H242-D251 IonicContact ND1-OD2 2.87Å; H242-D251 PolarHBondContact ND1-OD2 3.1Å; H242-D251 VanDerWaalsContact ND1-OD2 3.08Å; K247-D251 WeakPolarHBondContact O-CB 3.38Å; K247-D251 PolarHBondContact O-N 3.22Å; C248-D251 PolarHBondContact O-N 3.08Å; D251-K254 PolarHBondContact O-N 3.44Å; D251-Q255 VanDerWaalsContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CB 3.45Å; D251-Q255 PolarHBondContact O-N 3.4Å
252Y88.8Confident85.3Confident162 Ų162101 Ų10164%0.63550%0.502SS*.Hα-helixtrans-61.4-43.1173.3179.7-96000112C248 E250 Q255 S256C248-Y252 VanDerWaalsContact O-CB 3.25Å; C248-Y252 WeakPolarHBondContact O-CB 3.34Å; C248-Y252 PolarHBondContact O-N 3.29Å; E250-Y252 VanDerWaalsContact C-N 3.35Å; Y252-Q255 PolarHBondContact O-N 3.31Å; Y252-S256 WeakPolarHBondContact O-CB 3.44Å; Y252-S256 PolarHBondContact O-N 2.71Å; Y252-S256 PolarHBondContact O-OG 2.95Å
253Q91.8Very high87Confident100 Ų100101.8 Ų101.847%0.46750%0.501SS..Hα-helixtrans-62-50.7176.3-76.2177.5-7.600111.1Q249 E250 Q255 S256 E257Q249-Q253 WeakPolarHBondContact O-CG 2.95Å; Q249-Q253 PolarHBondContact O-N 2.95Å; Q249-Q253 VanDerWaalsContact O-N 3.1Å; E250-Q253 PolarHBondContact O-N 3.06Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.46Å; Q253-S256 PolarHBondContact O-N 3.26Å; Q253-S256 VanDerWaalsContact O-N 3.1Å; Q253-S256 PolarHBondContact O-OG 3.45Å; Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.39Å
254K93.5Very high88.1Confident122 Ų12297.8 Ų97.853%0.5349%0.487SS..Hα-helixtrans-57.4-42.4176.9-71173-175.5166.10112.4E250 D251 E257 E258E250-K254 WeakPolarHBondContact O-CG 3.44Å; E250-K254 PolarHBondContact O-N 3.21Å; D251-K254 PolarHBondContact O-N 3.44Å; K254-E257 PolarHBondContact O-N 3.38Å; K254-E258 PolarHBondContact O-N 2.91Å
255Q89.1Confident88.6Confident129 Ų12998.6 Ų98.660%0.60349%0.486SS*.Hα-helixtrans-65.1-41.6177.8-171.4177.4800111.3D251 Y252 Q253 E257 E258 V259D251-Q255 VanDerWaalsContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CB 3.45Å; D251-Q255 PolarHBondContact O-N 3.4Å; Y252-Q255 PolarHBondContact O-N 3.31Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.46Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.3Å; Q255-E258 PolarHBondContact O-N 3.37Å; Q255-V259 WeakPolarHBondContact O-CB 3.48Å; Q255-V259 VanDerWaalsContact O-CG2 3.24Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 2.93Å
256S89.1Confident88.9Confident56 Ų5693.9 Ų93.939%0.39246%0.461SS..Hα-helixtrans-63.8-36.8177.875.10000112.5Y252 Q253 A260Y252-S256 WeakPolarHBondContact O-CB 3.44Å; Y252-S256 PolarHBondContact O-N 2.71Å; Y252-S256 PolarHBondContact O-OG 2.95Å; Q253-S256 PolarHBondContact O-N 3.26Å; Q253-S256 VanDerWaalsContact O-N 3.1Å; Q253-S256 PolarHBondContact O-OG 3.45Å; S256-A260 WeakPolarHBondContact O-CB 3.27Å; S256-A260 PolarHBondContact O-N 3.06Å
257E94.1Very high89Confident132 Ų13292.1 Ų92.162%0.61746%0.46SS*.Hα-helixtrans-68.5-44.9176.5-71.6174.2179.900111.8Q253 K254 Q255 A260 R261Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.39Å; K254-E257 PolarHBondContact O-N 3.38Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.3Å; E257-A260 WeakPolarHBondContact O-CB 3.39Å; E257-A260 PolarHBondContact O-N 3.38Å; E257-R261 WeakPolarHBondContact O-CB 3.36Å; E257-R261 PolarHBondContact O-N 3.42Å
258E91.1Very high89.2Confident83 Ų8395.5 Ų95.539%0.38848%0.48SS..Hα-helixtrans-65-38.9175.3-87.5-62.7156.300112.1K254 Q255 A260 R261 L262K254-E258 PolarHBondContact O-N 2.91Å; Q255-E258 PolarHBondContact O-N 3.37Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.11Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NH1 2.91Å; E258-R261 PolarHBondContact OE1-NH1 2.89Å; E258-R261 IonicContact OE2-NH1 2.65Å; E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.41Å; E258-L262 PolarHBondContact O-N 3.34Å
259V89.8Confident89.4Confident59 Ų5997.5 Ų97.536%0.35849%0.487SS..Hα-helixtrans-61.3-41.9173.4169.80000111Q255 R263Q255-V259 WeakPolarHBondContact O-CB 3.48Å; Q255-V259 VanDerWaalsContact O-CG2 3.24Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 2.93Å; V259-R263 WeakPolarHBondContact O-CB 3.38Å; V259-R263 VanDerWaalsContact O-CG 3.24Å; V259-R263 WeakPolarHBondContact O-CG 3.24Å; V259-R263 PolarHBondContact O-N 3.5Å
260A90.8Very high89.1Confident60 Ų6099.4 Ų99.450%0.49650%0.501SS..Hα-helixtrans-64.3-42.4176.300000111.9S256 E257 E258 R263 A264S256-A260 WeakPolarHBondContact O-CB 3.27Å; S256-A260 PolarHBondContact O-N 3.06Å; E257-A260 WeakPolarHBondContact O-CB 3.39Å; E257-A260 PolarHBondContact O-N 3.38Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.11Å; A260-R263 PolarHBondContact O-N 3.23Å; A260-A264 PolarHBondContact O-N 3.25Å
261R94.3Very high88.5Confident149 Ų14999.9 Ų99.956%0.56251%0.505SS*.Hα-helixtrans-61.7-48.4176.3-178.5-171.7175.7-168.9-0.7112E257 E258 R263 A264 I265E257-R261 WeakPolarHBondContact O-CB 3.36Å; E257-R261 PolarHBondContact O-N 3.42Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NH1 2.91Å; E258-R261 PolarHBondContact OE1-NH1 2.89Å; E258-R261 IonicContact OE2-NH1 2.65Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 3.46Å; R261-A264 WeakPolarHBondContact O-CB 3.39Å; R261-A264 PolarHBondContact O-N 3.43Å; R261-I265 HydrophobicContact CG-CD1 4.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.38Å; R261-I265 PolarHBondContact O-N 3.45Å
262L87.8Confident88.1Confident96 Ų96103 Ų10350%0.50353%0.531SS..Hα-helixtrans-63.4-41.8179.2-71171.9000111.1E258 A264 I265 L266E258-L262 WeakPolarHBondContact O-CB 3.39Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.41Å; E258-L262 PolarHBondContact O-N 3.34Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.29Å; L262-I265 PolarHBondContact O-N 3.31Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.02Å
263R88.1Confident87.3Confident121 Ų121101.9 Ų101.946%0.45753%0.53SS..Hα-helixtrans-59.2-43.4173-75.1175.9-178.6-1720.5111.8V259 A260 R261 I265 L266 T267V259-R263 WeakPolarHBondContact O-CB 3.38Å; V259-R263 VanDerWaalsContact O-CG 3.24Å; V259-R263 WeakPolarHBondContact O-CG 3.24Å; V259-R263 PolarHBondContact O-N 3.5Å; A260-R263 PolarHBondContact O-N 3.23Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 3.46Å; R263-I265 VanDerWaalsContact C-N 3.32Å; R263-I265 PolarHBondContact O-N 3.31Å; R263-L266 PolarHBondContact O-N 3.48Å; R263-T267 WeakPolarHBondContact O-CG2 3.41Å; R263-T267 PolarHBondContact O-N 3.44Å; R263-T267 PolarHBondContact O-OG1 3.04Å
264A88.7Confident85.9Confident55 Ų55105.1 Ų105.146%0.45555%0.545SS..Hα-helixtrans-60-42.3176.400000111.9A260 R261 L262 T267 L268A260-A264 PolarHBondContact O-N 3.25Å; R261-A264 WeakPolarHBondContact O-CB 3.39Å; R261-A264 PolarHBondContact O-N 3.43Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.29Å; A264-T267 WeakPolarHBondContact CA-OG1 3.14Å; A264-T267 PolarHBondContact O-N 3.01Å; A264-T267 PolarHBondContact O-OG1 3.08Å; A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 2.88Å
265I89.1Confident83.9Confident77 Ų77102.9 Ų102.940%0.39554%0.544SS..Hα-helixtrans-64.6-43.3175.9-66.3168000111.2R261 L262 R263 T267 L268 N269R261-I265 HydrophobicContact CG-CD1 4.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.38Å; R261-I265 PolarHBondContact O-N 3.45Å; L262-I265 PolarHBondContact O-N 3.31Å; R263-I265 VanDerWaalsContact C-N 3.32Å; R263-I265 PolarHBondContact O-N 3.31Å; I265-T267 VanDerWaalsContact C-N 3.34Å; I265-T267 PolarHBondContact O-N 3.31Å; I265-L268 WeakPolarHBondContact O-CB 3.21Å; I265-L268 PolarHBondContact O-N 3.36Å; I265-N269 PolarHBondContact O-N 3.02Å; I265-N269 VanDerWaalsContact O-N 3.12Å; I265-N269 PolarHBondContact O-ND2 3.32Å
266L85.3Confident81.4Confident52 Ų52105 Ų10527%0.27255%0.554SS.*Hα-helixtrans-62.8-42.1177.6-68.9171.4000111.4L262 R263 L268 N269 N270 I271 F273L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.02Å; R263-L266 PolarHBondContact O-N 3.48Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L266-L268 PolarHBondContact O-N 3.43Å; L266-N269 CarbonylContact O-C 3.56Å; L266-N269 PolarHBondContact O-N 3.24Å; L266-N270 PolarHBondContact O-N 2.87Å; L266-I271 HydrophobicContact CB-CB 4.48Å; L266-I271 HydrophobicContact CD2-CB 3.97Å; L266-I271 HydrophobicContact CD2-CD1 4.03Å; L266-I271 HydrophobicContact CD2-CG2 3.94Å; L266-I271 PolarHBondContact O-N 3.24Å; L266-F273 HydrophobicContact CD1-CB 4.27Å; L266-F273 HydrophobicContact CD1-CG 4.48Å
267T85.1Confident79Confident100 Ų100107.9 Ų107.961%0.61357%0.572SS**Hα-helixtrans-65-35.8174.955.50000112.7R263 A264 I265 N269 N270R263-T267 WeakPolarHBondContact O-CG2 3.41Å; R263-T267 PolarHBondContact O-N 3.44Å; R263-T267 PolarHBondContact O-OG1 3.04Å; A264-T267 WeakPolarHBondContact CA-OG1 3.14Å; A264-T267 PolarHBondContact O-N 3.01Å; A264-T267 PolarHBondContact O-OG1 3.08Å; I265-T267 VanDerWaalsContact C-N 3.34Å; I265-T267 PolarHBondContact O-N 3.31Å; T267-N269 VanDerWaalsContact C-N 3.26Å; T267-N269 PolarHBondContact O-N 2.92Å; T267-N270 PolarHBondContact O-N 2.81Å
268L88.8Confident76.1Confident143 Ų143109.2 Ų109.275%0.74958%0.583SS**Hα-helixtrans-65.1-32.3176.2-176.866.3000112.2A264 I265 L266A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 2.88Å; I265-L268 WeakPolarHBondContact O-CB 3.21Å; I265-L268 PolarHBondContact O-N 3.36Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L266-L268 PolarHBondContact O-N 3.43Å
269N88.1Confident73.2Confident101 Ų101114.4 Ų114.454%0.5461%0.608SS.*THydrogen-bonded Turntrans-96.111.6-178.5-68.6-81.2000113.3I265 L266 T267 I271I265-N269 PolarHBondContact O-N 3.02Å; I265-N269 VanDerWaalsContact O-N 3.12Å; I265-N269 PolarHBondContact O-ND2 3.32Å; L266-N269 CarbonylContact O-C 3.56Å; L266-N269 PolarHBondContact O-N 3.24Å; T267-N269 VanDerWaalsContact C-N 3.26Å; T267-N269 PolarHBondContact O-N 2.92Å; N269-I271 HydrophobicContact CB-CD1 3.98Å; N269-I271 HydrophobicContact CB-CG1 4.1Å; N269-I271 PolarHBondContact O-N 2.94Å
270N83.3Confident70.6Confident157 Ų157120.8 Ų120.884%0.8463%0.633SS**THydrogen-bonded Turntrans5333.7-176.6-79-7.6000114.2L266 T267L266-N270 PolarHBondContact O-N 2.87Å; T267-N270 PolarHBondContact O-N 2.81Å
271I78.3Confident67.9Low96 Ų96128 Ų12849%0.49265%0.653SS.*  trans-93.8117.1176.3-58171.8000108.3L266 N269L266-I271 HydrophobicContact CB-CB 4.48Å; L266-I271 HydrophobicContact CD2-CB 3.97Å; L266-I271 HydrophobicContact CD2-CD1 4.03Å; L266-I271 HydrophobicContact CD2-CG2 3.94Å; L266-I271 PolarHBondContact O-N 3.24Å; N269-I271 HydrophobicContact CB-CD1 3.98Å; N269-I271 HydrophobicContact CB-CG1 4.1Å; N269-I271 PolarHBondContact O-N 2.94Å
272S75.1Confident64.9Low113 Ų113124.7 Ų124.779%0.7967%0.666SS**  trans-71.3132.9178.2-171.40000111.3
273F73.1Confident62.1Low139 Ų139124.8 Ų124.861%0.6168%0.681SS**  trans-139.8114.6173.7-178.1-93.3000109.9L266L266-F273 HydrophobicContact CD1-CB 4.27Å; L266-F273 HydrophobicContact CD1-CG 4.48Å
274E62Low59.3Low168 Ų168125.2 Ų125.279%0.78570%0.697SS**  trans-90.2133173-76.5-174.3167.200110.9
275S51.7Low56.5Low74 Ų74129 Ų12952%0.51772%0.715SS.*  trans-101.6111.2164.659.10000109.3P277S275-P277 WeakPolarHBondContact O-CD 3.48Å
276Q36.3Very low53.6Low173 Ų173129.9 Ų129.981%0.80873%0.733SS**  trans-70.4127.3165.1-71-170.9-8.100109.4
277P37.7Very low51.5Low118 Ų118133.3 Ų133.377%0.76676%0.759SS**  trans-83.5117.8168.611.63.6000109.9S275 E279S275-P277 WeakPolarHBondContact O-CD 3.48Å; P277-E279 PolarHBondContact O-N 2.92Å
278N32.9Very low48.8Very low159 Ų159133.4 Ų133.485%0.8577%0.77SS**  trans-76.4107.2159.7-82.8-22.1000108.6
279E31.7Very low46.3Very low193 Ų193136.5 Ų136.590%0.90278%0.777SS**  trans-100.6100.7162.2-82.8-166149.100109.8P277P277-E279 PolarHBondContact O-N 2.92Å
280E35.4Very low43.7Very low192 Ų192139.7 Ų139.790%0.89779%0.794SS**  trans-87.5110.5154.4-90-174.9152.200108.8
281K33.5Very low41.4Very low211 Ų211140 Ų14092%0.91779%0.791SS**  trans-146.3119151.1-77.5-166.6179.9169.80110.6
282G30.2Very low39.3Very low80 Ų80143 Ų14383%0.82581%0.807SS**  trans-89144.3164.600000112.2
283A28.9Very low37.4Very low98 Ų98148.8 Ų148.881%0.8181%0.811SS**  trans-176.4125.8134.500000112
284T29.8Very low35.4Very low131 Ų131145.6 Ų145.680%0.80482%0.817SS**  trans-28146.1157.18.40000116
285T29.3Very low34.2Very low134 Ų134145.7 Ų145.782%0.82282%0.823SS**  -166.614754.534.20000114.2
286A29.8Very low33.5Very low95 Ų95148.8 Ų148.879%0.78584%0.84SS**  trans-22-178.8163.600000123.2
287P40Very low33.4Very low125 Ų125144 Ų14481%0.81284%0.836SS**  cis-128.6157.1-42.433.5-17.2000112.7
288A29.6Very low33.4Very low102 Ų102145.1 Ų145.184%0.84384%0.835SS**  trans-144.2125.7161.900000110.9
289K35Very low33.7Very low208 Ų208147.7 Ų147.790%0.90484%0.839SS**  trans-59.3131.3168.9-77.3170.6168.5175.90109.3
290D33.6Very low34.1Very low168 Ų168144.3 Ų144.390%0.89883%0.828SS**  trans-148144.7131.5-133.6-13.1000111.3
291Q35.8Very low34.3Very low164 Ų164143.7 Ų143.777%0.76683%0.825SS**  trans-111.2151.9-164.2-147.1172900108.5
292L33.6Very low34.5Very low158 Ų158145.6 Ų145.683%0.82784%0.844SS**  trans87.8137.8165.5-48.9159.4000114.4
293R35.8Very low34.7Very low234 Ų234148.9 Ų148.988%0.88384%0.844SS**  cis-160.8131.319.4-155.7174.6-173.6174.3-0.2107.9
294G31.1Very low35Very low72 Ų72151.6 Ų151.674%0.74285%0.846SS**  trans-85.2138173.500000111.2
295D35.4Very low35.3Very low170 Ų170152.7 Ų152.791%0.90985%0.849SS**  trans-106.8114.4160.5-98.9-14.3000108.6
296T38.6Very low35.6Very low140 Ų140153.8 Ų153.886%0.85985%0.85SS**  trans-91.2106.4166.345.30000108.2L298T296-L298 PolarHBondContact O-N 2.89Å
297G34.6Very low36Very low72 Ų72157.5 Ų157.574%0.74285%0.854SS**  trans-77.4101170.400000110.9
298L36Very low35.7Very low142 Ų142159.7 Ų159.774%0.74386%0.857SS**  trans-69.3123.2168.3-160.491.4000109.1T296 D300T296-L298 PolarHBondContact O-N 2.89Å; L298-D300 WeakPolarHBondContact CD2-OD2 3.33Å
299F39.3Very low36.1Very low212 Ų212163.8 Ų163.893%0.9386%0.858SS**  trans-103102.7162-84.7-81.7000107.9
300D40Very low36.2Very low123 Ų123160.4 Ų160.466%0.65886%0.855SS**  trans-94.7131.2163.7-93.1-26.8000109.9L298L298-D300 WeakPolarHBondContact CD2-OD2 3.33Å
301Q39.6Very low36.5Very low179 Ų179159.8 Ų159.884%0.83685%0.851SS**  trans36.6111.8145.8-74.8171.7-34.900119.9
302L37.6Very low36.5Very low251 Ų251159.4 Ų159.4100%1.31486%0.859SS**  -154.20121.7-101.3164.1000109.8

Retrieved 302 of 302 residues in 68.8 ms (Link to these results)