A0A077ZML5_TRITR Loading...

Large ribosomal subunit protein uL4m

AlphaFold DB , UniProt , Accession A0A077ZML5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M38Very low36.4Very low239 Ų239180.1 Ų180.1100%1.17781%0.809SS**  087.30-72.7175.1-174.300107.1R3M1-R3 PolarHBondContact O-N 3.06Å
2Y35.6Very low36.1Very low223 Ų223173 Ų17388%0.87580%0.797SS**  trans-85101.5177.1-73.1-79.1000107.2W4Y2-W4 PolarHBondContact O-N 2.86Å; Y2-W4 VanDerWaalsContact O-N 3.12Å
3R29.9Very low36Very low229 Ų229171.9 Ų171.986%0.86480%0.8SS**  trans-69103.4-179.3-154.2170.9-176.3174.6-0.7106.5M1 Y5M1-R3 PolarHBondContact O-N 3.06Å; R3-Y5 PolarHBondContact O-N 3.21Å
4W34.3Very low36Very low231 Ų231169.7 Ų169.788%0.87580%0.795SS**  trans-58.1108.7170.7-72.476.8000107.1Y2 N6Y2-W4 PolarHBondContact O-N 2.86Å; Y2-W4 VanDerWaalsContact O-N 3.12Å; W4-N6 PolarHBondContact O-N 2.74Å
5Y37.8Very low35.7Very low226 Ų226171.3 Ų171.389%0.88680%0.798SS**  trans-63.1106166.8-91.9-90.8000106.4R3 S7R3-Y5 PolarHBondContact O-N 3.21Å; Y5-S7 PolarHBondContact O-N 2.76Å; Y5-S7 VanDerWaalsContact O-N 3.11Å
6N35.1Very low35.6Very low135 Ų135169.9 Ų169.972%0.72280%0.797SS**  trans-45.6116.4174.2-86.4-37.5000109.7W4 S8W4-N6 PolarHBondContact O-N 2.74Å; N6-S8 PolarHBondContact O-N 2.94Å
7S38.8Very low35.4Very low86 Ų86165.7 Ų165.760%0.60179%0.786SS**G310 helixtrans-68.51217570.70000113.6Y5 R9 L10Y5-S7 PolarHBondContact O-N 2.76Å; Y5-S7 VanDerWaalsContact O-N 3.11Å; S7-R9 PolarHBondContact O-N 3.29Å; S7-L10 PolarHBondContact O-N 2.93Å
8S39.5Very low35.3Very low87 Ų87168.8 Ų168.861%0.60880%0.796SS**G310 helixtrans-74.3-7.3-176.854.40000114.3N6N6-S8 PolarHBondContact O-N 2.94Å
9R36.8Very low35.2Very low226 Ų226164.4 Ų164.485%0.85378%0.781SS**G310 helixtrans-87.5-11.9172.4-86.7-172.9178178.5-0.8115.2S7S7-R9 PolarHBondContact O-N 3.29Å
10L35.1Very low35Very low147 Ų147162.1 Ų162.177%0.7778%0.783SS**SBendtrans-88.1-13.1179.7-81.4169.7000114.2S7S7-L10 PolarHBondContact O-N 2.93Å
11F40Very low34.9Very low152 Ų152161.7 Ų161.767%0.66778%0.778SS**SBendtrans-102.30.1-174.1-77.2-77.6000115.5
12S32.6Very low34.6Very low95 Ų95155.7 Ų155.766%0.66476%0.76SS**THydrogen-bonded Turntrans-85.6-5.3179.762.30000114.9
13L34.6Very low34.6Very low159 Ų159150.4 Ų150.483%0.83275%0.746SS**THydrogen-bonded Turntrans-92.8-1.8-178.6-84.5165.7000114.9
14L36Very low34.7Very low141 Ų141147.8 Ų147.874%0.73874%0.744SS**SBendtrans-94.710.2-175.5-80.6157.6000114.9
15K32.2Very low34.6Very low193 Ų193142.2 Ų142.284%0.83974%0.738SS**  trans-111.853.6178.1-79.6-172.7176.9-179.40112.7
16L33Very low34.4Very low150 Ų150137.1 Ų137.179%0.78573%0.73SS**SBendtrans-133.690.8158.3-77.5171.5000109.7
17T32.8Very low34.3Very low98 Ų98136.8 Ų136.860%0.60174%0.736SS**  57.5106.2127.556.40000117.8T19T17-T19 PolarHBondContact O-N 3.09Å
18K33.7Very low34.3Very low221 Ų221140.2 Ų140.296%0.96175%0.746SS**  trans-58.175.6149.8-66.2177176.1-179.30109.7
19T32.7Very low34.2Very low85 Ų85145.2 Ų145.252%0.52176%0.76SS.*  trans-101.3110.7160.444.30000106T17 F21T17-T19 PolarHBondContact O-N 3.09Å; T19-F21 PolarHBondContact O-N 2.69Å
20S30.7Very low34.4Very low118 Ų118139.4 Ų139.483%0.82575%0.754SS**  trans-52.188.6166.845.60000109.5S22S20-S22 PolarHBondContact O-N 2.99Å
21F34.2Very low34.6Very low155 Ų155141.1 Ų141.168%0.6876%0.758SS**  trans-76.592.8177.1-118.2-118.3000107.7T19 N23T19-F21 PolarHBondContact O-N 2.69Å; F21-N23 HydrophobicContact CD1-CB 3.79Å; F21-N23 VanDerWaalsContact CD1-ND2 3.31Å; F21-N23 WeakPolarHBondContact CD1-ND2 3.35Å; F21-N23 WeakPolarHBondContact CD1-OD1 2.97Å; F21-N23 HydrophobicContact CE1-CB 4.33Å; F21-N23 WeakPolarHBondContact CE1-ND2 3.48Å; F21-N23 PolarHBondContact O-N 3.03Å
22S30.9Very low34.4Very low112 Ų112138.5 Ų138.578%0.78376%0.759SS**  trans-82.158.9162.452.30000108.7S20 Q24S20-S22 PolarHBondContact O-N 2.99Å; S22-Q24 PolarHBondContact O-N 3.21Å
23N35.5Very low35Very low112 Ų112140.9 Ų140.960%0.59976%0.763SS**  trans-87.590.8173.1-85.623.4000108.5F21 P25F21-N23 HydrophobicContact CD1-CB 3.79Å; F21-N23 VanDerWaalsContact CD1-ND2 3.31Å; F21-N23 WeakPolarHBondContact CD1-ND2 3.35Å; F21-N23 WeakPolarHBondContact CD1-OD1 2.97Å; F21-N23 HydrophobicContact CE1-CB 4.33Å; F21-N23 WeakPolarHBondContact CE1-ND2 3.48Å; F21-N23 PolarHBondContact O-N 3.03Å; N23-P25 WeakPolarHBondContact O-CD 3.3Å
24Q32.3Very low35.3Very low175 Ų175140.4 Ų140.482%0.81876%0.761SS**PPolyproline II helixtrans-55.4116.6148.8-72.3-80.2-2900106.2S22 T26S22-Q24 PolarHBondContact O-N 3.21Å; Q24-T26 PolarHBondContact O-N 3.19Å; Q24-T26 VanDerWaalsContact O-N 3.09Å
25P33.3Very low35.6Very low113 Ų113138.2 Ų138.273%0.73475%0.753SS**PPolyproline II helixtrans-62.5116.7175.523.8-29.4000107.8N23N23-P25 WeakPolarHBondContact O-CD 3.3Å
26T32.2Very low35.9Very low120 Ų120134.1 Ų134.174%0.73675%0.746SS**PPolyproline II helixtrans-55.8128.5164.243.70000107.4Q24 L28Q24-T26 PolarHBondContact O-N 3.19Å; Q24-T26 VanDerWaalsContact O-N 3.09Å; T26-L28 PolarHBondContact O-N 2.88Å
27P33.6Very low36.3Very low128 Ų128131.1 Ų131.183%0.83174%0.743SS**  trans-62.5110-177.3-13.226.3000107.8E29P27-E29 PolarHBondContact O-N 3.49Å
28L38.7Very low36.9Very low158 Ų158134.8 Ų134.883%0.82775%0.751SS**  trans-64.7125.2164.7-75.4169.9000106T26 S30T26-L28 PolarHBondContact O-N 2.88Å; L28-S30 PolarHBondContact O-N 3.39Å
29E37.4Very low37.1Very low191 Ų191130.8 Ų130.889%0.89374%0.74SS**  trans-56.787.1178.1-152.3154.3-159.200108P27 Q31P27-E29 PolarHBondContact O-N 3.49Å; E29-Q31 PolarHBondContact O-N 3.25Å
30S40.1Very low37.5Very low105 Ų105132.9 Ų132.973%0.73475%0.747SS**  trans-64.9112.3178.854.30000106.2L28 S32L28-S30 PolarHBondContact O-N 3.39Å; S30-S32 PolarHBondContact O-N 3.24Å
31Q41.3Very low37.8Very low182 Ų182134.7 Ų134.785%0.8574%0.742SS**  trans-52.6112.4167.8-65.3-156.2-9.800107.2E29 I33E29-Q31 PolarHBondContact O-N 3.25Å; Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.09Å
32S34.9Very low38.2Very low98 Ų98133.8 Ų133.869%0.68574%0.739SS**  trans-64.992.4179.250.20000107.8S30 D34S30-S32 PolarHBondContact O-N 3.24Å; S32-D34 PolarHBondContact O-N 2.96Å
33I44.1Very low38.9Very low145 Ų145135.9 Ų135.974%0.74474%0.741SS**  trans-72.5106159.7-61.1174.6000104.3Q31 V35Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.09Å; I33-V35 HydrophobicContact CG2-CG2 3.93Å; I33-V35 PolarHBondContact O-N 3.07Å
34D41.1Very low39.2Very low148 Ų148133.2 Ų133.279%0.79173%0.726SS**  trans-64.277.6174.7-72.1-30.9000109.3S32S32-D34 PolarHBondContact O-N 2.96Å
35V42.8Very low40.2Very low95 Ų95126.7 Ų126.758%0.57670%0.699SS**  trans-77.9122.9165.4-174.70000105.9I33 A37I33-V35 HydrophobicContact CG2-CG2 3.93Å; I33-V35 PolarHBondContact O-N 3.07Å; V35-A37 PolarHBondContact O-N 3.43Å
36P39.6Very low41.2Very low107 Ų107122.6 Ų122.670%0.69567%0.673SS**  trans-57.8118.5178.523.5-31.9000107.8K38P36-K38 PolarHBondContact O-N 2.87Å
37A41.7Very low42.4Very low88 Ų88121.7 Ų121.773%0.72767%0.672SS**  trans-65.364.8161.400000107.7V35 D39V35-A37 PolarHBondContact O-N 3.43Å; A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 3.02Å; A37-D39 VanDerWaalsContact O-N 3.09Å
38K43.7Very low44Very low175 Ų175122.9 Ų122.976%0.76167%0.666SS**  trans-64.5111.3152.8-124180-177.61790102.2P36 L40P36-K38 PolarHBondContact O-N 2.87Å; K38-L40 PolarHBondContact O-N 3.07Å
39D38.7Very low45.9Very low136 Ų136117 Ų11773%0.72763%0.633SS**  trans-56.965.9169-59.9-49.9000109.4A37 H41A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 3.02Å; A37-D39 VanDerWaalsContact O-N 3.09Å; D39-H41 PolarHBondContact O-N 3.12Å
40L40Very low47.8Very low130 Ų130117.8 Ų117.868%0.68163%0.628SS**  trans-75.267.1148.1-64173.7000104.1K38 F42K38-L40 PolarHBondContact O-N 3.07Å; L40-F42 HydrophobicContact CB-CD2 4.27Å; L40-F42 PolarHBondContact O-N 3.01Å
41H38.5Very low49.7Very low155 Ų155114.2 Ų114.272%0.71860%0.6SS**  trans-52.882.4131.9-86.2-75.7000104.5D39 D43D39-H41 PolarHBondContact O-N 3.12Å; H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.39Å
42F41.5Very low51.5Low137 Ų137109.7 Ų109.760%0.60158%0.582SS**  trans-50.3119.5148.7-103.8-99.4000102.2L40 L44L40-F42 HydrophobicContact CB-CD2 4.27Å; L40-F42 PolarHBondContact O-N 3.01Å; F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 3.67Å; F42-L44 HydrophobicContact CG-CD2 4.43Å; F42-L44 VanDerWaalsContact O-CG 3.28Å; F42-L44 WeakPolarHBondContact O-CG 3.31Å; F42-L44 PolarHBondContact O-N 2.82Å
43D45.4Very low53.4Low156 Ų156113.6 Ų113.683%0.83459%0.586SS**  trans-64.278.8165.8-75.7-39.6000105.3H41H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 PolarHBondContact O-N 3.39Å
44L42.5Very low55.1Low56 Ų56117 Ų11729%0.29359%0.59SS.*  trans-64.8145.6-158.4-80.6152.8000108.7F42 S46 S47 P80F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 3.67Å; F42-L44 HydrophobicContact CG-CD2 4.43Å; F42-L44 VanDerWaalsContact O-CG 3.28Å; F42-L44 WeakPolarHBondContact O-CG 3.31Å; F42-L44 PolarHBondContact O-N 2.82Å; L44-S46 PolarHBondContact O-N 3.5Å; L44-S47 PolarHBondContact O-N 3.2Å; L44-S47 PolarHBondContact O-OG 3.47Å; L44-P80 HydrophobicContact CB-CG 4.11Å; L44-P80 HydrophobicContact CD1-CG 3.76Å; L44-P80 HydrophobicContact CD2-CG 3.57Å; L44-P80 HydrophobicContact CG-CG 3.95Å
45P52.8Low57Low37 Ų37113.1 Ų113.124%0.2457%0.57CS.*G310 helixtrans-55.6-12.517522.4-32.9000112.8S47 Q48 W49P45-S47 PolarHBondContact O-N 3.06Å; P45-S47 VanDerWaalsContact O-N 3.15Å; P45-Q48 WeakPolarHBondContact O-CA 3.32Å; P45-Q48 VanDerWaalsContact O-CB 3.22Å; P45-Q48 WeakPolarHBondContact O-CB 3.42Å; P45-Q48 PolarHBondContact O-N 2.75Å; P45-W49 VanDerWaalsContact O-CD1 3.31Å; P45-W49 PolarHBondContact O-N 3.45Å
46S54.6Low58.9Low28 Ų28118.1 Ų118.120%0.19658%0.584CS.*G310 helixtrans-46.1-36.7166.6-45.50000113.9L44 Q48 W49 P80L44-S46 PolarHBondContact O-N 3.5Å; S46-Q48 PolarHBondContact O-N 3.12Å; S46-W49 WeakPolarHBondContact O-CB 3.37Å; S46-W49 PolarHBondContact O-N 3.24Å; S46-W49 VanDerWaalsContact O-N 3.09Å; S46-P80 VanDerWaalsContact OG-CG 3.29Å; S46-P80 WeakPolarHBondContact OG-CG 3.35Å
47S58.5Low61Low100 Ų100121.8 Ų121.870%0.69959%0.589SS**G310 helixtrans-62.9-28.5175.965.60000112.8L44 P45L44-S47 PolarHBondContact O-N 3.2Å; L44-S47 PolarHBondContact O-OG 3.47Å; P45-S47 PolarHBondContact O-N 3.06Å; P45-S47 VanDerWaalsContact O-N 3.15Å
48Q66.4Low63Low153 Ų153120 Ų12072%0.71557%0.566SS**G310 helixtrans-82.5-17.4176.4-55.6-179.3-22.300112.4P45 S46 R50P45-Q48 WeakPolarHBondContact O-CA 3.32Å; P45-Q48 VanDerWaalsContact O-CB 3.22Å; P45-Q48 WeakPolarHBondContact O-CB 3.42Å; P45-Q48 PolarHBondContact O-N 2.75Å; S46-Q48 PolarHBondContact O-N 3.12Å; Q48-R50 PolarHBondContact O-N 3.45Å
49W79.1Confident65Low36 Ų36118.4 Ų118.414%0.13656%0.562CS.*SBendtrans-71.7132178.6-59.2-13000110.3P45 S46 L51 I60 P80 L81 H82P45-W49 VanDerWaalsContact O-CD1 3.31Å; P45-W49 PolarHBondContact O-N 3.45Å; S46-W49 WeakPolarHBondContact O-CB 3.37Å; S46-W49 PolarHBondContact O-N 3.24Å; S46-W49 VanDerWaalsContact O-N 3.09Å; W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CD2 4.48Å; W49-L51 HydrophobicContact CB-CG 3.86Å; W49-L51 HydrophobicContact CE3-CD1 3.87Å; W49-L51 PolarHBondContact O-N 3.1Å; W49-I60 HydrophobicContact CZ3-CG2 4.2Å; W49-P80 HydrophobicContact CH2-CB 4.14Å; W49-P80 HydrophobicContact CH2-CG 4.3Å; W49-P80 HydrophobicContact CZ3-CB 4.38Å; W49-L81 VanDerWaalsContact CH2-C 3.44Å; W49-H82 HydrophobicContact CD2-CB 4.46Å; W49-H82 AromaticContact CD2-CD2 3.5Å; W49-H82 VanDerWaalsContact CD2-CD2 3.5Å; W49-H82 AromaticContact CE2-CD2 3.99Å; W49-H82 HydrophobicContact CE3-CB 4.4Å; W49-H82 AromaticContact CE3-CD2 3.84Å; W49-H82 AromaticContact CG-CD2 3.57Å; W49-H82 HydrophobicContact CH2-CB 4.29Å; W49-H82 HydrophobicContact CZ2-CB 4.34Å; W49-H82 HydrophobicContact CZ3-CB 4.32Å
50R77.5Confident67.4Low207 Ų207115.3 Ų115.378%0.78155%0.545SS*.  trans-80.363.9174.5-71.5-173.2-74.9157.1-2.7110.1Q48Q48-R50 PolarHBondContact O-N 3.45Å
51L78.7Confident69.9Low29 Ų29109.2 Ų109.215%0.15251%0.513CS..  trans-83.8146.5174.5-61.5177.8000110.6W49 K53 L58 I60 P83W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CD2 4.48Å; W49-L51 HydrophobicContact CB-CG 3.86Å; W49-L51 HydrophobicContact CE3-CD1 3.87Å; W49-L51 PolarHBondContact O-N 3.1Å; L51-K53 PolarHBondContact O-N 3.37Å; L51-L58 HydrophobicContact CB-CD2 4.17Å; L51-L58 HydrophobicContact CD1-CD2 3.9Å; L51-L58 HydrophobicContact CD2-CD2 4.42Å; L51-L58 HydrophobicContact CG-CD2 4.38Å; L51-I60 HydrophobicContact CD1-CD1 4.2Å; L51-I60 HydrophobicContact CD1-CG1 4.34Å; L51-P83 HydrophobicContact CD1-CG 4.33Å; L51-P83 HydrophobicContact CD2-CG 3.56Å
52D80Confident72.5Confident88 Ų88107.2 Ų107.247%0.47150%0.504SS..  trans-72.597172.6-176.49.3000110.1W54 N55D52-W54 PolarHBondContact O-N 2.94Å; D52-W54 PolarHBondContact OD1-N 3.29Å; D52-W54 VanDerWaalsContact OD1-N 3.14Å; D52-N55 HydrophobicContact CB-CB 4.15Å; D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.79Å; D52-N55 VanDerWaalsContact O-N 3.12Å
53K74.5Confident75Confident179 Ų179101.1 Ų101.178%0.77848%0.479SS*.THydrogen-bonded Turntrans-63.8-17.7-179.1-61.8-176.3-178.8-178.10113.2L51L51-K53 PolarHBondContact O-N 3.37Å
54W80.1Confident77.4Confident218 Ų21899.9 Ų99.983%0.82646%0.463SS*.THydrogen-bonded Turntrans-86.8-15.2178.7-68.2-98.3000112.6D52 K56D52-W54 PolarHBondContact O-N 2.94Å; D52-W54 PolarHBondContact OD1-N 3.29Å; D52-W54 VanDerWaalsContact OD1-N 3.14Å; W54-K56 PolarHBondContact O-N 3.15Å; W54-K56 VanDerWaalsContact O-N 3.09Å
55N81.3Confident79.9Confident66 Ų6697.4 Ų97.435%0.35345%0.45SS..  trans-76.997.6177.1-173.71.3000110.8D52 F57 L58D52-N55 HydrophobicContact CB-CB 4.15Å; D52-N55 WeakPolarHBondContact O-CB 3.3Å; D52-N55 PolarHBondContact O-N 2.79Å; D52-N55 VanDerWaalsContact O-N 3.12Å; N55-F57 PolarHBondContact O-N 3.33Å; N55-F57 VanDerWaalsContact O-N 3.17Å; N55-F57 PolarHBondContact OD1-N 3.27Å; N55-F57 VanDerWaalsContact OD1-N 3.11Å; N55-L58 HydrophobicContact CB-CB 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.3Å; N55-L58 PolarHBondContact O-N 2.81Å; N55-L58 VanDerWaalsContact O-N 3.14Å
56K82.5Confident81.8Confident200 Ų20095.9 Ų95.987%0.8744%0.44SS*.THydrogen-bonded Turntrans-63.3-18.4178.9-62.1179.2-177.1177.90114.2W54W54-K56 PolarHBondContact O-N 3.15Å; W54-K56 VanDerWaalsContact O-N 3.09Å
57F83.5Confident83.6Confident183 Ų18395 Ų9580%0.80343%0.434SS*.THydrogen-bonded Turntrans-95.21.8-179.8-54.3-72.3000112.7N55 E59N55-F57 PolarHBondContact O-N 3.33Å; N55-F57 VanDerWaalsContact O-N 3.17Å; N55-F57 PolarHBondContact OD1-N 3.27Å; N55-F57 VanDerWaalsContact OD1-N 3.11Å; F57-E59 PolarHBondContact O-N 2.88Å; F57-E59 VanDerWaalsContact O-N 3.12Å
58L83.8Confident85.1Confident50 Ų5090.3 Ų90.326%0.26240%0.401SS..  trans-78.295.1177.3-172124000109.9L51 N55 I60 P83L51-L58 HydrophobicContact CB-CD2 4.17Å; L51-L58 HydrophobicContact CD1-CD2 3.9Å; L51-L58 HydrophobicContact CD2-CD2 4.42Å; L51-L58 HydrophobicContact CG-CD2 4.38Å; N55-L58 HydrophobicContact CB-CB 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.3Å; N55-L58 PolarHBondContact O-N 2.81Å; N55-L58 VanDerWaalsContact O-N 3.14Å; L58-I60 HydrophobicContact CD2-CG1 4.28Å; L58-P83 HydrophobicContact CD1-CG 4.21Å; L58-P83 HydrophobicContact CD2-CG 4.28Å; L58-P83 HydrophobicContact CG-CG 4.31Å
59E85Confident86.2Confident142 Ų14287.2 Ų87.266%0.66439%0.389SS*.  trans-88.4122.8174-65.4178.2-179.200110.3F57 P61F57-E59 PolarHBondContact O-N 2.88Å; F57-E59 VanDerWaalsContact O-N 3.12Å; E59-P61 VanDerWaalsContact O-CD 3.28Å; E59-P61 WeakPolarHBondContact O-CD 3.5Å
60I89.5Confident86.8Confident71 Ų7191.9 Ų91.936%0.36441%0.41SS..  trans-79.8114.5177.9-59.8173.1000108W49 L51 L58 P80W49-I60 HydrophobicContact CZ3-CG2 4.2Å; L51-I60 HydrophobicContact CD1-CD1 4.2Å; L51-I60 HydrophobicContact CD1-CG1 4.34Å; L58-I60 HydrophobicContact CD2-CG1 4.28Å; I60-P80 HydrophobicContact CG2-CB 3.77Å
61P92.4Very high87.4Confident2 Ų284.2 Ų84.21%0.01339%0.387CS..  trans-61.8144.2174.125.5-32.4000110.1E59 L81 F86 R87E59-P61 VanDerWaalsContact O-CD 3.28Å; E59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-L81 HydrophobicContact CB-CB 4.31Å; P61-L81 VanDerWaalsContact CD-O 3.32Å; P61-L81 WeakPolarHBondContact CD-O 3.3Å; P61-L81 HydrophobicContact CG-CB 3.89Å; P61-L81 VanDerWaalsContact CG-O 3.3Å; P61-L81 WeakPolarHBondContact CG-O 3.44Å; P61-L81 PolarHBondContact O-N 2.78Å; P61-F86 HydrophobicContact CG-CB 4.01Å; P61-R87 HydrophobicContact CB-CG 4.18Å; P61-R87 HydrophobicContact CG-CG 3.82Å
62Q93.9Very high87.9Confident113 Ų11390.1 Ų90.153%0.52841%0.413SS..EExtended strand (participates in β ladder)trans-123.8156.3174.1-64.2178.1-7.800109L78 V79 H199Q62-L78 HydrophobicContact CB-CD2 4.47Å; Q62-V79 WeakPolarHBondContact CA-O 3.44Å; Q62-H199 PolarHBondContact O-NE2 2.63Å
63A93.8Very high88.3Confident10 Ų1090.3 Ų90.38%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-140146.2173.100000109.7V79 L81 I206A63-V79 PolarHBondContact N-O 3.35Å; A63-V79 PolarHBondContact O-N 3.09Å; A63-L81 HydrophobicContact CB-CD1 3.84Å; A63-L81 HydrophobicContact CB-CG 4.42Å; A63-I206 HydrophobicContact CB-CD1 3.48Å; A63-I206 VanDerWaalsContact CB-CD1 3.48Å; A63-I206 HydrophobicContact CB-CG1 4.12Å
64W95.5Very high89.1Confident130 Ų13085.4 Ų85.449%0.49239%0.394SS..EExtended strand (participates in β ladder)trans-71.4139.1174.9-67.7103000110.2R75 L78W64-R75 HydrophobicContact CE3-CB 4.08Å; W64-R75 HydrophobicContact CE3-CG 4.41Å; W64-L78 HydrophobicContact CD2-CD2 3.47Å; W64-L78 VanDerWaalsContact CD2-CD2 3.47Å; W64-L78 HydrophobicContact CD2-CG 4.13Å; W64-L78 HydrophobicContact CE3-CD2 3.6Å; W64-L78 HydrophobicContact CE3-CG 3.72Å; W64-L78 HydrophobicContact CG-CD2 4Å; W64-L78 HydrophobicContact CH2-CD1 3.92Å; W64-L78 HydrophobicContact CH2-CD2 4.06Å; W64-L78 HydrophobicContact CH2-CG 3.93Å; W64-L78 HydrophobicContact CZ2-CD1 4.32Å; W64-L78 HydrophobicContact CZ2-CD2 3.93Å; W64-L78 HydrophobicContact CZ2-CG 4.31Å; W64-L78 HydrophobicContact CZ3-CD1 4.09Å; W64-L78 HydrophobicContact CZ3-CD2 3.9Å; W64-L78 HydrophobicContact CZ3-CG 3.62Å
65V95.4Very high89.6Confident4 Ų480.6 Ų80.62%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-97.8126.7170.2-164.90000108.4R75 V76 G77 V79 I206 D208 L280V65-R75 WeakPolarHBondContact O-CA 3.14Å; V65-V76 PolarHBondContact O-N 2.62Å; V65-G77 PolarHBondContact N-O 2.82Å; V65-V79 HydrophobicContact CG2-CB 3.87Å; V65-V79 HydrophobicContact CG2-CG2 3.29Å; V65-I206 HydrophobicContact CG1-CG2 4.33Å; V65-I206 HydrophobicContact CG2-CG2 4.32Å; V65-D208 HydrophobicContact CG1-CB 4.38Å; V65-D208 WeakPolarHBondContact CG1-OD1 3.27Å; V65-L280 HydrophobicContact CG1-CD1 4.09Å; V65-L280 HydrophobicContact CG1-CD2 3.99Å; V65-L280 HydrophobicContact CG1-CG 4.05Å; V65-L280 HydrophobicContact CG2-CD2 3.81Å
66S92.1Very high90.1Very high4 Ų481.3 Ų81.33%0.02838%0.382CS..EExtended strand (participates in β ladder)trans-113.7143.6-179.262.30000111.8N74 I206 V207 D208S66-N74 VanDerWaalsContact CA-O 3.28Å; S66-N74 WeakPolarHBondContact CA-O 3.26Å; S66-I206 PolarHBondContact N-O 3.27Å; S66-I206 PolarHBondContact OG-O 3.29Å; S66-I206 VanDerWaalsContact OG-O 3.04Å; S66-V207 CarbonylContact O-C 3.59Å; S66-V207 WeakPolarHBondContact O-CA 3.45Å; S66-D208 PolarHBondContact O-N 2.8Å; S66-D208 VanDerWaalsContact O-N 3.08Å
67S92.1Very high90.5Very high9 Ų973.1 Ų73.16%0.06336%0.355CS..EExtended strand (participates in β ladder)trans-89.6156.1171.1-46.90000111.2N74 V76 D208 R228S67-N74 PolarHBondContact N-O 3.37Å; S67-V76 WeakPolarHBondContact OG-CG2 3.47Å; S67-D208 PolarHBondContact OG-OD2 3.14Å; S67-R228 PolarHBondContact O-NH1 3.3Å; S67-R228 PolarHBondContact O-NH2 3.36Å
68L90Very high91Very high2 Ų268.1 Ų68.11%0.0134%0.336CS..SBendtrans-105.613.4176.7-58.8176.1000113.9K70 V207 F210 S212 L213 W230L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.69Å; L68-V207 HydrophobicContact CD1-CG1 3.68Å; L68-V207 HydrophobicContact CD1-CG2 4.25Å; L68-V207 HydrophobicContact CD2-CG1 4.44Å; L68-V207 HydrophobicContact CD2-CG2 4.06Å; L68-V207 HydrophobicContact CG-CG1 3.64Å; L68-V207 HydrophobicContact CG-CG2 4.14Å; L68-F210 HydrophobicContact CD1-CD1 3.9Å; L68-F210 HydrophobicContact CD1-CE1 4.45Å; L68-S212 WeakPolarHBondContact CB-OG 3.28Å; L68-S212 PolarHBondContact N-OG 2.93Å; L68-L213 HydrophobicContact CB-CD2 3.67Å; L68-L213 HydrophobicContact CB-CG 3.92Å; L68-L213 HydrophobicContact CD1-CD1 4.11Å; L68-L213 HydrophobicContact CD1-CD2 3.97Å; L68-L213 HydrophobicContact CD1-CG 3.81Å; L68-L213 HydrophobicContact CG-CD2 4.34Å; L68-W230 HydrophobicContact CD2-CH2 3.74Å; L68-W230 HydrophobicContact CD2-CZ2 4.25Å
69D90.2Very high91.4Very high88 Ų8867.2 Ų67.247%0.47133%0.332SS..SBendtrans-68.5-30.8-179.3-55.5-52.6000113.4S212 Y220D69-S212 WeakPolarHBondContact OD1-CB 3.37Å; D69-S212 VanDerWaalsContact OD1-O 3.13Å; D69-Y220 PolarHBondContact O-OH 3.16Å; D69-Y220 VanDerWaalsContact O-OH 3.07Å
70K90.7Very high91.8Very high134 Ų13460.9 Ų60.958%0.58330%0.303SS*.SBendtrans-122.8153.9-176-64.3-176.6-177.5178.90110.1L68 R228L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 2.69Å; K70-R228 PolarHBondContact O-NH2 3.29Å
71V90.4Very high92Very high47 Ų4757.5 Ų57.529%0.28529%0.286SS..SBendtrans-60.9-51175.6179.50000110.1Y220 D223 S227 R228V71-Y220 HydrophobicContact CG2-CD2 4.1Å; V71-Y220 HydrophobicContact CG2-CE2 3.53Å; V71-D223 HydrophobicContact CG1-CB 4.11Å; V71-S227 WeakPolarHBondContact CG1-OG 3.17Å; V71-S227 PolarHBondContact O-OG 3.36Å; V71-R228 PolarHBondContact O-NE 3.25Å
72E90Very high92Very high152 Ų15257.6 Ų57.671%0.7129%0.286SS*.SBendtrans-61.5148.4175.9-62.3176.3-177.800112.5N74 R228E72-N74 PolarHBondContact O-N 3.48Å; E72-N74 VanDerWaalsContact O-N 3.15Å; E72-R228 PolarHBondContact O-NH2 2.88Å
73E88.1Confident91.9Very high92 Ų9252.6 Ų52.643%0.4326%0.264SS..  trans-68.8109.3179-165.6-166.6160.100110.7R75 R228E73-R75 HydrophobicContact CG-CG 4.45Å; E73-R75 IonicContact OE1-CZ 3.27Å; E73-R75 IonicContact OE1-NE 3.01Å; E73-R75 PolarHBondContact OE1-NE 3Å; E73-R75 IonicContact OE1-NH2 2.81Å; E73-R75 PolarHBondContact OE1-NH2 3.02Å; E73-R75 IonicContact OE2-NE 3.48Å; E73-R75 IonicContact OE2-NH2 3.93Å; E73-R75 PolarHBondContact OE2-NH2 2.88Å; E73-R228 HydrophobicContact CB-CG 4.21Å
74N90.4Very high91.8Very high77 Ų7755.3 Ų55.341%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-102.9114.6171.4-17421.7000110.1S66 S67 E72S66-N74 VanDerWaalsContact CA-O 3.28Å; S66-N74 WeakPolarHBondContact CA-O 3.26Å; S67-N74 PolarHBondContact N-O 3.37Å; E72-N74 PolarHBondContact O-N 3.48Å; E72-N74 VanDerWaalsContact O-N 3.15Å
75R91.2Very high91.7Very high117 Ų11749.2 Ų49.244%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-91.1116-179.7-63.4179.8-179.2169.27.5110W64 V65 E73W64-R75 HydrophobicContact CE3-CB 4.08Å; W64-R75 HydrophobicContact CE3-CG 4.41Å; V65-R75 WeakPolarHBondContact O-CA 3.14Å; E73-R75 HydrophobicContact CG-CG 4.45Å; E73-R75 IonicContact OE1-CZ 3.27Å; E73-R75 IonicContact OE1-NE 3.01Å; E73-R75 PolarHBondContact OE1-NE 3Å; E73-R75 IonicContact OE1-NH2 2.81Å; E73-R75 PolarHBondContact OE1-NH2 3.02Å; E73-R75 IonicContact OE2-NE 3.48Å; E73-R75 IonicContact OE2-NH2 3.93Å; E73-R75 PolarHBondContact OE2-NH2 2.88Å
76V91.3Very high91.8Very high81 Ų8149.2 Ų49.249%0.49125%0.254SS..EExtended strand (participates in β ladder)trans-88.1-39.3-178.5178.80000111.8V65 S67 D208V65-V76 PolarHBondContact O-N 2.62Å; S67-V76 WeakPolarHBondContact OG-CG2 3.47Å; V76-D208 WeakPolarHBondContact CG2-OD2 3.44Å
77G91.5Very high91.8Very high28 Ų2855.2 Ų55.229%0.28928%0.276SS..EExtended strand (participates in β ladder)trans-170.7-178.7-175.700000114.1V65V65-G77 PolarHBondContact N-O 2.82Å
78L93.8Very high91.9Very high78 Ų7855.8 Ų55.841%0.40828%0.278SS..EExtended strand (participates in β ladder)trans-110.8133.4174.9-76.9165.8000109.4Q62 W64Q62-L78 HydrophobicContact CB-CD2 4.47Å; W64-L78 HydrophobicContact CD2-CD2 3.47Å; W64-L78 VanDerWaalsContact CD2-CD2 3.47Å; W64-L78 HydrophobicContact CD2-CG 4.13Å; W64-L78 HydrophobicContact CE3-CD2 3.6Å; W64-L78 HydrophobicContact CE3-CG 3.72Å; W64-L78 HydrophobicContact CG-CD2 4Å; W64-L78 HydrophobicContact CH2-CD1 3.92Å; W64-L78 HydrophobicContact CH2-CD2 4.06Å; W64-L78 HydrophobicContact CH2-CG 3.93Å; W64-L78 HydrophobicContact CZ2-CD1 4.32Å; W64-L78 HydrophobicContact CZ2-CD2 3.93Å; W64-L78 HydrophobicContact CZ2-CG 4.31Å; W64-L78 HydrophobicContact CZ3-CD1 4.09Å; W64-L78 HydrophobicContact CZ3-CD2 3.9Å; W64-L78 HydrophobicContact CZ3-CG 3.62Å
79V92.4Very high92.1Very high30 Ų3060.6 Ų60.618%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-116.1127.5176165.80000110.1Q62 A63 V65 L280Q62-V79 WeakPolarHBondContact CA-O 3.44Å; A63-V79 PolarHBondContact N-O 3.35Å; A63-V79 PolarHBondContact O-N 3.09Å; V65-V79 HydrophobicContact CG2-CB 3.87Å; V65-V79 HydrophobicContact CG2-CG2 3.29Å; V79-L280 HydrophobicContact CB-CD2 4.37Å; V79-L280 HydrophobicContact CG1-CD2 4.37Å; V79-L280 HydrophobicContact CG2-CD2 3.7Å
80P93.5Very high92.2Very high10 Ų1060.2 Ų60.27%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-69.7144.3171.434.3-38.4000110L44 S46 W49 I60L44-P80 HydrophobicContact CB-CG 4.11Å; L44-P80 HydrophobicContact CD1-CG 3.76Å; L44-P80 HydrophobicContact CD2-CG 3.57Å; L44-P80 HydrophobicContact CG-CG 3.95Å; S46-P80 VanDerWaalsContact OG-CG 3.29Å; S46-P80 WeakPolarHBondContact OG-CG 3.35Å; W49-P80 HydrophobicContact CH2-CB 4.14Å; W49-P80 HydrophobicContact CH2-CG 4.3Å; W49-P80 HydrophobicContact CZ3-CB 4.38Å; I60-P80 HydrophobicContact CG2-CB 3.77Å
81L93.5Very high92.4Very high0 Ų059.6 Ų59.60%030%0.304CS..  trans-117.1146.9177.2-64.7179.4000109.3W49 P61 A63 F86 L204 I206 V283W49-L81 VanDerWaalsContact CH2-C 3.44Å; P61-L81 HydrophobicContact CB-CB 4.31Å; P61-L81 VanDerWaalsContact CD-O 3.32Å; P61-L81 WeakPolarHBondContact CD-O 3.3Å; P61-L81 HydrophobicContact CG-CB 3.89Å; P61-L81 VanDerWaalsContact CG-O 3.3Å; P61-L81 WeakPolarHBondContact CG-O 3.44Å; P61-L81 PolarHBondContact O-N 2.78Å; A63-L81 HydrophobicContact CB-CD1 3.84Å; A63-L81 HydrophobicContact CB-CG 4.42Å; L81-F86 HydrophobicContact CB-CB 4.36Å; L81-F86 HydrophobicContact CB-CD2 3.59Å; L81-F86 HydrophobicContact CB-CE2 4Å; L81-F86 HydrophobicContact CB-CG 4.04Å; L81-F86 HydrophobicContact CD1-CD1 4.05Å; L81-F86 HydrophobicContact CD1-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CE1 4.21Å; L81-F86 HydrophobicContact CD1-CE2 4.29Å; L81-F86 HydrophobicContact CD1-CG 4.01Å; L81-F86 HydrophobicContact CD1-CZ 4.31Å; L81-F86 HydrophobicContact CD2-CD2 4.35Å; L81-F86 HydrophobicContact CD2-CE2 3.9Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CD2 4.26Å; L81-F86 HydrophobicContact CG-CE2 4.29Å; L81-L204 HydrophobicContact CD1-CD2 4.44Å; L81-I206 HydrophobicContact CD1-CD1 4.27Å; L81-I206 HydrophobicContact CD2-CD1 3.83Å; L81-I206 HydrophobicContact CG-CD1 4.44Å; L81-V283 HydrophobicContact CD2-CG1 3.57Å
82H93Very high92.7Very high3 Ų363.9 Ų63.91%0.01432%0.324CS..  trans-68.6126.1-178.1-165.3-70.9000111W49 D84 V85 F86 Q287 L291W49-H82 HydrophobicContact CD2-CB 4.46Å; W49-H82 AromaticContact CD2-CD2 3.5Å; W49-H82 VanDerWaalsContact CD2-CD2 3.5Å; W49-H82 AromaticContact CE2-CD2 3.99Å; W49-H82 HydrophobicContact CE3-CB 4.4Å; W49-H82 AromaticContact CE3-CD2 3.84Å; W49-H82 AromaticContact CG-CD2 3.57Å; W49-H82 HydrophobicContact CH2-CB 4.29Å; W49-H82 HydrophobicContact CZ2-CB 4.34Å; W49-H82 HydrophobicContact CZ3-CB 4.32Å; H82-D84 VanDerWaalsContact CE1-CG 3.49Å; H82-D84 IonicContact CE1-OD2 2.71Å; H82-D84 PolarHBondContact CE1-OD2 2.68Å; H82-D84 WeakPolarHBondContact ND1-CB 3.33Å; H82-D84 PolarHBondContact ND1-N 3.08Å; H82-D84 VanDerWaalsContact ND1-N 3.11Å; H82-D84 PolarHBondContact O-N 3.06Å; H82-V85 HydrophobicContact CB-CG2 4.29Å; H82-V85 PolarHBondContact O-N 3.07Å; H82-V85 VanDerWaalsContact O-N 3.1Å; H82-F86 PolarHBondContact O-N 2.9Å; H82-F86 VanDerWaalsContact O-N 3.1Å; H82-Q287 HydrophobicContact CB-CG 4.49Å; H82-Q287 VanDerWaalsContact CB-OE1 3.26Å; H82-L291 VanDerWaalsContact CD2-CD1 3.46Å; H82-L291 WeakPolarHBondContact CD2-CD1 3.43Å; H82-L291 VanDerWaalsContact CE1-CD2 3.49Å; H82-L291 WeakPolarHBondContact CE1-CD2 2.99Å
83P91.6Very high93Very high9 Ų961.7 Ų61.76%0.05832%0.317CS..Hα-helixtrans-60.8-39-176.622.8-33.3000112.8L51 L58 V85 F86 R87L51-P83 HydrophobicContact CD1-CG 4.33Å; L51-P83 HydrophobicContact CD2-CG 3.56Å; L58-P83 HydrophobicContact CD1-CG 4.21Å; L58-P83 HydrophobicContact CD2-CG 4.28Å; L58-P83 HydrophobicContact CG-CG 4.31Å; P83-V85 PolarHBondContact O-N 3.04Å; P83-V85 VanDerWaalsContact O-N 3.1Å; P83-F86 PolarHBondContact O-N 3.18Å; P83-R87 HydrophobicContact CB-CB 4.45Å; P83-R87 WeakPolarHBondContact O-CA 3.19Å; P83-R87 VanDerWaalsContact O-CB 3.3Å; P83-R87 WeakPolarHBondContact O-CB 3.33Å; P83-R87 PolarHBondContact O-N 2.97Å
84D91.2Very high93.4Very high67 Ų6758 Ų5836%0.35830%0.3SS..Hα-helixtrans-65.1-15.6178.5-60.4-9.5000114.8H82 V88 L291 L294H82-D84 VanDerWaalsContact CE1-CG 3.49Å; H82-D84 IonicContact CE1-OD2 2.71Å; H82-D84 PolarHBondContact CE1-OD2 2.68Å; H82-D84 WeakPolarHBondContact ND1-CB 3.33Å; H82-D84 PolarHBondContact ND1-N 3.08Å; H82-D84 VanDerWaalsContact ND1-N 3.11Å; H82-D84 PolarHBondContact O-N 3.06Å; D84-V88 WeakPolarHBondContact O-CG2 2.94Å; D84-L291 HydrophobicContact CB-CD2 4.48Å; D84-L294 HydrophobicContact CB-CD1 4.48Å
85V94.4Very high93.7Very high1 Ų155.1 Ų55.11%0.00629%0.285CS..Hα-helixtrans-99-43.3178.1-178.40000110.8H82 P83 L195 T196 I290 L291H82-V85 HydrophobicContact CB-CG2 4.29Å; H82-V85 PolarHBondContact O-N 3.07Å; H82-V85 VanDerWaalsContact O-N 3.1Å; P83-V85 PolarHBondContact O-N 3.04Å; P83-V85 VanDerWaalsContact O-N 3.1Å; V85-L195 HydrophobicContact CG1-CD1 3.69Å; V85-T196 PolarHBondContact O-OG1 2.91Å; V85-I290 HydrophobicContact CG1-CD1 3.82Å; V85-I290 HydrophobicContact CG1-CG2 4.49Å; V85-I290 HydrophobicContact CG2-CB 4.28Å; V85-I290 HydrophobicContact CG2-CG2 3.85Å; V85-L291 HydrophobicContact CG2-CD2 4.33Å; V85-L291 HydrophobicContact CG2-CG 4.42Å
86F95.7Very high94Very high5 Ų555.2 Ų55.22%0.02229%0.29CS..Hα-helixtrans-107.2-4.6-170.5-66.8-84000115.1P61 L81 H82 P83 L195 T196 H199 L204 Q287P61-F86 HydrophobicContact CG-CB 4.01Å; L81-F86 HydrophobicContact CB-CB 4.36Å; L81-F86 HydrophobicContact CB-CD2 3.59Å; L81-F86 HydrophobicContact CB-CE2 4Å; L81-F86 HydrophobicContact CB-CG 4.04Å; L81-F86 HydrophobicContact CD1-CD1 4.05Å; L81-F86 HydrophobicContact CD1-CD2 4.17Å; L81-F86 HydrophobicContact CD1-CE1 4.21Å; L81-F86 HydrophobicContact CD1-CE2 4.29Å; L81-F86 HydrophobicContact CD1-CG 4.01Å; L81-F86 HydrophobicContact CD1-CZ 4.31Å; L81-F86 HydrophobicContact CD2-CD2 4.35Å; L81-F86 HydrophobicContact CD2-CE2 3.9Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CD2 4.26Å; L81-F86 HydrophobicContact CG-CE2 4.29Å; H82-F86 PolarHBondContact O-N 2.9Å; H82-F86 VanDerWaalsContact O-N 3.1Å; P83-F86 PolarHBondContact O-N 3.18Å; F86-L195 HydrophobicContact CD1-CB 4.07Å; F86-L195 HydrophobicContact CE1-CB 3.95Å; F86-L195 HydrophobicContact CE1-CD2 4.19Å; F86-L195 HydrophobicContact CE1-CG 4.45Å; F86-T196 WeakPolarHBondContact CA-OG1 3.38Å; F86-T196 WeakPolarHBondContact O-CB 3.23Å; F86-T196 WeakPolarHBondContact O-CG2 3.32Å; F86-T196 PolarHBondContact O-OG1 3.42Å; F86-H199 HydrophobicContact CD1-CB 4.19Å; F86-L204 HydrophobicContact CD1-CD2 3.96Å; F86-L204 HydrophobicContact CE1-CD2 3.43Å; F86-L204 VanDerWaalsContact CE1-CD2 3.43Å; F86-L204 HydrophobicContact CZ-CD2 4.35Å; F86-Q287 HydrophobicContact CE2-CG 4Å
87R93.5Very high94.4Very high130 Ų13055 Ų5549%0.49128%0.283SS..SBendtrans-12134.4174.9-66.8-63.9-161.1-178.63112.2P61 P83P61-R87 HydrophobicContact CB-CG 4.18Å; P61-R87 HydrophobicContact CG-CG 3.82Å; P83-R87 HydrophobicContact CB-CB 4.45Å; P83-R87 WeakPolarHBondContact O-CA 3.19Å; P83-R87 VanDerWaalsContact O-CB 3.3Å; P83-R87 WeakPolarHBondContact O-CB 3.33Å; P83-R87 PolarHBondContact O-N 2.97Å
88V93.5Very high94.7Very high20 Ų2053.7 Ų53.712%0.12127%0.27CS..  trans-79.7135.5173.9-179.40000110.1D84 P90 Y189 C192 T193 T196D84-V88 WeakPolarHBondContact O-CG2 2.94Å; V88-P90 WeakPolarHBondContact O-CD 2.96Å; V88-P90 VanDerWaalsContact O-N 3.11Å; V88-Y189 HydrophobicContact CG1-CD2 3.94Å; V88-Y189 HydrophobicContact CG1-CE1 4.11Å; V88-Y189 HydrophobicContact CG1-CE2 3.29Å; V88-Y189 VanDerWaalsContact CG1-CZ 3.41Å; V88-C192 HydrophobicContact CB-CB 4.21Å; V88-C192 HydrophobicContact CG2-CB 3.67Å; V88-T193 HydrophobicContact CG1-CG2 3.88Å; V88-T196 PolarHBondContact N-OG1 3.04Å; V88-T196 VanDerWaalsContact N-OG1 3.11Å; V88-T196 WeakPolarHBondContact O-CG2 3.39Å
89V94Very high94.8Very high103 Ų10351.2 Ų51.262%0.62426%0.258SS*.  trans-52.8120176.7179.50000110.2R91 Y189 T193V89-R91 PolarHBondContact O-N 3.41Å; V89-Y189 PolarHBondContact O-OH 2.84Å; V89-T193 WeakPolarHBondContact O-CG2 3.37Å
90P93.2Very high95.1Very high80 Ų8051.8 Ų51.852%0.51926%0.261SS..  trans-70.6108-174.827.5-34.4000110.5V88 V197V88-P90 WeakPolarHBondContact O-CD 2.96Å; V88-P90 VanDerWaalsContact O-N 3.11Å; P90-V197 HydrophobicContact CB-CG2 3.61Å
91R95Very high95.3Very high121 Ų12153.2 Ų53.246%0.45727%0.266SS..  trans-107.7105.5177.1-65.1-177.361.8-175.40.6111.1V89 D93 I94 L95 Y189V89-R91 PolarHBondContact O-N 3.41Å; R91-D93 PolarHBondContact O-N 3Å; R91-I94 HydrophobicContact CB-CB 4.46Å; R91-I94 HydrophobicContact CB-CD1 4.17Å; R91-I94 HydrophobicContact CB-CG1 4.37Å; R91-I94 PolarHBondContact O-N 3.18Å; R91-I94 VanDerWaalsContact O-N 3.14Å; R91-L95 PolarHBondContact O-N 2.75Å; R91-Y189 HydrophobicContact CB-CE1 4.04Å; R91-Y189 WeakPolarHBondContact CD-OH 3.18Å; R91-Y189 HydrophobicContact CG-CE1 4.01Å
92I95.5Very high95.4Very high138 Ų13854.8 Ų54.871%0.70827%0.273SS*.Hα-helixtrans-58.3-37.4-179.6-57.7171.4000111.4I94 L95 H96I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 PolarHBondContact O-N 2.81Å; I92-L95 PolarHBondContact O-N 2.89Å; I92-H96 WeakPolarHBondContact O-CB 3.49Å; I92-H96 PolarHBondContact O-N 3.46Å
93D97.6Very high95.5Very high105 Ų10557.8 Ų57.856%0.56129%0.289SS*.Hα-helixtrans-58.8-38.6179.5-58.1-31.2000112.6R91 Q97R91-D93 PolarHBondContact O-N 3Å; D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.41Å; D93-Q97 PolarHBondContact O-N 3.07Å
94I96.6Very high95.7Very high14 Ų1459.2 Ų59.27%0.07230%0.296CS..Hα-helixtrans-77.8-37.6-177.7-66171.7000110.7R91 I92 H96 Q97 N98 I186 Y189R91-I94 HydrophobicContact CB-CB 4.46Å; R91-I94 HydrophobicContact CB-CD1 4.17Å; R91-I94 HydrophobicContact CB-CG1 4.37Å; R91-I94 PolarHBondContact O-N 3.18Å; R91-I94 VanDerWaalsContact O-N 3.14Å; I92-I94 VanDerWaalsContact C-N 3.27Å; I92-I94 PolarHBondContact O-N 2.81Å; I94-H96 VanDerWaalsContact C-N 3.33Å; I94-Q97 PolarHBondContact O-N 2.7Å; I94-N98 PolarHBondContact O-N 3.16Å; I94-N98 PolarHBondContact O-ND2 3.37Å; I94-I186 HydrophobicContact CG2-CG2 3.85Å; I94-I186 WeakPolarHBondContact CG2-O 3.49Å; I94-Y189 HydrophobicContact CB-CD1 4.08Å; I94-Y189 HydrophobicContact CD1-CD1 3.23Å; I94-Y189 HydrophobicContact CD1-CE1 3.41Å; I94-Y189 VanDerWaalsContact CD1-CE1 3.41Å; I94-Y189 HydrophobicContact CD1-CG 4.13Å; I94-Y189 HydrophobicContact CG1-CD1 4.22Å; I94-Y189 HydrophobicContact CG2-CD1 3.79Å
95L96.2Very high95.8Very high17 Ų1762.7 Ų62.79%0.08931%0.305CS..Hα-helixtrans-58.4-47.3169.6-73177.4000111R91 I92 Q97 N98 V99 G190 T193 A194R91-L95 PolarHBondContact O-N 2.75Å; I92-L95 PolarHBondContact O-N 2.89Å; L95-Q97 PolarHBondContact O-N 3Å; L95-N98 PolarHBondContact O-N 3.48Å; L95-V99 WeakPolarHBondContact O-CG2 3.16Å; L95-V99 PolarHBondContact O-N 3.47Å; L95-G190 VanDerWaalsContact CD2-O 3.24Å; L95-G190 WeakPolarHBondContact CD2-O 3.5Å; L95-T193 WeakPolarHBondContact CD2-OG1 3.4Å; L95-A194 HydrophobicContact CD2-CB 3.73Å
96H97.9Very high95.7Very high119 Ų11969.7 Ų69.755%0.55133%0.331SS*.Hα-helixtrans-60.4-45.5177.1176.9-101.3000112I92 I94 N98 V99 V100I92-H96 WeakPolarHBondContact O-CB 3.49Å; I92-H96 PolarHBondContact O-N 3.46Å; I94-H96 VanDerWaalsContact C-N 3.33Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.41Å; H96-V99 PolarHBondContact O-N 3.43Å; H96-V100 WeakPolarHBondContact NE2-CG2 3.49Å; H96-V100 WeakPolarHBondContact O-CB 3.37Å; H96-V100 VanDerWaalsContact O-CG2 3.3Å; H96-V100 WeakPolarHBondContact O-CG2 3.31Å; H96-V100 PolarHBondContact O-N 2.89Å
97Q97.9Very high95.5Very high76 Ų7670.9 Ų70.936%0.35534%0.34SS..Hα-helixtrans-58.8-40.5176.5-76.417729.800112.6D93 I94 L95 W101D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.41Å; D93-Q97 PolarHBondContact O-N 3.07Å; I94-Q97 PolarHBondContact O-N 2.7Å; L95-Q97 PolarHBondContact O-N 3Å; Q97-W101 WeakPolarHBondContact O-CB 3.37Å; Q97-W101 PolarHBondContact O-N 3.24Å
98N97.7Very high95.5Very high1 Ų167.6 Ų67.61%0.00534%0.335CS..Hα-helixtrans-66.4-45.7177-85.8-75.8000112.5I94 L95 H96 W101 Q102 L182 I186 R187 G190 C267I94-N98 PolarHBondContact O-N 3.16Å; I94-N98 PolarHBondContact O-ND2 3.37Å; L95-N98 PolarHBondContact O-N 3.48Å; H96-N98 VanDerWaalsContact C-N 3.3Å; H96-N98 PolarHBondContact O-N 3.41Å; N98-W101 PolarHBondContact O-N 3.42Å; N98-Q102 VanDerWaalsContact O-CG 3.31Å; N98-Q102 WeakPolarHBondContact O-CG 3.23Å; N98-Q102 PolarHBondContact O-N 3.29Å; N98-L182 WeakPolarHBondContact OD1-CD2 3.33Å; N98-I186 PolarHBondContact ND2-O 3.25Å; N98-R187 VanDerWaalsContact OD1-CA 3.29Å; N98-R187 WeakPolarHBondContact OD1-CA 3.29Å; N98-G190 WeakPolarHBondContact ND2-CA 3.38Å; N98-C267 HydrophobicContact CB-CB 4.13Å
99V97.7Very high95.2Very high27 Ų2768.4 Ų68.416%0.16434%0.341CS..Hα-helixtrans-63.5-47177.81700000111L95 H96 W101 Q102 L103 F268 L271L95-V99 WeakPolarHBondContact O-CG2 3.16Å; L95-V99 PolarHBondContact O-N 3.47Å; H96-V99 PolarHBondContact O-N 3.43Å; V99-W101 VanDerWaalsContact C-N 3.31Å; V99-W101 PolarHBondContact O-N 3.3Å; V99-Q102 PolarHBondContact O-N 3.29Å; V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.47Å; V99-F268 HydrophobicContact CG1-CD2 4.22Å; V99-L271 HydrophobicContact CG2-CD1 3.63Å
100V97.9Very high94.9Very high41 Ų4171 Ų7125%0.24834%0.344CS..Hα-helixtrans-62-41.3177.5169.70000111H96 L103 N104H96-V100 WeakPolarHBondContact NE2-CG2 3.49Å; H96-V100 WeakPolarHBondContact O-CB 3.37Å; H96-V100 VanDerWaalsContact O-CG2 3.3Å; H96-V100 WeakPolarHBondContact O-CG2 3.31Å; H96-V100 PolarHBondContact O-N 2.89Å; V100-L103 PolarHBondContact O-N 2.99Å; V100-N104 VanDerWaalsContact CG1-ND2 3.3Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.28Å; V100-N104 VanDerWaalsContact O-CB 3.29Å; V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.34Å; V100-N104 PolarHBondContact O-ND2 3.35Å; V100-N104 VanDerWaalsContact O-ND2 3.13Å
101W97Very high94.6Very high41 Ų4171.3 Ų71.316%0.15534%0.344CS..Hα-helixtrans-59.1-49.2174.5166.662.6000111.4Q97 N98 V99 L103 N104 Y105 Y180 L182 R187Q97-W101 WeakPolarHBondContact O-CB 3.37Å; Q97-W101 PolarHBondContact O-N 3.24Å; N98-W101 PolarHBondContact O-N 3.42Å; V99-W101 VanDerWaalsContact C-N 3.31Å; V99-W101 PolarHBondContact O-N 3.3Å; W101-L103 PolarHBondContact O-N 3.44Å; W101-N104 PolarHBondContact O-N 3.33Å; W101-Y105 WeakPolarHBondContact O-CB 3.32Å; W101-Y105 PolarHBondContact O-N 3.22Å; W101-Y180 WeakPolarHBondContact CA-OH 3.25Å; W101-Y180 HydrophobicContact CB-CE2 4.18Å; W101-Y180 AromaticContact CD1-CE2 3.95Å; W101-Y180 HydrophobicContact CG-CE2 4.41Å; W101-Y180 PolarHBondContact NE1-O 3.14Å; W101-L182 HydrophobicContact CB-CB 4.26Å; W101-L182 HydrophobicContact CB-CD2 4.08Å; W101-L182 HydrophobicContact CD2-CB 3.84Å; W101-L182 HydrophobicContact CD2-CD2 4.31Å; W101-L182 HydrophobicContact CE3-CB 4.42Å; W101-L182 HydrophobicContact CE3-CD2 4.25Å; W101-L182 HydrophobicContact CG-CB 3.7Å; W101-L182 HydrophobicContact CG-CD2 4.23Å; W101-R187 HydrophobicContact CE3-CG 4.14Å; W101-R187 HydrophobicContact CH2-CG 4.3Å; W101-R187 VanDerWaalsContact CZ3-CD 3.42Å; W101-R187 HydrophobicContact CZ3-CG 3.9Å
102Q96.2Very high94Very high32 Ų3270.5 Ų70.515%0.1534%0.344CS..Hα-helixtrans-63.5-40.9178.8-72.3167.5-800112.7N98 V99 Y105 R106N98-Q102 VanDerWaalsContact O-CG 3.31Å; N98-Q102 WeakPolarHBondContact O-CG 3.23Å; N98-Q102 PolarHBondContact O-N 3.29Å; V99-Q102 PolarHBondContact O-N 3.29Å; Q102-Y105 PolarHBondContact O-N 2.94Å; Q102-R106 PolarHBondContact O-N 2.89Å
103L96.2Very high93.4Very high67 Ų6764.4 Ų64.435%0.35131%0.314SS..Hα-helixtrans-65.4-39.5175.3-72173.4000112.1V99 V100 W101 R106 S107 F268V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CB 3.34Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 3.47Å; V100-L103 PolarHBondContact O-N 2.99Å; W101-L103 PolarHBondContact O-N 3.44Å; L103-R106 WeakPolarHBondContact O-CG 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.32Å; L103-S107 PolarHBondContact O-N 2.93Å; L103-F268 HydrophobicContact CD2-CD2 4.28Å; L103-F268 HydrophobicContact CD2-CE2 3.85Å; L103-F268 HydrophobicContact CG-CE2 4.49Å
104N95.5Very high92.7Very high39 Ų3963 Ų6321%0.20931%0.306CS..Hα-helixtrans-73.3-32.6176.8-78.3-38.3000112.3V100 W101 S107 R178 F179 Y180V100-N104 VanDerWaalsContact CG1-ND2 3.3Å; V100-N104 WeakPolarHBondContact CG1-ND2 3.28Å; V100-N104 VanDerWaalsContact O-CB 3.29Å; V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.34Å; V100-N104 PolarHBondContact O-ND2 3.35Å; V100-N104 VanDerWaalsContact O-ND2 3.13Å; W101-N104 PolarHBondContact O-N 3.33Å; N104-S107 PolarHBondContact O-N 3.47Å; N104-S107 VanDerWaalsContact O-N 3.12Å; N104-R178 HydrophobicContact CB-CB 4.28Å; N104-R178 CarbonylContact O-C 3.57Å; N104-F179 PolarHBondContact O-N 3.39Å; N104-Y180 HydrophobicContact CB-CE1 4.14Å
105Y93.6Very high92.2Very high140 Ų14064 Ų6455%0.54931%0.313SS..Hα-helixtrans-61.4-43.2175.7-163.8-83.5000111.6W101 Q102 S107 F179W101-Y105 WeakPolarHBondContact O-CB 3.32Å; W101-Y105 PolarHBondContact O-N 3.22Å; Q102-Y105 PolarHBondContact O-N 2.94Å; Y105-S107 PolarHBondContact O-N 2.99Å; Y105-F179 HydrophobicContact CD2-CB 3.88Å; Y105-F179 HydrophobicContact CE2-CB 4.38Å; Y105-F179 HydrophobicContact CG-CB 4.33Å
106R90.7Very high91.5Very high147 Ų14769.3 Ų69.356%0.55533%0.332SS*.THydrogen-bonded Turntrans-71.8-13.7176.186.4171.774.6142.92.1113.9Q102 L103 F268Q102-R106 PolarHBondContact O-N 2.89Å; L103-R106 WeakPolarHBondContact O-CG 3.3Å; R106-F268 VanDerWaalsContact NH2-CE1 3.26Å; R106-F268 VanDerWaalsContact NH2-CZ 3.32Å
107S92.2Very high90.8Very high30 Ų3066.4 Ų66.421%0.2133%0.334CS..  trans-101.8125.7-164.3-153.70000114.2L103 N104 Y105 R178L103-S107 WeakPolarHBondContact O-CB 3.32Å; L103-S107 PolarHBondContact O-N 2.93Å; N104-S107 PolarHBondContact O-N 3.47Å; N104-S107 VanDerWaalsContact O-N 3.12Å; Y105-S107 PolarHBondContact O-N 2.99Å; S107-R178 PolarHBondContact O-N 3.45Å; S107-R178 PolarHBondContact OG-NH1 2.97Å; S107-R178 PolarHBondContact OG-NH2 3.33Å
108V92.7Very high90.1Very high62 Ų6266.8 Ų66.838%0.37634%0.336SS..EExtended strand (participates in β ladder)trans-119.4127.9176.3-175.30000108.4F110 T177V108-F110 HydrophobicContact CB-CE2 3.92Å; V108-F110 HydrophobicContact CB-CZ 4.27Å; V108-F110 HydrophobicContact CG1-CD2 4.22Å; V108-F110 HydrophobicContact CG1-CE1 4.2Å; V108-F110 HydrophobicContact CG1-CE2 3.73Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; V108-T177 HydrophobicContact CG2-CG2 4.44Å
109S88.6Confident89.3Confident36 Ų3667.7 Ų67.725%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-94.9111175179.10000109.4V111 P175 R176S109-V111 PolarHBondContact O-N 3.49Å; S109-V111 WeakPolarHBondContact OG-CG2 3.46Å; S109-P175 CarbonylContact O-C 3.4Å; S109-P175 WeakPolarHBondContact O-CA 3.48Å; S109-R176 PolarHBondContact N-O 2.65Å; S109-R176 PolarHBondContact O-N 2.88Å
110F86.8Confident88.1Confident159 Ų15970.9 Ų70.970%0.69736%0.362SS*.  trans-86.511.7175.1-68.2-82.7000113.6V108 K112 P175V108-F110 HydrophobicContact CB-CE2 3.92Å; V108-F110 HydrophobicContact CB-CZ 4.27Å; V108-F110 HydrophobicContact CG1-CD2 4.22Å; V108-F110 HydrophobicContact CG1-CE1 4.2Å; V108-F110 HydrophobicContact CG1-CE2 3.73Å; V108-F110 HydrophobicContact CG1-CZ 3.72Å; F110-K112 PolarHBondContact O-N 3.01Å; F110-P175 HydrophobicContact CD1-CB 3.94Å; F110-P175 HydrophobicContact CE1-CB 4.14Å
111V86.2Confident86.9Confident86 Ų8670.4 Ų70.452%0.52137%0.365SS..  trans-69.1122.5-175.2-172.70000109.8S109 P172S109-V111 PolarHBondContact O-N 3.49Å; S109-V111 WeakPolarHBondContact OG-CG2 3.46Å; V111-P172 HydrophobicContact CB-CB 4.4Å; V111-P172 HydrophobicContact CB-CG 4.24Å; V111-P172 HydrophobicContact CG1-CB 4.24Å; V111-P172 HydrophobicContact CG1-CG 3.54Å; V111-P172 WeakPolarHBondContact O-CB 3.3Å
112K82.6Confident85.6Confident104 Ų10470.5 Ų70.545%0.45238%0.378SS..BIsolated β-bridgetrans-126.3123.4173.3-175.7-176.5172.787.80109.3F110 E118F110-K112 PolarHBondContact O-N 3.01Å; K112-E118 VanDerWaalsContact CE-OE1 3.26Å; K112-E118 WeakPolarHBondContact CE-OE1 3.48Å; K112-E118 IonicContact NZ-OE1 2.71Å; K112-E118 PolarHBondContact NZ-OE1 2.93Å
113A84Confident84.3Confident10 Ų1072 Ų728%0.08340%0.403CS..PPolyproline II helixtrans-97.3127.2168.800000108.7T115 I168 P172A113-T115 PolarHBondContact O-N 2.88Å; A113-I168 HydrophobicContact CB-CB 4.12Å; A113-I168 HydrophobicContact CB-CD1 3.94Å; A113-I168 HydrophobicContact CB-CG2 4.24Å; A113-P172 HydrophobicContact CB-CG 3.99Å; A113-P172 PolarHBondContact N-O 3.07Å
114L83.1Confident83.4Confident74 Ų7479 Ų7939%0.38742%0.424SS..PPolyproline II helixtrans-70.8127.1-178.7-63.3178.9000110.6E118 M119 I168L114-E118 HydrophobicContact CB-CB 4.42Å; L114-E118 HydrophobicContact CD2-CB 4.08Å; L114-M119 HydrophobicContact CB-CG 4.02Å; L114-M119 HydrophobicContact CB-SD 3.31Å; L114-M119 WeakPolarHBondContact CB-SD 3.19Å; L114-M119 HydrophobicContact CD1-SD 3.65Å; L114-M119 HydrophobicContact CG-SD 4.12Å; L114-I168 PolarHBondContact O-N 2.98Å
115T86.2Confident82.9Confident35 Ų3580.4 Ų80.422%0.21543%0.429CS..PPolyproline II helixtrans-77.8161176.5-39.10000109.7A113 G117 E118 M119 R173A113-T115 PolarHBondContact O-N 2.88Å; T115-G117 PolarHBondContact O-N 2.9Å; T115-E118 WeakPolarHBondContact CB-OE2 3.24Å; T115-E118 PolarHBondContact N-OE2 2.84Å; T115-E118 PolarHBondContact O-N 3.22Å; T115-E118 PolarHBondContact OG1-OE2 2.97Å; T115-M119 WeakPolarHBondContact O-CG 3.38Å; T115-M119 PolarHBondContact O-N 3.27Å; T115-R173 VanDerWaalsContact OG1-CZ 3.3Å; T115-R173 PolarHBondContact OG1-NE 3.2Å; T115-R173 PolarHBondContact OG1-NH2 3.21Å
116R81.3Confident82.3Confident130 Ų13075.8 Ų75.849%0.49142%0.416SS..THydrogen-bonded Turntrans-52-26174.665.4177.9-71.4-171.6-4.5114.7R141R116-R141 HydrophobicContact CB-CB 4.27Å; R116-R141 WeakPolarHBondContact CB-O 3.33Å; R116-R141 WeakPolarHBondContact O-CD 3.44Å; R116-R141 PolarHBondContact O-NH1 2.66Å
117G83Confident82.1Confident58 Ų5871.3 Ų71.360%0.59840%0.399SS*.THydrogen-bonded Turntrans-75.5-36175.500000113.5T115 R141T115-G117 PolarHBondContact O-N 2.9Å; G117-R141 PolarHBondContact O-NH1 3.04Å; G117-R141 VanDerWaalsContact O-NH1 3.11Å
118E83.9Confident81.9Confident84 Ų8474.1 Ų74.139%0.39342%0.417SS..THydrogen-bonded Turntrans-88-23.9-176.3-59.3166.6137.600112.3K112 L114 T115K112-E118 VanDerWaalsContact CE-OE1 3.26Å; K112-E118 WeakPolarHBondContact CE-OE1 3.48Å; K112-E118 IonicContact NZ-OE1 2.71Å; K112-E118 PolarHBondContact NZ-OE1 2.93Å; L114-E118 HydrophobicContact CB-CB 4.42Å; L114-E118 HydrophobicContact CD2-CB 4.08Å; T115-E118 WeakPolarHBondContact CB-OE2 3.24Å; T115-E118 PolarHBondContact N-OE2 2.84Å; T115-E118 PolarHBondContact O-N 3.22Å; T115-E118 PolarHBondContact OG1-OE2 2.97Å
119M80Confident81.7Confident20 Ų2075.9 Ų75.910%0.09942%0.421CS..SBendtrans-60.2138.1178.2-75.7-58.5-74.800111.9L114 T115 R141 I165L114-M119 HydrophobicContact CB-CG 4.02Å; L114-M119 HydrophobicContact CB-SD 3.31Å; L114-M119 WeakPolarHBondContact CB-SD 3.19Å; L114-M119 HydrophobicContact CD1-SD 3.65Å; L114-M119 HydrophobicContact CG-SD 4.12Å; T115-M119 WeakPolarHBondContact O-CG 3.38Å; T115-M119 PolarHBondContact O-N 3.27Å; M119-R141 HydrophobicContact CB-CG 4.48Å; M119-R141 WeakPolarHBondContact O-CD 3.03Å; M119-R141 PolarHBondContact O-NE 2.77Å; M119-R141 VanDerWaalsContact O-NE 3.1Å; M119-R141 PolarHBondContact O-NH1 2.96Å; M119-I165 HydrophobicContact CE-CB 3.43Å; M119-I165 VanDerWaalsContact CE-CB 3.43Å; M119-I165 HydrophobicContact CE-CG2 3.75Å; M119-I165 WeakPolarHBondContact CE-O 3.16Å
120P72.2Confident81.7Confident94 Ų9482 Ų8261%0.6144%0.442SS*.SBendtrans-67.1156.617228.3-33000111.6
121G72.2Confident81.9Confident31 Ų3178.4 Ų78.432%0.3245%0.451SS..SBendtrans117.8160.1-175.200000112R141G121-R141 PolarHBondContact O-NE 2.97Å; G121-R141 PolarHBondContact O-NH2 3.36Å
122G70Confident81.9Confident42 Ų4278.7 Ų78.743%0.43345%0.449SS..  trans-72.2152.1-177.500000114.4R124G122-R124 PolarHBondContact O-N 3.01Å
123G69.8Low82.1Confident64 Ų6478 Ų7866%0.6647%0.471SS*.SBendtrans-75.31.4166.400000113.8
124R76.1Confident82.1Confident213 Ų21383.8 Ų83.880%0.80449%0.494SS*.SBendtrans-69.4137.4-179.3-174178.8174.6-175.90.4110.8G122G122-R124 PolarHBondContact O-N 3.01Å
125K85.9Confident82.2Confident70 Ų7083.4 Ų83.430%0.30450%0.501SS..  trans-60.9134.2172.7-165.4-179.9-179.2-179.40110.7W127 Q129 H137K125-W127 VanDerWaalsContact C-N 3.26Å; K125-W127 WeakPolarHBondContact CD-O 3.22Å; K125-W127 WeakPolarHBondContact CE-O 3.34Å; K125-W127 VanDerWaalsContact CG-O 3.31Å; K125-W127 WeakPolarHBondContact CG-O 3.19Å; K125-W127 PolarHBondContact O-N 3.29Å; K125-Q129 VanDerWaalsContact NZ-CA 3.28Å; K125-H137 WeakPolarHBondContact CE-O 3.43Å; K125-H137 WeakPolarHBondContact CG-O 3.47Å
126P81.7Confident82.2Confident42 Ų4289.8 Ų89.827%0.27352%0.522SS..SBendtrans-58.7-36-178.4-2331.1000113.7H137 I140 W145P126-H137 HydrophobicContact CG-CB 4.08Å; P126-I140 HydrophobicContact CB-CG2 4.18Å; P126-I140 HydrophobicContact CG-CG2 3.64Å; P126-W145 HydrophobicContact CG-CZ2 4.38Å
127W86.1Confident82.4Confident54 Ų5485.5 Ų85.521%0.20551%0.507CS..SBendtrans-160.4165.8-179.452.980.6000112.9K125 L132 K134 A135 H137 W145K125-W127 VanDerWaalsContact C-N 3.26Å; K125-W127 WeakPolarHBondContact CD-O 3.22Å; K125-W127 WeakPolarHBondContact CE-O 3.34Å; K125-W127 VanDerWaalsContact CG-O 3.31Å; K125-W127 WeakPolarHBondContact CG-O 3.19Å; K125-W127 PolarHBondContact O-N 3.29Å; W127-L132 HydrophobicContact CB-CD1 3.5Å; W127-L132 HydrophobicContact CG-CD1 3.98Å; W127-K134 HydrophobicContact CD2-CD 4.24Å; W127-K134 HydrophobicContact CE3-CD 4.38Å; W127-K134 HydrophobicContact CZ2-CB 3.93Å; W127-K134 HydrophobicContact CZ2-CD 4.35Å; W127-A135 VanDerWaalsContact CE2-O 3.28Å; W127-A135 WeakPolarHBondContact CZ2-O 3.43Å; W127-A135 PolarHBondContact NE1-O 3.45Å; W127-H137 AromaticContact CH2-CD2 3.63Å; W127-H137 AromaticContact CZ2-CD2 3.43Å; W127-H137 VanDerWaalsContact CZ2-CD2 3.43Å; W127-H137 WeakPolarHBondContact CZ2-CD2 3.48Å; W127-W145 AromaticContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CZ2 4.22Å; W127-W145 HydrophobicContact CZ3-CH2 4.15Å
128P87.7Confident82.4Confident89 Ų8985.4 Ų85.458%0.57851%0.506SS*.  trans-55.3158.8177.6-27.135.8000114.5K130P128-K130 VanDerWaalsContact C-N 3.27Å; P128-K130 PolarHBondContact O-N 3.01Å
129Q87.5Confident82.3Confident98 Ų9881.9 Ų81.946%0.45849%0.49SS..SBendtrans-67-25.5-175.9-173.664.6-1.400114K125K125-Q129 VanDerWaalsContact NZ-CA 3.28Å
130K89.6Confident82.2Confident164 Ų16483.1 Ų83.171%0.71350%0.497SS*.SBendtrans-146.4166.6-174-58.5-177.1-177.1178.70109.4P128P128-K130 VanDerWaalsContact C-N 3.27Å; P128-K130 PolarHBondContact O-N 3.01Å
131G90.1Very high82.6Confident84 Ų8481.1 Ų81.187%0.86648%0.477SS*.SBendtrans97-22.6174.700000115.9
132L86.6Confident83Confident93 Ų9380.5 Ų80.549%0.48747%0.468SS..SBendtrans-99.9-5.9-175.7-72.5170.4000115.6W127 K134W127-L132 HydrophobicContact CB-CD1 3.5Å; W127-L132 HydrophobicContact CG-CD1 3.98Å; L132-K134 HydrophobicContact CB-CB 4.49Å; L132-K134 HydrophobicContact CB-CG 4.33Å; L132-K134 PolarHBondContact O-N 3.33Å
133G87.7Confident83.5Confident88 Ų8881.3 Ų81.391%0.90747%0.466SS*.  trans63.80.8-173.500000115.5
134K84.6Confident84.2Confident133 Ų13383.8 Ų83.858%0.57846%0.463SS*.PPolyproline II helixtrans-82.6156.8179-66.2-176178.5-177.30112.2W127 L132W127-K134 HydrophobicContact CD2-CD 4.24Å; W127-K134 HydrophobicContact CE3-CD 4.38Å; W127-K134 HydrophobicContact CZ2-CB 3.93Å; W127-K134 HydrophobicContact CZ2-CD 4.35Å; L132-K134 HydrophobicContact CB-CB 4.49Å; L132-K134 HydrophobicContact CB-CG 4.33Å; L132-K134 PolarHBondContact O-N 3.33Å
135A84.2Confident84.2Confident65 Ų6577.6 Ų77.654%0.53744%0.44SS..PPolyproline II helixtrans-54.3150.1171.800000112.1W127W127-A135 VanDerWaalsContact CE2-O 3.28Å; W127-A135 WeakPolarHBondContact CZ2-O 3.43Å; W127-A135 PolarHBondContact NE1-O 3.45Å
136R85.8Confident83.1Confident170 Ų17081.7 Ų81.764%0.64246%0.463SS*.PPolyproline II helixtrans-80.9121.6-179.6-68.6177.9175.6145.75.9110.6
137H86.1Confident81.8Confident39 Ų3987.6 Ų87.618%0.18148%0.48CS..  trans-130.3136.9172.4-66.5-51.1000111.6K125 P126 W127 W145K125-H137 WeakPolarHBondContact CE-O 3.43Å; K125-H137 WeakPolarHBondContact CG-O 3.47Å; P126-H137 HydrophobicContact CG-CB 4.08Å; W127-H137 AromaticContact CH2-CD2 3.63Å; W127-H137 AromaticContact CZ2-CD2 3.43Å; W127-H137 VanDerWaalsContact CZ2-CD2 3.43Å; W127-H137 WeakPolarHBondContact CZ2-CD2 3.48Å; H137-W145 HydrophobicContact CB-CZ2 4.34Å; H137-W145 AromaticContact CD2-CZ2 3.5Å; H137-W145 AromaticContact CG-CZ2 3.93Å
138G83.7Confident80.3Confident56 Ų5685.8 Ų85.858%0.57748%0.478SS*.SBendtrans-86.4-29.2175.300000113.6
139S79.9Confident78.4Confident10 Ų1092 Ų927%0.0749%0.49CS..  trans-155.9147.9-177.4177.50000110.9R141 S142 W145S139-R141 PolarHBondContact O-N 3.42Å; S139-R141 PolarHBondContact OG-N 2.85Å; S139-R141 VanDerWaalsContact OG-N 3.07Å; S139-S142 PolarHBondContact O-N 3.34Å; S139-W145 PolarHBondContact O-NE1 3.03Å; S139-W145 VanDerWaalsContact O-NE1 3.14Å
140I78.1Confident76.6Confident46 Ų4694.9 Ų94.924%0.23650%0.504CS..THydrogen-bonded Turntrans-68.3-19.7168.961.2-170.5000112.8P126 S142 C164P126-I140 HydrophobicContact CB-CG2 4.18Å; P126-I140 HydrophobicContact CG-CG2 3.64Å; I140-S142 PolarHBondContact O-N 2.9Å; I140-C164 HydrophobicContact CB-CB 4.21Å; I140-C164 HydrophobicContact CD1-CB 3.7Å; I140-C164 WeakPolarHBondContact CD1-SG 3.15Å; I140-C164 HydrophobicContact CG1-CB 3.84Å
141R81.3Confident74.7Confident52 Ų5288.5 Ų88.520%0.19648%0.482CS..THydrogen-bonded Turntrans-83.76.2178.8-53-177-168.4172-6.3113.2R116 G117 M119 G121 S139 G167R116-R141 HydrophobicContact CB-CB 4.27Å; R116-R141 WeakPolarHBondContact CB-O 3.33Å; R116-R141 WeakPolarHBondContact O-CD 3.44Å; R116-R141 PolarHBondContact O-NH1 2.66Å; G117-R141 PolarHBondContact O-NH1 3.04Å; G117-R141 VanDerWaalsContact O-NH1 3.11Å; M119-R141 HydrophobicContact CB-CG 4.48Å; M119-R141 WeakPolarHBondContact O-CD 3.03Å; M119-R141 PolarHBondContact O-NE 2.77Å; M119-R141 VanDerWaalsContact O-NE 3.1Å; M119-R141 PolarHBondContact O-NH1 2.96Å; G121-R141 PolarHBondContact O-NE 2.97Å; G121-R141 PolarHBondContact O-NH2 3.36Å; S139-R141 PolarHBondContact O-N 3.42Å; S139-R141 PolarHBondContact OG-N 2.85Å; S139-R141 VanDerWaalsContact OG-N 3.07Å; R141-G167 PolarHBondContact O-N 3.48Å
142S81.6Confident72.7Confident18 Ų1891.3 Ų91.313%0.12647%0.472CS..SBendtrans-62.8140.7179.5176.20000110.8S139 I140 I144 W145 G166S139-S142 PolarHBondContact O-N 3.34Å; I140-S142 PolarHBondContact O-N 2.9Å; S142-I144 PolarHBondContact O-N 3.12Å; S142-I144 PolarHBondContact OG-N 3.11Å; S142-W145 VanDerWaalsContact O-CD1 3.31Å; S142-W145 PolarHBondContact O-N 3.17Å; S142-G166 WeakPolarHBondContact O-CA 3.46Å
143P80.5Confident71Confident59 Ų5997.9 Ų97.938%0.38349%0.49SS..THydrogen-bonded Turntrans-55.8-20.5175.418.7-31.4000114.4W145 G167P143-W145 PolarHBondContact O-N 3.43Å; P143-G167 WeakPolarHBondContact CA-O 3.34Å; P143-G167 WeakPolarHBondContact CB-O 3.32Å
144I83Confident69.3Low117 Ų11799.6 Ų99.660%0.647%0.473SS*.THydrogen-bonded Turntrans-63.4-25.3177.2-60.9171.2000111.3S142 I146S142-I144 PolarHBondContact O-N 3.12Å; S142-I144 PolarHBondContact OG-N 3.11Å; I144-I146 PolarHBondContact O-N 3.49Å; I144-I146 VanDerWaalsContact O-N 3.12Å
145W77Confident67.9Low83 Ų8399.6 Ų99.631%0.31448%0.479SS..  trans-79.496178-61.193.2000110.3P126 W127 H137 S139 S142 P143 R147 G166P126-W145 HydrophobicContact CG-CZ2 4.38Å; W127-W145 AromaticContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CH2 3.87Å; W127-W145 HydrophobicContact CH2-CZ2 4.22Å; W127-W145 HydrophobicContact CZ3-CH2 4.15Å; H137-W145 HydrophobicContact CB-CZ2 4.34Å; H137-W145 AromaticContact CD2-CZ2 3.5Å; H137-W145 AromaticContact CG-CZ2 3.93Å; S139-W145 PolarHBondContact O-NE1 3.03Å; S139-W145 VanDerWaalsContact O-NE1 3.14Å; S142-W145 VanDerWaalsContact O-CD1 3.31Å; S142-W145 PolarHBondContact O-N 3.17Å; P143-W145 PolarHBondContact O-N 3.43Å; W145-R147 PolarHBondContact O-N 3.47Å; W145-G166 PolarHBondContact O-N 3.13Å
146I62.4Low66.3Low155 Ų155102.6 Ų102.680%0.79549%0.485SS*.  trans-69.3-1.5-172-63.5167.2000114.2I144 G148I144-I146 PolarHBondContact O-N 3.49Å; I144-I146 VanDerWaalsContact O-N 3.12Å; I146-G148 PolarHBondContact O-N 2.98Å
147R54.9Low64.5Low166 Ų16699.9 Ų99.963%0.62647%0.474SS*.THydrogen-bonded Turntrans-62.4-8.2-160.7-150.371.9-178.4170.62.7116.7W145 A151 I163W145-R147 PolarHBondContact O-N 3.47Å; R147-A151 WeakPolarHBondContact O-CB 3.21Å; R147-I163 HydrophobicContact CB-CG2 4.36Å; R147-I163 HydrophobicContact CG-CG2 3.83Å
148G53.5Low62.7Low17 Ų17107 Ų10718%0.17550%0.5CS..Hα-helixtrans-69.3-44.9-174.700000116.8I146 E152I146-G148 PolarHBondContact O-N 2.98Å; G148-E152 PolarHBondContact O-N 3.03Å
149R47.4Very low61.3Low219 Ų219113.4 Ų113.483%0.82652%0.515SS*.Hα-helixtrans-80.6-35.3-167.7-110.9-167.9-64.2-123.22.4115.1
150E50.6Low59.8Low158 Ų158118.4 Ų118.474%0.73854%0.539SS*.Hα-helixtrans-82.2-29.9-177.6-164.9168.3-150.300112.2R153E150-R153 PolarHBondContact O-N 3.48Å
151A48.9Very low58.3Low31 Ų31120.1 Ų120.126%0.25655%0.549SS..Hα-helixtrans-71.3-34.2175.700000112.4R147 R153 K154R147-A151 WeakPolarHBondContact O-CB 3.21Å; A151-R153 PolarHBondContact O-N 3.35Å; A151-K154 CarbonylContact O-C 3.49Å; A151-K154 WeakPolarHBondContact O-CA 3.41Å; A151-K154 PolarHBondContact O-N 3.46Å
152E48.2Very low56.6Low142 Ų142125.7 Ų125.766%0.66458%0.582SS**Hα-helixtrans-63.7-31.7176.2-157.2172.8-144.700112.1G148 K154G148-E152 PolarHBondContact O-N 3.03Å; E152-K154 PolarHBondContact O-N 2.81Å
153R51.3Low55.1Low231 Ų231127.8 Ų127.887%0.87259%0.591SS**THydrogen-bonded Turntrans-67.5-20.6169.4-96.8-174.5171.5-149.9-3.9113.6E150 A151E150-R153 PolarHBondContact O-N 3.48Å; A151-R153 PolarHBondContact O-N 3.35Å
154K51.6Low53.8Low124 Ų124126.8 Ų126.854%0.53959%0.585SS.*  trans-107.974.4-171.8-136.4172.2-170.4178.90108.8A151 E152 I156 W157A151-K154 CarbonylContact O-C 3.49Å; A151-K154 WeakPolarHBondContact O-CA 3.41Å; A151-K154 PolarHBondContact O-N 3.46Å; E152-K154 PolarHBondContact O-N 2.81Å; K154-I156 PolarHBondContact O-N 2.89Å; K154-W157 PolarHBondContact O-N 2.84Å
155L54.8Low52.9Low134 Ų134124.4 Ų124.470%0.70257%0.573SS**THydrogen-bonded Turntrans-40.9-37.4-178.9-92.7147.2000114.2W157 R158L155-W157 PolarHBondContact O-N 2.88Å; L155-W157 VanDerWaalsContact O-N 3.12Å; L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 3.02Å; L155-R158 VanDerWaalsContact O-N 3.14Å
156I52.2Low52.6Low128 Ų128120.8 Ų120.866%0.65656%0.562SS**THydrogen-bonded Turntrans-54.9-30.9179.7-63.6169.3000113.1K154K154-I156 PolarHBondContact O-N 2.89Å
157W46.8Very low53.4Low112 Ų112113.5 Ų113.542%0.42452%0.524SS..Hα-helixtrans-90.2-3.9-174.5-64.790.6000114K154 L155 L161K154-W157 PolarHBondContact O-N 2.84Å; L155-W157 PolarHBondContact O-N 2.88Å; L155-W157 VanDerWaalsContact O-N 3.12Å; W157-L161 HydrophobicContact CE3-CD1 3.9Å; W157-L161 HydrophobicContact CZ3-CD1 3.97Å
158R49.6Very low54.8Low189 Ų189110 Ų11071%0.71352%0.517SS*.Hα-helixtrans-71.7-31.3-173.1-155.4171.3170.2159.9-2.7112.7L155L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 3.02Å; L155-R158 VanDerWaalsContact O-N 3.14Å
159E52.8Low56.2Low191 Ų191112.7 Ų112.789%0.89353%0.533SS*.Hα-helixtrans-89.8-36.8176.9-73.5178.6164.200113L161E159-L161 PolarHBondContact O-N 3.35Å
160I48.5Very low58Low114 Ų114110.6 Ų110.659%0.58553%0.532SS*.Hα-helixtrans-77.3-25.5-165.7-60.6177.1000112.2
161L46.4Very low59.6Low83 Ų83103.5 Ų103.544%0.43550%0.501SS..  trans-140.7121.3-174.2-75.7169.5000112.4W157 E159 I163W157-L161 HydrophobicContact CE3-CD1 3.9Å; W157-L161 HydrophobicContact CZ3-CD1 3.97Å; E159-L161 PolarHBondContact O-N 3.35Å; L161-I163 HydrophobicContact CB-CB 4.2Å; L161-I163 HydrophobicContact CB-CD1 3.47Å; L161-I163 VanDerWaalsContact CB-CD1 3.47Å; L161-I163 HydrophobicContact CB-CG1 3.54Å; L161-I163 HydrophobicContact CD1-CD1 3.28Å; L161-I163 HydrophobicContact CD1-CG1 3.8Å; L161-I163 HydrophobicContact CG-CD1 3.95Å; L161-I163 HydrophobicContact CG-CG1 4.15Å; L161-I163 PolarHBondContact O-N 3.45Å
162N47.3Very low61.4Low169 Ų169104.3 Ų104.390%0.90450%0.504SS*.  trans-61.648.8152.4-70.5-38.6000111C164N162-C164 PolarHBondContact O-N 2.71Å; N162-C164 VanDerWaalsContact O-N 3.15Å
163I50.4Low63.1Low62 Ų62102.5 Ų102.532%0.31849%0.492SS..  trans-64.7117.6178.6-87.5152.3000107.3R147 L161 I165R147-I163 HydrophobicContact CB-CG2 4.36Å; R147-I163 HydrophobicContact CG-CG2 3.83Å; L161-I163 HydrophobicContact CB-CB 4.2Å; L161-I163 HydrophobicContact CB-CD1 3.47Å; L161-I163 VanDerWaalsContact CB-CD1 3.47Å; L161-I163 HydrophobicContact CB-CG1 3.54Å; L161-I163 HydrophobicContact CD1-CD1 3.28Å; L161-I163 HydrophobicContact CD1-CG1 3.8Å; L161-I163 HydrophobicContact CG-CD1 3.95Å; L161-I163 HydrophobicContact CG-CG1 4.15Å; L161-I163 PolarHBondContact O-N 3.45Å; I163-I165 PolarHBondContact O-N 3.46Å
164C51.2Low64.5Low38 Ų3892 Ų9226%0.25746%0.455SS..  trans-67.8115.9179.3-61.40000109.8I140 N162I140-C164 HydrophobicContact CB-CB 4.21Å; I140-C164 HydrophobicContact CD1-CB 3.7Å; I140-C164 WeakPolarHBondContact CD1-SG 3.15Å; I140-C164 HydrophobicContact CG1-CB 3.84Å; N162-C164 PolarHBondContact O-N 2.71Å; N162-C164 VanDerWaalsContact O-N 3.15Å
165I64.5Low66.1Low67 Ų6790.6 Ų90.634%0.34446%0.459SS..PPolyproline II helixtrans-86.3134.6174.4-62.1166000107.7M119 I163 G167M119-I165 HydrophobicContact CE-CB 3.43Å; M119-I165 VanDerWaalsContact CE-CB 3.43Å; M119-I165 HydrophobicContact CE-CG2 3.75Å; M119-I165 WeakPolarHBondContact CE-O 3.16Å; I163-I165 PolarHBondContact O-N 3.46Å; I165-G167 PolarHBondContact O-N 3.11Å
166G71.9Confident67.6Low7 Ų790.8 Ų90.87%0.07245%0.45CS..PPolyproline II helixtrans-60.3135.7172.600000111S142 W145S142-G166 WeakPolarHBondContact O-CA 3.46Å; W145-G166 PolarHBondContact O-N 3.13Å
167G79.4Confident69.3Low1 Ų188.7 Ų88.71%0.0144%0.443CS..PPolyproline II helixtrans-66.8152.7176.600000111.9R141 P143 I165R141-G167 PolarHBondContact O-N 3.48Å; P143-G167 WeakPolarHBondContact CA-O 3.34Å; P143-G167 WeakPolarHBondContact CB-O 3.32Å; I165-G167 PolarHBondContact O-N 3.11Å
168I82.6Confident71.4Confident94 Ų9488.6 Ų88.648%0.48244%0.443SS..PPolyproline II helixtrans-84.2127.8-177.4-62.4170.7000109.9A113 L114A113-I168 HydrophobicContact CB-CB 4.12Å; A113-I168 HydrophobicContact CB-CD1 3.94Å; A113-I168 HydrophobicContact CB-CG2 4.24Å; L114-I168 PolarHBondContact O-N 2.98Å
169S84.4Confident73.4Confident72 Ų7284.8 Ų84.850%0.50343%0.432SS..THydrogen-bonded Turntrans-82.3137.5173.5-166.60000110.5G171S169-G171 PolarHBondContact O-N 3.11Å
170H83.7Confident75.3Confident175 Ų17580 Ų8081%0.8141%0.406SS*.THydrogen-bonded Turntrans5124.9-177-54.7103.8000115.6
171G84.8Confident77.3Confident9 Ų981 Ų819%0.09341%0.41CS..  trans-67.7165.6174.100000112.6S169 R173S169-G171 PolarHBondContact O-N 3.11Å; G171-R173 PolarHBondContact O-N 2.95Å
172P86.5Confident79.5Confident49 Ų4977.5 Ų77.532%0.31839%0.391SS..  trans-59.6136.8172.727.8-36.9000110.8V111 A113V111-P172 HydrophobicContact CB-CB 4.4Å; V111-P172 HydrophobicContact CB-CG 4.24Å; V111-P172 HydrophobicContact CG1-CB 4.24Å; V111-P172 HydrophobicContact CG1-CG 3.54Å; V111-P172 WeakPolarHBondContact O-CB 3.3Å; A113-P172 HydrophobicContact CB-CG 3.99Å; A113-P172 PolarHBondContact N-O 3.07Å
173R84.5Confident81.6Confident104 Ų10473 Ų7339%0.39237%0.372SS..BIsolated β-bridgetrans-103-4.4-164.4-81.4-94.6142.864.67.7115.2T115 G171T115-R173 VanDerWaalsContact OG1-CZ 3.3Å; T115-R173 PolarHBondContact OG1-NE 3.2Å; T115-R173 PolarHBondContact OG1-NH2 3.21Å; G171-R173 PolarHBondContact O-N 2.95Å
174G80.7Confident83.3Confident11 Ų1172.1 Ų72.111%0.11337%0.368CS..SBendtrans154-170.4-175.600000112R176G174-R176 PolarHBondContact O-N 3.03Å; G174-R176 VanDerWaalsContact O-N 3.12Å
175P84.1Confident85.2Confident94 Ų9473.8 Ų73.861%0.6138%0.384SS*.  trans-57.9118.1179.124.2-32.1000110.1S109 F110S109-P175 CarbonylContact O-C 3.4Å; S109-P175 WeakPolarHBondContact O-CA 3.48Å; F110-P175 HydrophobicContact CD1-CB 3.94Å; F110-P175 HydrophobicContact CE1-CB 4.14Å
176R87.9Confident86.6Confident137 Ų13773 Ų7352%0.51738%0.38SS..EExtended strand (participates in β ladder)trans-116.6126.3171.4-67.8-163179.2106.2-6.5109.5S109 G174S109-R176 PolarHBondContact N-O 2.65Å; S109-R176 PolarHBondContact O-N 2.88Å; G174-R176 PolarHBondContact O-N 3.03Å; G174-R176 VanDerWaalsContact O-N 3.12Å
177T88.2Confident87.6Confident84 Ų8475.8 Ų75.852%0.51539%0.389SS..EExtended strand (participates in β ladder)trans-73.9144.2167.453.20000109.5V108 F179V108-T177 HydrophobicContact CG2-CG2 4.44Å; T177-F179 HydrophobicContact CG2-CD1 4.03Å; T177-F179 HydrophobicContact CG2-CE1 4.14Å; T177-F179 WeakPolarHBondContact OG1-CE1 3.44Å
178R89.9Confident88.3Confident111 Ų11177 Ų7742%0.41939%0.394SS..  trans-1043.6173-64.5-162.6-62.1-80.918.6112.9N104 S107N104-R178 HydrophobicContact CB-CB 4.28Å; N104-R178 CarbonylContact O-C 3.57Å; S107-R178 PolarHBondContact O-N 3.45Å; S107-R178 PolarHBondContact OG-NH1 2.97Å; S107-R178 PolarHBondContact OG-NH2 3.33Å
179F92Very high89Confident109 Ų10975.7 Ų75.748%0.47838%0.384SS..  trans-62.8144.6179.783.8-101.8000110.3N104 Y105 T177N104-F179 PolarHBondContact O-N 3.39Å; Y105-F179 HydrophobicContact CD2-CB 3.88Å; Y105-F179 HydrophobicContact CE2-CB 4.38Å; Y105-F179 HydrophobicContact CG-CB 4.33Å; T177-F179 HydrophobicContact CG2-CD1 4.03Å; T177-F179 HydrophobicContact CG2-CE1 4.14Å; T177-F179 WeakPolarHBondContact OG1-CE1 3.44Å
180Y93Very high89.6Confident91 Ų9172.2 Ų72.236%0.35736%0.36SS..  trans-141.8161.2166.559.8-87.9000107.4W101 N104 L182W101-Y180 WeakPolarHBondContact CA-OH 3.25Å; W101-Y180 HydrophobicContact CB-CE2 4.18Å; W101-Y180 AromaticContact CD1-CE2 3.95Å; W101-Y180 HydrophobicContact CG-CE2 4.41Å; W101-Y180 PolarHBondContact NE1-O 3.14Å; N104-Y180 HydrophobicContact CB-CE1 4.14Å; Y180-L182 HydrophobicContact CE2-CD1 4.23Å
181M90.5Very high90.2Very high133 Ų13365 Ų6566%0.65533%0.327SS*.  trans-91.9114.5177.9-65.8-59.4-76.700109.5
182L91.8Very high90.7Very high10 Ų1064.8 Ų64.85%0.05232%0.324CS..  trans-74.6138.3171-167.367000109.2N98 W101 Y180 I186 R187N98-L182 WeakPolarHBondContact OD1-CD2 3.33Å; W101-L182 HydrophobicContact CB-CB 4.26Å; W101-L182 HydrophobicContact CB-CD2 4.08Å; W101-L182 HydrophobicContact CD2-CB 3.84Å; W101-L182 HydrophobicContact CD2-CD2 4.31Å; W101-L182 HydrophobicContact CE3-CB 4.42Å; W101-L182 HydrophobicContact CE3-CD2 4.25Å; W101-L182 HydrophobicContact CG-CB 3.7Å; W101-L182 HydrophobicContact CG-CD2 4.23Å; Y180-L182 HydrophobicContact CE2-CD1 4.23Å; L182-I186 HydrophobicContact CD1-CB 4.48Å; L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CD1-CG2 4.14Å; L182-I186 HydrophobicContact CD2-CB 4.35Å; L182-I186 HydrophobicContact CD2-CG2 3.89Å; L182-I186 HydrophobicContact CG-CB 4.17Å; L182-I186 HydrophobicContact CG-CG2 4.09Å; L182-R187 HydrophobicContact CB-CG 4Å; L182-R187 HydrophobicContact CD2-CG 3.8Å; L182-R187 HydrophobicContact CG-CG 4.1Å; L182-R187 PolarHBondContact O-NE 3.11Å; L182-R187 PolarHBondContact O-NH2 3.1Å
183P90.8Very high91.2Very high76 Ų7662.4 Ų62.449%0.49431%0.309SS..  trans-55141.6173.6-26.935000112.1A185 I186 R187P183-A185 VanDerWaalsContact C-N 3.34Å; P183-A185 PolarHBondContact O-N 3.16Å; P183-I186 HydrophobicContact CB-CD1 4.19Å; P183-I186 HydrophobicContact CB-CG1 4.23Å; P183-I186 HydrophobicContact CG-CD1 4.01Å; P183-I186 PolarHBondContact O-N 2.91Å; P183-I186 VanDerWaalsContact O-N 3.12Å; P183-R187 PolarHBondContact O-N 3.21Å; P183-R187 VanDerWaalsContact O-N 3.13Å
184D87.8Confident91.8Very high42 Ų4257.5 Ų57.523%0.22529%0.29CS..Hα-helixtrans-62.2-40.4-173.2-161.932.4000112.9I186 R187 L188D184-I186 VanDerWaalsContact C-N 3.26Å; D184-I186 PolarHBondContact O-N 3.48Å; D184-R187 WeakPolarHBondContact O-CA 3.3Å; D184-R187 WeakPolarHBondContact O-CB 3.32Å; D184-R187 PolarHBondContact O-N 2.84Å; D184-R187 IonicContact OD1-CZ 3.37Å; D184-R187 IonicContact OD1-NH1 3.33Å; D184-R187 PolarHBondContact OD1-NH1 2.83Å; D184-R187 IonicContact OD1-NH2 3.63Å; D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.42Å
185A89.7Confident92.6Very high74 Ų7457 Ų5761%0.61229%0.285SS*.Hα-helixtrans-57.6-38.5175.800000112.5P183 Y189P183-A185 VanDerWaalsContact C-N 3.34Å; P183-A185 PolarHBondContact O-N 3.16Å; A185-Y189 VanDerWaalsContact O-CB 3.23Å; A185-Y189 WeakPolarHBondContact O-CB 3.35Å; A185-Y189 PolarHBondContact O-N 3.1Å
186I93.8Very high93.2Very high49 Ų4953.1 Ų53.125%0.25126%0.259SS..Hα-helixtrans-72.2-35.4177.6-57.5179.4000110.2I94 N98 L182 P183 D184 G190I94-I186 HydrophobicContact CG2-CG2 3.85Å; I94-I186 WeakPolarHBondContact CG2-O 3.49Å; N98-I186 PolarHBondContact ND2-O 3.25Å; L182-I186 HydrophobicContact CD1-CB 4.48Å; L182-I186 HydrophobicContact CD1-CD1 4.47Å; L182-I186 HydrophobicContact CD1-CG2 4.14Å; L182-I186 HydrophobicContact CD2-CB 4.35Å; L182-I186 HydrophobicContact CD2-CG2 3.89Å; L182-I186 HydrophobicContact CG-CB 4.17Å; L182-I186 HydrophobicContact CG-CG2 4.09Å; P183-I186 HydrophobicContact CB-CD1 4.19Å; P183-I186 HydrophobicContact CB-CG1 4.23Å; P183-I186 HydrophobicContact CG-CD1 4.01Å; P183-I186 PolarHBondContact O-N 2.91Å; P183-I186 VanDerWaalsContact O-N 3.12Å; D184-I186 VanDerWaalsContact C-N 3.26Å; D184-I186 PolarHBondContact O-N 3.48Å; I186-G190 PolarHBondContact O-N 3.28Å
187R94.5Very high93.6Very high67 Ų6748 Ų4825%0.25324%0.243SC..Hα-helixtrans-63.6-50.3174.9-71.8-175.1-89.1110.8-1.4112.2N98 W101 L182 P183 D184 G190 L191N98-R187 VanDerWaalsContact OD1-CA 3.29Å; N98-R187 WeakPolarHBondContact OD1-CA 3.29Å; W101-R187 HydrophobicContact CE3-CG 4.14Å; W101-R187 HydrophobicContact CH2-CG 4.3Å; W101-R187 VanDerWaalsContact CZ3-CD 3.42Å; W101-R187 HydrophobicContact CZ3-CG 3.9Å; L182-R187 HydrophobicContact CB-CG 4Å; L182-R187 HydrophobicContact CD2-CG 3.8Å; L182-R187 HydrophobicContact CG-CG 4.1Å; L182-R187 PolarHBondContact O-NE 3.11Å; L182-R187 PolarHBondContact O-NH2 3.1Å; P183-R187 PolarHBondContact O-N 3.21Å; P183-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact O-CA 3.3Å; D184-R187 WeakPolarHBondContact O-CB 3.32Å; D184-R187 PolarHBondContact O-N 2.84Å; D184-R187 IonicContact OD1-CZ 3.37Å; D184-R187 IonicContact OD1-NH1 3.33Å; D184-R187 PolarHBondContact OD1-NH1 2.83Å; D184-R187 IonicContact OD1-NH2 3.63Å; R187-G190 PolarHBondContact O-N 3.16Å; R187-L191 PolarHBondContact O-N 3.31Å
188L94.2Very high94Very high25 Ų2544.6 Ų44.613%0.13122%0.222CC..Hα-helixtrans-61.9-46.9177.6-67.1167.2000111.5D184 G190 L191 C192 Q293D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.42Å; L188-G190 VanDerWaalsContact C-N 3.26Å; L188-G190 PolarHBondContact O-N 3.01Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.14Å; L188-C192 PolarHBondContact O-N 3.12Å; L188-C192 PolarHBondContact O-SG 3.17Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; L188-Q293 HydrophobicContact CD1-CB 3.54Å; L188-Q293 HydrophobicContact CD2-CB 3.74Å; L188-Q293 HydrophobicContact CD2-CG 4.16Å; L188-Q293 HydrophobicContact CG-CB 4.29Å
189Y95.6Very high94.3Very high67 Ų6740.4 Ų40.426%0.26321%0.207SC..Hα-helixtrans-62.9-35.1177.6-165-87.9000112V88 V89 R91 I94 A185 C192 T193V88-Y189 HydrophobicContact CG1-CD2 3.94Å; V88-Y189 HydrophobicContact CG1-CE1 4.11Å; V88-Y189 HydrophobicContact CG1-CE2 3.29Å; V88-Y189 VanDerWaalsContact CG1-CZ 3.41Å; V89-Y189 PolarHBondContact O-OH 2.84Å; R91-Y189 HydrophobicContact CB-CE1 4.04Å; R91-Y189 WeakPolarHBondContact CD-OH 3.18Å; R91-Y189 HydrophobicContact CG-CE1 4.01Å; I94-Y189 HydrophobicContact CB-CD1 4.08Å; I94-Y189 HydrophobicContact CD1-CD1 3.23Å; I94-Y189 HydrophobicContact CD1-CE1 3.41Å; I94-Y189 VanDerWaalsContact CD1-CE1 3.41Å; I94-Y189 HydrophobicContact CD1-CG 4.13Å; I94-Y189 HydrophobicContact CG1-CD1 4.22Å; I94-Y189 HydrophobicContact CG2-CD1 3.79Å; A185-Y189 VanDerWaalsContact O-CB 3.23Å; A185-Y189 WeakPolarHBondContact O-CB 3.35Å; A185-Y189 PolarHBondContact O-N 3.1Å; Y189-C192 PolarHBondContact O-N 3.33Å; Y189-T193 HydrophobicContact CD1-CG2 3.61Å; Y189-T193 HydrophobicContact CE1-CG2 3.36Å; Y189-T193 WeakPolarHBondContact O-CB 3.42Å; Y189-T193 VanDerWaalsContact O-CG2 3.27Å; Y189-T193 WeakPolarHBondContact O-CG2 3.34Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 3.12Å
190G96.9Very high94.4Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-60.5-42.1170.700000113.2L95 N98 I186 R187 L188 T193 A194 C267L95-G190 VanDerWaalsContact CD2-O 3.24Å; L95-G190 WeakPolarHBondContact CD2-O 3.5Å; N98-G190 WeakPolarHBondContact ND2-CA 3.38Å; I186-G190 PolarHBondContact O-N 3.28Å; R187-G190 PolarHBondContact O-N 3.16Å; L188-G190 VanDerWaalsContact C-N 3.26Å; L188-G190 PolarHBondContact O-N 3.01Å; G190-T193 WeakPolarHBondContact CA-OG1 3.5Å; G190-T193 PolarHBondContact O-OG1 2.77Å; G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.41Å; G190-C267 PolarHBondContact O-SG 3.09Å
191L96.3Very high94.5Very high24 Ų2439.3 Ų39.313%0.12622%0.218CC..Hα-helixtrans-66.6-47.6176.7-171.866.1000111.5R187 L188 T193 A194 L195 L265 M270 I290R187-L191 PolarHBondContact O-N 3.31Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 3.14Å; L191-T193 PolarHBondContact O-N 3.09Å; L191-A194 PolarHBondContact O-N 3.23Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 3.28Å; L191-L265 HydrophobicContact CD1-CD2 4.35Å; L191-L265 HydrophobicContact CD1-CG 4.24Å; L191-M270 HydrophobicContact CD1-SD 3.75Å; L191-I290 HydrophobicContact CD2-CD1 3.79Å; L191-I290 HydrophobicContact CD2-CG1 4.02Å; L191-I290 HydrophobicContact CG-CD1 4.3Å
192C96.3Very high94.6Very high3 Ų339.9 Ų39.92%0.0222%0.223CC..Hα-helixtrans-62.8-41.3178.2-59.10000112.2V88 L188 Y189 A194 L195 T196 I290V88-C192 HydrophobicContact CB-CB 4.21Å; V88-C192 HydrophobicContact CG2-CB 3.67Å; L188-C192 PolarHBondContact O-N 3.12Å; L188-C192 PolarHBondContact O-SG 3.17Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; Y189-C192 PolarHBondContact O-N 3.33Å; C192-A194 VanDerWaalsContact C-N 3.34Å; C192-A194 PolarHBondContact O-N 3.02Å; C192-L195 PolarHBondContact O-N 2.71Å; C192-T196 WeakPolarHBondContact O-CB 3.32Å; C192-T196 PolarHBondContact O-N 2.98Å; C192-T196 PolarHBondContact O-OG1 3.31Å; C192-I290 VanDerWaalsContact SG-CG2 3.6Å
193T96.9Very high94.8Very high0 Ų041.2 Ų41.20%023%0.231CC..Hα-helixtrans-65-38.1175.748.30000112V88 V89 L95 Y189 G190 L191 T196 V197V88-T193 HydrophobicContact CG1-CG2 3.88Å; V89-T193 WeakPolarHBondContact O-CG2 3.37Å; L95-T193 WeakPolarHBondContact CD2-OG1 3.4Å; Y189-T193 HydrophobicContact CD1-CG2 3.61Å; Y189-T193 HydrophobicContact CE1-CG2 3.36Å; Y189-T193 WeakPolarHBondContact O-CB 3.42Å; Y189-T193 VanDerWaalsContact O-CG2 3.27Å; Y189-T193 WeakPolarHBondContact O-CG2 3.34Å; Y189-T193 PolarHBondContact O-N 3.14Å; Y189-T193 PolarHBondContact O-OG1 3.12Å; G190-T193 WeakPolarHBondContact CA-OG1 3.5Å; G190-T193 PolarHBondContact O-OG1 2.77Å; L191-T193 PolarHBondContact O-N 3.09Å; T193-T196 PolarHBondContact O-N 3.27Å; T193-V197 WeakPolarHBondContact O-CB 3.24Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 2.86Å
194A97.1Very high95.1Very high1 Ų138.2 Ų38.21%0.00821%0.21CC..Hα-helixtrans-64.4-43.1175.400000111.3L95 G190 L191 C192 V197 K198 M270L95-A194 HydrophobicContact CD2-CB 3.73Å; G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.41Å; L191-A194 PolarHBondContact O-N 3.23Å; C192-A194 VanDerWaalsContact C-N 3.34Å; C192-A194 PolarHBondContact O-N 3.02Å; A194-V197 PolarHBondContact O-N 2.73Å; A194-K198 WeakPolarHBondContact O-CG 3.45Å; A194-K198 PolarHBondContact O-N 3.38Å; A194-M270 VanDerWaalsContact C-CE 3.43Å; A194-M270 HydrophobicContact CB-CB 4.49Å; A194-M270 HydrophobicContact CB-CE 3.47Å; A194-M270 VanDerWaalsContact CB-CE 3.47Å; A194-M270 HydrophobicContact CB-SD 3.77Å
195L96.8Very high95.4Very high1 Ų137.3 Ų37.31%0.00521%0.207CC..Hα-helixtrans-65.8-43.6177.9-73170.5000111.4V85 F86 L191 C192 K198 H199 M270 L276 I290V85-L195 HydrophobicContact CG1-CD1 3.69Å; F86-L195 HydrophobicContact CD1-CB 4.07Å; F86-L195 HydrophobicContact CE1-CB 3.95Å; F86-L195 HydrophobicContact CE1-CD2 4.19Å; F86-L195 HydrophobicContact CE1-CG 4.45Å; L191-L195 HydrophobicContact CG-CD1 4.39Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 3.28Å; C192-L195 PolarHBondContact O-N 2.71Å; L195-K198 PolarHBondContact O-N 3.07Å; L195-H199 WeakPolarHBondContact O-CB 3.35Å; L195-H199 PolarHBondContact O-N 2.87Å; L195-M270 HydrophobicContact CB-CE 4.31Å; L195-M270 HydrophobicContact CD2-CE 3.52Å; L195-M270 HydrophobicContact CD2-SD 4.44Å; L195-M270 HydrophobicContact CG-CE 3.72Å; L195-L276 HydrophobicContact CD2-CD1 4.45Å; L195-I290 HydrophobicContact CD1-CD1 3.77Å
196T96.7Very high95.8Very high11 Ų1133.9 Ų33.97%0.06718%0.178CC..Hα-helixtrans-62.1-44176.7-58.90000111.3V85 F86 V88 C192 T193 H199 A200V85-T196 PolarHBondContact O-OG1 2.91Å; F86-T196 WeakPolarHBondContact CA-OG1 3.38Å; F86-T196 WeakPolarHBondContact O-CB 3.23Å; F86-T196 WeakPolarHBondContact O-CG2 3.32Å; F86-T196 PolarHBondContact O-OG1 3.42Å; V88-T196 PolarHBondContact N-OG1 3.04Å; V88-T196 VanDerWaalsContact N-OG1 3.11Å; V88-T196 WeakPolarHBondContact O-CG2 3.39Å; C192-T196 WeakPolarHBondContact O-CB 3.32Å; C192-T196 PolarHBondContact O-N 2.98Å; C192-T196 PolarHBondContact O-OG1 3.31Å; T193-T196 PolarHBondContact O-N 3.27Å; T196-H199 PolarHBondContact O-N 2.98Å; T196-A200 VanDerWaalsContact O-CB 3.23Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.24Å
197V96.6Very high95.8Very high30 Ų3031.5 Ų31.518%0.18217%0.166CC..Hα-helixtrans-64-43177.5169.90000110.9P90 T193 A194 A200 Q201P90-V197 HydrophobicContact CB-CG2 3.61Å; T193-V197 WeakPolarHBondContact O-CB 3.24Å; T193-V197 WeakPolarHBondContact O-CG2 3.38Å; T193-V197 PolarHBondContact O-N 2.86Å; A194-V197 PolarHBondContact O-N 2.73Å; V197-A200 PolarHBondContact O-N 3.44Å; V197-Q201 HydrophobicContact CG1-CG 4.39Å; V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 VanDerWaalsContact O-CG 3.25Å; V197-Q201 WeakPolarHBondContact O-CG 3.35Å; V197-Q201 PolarHBondContact O-N 3.48Å
198K96.5Very high95.7Very high13 Ų1330 Ų306%0.05716%0.162CC..Hα-helixtrans-64-41.6177.2-73.3-69.2176.4-168.20112.7A194 L195 Q201 D202 D203 L204 M270 H273 Q274A194-K198 WeakPolarHBondContact O-CG 3.45Å; A194-K198 PolarHBondContact O-N 3.38Å; L195-K198 PolarHBondContact O-N 3.07Å; K198-Q201 PolarHBondContact O-N 3.01Å; K198-D202 PolarHBondContact O-N 3.49Å; K198-D203 HydrophobicContact CB-CB 4.41Å; K198-D203 HydrophobicContact CD-CB 3.54Å; K198-D203 IonicContact NZ-OD2 3.33Å; K198-D203 PolarHBondContact NZ-OD2 3.3Å; K198-D203 PolarHBondContact O-N 3.45Å; K198-L204 HydrophobicContact CB-CB 4.26Å; K198-L204 PolarHBondContact O-N 2.94Å; K198-M270 WeakPolarHBondContact CE-O 3.23Å; K198-M270 HydrophobicContact CG-CE 4.32Å; K198-H273 PolarHBondContact NZ-O 3.45Å; K198-Q274 PolarHBondContact NZ-O 3.03Å
199H96Very high95.5Very high22 Ų2232.7 Ų32.710%0.10218%0.177CC..Hα-helixtrans-65.5-43.2174.1-178.5-106.8000112Q62 F86 L195 T196 Q201 D202 L204Q62-H199 PolarHBondContact O-NE2 2.63Å; F86-H199 HydrophobicContact CD1-CB 4.19Å; L195-H199 WeakPolarHBondContact O-CB 3.35Å; L195-H199 PolarHBondContact O-N 2.87Å; T196-H199 PolarHBondContact O-N 2.98Å; H199-Q201 PolarHBondContact O-N 3.49Å; H199-D202 PolarHBondContact O-N 2.98Å; H199-L204 HydrophobicContact CB-CB 4.44Å; H199-L204 HydrophobicContact CB-CD2 4Å
200A95.3Very high95.3Very high68 Ų6830 Ų3056%0.56217%0.167SC*.Hα-helixtrans-69-19.4179.300000114.2T196 V197T196-A200 VanDerWaalsContact O-CB 3.23Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.24Å; V197-A200 PolarHBondContact O-N 3.44Å
201Q94.4Very high94.9Very high110 Ų11037.7 Ų37.751%0.51420%0.203SC..THydrogen-bonded Turntrans-940.7176.3-72.7176.9-36.200113.1V197 K198 H199 D203V197-Q201 HydrophobicContact CG1-CG 4.39Å; V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 VanDerWaalsContact O-CG 3.25Å; V197-Q201 WeakPolarHBondContact O-CG 3.35Å; V197-Q201 PolarHBondContact O-N 3.48Å; K198-Q201 PolarHBondContact O-N 3.01Å; H199-Q201 PolarHBondContact O-N 3.49Å; Q201-D203 HydrophobicContact CB-CB 4.29Å; Q201-D203 PolarHBondContact O-N 3.22Å; Q201-D203 PolarHBondContact OE1-OD2 3.02Å
202D93.5Very high94.5Very high144 Ų14437.8 Ų37.877%0.7721%0.206SC*.THydrogen-bonded Turntrans57.620.1-170-58.8-46.2000113.8K198 H199 L204K198-D202 PolarHBondContact O-N 3.49Å; H199-D202 PolarHBondContact O-N 2.98Å; D202-L204 VanDerWaalsContact C-N 3.34Å
203D95.3Very high94.1Very high38 Ų3838 Ų3820%0.20321%0.206CC..  trans-83.8-11176.8-82.7-7000112.4K198 Q201 Q274 T275 L276K198-D203 HydrophobicContact CB-CB 4.41Å; K198-D203 HydrophobicContact CD-CB 3.54Å; K198-D203 IonicContact NZ-OD2 3.33Å; K198-D203 PolarHBondContact NZ-OD2 3.3Å; K198-D203 PolarHBondContact O-N 3.45Å; Q201-D203 HydrophobicContact CB-CB 4.29Å; Q201-D203 PolarHBondContact O-N 3.22Å; Q201-D203 PolarHBondContact OE1-OD2 3.02Å; D203-Q274 VanDerWaalsContact CB-O 3.29Å; D203-Q274 WeakPolarHBondContact CB-O 3.41Å; D203-T275 WeakPolarHBondContact O-CA 3.46Å; D203-T275 WeakPolarHBondContact O-CG2 3.41Å; D203-L276 PolarHBondContact O-N 2.71Å
204L96.2Very high93.6Very high13 Ų1341.9 Ų41.97%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-93.4108.9178.4179.265.8000109.9L81 F86 K198 H199 D202 L276 L278L81-L204 HydrophobicContact CD1-CD2 4.44Å; F86-L204 HydrophobicContact CD1-CD2 3.96Å; F86-L204 HydrophobicContact CE1-CD2 3.43Å; F86-L204 VanDerWaalsContact CE1-CD2 3.43Å; F86-L204 HydrophobicContact CZ-CD2 4.35Å; K198-L204 HydrophobicContact CB-CB 4.26Å; K198-L204 PolarHBondContact O-N 2.94Å; H199-L204 HydrophobicContact CB-CB 4.44Å; H199-L204 HydrophobicContact CB-CD2 4Å; D202-L204 VanDerWaalsContact C-N 3.34Å; L204-L276 HydrophobicContact CD1-CB 4.32Å; L204-L276 HydrophobicContact CD1-CD2 3.81Å; L204-L276 HydrophobicContact CD1-CG 4.47Å; L204-L278 HydrophobicContact CD1-CD1 3.84Å; L204-L278 HydrophobicContact CD1-CG 4.1Å
205V95.5Very high93.2Very high24 Ų2443.6 Ų43.615%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-104124.5179.3178.10000109.1V207 W230 T275 L276 V277 L278V205-V207 HydrophobicContact CG1-CG2 4.26Å; V205-W230 HydrophobicContact CG1-CZ2 4.1Å; V205-T275 HydrophobicContact CB-CG2 4.31Å; V205-T275 HydrophobicContact CG2-CG2 3.64Å; V205-L276 PolarHBondContact N-O 3.43Å; V205-V277 HydrophobicContact CB-CG2 4.29Å; V205-V277 HydrophobicContact CG1-CG1 4.48Å; V205-V277 WeakPolarHBondContact O-CA 3.21Å; V205-L278 PolarHBondContact O-N 3.23Å
206I96.6Very high92.8Very high1 Ų144.3 Ų44.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-99.3131.7173.8-55.3-175.8000108.6A63 V65 S66 L81 L278 L280 V283A63-I206 HydrophobicContact CB-CD1 3.48Å; A63-I206 VanDerWaalsContact CB-CD1 3.48Å; A63-I206 HydrophobicContact CB-CG1 4.12Å; V65-I206 HydrophobicContact CG1-CG2 4.33Å; V65-I206 HydrophobicContact CG2-CG2 4.32Å; S66-I206 PolarHBondContact N-O 3.27Å; S66-I206 PolarHBondContact OG-O 3.29Å; S66-I206 VanDerWaalsContact OG-O 3.04Å; L81-I206 HydrophobicContact CD1-CD1 4.27Å; L81-I206 HydrophobicContact CD2-CD1 3.83Å; L81-I206 HydrophobicContact CG-CD1 4.44Å; I206-L278 CarbonylContact C-O 3.57Å; I206-L278 VanDerWaalsContact CA-O 3.31Å; I206-L278 WeakPolarHBondContact CA-O 3.42Å; I206-L280 HydrophobicContact CG2-CD2 3.65Å; I206-L280 HydrophobicContact CG2-CG 4.39Å; I206-V283 HydrophobicContact CD1-CG1 4.49Å; I206-V283 HydrophobicContact CD1-CG2 4.2Å; I206-V283 HydrophobicContact CG1-CG2 4.31Å; I206-V283 HydrophobicContact CG2-CG2 4.26Å
207V94.7Very high92.6Very high0 Ų048.7 Ų48.70%027%0.274CS..EExtended strand (participates in β ladder)trans-114.8150.8179.8170.90000109.5S66 L68 V205 F210 V277 L278 P279 L280S66-V207 CarbonylContact O-C 3.59Å; S66-V207 WeakPolarHBondContact O-CA 3.45Å; L68-V207 HydrophobicContact CD1-CG1 3.68Å; L68-V207 HydrophobicContact CD1-CG2 4.25Å; L68-V207 HydrophobicContact CD2-CG1 4.44Å; L68-V207 HydrophobicContact CD2-CG2 4.06Å; L68-V207 HydrophobicContact CG-CG1 3.64Å; L68-V207 HydrophobicContact CG-CG2 4.14Å; V205-V207 HydrophobicContact CG1-CG2 4.26Å; V207-F210 HydrophobicContact CB-CE1 4.45Å; V207-F210 HydrophobicContact CG1-CD1 4.32Å; V207-V277 HydrophobicContact CB-CG1 4.36Å; V207-V277 HydrophobicContact CG2-CG1 3.46Å; V207-V277 VanDerWaalsContact CG2-CG1 3.46Å; V207-L278 PolarHBondContact N-O 2.81Å; V207-P279 CarbonylContact O-C 3.48Å; V207-P279 WeakPolarHBondContact O-CA 3.36Å; V207-L280 PolarHBondContact O-N 3.29Å
208D91.8Very high92.5Very high34 Ų3447.6 Ų47.618%0.18227%0.268CS..SBendtrans-59.9-73.4172.1-63.2-53.5000110.2V65 S66 S67 V76 L280V65-D208 HydrophobicContact CG1-CB 4.38Å; V65-D208 WeakPolarHBondContact CG1-OD1 3.27Å; S66-D208 PolarHBondContact O-N 2.8Å; S66-D208 VanDerWaalsContact O-N 3.08Å; S67-D208 PolarHBondContact OG-OD2 3.14Å; V76-D208 WeakPolarHBondContact CG2-OD2 3.44Å; D208-L280 PolarHBondContact O-N 3.31Å
209N91.1Very high92.3Very high83 Ų8354.5 Ų54.544%0.44430%0.298SS..  trans-142.2141.6-179.7-75.8-37.8000110.9E211 S212N209-E211 VanDerWaalsContact C-N 3.26Å; N209-E211 PolarHBondContact O-N 2.88Å; N209-S212 WeakPolarHBondContact O-CB 3.46Å; N209-S212 PolarHBondContact O-N 3.37Å; N209-S212 PolarHBondContact O-OG 3.1Å
210F91Very high92.1Very high11 Ų1155.4 Ų55.45%0.04830%0.301CS..G310 helixtrans-72.3-18.4175.6-71.3-37.9000114.3L68 V207 S212 L213 F236 V237 C238 P244 L247 V277 P279L68-F210 HydrophobicContact CD1-CD1 3.9Å; L68-F210 HydrophobicContact CD1-CE1 4.45Å; V207-F210 HydrophobicContact CB-CE1 4.45Å; V207-F210 HydrophobicContact CG1-CD1 4.32Å; F210-S212 PolarHBondContact O-N 2.76Å; F210-L213 PolarHBondContact O-N 3.32Å; F210-F236 AromaticContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CZ-CB 4.2Å; F210-F236 AromaticContact CZ-CD1 3.95Å; F210-F236 HydrophobicContact CZ-CD1 3.95Å; F210-V237 WeakPolarHBondContact CE2-O 3.4Å; F210-C238 WeakPolarHBondContact CD2-SG 3.48Å; F210-C238 VanDerWaalsContact CE2-SG 3.54Å; F210-P244 HydrophobicContact CB-CG 3.68Å; F210-L247 HydrophobicContact CB-CD1 3.87Å; F210-L247 HydrophobicContact CD1-CD1 3.74Å; F210-L247 HydrophobicContact CD2-CD1 3.93Å; F210-L247 HydrophobicContact CE1-CD1 4.18Å; F210-L247 HydrophobicContact CE2-CD1 4.32Å; F210-L247 HydrophobicContact CG-CD1 3.6Å; F210-L247 HydrophobicContact CZ-CD1 4.44Å; F210-V277 HydrophobicContact CE1-CG1 3.73Å; F210-V277 HydrophobicContact CZ-CG1 4.17Å; F210-P279 HydrophobicContact CD2-CB 4.28Å; F210-P279 HydrophobicContact CD2-CG 3.86Å; F210-P279 HydrophobicContact CE2-CB 4.3Å; F210-P279 VanDerWaalsContact CE2-CD 3.41Å; F210-P279 HydrophobicContact CE2-CG 3.64Å; F210-P279 HydrophobicContact CZ-CG 4.13Å
211E88.3Confident92Very high161 Ų16152.4 Ų52.475%0.75228%0.275SS*.G310 helixtrans-69.6-15.9174.3-62.2-169.3157.900113.3N209 L213 P244N209-E211 VanDerWaalsContact C-N 3.26Å; N209-E211 PolarHBondContact O-N 2.88Å; E211-L213 PolarHBondContact O-N 3.49Å; E211-L213 VanDerWaalsContact O-N 3.14Å; E211-P244 HydrophobicContact CG-CB 4.17Å
212S86.9Confident92Very high26 Ų2651.7 Ų51.718%0.18227%0.272CS..G310 helixtrans-66.3-8.8176.463.50000113.9L68 D69 N209 F210 P214L68-S212 WeakPolarHBondContact CB-OG 3.28Å; L68-S212 PolarHBondContact N-OG 2.93Å; D69-S212 WeakPolarHBondContact OD1-CB 3.37Å; D69-S212 VanDerWaalsContact OD1-O 3.13Å; N209-S212 WeakPolarHBondContact O-CB 3.46Å; N209-S212 PolarHBondContact O-N 3.37Å; N209-S212 PolarHBondContact O-OG 3.1Å; F210-S212 PolarHBondContact O-N 2.76Å; S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.38Å
213L88.8Confident92Very high7 Ų748.6 Ų48.64%0.03726%0.256CS..  trans-67.6114.4176.6-76.8167.6000111.4L68 F210 E211 Y220 I224 N246 L247L68-L213 HydrophobicContact CB-CD2 3.67Å; L68-L213 HydrophobicContact CB-CG 3.92Å; L68-L213 HydrophobicContact CD1-CD1 4.11Å; L68-L213 HydrophobicContact CD1-CD2 3.97Å; L68-L213 HydrophobicContact CD1-CG 3.81Å; L68-L213 HydrophobicContact CG-CD2 4.34Å; F210-L213 PolarHBondContact O-N 3.32Å; E211-L213 PolarHBondContact O-N 3.49Å; E211-L213 VanDerWaalsContact O-N 3.14Å; L213-Y220 HydrophobicContact CD2-CE1 4.28Å; L213-I224 HydrophobicContact CD2-CD1 4.04Å; L213-N246 HydrophobicContact CB-CB 4.45Å; L213-N246 PolarHBondContact O-ND2 2.84Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD1 4.11Å; L213-L247 HydrophobicContact CD1-CG 4.23Å
214P87.4Confident91.9Very high82 Ų8246.9 Ų46.953%0.53225%0.246SC..  trans-73.2-35.5-172.828.2-35.6000113.6S212 Y220S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-Y220 HydrophobicContact CG-CE1 3.76Å; P214-Y220 HydrophobicContact CG-CE2 4.38Å; P214-Y220 WeakPolarHBondContact CG-OH 3.01Å
215S88.6Confident91.8Very high36 Ų3646.5 Ų46.525%0.25225%0.246SC..  trans-119.3147.1178.1-1690000111.5D217S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 3.15Å; S215-D217 PolarHBondContact OG-OD2 3.17Å
216G88.3Confident91.7Very high17 Ų1752.5 Ų52.518%0.17527%0.272CS..  trans-88.98.6170.300000113.7A250G216-A250 PolarHBondContact O-N 2.88Å
217D92.5Very high91.6Very high103 Ų10355.1 Ų55.155%0.55129%0.29SS*.  trans-72.9133179.9-59.1-37000111.3S215 K219 Y220S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 3.15Å; S215-D217 PolarHBondContact OG-OD2 3.17Å; D217-K219 VanDerWaalsContact C-N 3.34Å; D217-K219 PolarHBondContact O-N 3.11Å; D217-Y220 PolarHBondContact O-N 3.06Å
218A92.6Very high91.5Very high6 Ų656.1 Ų56.15%0.0529%0.294CS..Hα-helixtrans-57.5-44.1177.900000113.1Y220 L221 E222 E253 I254A218-Y220 VanDerWaalsContact C-N 3.26Å; A218-Y220 PolarHBondContact O-N 3.03Å; A218-L221 PolarHBondContact O-N 3.33Å; A218-E222 PolarHBondContact O-N 3.11Å; A218-E253 HydrophobicContact CB-CB 3.9Å; A218-E253 HydrophobicContact CB-CG 3.94Å; A218-E253 WeakPolarHBondContact CB-OE2 3.22Å; A218-I254 HydrophobicContact CB-CD1 3.81Å; A218-I254 HydrophobicContact CB-CG1 3.79Å
219K93Very high91.5Very high159 Ų15961.1 Ų61.169%0.69132%0.321SS*.Hα-helixtrans-56.4-40.1-179.2-66.4-177.5179.9178.30112.7D217 L221 E222 D223D217-K219 VanDerWaalsContact C-N 3.34Å; D217-K219 PolarHBondContact O-N 3.11Å; K219-L221 VanDerWaalsContact C-N 3.28Å; K219-L221 PolarHBondContact O-N 3.49Å; K219-E222 PolarHBondContact O-N 2.9Å; K219-D223 PolarHBondContact O-N 3.47Å
220Y92.5Very high91.5Very high40 Ų4057.7 Ų57.716%0.15730%0.302CS..Hα-helixtrans-63.2-37.9179.1-179-99.9000111.8D69 V71 L213 P214 D217 A218 D223 I224D69-Y220 PolarHBondContact O-OH 3.16Å; D69-Y220 VanDerWaalsContact O-OH 3.07Å; V71-Y220 HydrophobicContact CG2-CD2 4.1Å; V71-Y220 HydrophobicContact CG2-CE2 3.53Å; L213-Y220 HydrophobicContact CD2-CE1 4.28Å; P214-Y220 HydrophobicContact CG-CE1 3.76Å; P214-Y220 HydrophobicContact CG-CE2 4.38Å; P214-Y220 WeakPolarHBondContact CG-OH 3.01Å; D217-Y220 PolarHBondContact O-N 3.06Å; A218-Y220 VanDerWaalsContact C-N 3.26Å; A218-Y220 PolarHBondContact O-N 3.03Å; Y220-D223 PolarHBondContact O-N 3.22Å; Y220-I224 HydrophobicContact CD1-CD1 3.8Å; Y220-I224 HydrophobicContact CE1-CD1 3.31Å; Y220-I224 HydrophobicContact CE1-CG1 4.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.38Å; Y220-I224 PolarHBondContact O-N 2.59Å; Y220-I224 VanDerWaalsContact O-N 3.09Å
221L93.2Very high91.5Very high5 Ų558.9 Ų58.93%0.02632%0.317CS..Hα-helixtrans-74.2-34.1178.2-157.3159.1000111.3A218 K219 I224 A225 F236 A250 F257A218-L221 PolarHBondContact O-N 3.33Å; K219-L221 VanDerWaalsContact C-N 3.28Å; K219-L221 PolarHBondContact O-N 3.49Å; L221-I224 PolarHBondContact O-N 3.34Å; L221-A225 PolarHBondContact O-N 3.45Å; L221-F236 HydrophobicContact CD1-CZ 4.44Å; L221-F236 HydrophobicContact CD2-CE2 4.04Å; L221-F236 HydrophobicContact CD2-CZ 3.86Å; L221-A250 HydrophobicContact CB-CB 4.24Å; L221-A250 HydrophobicContact CD1-CB 3.62Å; L221-F257 HydrophobicContact CD2-CD2 3.23Å; L221-F257 HydrophobicContact CD2-CE2 3.07Å; L221-F257 HydrophobicContact CD2-CG 4.3Å; L221-F257 HydrophobicContact CD2-CZ 4.05Å; L221-F257 HydrophobicContact CG-CE2 4.44Å
222E93.1Very high91.6Very high95 Ų9559.5 Ų59.544%0.44432%0.318SS..Hα-helixtrans-63-45.1169.6-66.5-178.7156.500111.9A218 K219 I224 A225 E226 I254 F257A218-E222 PolarHBondContact O-N 3.11Å; K219-E222 PolarHBondContact O-N 2.9Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 3.23Å; E222-A225 WeakPolarHBondContact O-CB 3.46Å; E222-A225 PolarHBondContact O-N 3.47Å; E222-E226 PolarHBondContact O-N 3.44Å; E222-I254 HydrophobicContact CG-CD1 3.62Å; E222-I254 HydrophobicContact CG-CG1 4.34Å; E222-F257 HydrophobicContact CG-CE2 4.42Å
223D93.8Very high92Very high80 Ų8059.4 Ų59.443%0.42832%0.317SS..Hα-helixtrans-61.2-38.8177.3-66.3-22.8000111.6V71 K219 Y220 S227V71-D223 HydrophobicContact CG1-CB 4.11Å; K219-D223 PolarHBondContact O-N 3.47Å; Y220-D223 PolarHBondContact O-N 3.22Å; D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.44Å; D223-S227 PolarHBondContact O-N 2.95Å; D223-S227 PolarHBondContact O-OG 2.94Å
224I93.9Very high92.4Very high1 Ų159 Ų591%0.00532%0.315CS..Hα-helixtrans-61-48.7171.3-75.3168.1000110.6L213 Y220 L221 E222 E226 S227 R228 W230L213-I224 HydrophobicContact CD2-CD1 4.04Å; Y220-I224 HydrophobicContact CD1-CD1 3.8Å; Y220-I224 HydrophobicContact CE1-CD1 3.31Å; Y220-I224 HydrophobicContact CE1-CG1 4.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.38Å; Y220-I224 PolarHBondContact O-N 2.59Å; Y220-I224 VanDerWaalsContact O-N 3.09Å; L221-I224 PolarHBondContact O-N 3.34Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 3.23Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.26Å; I224-S227 PolarHBondContact O-OG 3.31Å; I224-S227 VanDerWaalsContact O-OG 3.12Å; I224-R228 HydrophobicContact CG2-CG 4.45Å; I224-R228 VanDerWaalsContact O-CB 3.3Å; I224-R228 WeakPolarHBondContact O-CB 2.99Å; I224-R228 VanDerWaalsContact O-CG 3.3Å; I224-R228 WeakPolarHBondContact O-CG 3.3Å; I224-R228 PolarHBondContact O-N 2.89Å; I224-W230 HydrophobicContact CG2-CE3 4.27Å; I224-W230 HydrophobicContact CG2-CH2 3.5Å; I224-W230 HydrophobicContact CG2-CZ2 3.99Å; I224-W230 HydrophobicContact CG2-CZ3 3.65Å
225A93.6Very high92.8Very high6 Ų655.2 Ų55.25%0.0529%0.29CS..Hα-helixtrans-64.3-36.8-177.900000112.4L221 E222 N229 W230 F257L221-A225 PolarHBondContact O-N 3.45Å; E222-A225 WeakPolarHBondContact O-CB 3.46Å; E222-A225 PolarHBondContact O-N 3.47Å; A225-N229 WeakPolarHBondContact O-CA 2.89Å; A225-N229 PolarHBondContact O-N 2.89Å; A225-N229 VanDerWaalsContact O-N 3.1Å; A225-W230 HydrophobicContact CB-CB 4.29Å; A225-W230 HydrophobicContact CB-CE3 4.1Å; A225-W230 PolarHBondContact O-N 2.86Å; A225-F257 HydrophobicContact CB-CE1 4.46Å; A225-F257 HydrophobicContact CB-CZ 3.71Å
226E93.5Very high93.2Very high149 Ų14953.6 Ų53.670%0.69628%0.279SS*.Hα-helixtrans-70.9-50.5177-173.2171.2-168.400111.5E222 I224 R228 N229E222-E226 PolarHBondContact O-N 3.44Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.26Å; E226-R228 VanDerWaalsContact C-N 3.33Å; E226-R228 PolarHBondContact O-N 2.94Å; E226-N229 PolarHBondContact O-N 3.05Å; E226-N229 PolarHBondContact O-OD1 3.05Å
227S94.3Very high93.6Very high57 Ų5752.8 Ų52.840%0.39927%0.27SS..Hα-helixtrans-63.8-35.4-17960.10000113.4V71 D223 I224V71-S227 WeakPolarHBondContact CG1-OG 3.17Å; V71-S227 PolarHBondContact O-OG 3.36Å; D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.44Å; D223-S227 PolarHBondContact O-N 2.95Å; D223-S227 PolarHBondContact O-OG 2.94Å; I224-S227 PolarHBondContact O-OG 3.31Å; I224-S227 VanDerWaalsContact O-OG 3.12Å
228R92.6Very high93.6Very high21 Ų2148.3 Ų48.38%0.07925%0.247CC..THydrogen-bonded Turntrans-92.90179.4-56.4-176.3-172.2-163.33.9113.8S67 K70 V71 E72 E73 I224 E226 W230S67-R228 PolarHBondContact O-NH1 3.3Å; S67-R228 PolarHBondContact O-NH2 3.36Å; K70-R228 PolarHBondContact O-NH2 3.29Å; V71-R228 PolarHBondContact O-NE 3.25Å; E72-R228 PolarHBondContact O-NH2 2.88Å; E73-R228 HydrophobicContact CB-CG 4.21Å; I224-R228 HydrophobicContact CG2-CG 4.45Å; I224-R228 VanDerWaalsContact O-CB 3.3Å; I224-R228 WeakPolarHBondContact O-CB 2.99Å; I224-R228 VanDerWaalsContact O-CG 3.3Å; I224-R228 WeakPolarHBondContact O-CG 3.3Å; I224-R228 PolarHBondContact O-N 2.89Å; E226-R228 VanDerWaalsContact C-N 3.33Å; E226-R228 PolarHBondContact O-N 2.94Å; R228-W230 HydrophobicContact CB-CG 4.43Å; R228-W230 PolarHBondContact O-N 3.36Å
229N92.1Very high93.6Very high139 Ų13952.7 Ų52.774%0.74327%0.265SS*.THydrogen-bonded Turntrans55.843.1-179.7-60.7-65000114.8A225 E226 G231A225-N229 WeakPolarHBondContact O-CA 2.89Å; A225-N229 PolarHBondContact O-N 2.89Å; A225-N229 VanDerWaalsContact O-N 3.1Å; E226-N229 PolarHBondContact O-N 3.05Å; E226-N229 PolarHBondContact O-OD1 3.05Å; N229-G231 PolarHBondContact O-N 3.05Å; N229-G231 VanDerWaalsContact O-N 3.12Å
230W92.4Very high93.4Very high11 Ų1151.3 Ų51.34%0.04226%0.261CS..  trans-71.81.6175.4-65.2-8.9000114.1L68 V205 I224 A225 R228 V234 F236 T275 V277L68-W230 HydrophobicContact CD2-CH2 3.74Å; L68-W230 HydrophobicContact CD2-CZ2 4.25Å; V205-W230 HydrophobicContact CG1-CZ2 4.1Å; I224-W230 HydrophobicContact CG2-CE3 4.27Å; I224-W230 HydrophobicContact CG2-CH2 3.5Å; I224-W230 HydrophobicContact CG2-CZ2 3.99Å; I224-W230 HydrophobicContact CG2-CZ3 3.65Å; A225-W230 HydrophobicContact CB-CB 4.29Å; A225-W230 HydrophobicContact CB-CE3 4.1Å; A225-W230 PolarHBondContact O-N 2.86Å; R228-W230 HydrophobicContact CB-CG 4.43Å; R228-W230 PolarHBondContact O-N 3.36Å; W230-V234 HydrophobicContact CB-CG2 3.82Å; W230-V234 HydrophobicContact CE3-CG1 4.26Å; W230-V234 HydrophobicContact CE3-CG2 4.31Å; W230-F236 HydrophobicContact CZ3-CE1 4.02Å; W230-F236 AromaticContact CZ3-CZ 3.94Å; W230-F236 HydrophobicContact CZ3-CZ 3.94Å; W230-T275 VanDerWaalsContact C-OG1 3.29Å; W230-T275 WeakPolarHBondContact CA-OG1 3.45Å; W230-T275 HydrophobicContact CB-CG2 3.98Å; W230-T275 HydrophobicContact CD2-CG2 4.46Å; W230-T275 HydrophobicContact CG-CG2 3.91Å; W230-T275 VanDerWaalsContact O-CB 3.3Å; W230-T275 WeakPolarHBondContact O-CB 3.31Å; W230-T275 PolarHBondContact O-OG1 3.24Å; W230-V277 HydrophobicContact CE3-CG2 4.35Å; W230-V277 HydrophobicContact CH2-CG2 4.34Å; W230-V277 HydrophobicContact CZ2-CG2 4.5Å; W230-V277 HydrophobicContact CZ3-CG2 4.28Å
231G89.5Confident93.1Very high36 Ų3655.2 Ų55.237%0.37128%0.284SS..  trans73.3-166.7-17900000113.7N229N229-G231 PolarHBondContact O-N 3.05Å; N229-G231 VanDerWaalsContact O-N 3.12Å
232F90.1Very high92.8Very high173 Ų17360.4 Ų60.476%0.75932%0.316SS*.SBendtrans-77.8-23.9-169.7-65-77.2000114.1S256F232-S256 WeakPolarHBondContact O-CB 3.24Å; F232-S256 PolarHBondContact O-OG 3.12Å
233S95.4Very high92.5Very high24 Ų2457 Ų5717%0.16830%0.304CS..  trans-143.1130-172.3590000110.8S256 H273 Q274 T275S233-S256 WeakPolarHBondContact CA-O 3.3Å; S233-H273 WeakPolarHBondContact OG-CA 3.42Å; S233-Q274 PolarHBondContact O-N 3.27Å; S233-Q274 PolarHBondContact OG-N 2.87Å; S233-T275 PolarHBondContact O-N 2.98Å
234V97.2Very high92.4Very high0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-129.7137.9-170.3-175.60000109.5W230 F236 S256 F257 N258 H273 T275 V277W230-V234 HydrophobicContact CB-CG2 3.82Å; W230-V234 HydrophobicContact CE3-CG1 4.26Å; W230-V234 HydrophobicContact CE3-CG2 4.31Å; V234-F236 HydrophobicContact CB-CE2 4.3Å; V234-F236 HydrophobicContact CB-CZ 4.46Å; V234-F236 HydrophobicContact CG1-CD2 4.4Å; V234-F236 HydrophobicContact CG1-CE1 4.14Å; V234-F236 HydrophobicContact CG1-CE2 3.88Å; V234-F236 HydrophobicContact CG1-CZ 3.72Å; V234-S256 PolarHBondContact N-O 3.31Å; V234-F257 HydrophobicContact CB-CD1 3.58Å; V234-F257 HydrophobicContact CB-CE1 3.81Å; V234-F257 HydrophobicContact CB-CG 4.39Å; V234-F257 HydrophobicContact CG2-CD1 3.83Å; V234-F257 HydrophobicContact CG2-CE1 3.48Å; V234-F257 VanDerWaalsContact CG2-CE1 3.48Å; V234-F257 HydrophobicContact CG2-CZ 4.31Å; V234-F257 WeakPolarHBondContact O-CA 3.23Å; V234-N258 PolarHBondContact O-N 3.35Å; V234-H273 PolarHBondContact O-CD2 3.24Å; V234-T275 WeakPolarHBondContact CA-O 3.3Å; V234-V277 HydrophobicContact CG1-CG2 3.53Å
235L97.2Very high92.2Very high2 Ų262.9 Ų62.91%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-111.5115174-178.964000109.9V237 N258 M260 L265 H273 T275 V277L235-V237 HydrophobicContact CD2-CG2 4.31Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; L235-N258 WeakPolarHBondContact CA-O 3.46Å; L235-N258 HydrophobicContact CD1-CB 4.03Å; L235-M260 HydrophobicContact CD1-CB 4Å; L235-L265 HydrophobicContact CD2-CD1 4.17Å; L235-H273 HydrophobicContact CB-CB 3.97Å; L235-T275 PolarHBondContact N-O 3.2Å; L235-V277 PolarHBondContact O-N 3.43Å
236F96.3Very high92.2Very high2 Ų265.5 Ų65.51%0.00934%0.342CS..EExtended strand (participates in β ladder)trans-90.5130.2170.4-62-77.7000109.6F210 L221 W230 V234 L247 F257 N258 L259 M260 V277F210-F236 AromaticContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CE1-CD1 3.84Å; F210-F236 HydrophobicContact CZ-CB 4.2Å; F210-F236 AromaticContact CZ-CD1 3.95Å; F210-F236 HydrophobicContact CZ-CD1 3.95Å; L221-F236 HydrophobicContact CD1-CZ 4.44Å; L221-F236 HydrophobicContact CD2-CE2 4.04Å; L221-F236 HydrophobicContact CD2-CZ 3.86Å; W230-F236 HydrophobicContact CZ3-CE1 4.02Å; W230-F236 AromaticContact CZ3-CZ 3.94Å; W230-F236 HydrophobicContact CZ3-CZ 3.94Å; V234-F236 HydrophobicContact CB-CE2 4.3Å; V234-F236 HydrophobicContact CB-CZ 4.46Å; V234-F236 HydrophobicContact CG1-CD2 4.4Å; V234-F236 HydrophobicContact CG1-CE1 4.14Å; V234-F236 HydrophobicContact CG1-CE2 3.88Å; V234-F236 HydrophobicContact CG1-CZ 3.72Å; F236-L247 HydrophobicContact CB-CD1 4.39Å; F236-L247 HydrophobicContact CB-CD2 4.27Å; F236-L247 HydrophobicContact CD1-CD1 4.16Å; F236-L247 HydrophobicContact CG-CD1 4.23Å; F236-L247 HydrophobicContact CG-CD2 4.39Å; F236-F257 HydrophobicContact CE2-CB 4.21Å; F236-F257 HydrophobicContact CE2-CD2 4.47Å; F236-F257 HydrophobicContact CE2-CG 4.28Å; F236-N258 PolarHBondContact N-O 3.48Å; F236-L259 HydrophobicContact CB-CD1 4.03Å; F236-L259 WeakPolarHBondContact O-CA 3.49Å; F236-M260 PolarHBondContact O-N 2.66Å; F236-V277 HydrophobicContact CD1-CB 3.65Å; F236-V277 HydrophobicContact CD1-CG1 3.96Å; F236-V277 HydrophobicContact CD1-CG2 4.09Å; F236-V277 HydrophobicContact CE1-CB 3.81Å; F236-V277 HydrophobicContact CE1-CG1 3.99Å; F236-V277 HydrophobicContact CE1-CG2 3.77Å; F236-V277 HydrophobicContact CZ-CG2 4.49Å
237V96.1Very high92.1Very high0 Ų058.4 Ų58.40%031%0.309CS..EExtended strand (participates in β ladder)trans-120.1121.3178-168.30000111F210 L235 M260 A262 L265 L276 V277 L278 P279 T282F210-V237 WeakPolarHBondContact CE2-O 3.4Å; L235-V237 HydrophobicContact CD2-CG2 4.31Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; V237-M260 CarbonylContact C-O 3.4Å; V237-M260 WeakPolarHBondContact CA-O 3.36Å; V237-A262 HydrophobicContact CG1-CB 4.16Å; V237-L265 HydrophobicContact CG2-CD1 3.85Å; V237-L276 HydrophobicContact CG2-CD2 4.2Å; V237-V277 PolarHBondContact N-O 2.73Å; V237-V277 VanDerWaalsContact N-O 3.13Å; V237-L278 HydrophobicContact CB-CD2 3.43Å; V237-L278 VanDerWaalsContact CB-CD2 3.43Å; V237-L278 HydrophobicContact CG1-CD2 4.22Å; V237-L278 HydrophobicContact CG2-CD2 3.66Å; V237-P279 WeakPolarHBondContact O-CD 3.29Å; V237-T282 HydrophobicContact CB-CG2 4.36Å; V237-T282 HydrophobicContact CG1-CG2 3.98Å; V237-T282 PolarHBondContact O-OG1 3.37Å
238C93.9Very high92.1Very high9 Ų957.5 Ų57.56%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-104.2146177.9-63.30000111.4F210 L259 M260 P261 A262F210-C238 WeakPolarHBondContact CD2-SG 3.48Å; F210-C238 VanDerWaalsContact CE2-SG 3.54Å; C238-L259 VanDerWaalsContact SG-CD1 3.58Å; C238-M260 PolarHBondContact N-O 3.3Å; C238-P261 CarbonylContact O-C 3.58Å; C238-P261 WeakPolarHBondContact O-CA 3.17Å; C238-A262 WeakPolarHBondContact O-CB 3.3Å; C238-A262 PolarHBondContact O-N 2.83Å
239K92.1Very high92.1Very high98 Ų9861.4 Ų61.443%0.42633%0.327SS..SBendtrans-67.6-41.8172.2176.6-177.2169.7-171.80111.5D281 T282 Y285K239-D281 HydrophobicContact CD-CB 4.16Å; K239-T282 WeakPolarHBondContact CB-OG1 3.45Å; K239-T282 PolarHBondContact N-OG1 3.12Å; K239-Y285 HydrophobicContact CG-CD1 4.49Å; K239-Y285 HydrophobicContact CG-CD2 4.44Å; K239-Y285 HydrophobicContact CG-CG 4.12Å
240E88.8Confident92.1Very high129 Ų12954.9 Ų54.960%0.60329%0.292SS*.SBendtrans-84.2154.8-175.6-61.2179.3176.900112.1V242E240-V242 VanDerWaalsContact C-N 3.32Å
241D86.1Confident92.1Very high122 Ų12255 Ų5565%0.65230%0.295SS*.SBendtrans-67.6-35174.3-81-46.1000112.3Y263D241-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D241-Y263 PolarHBondContact OD1-OH 3.48Å
242V87.6Confident92.3Very high115 Ų11558 Ų5870%0.69731%0.309SS*.SBendtrans-94.8114.4178.9-176.60000108.1E240E240-V242 VanDerWaalsContact C-N 3.32Å
243A86.5Confident92.4Very high23 Ų2356.8 Ų56.819%0.1931%0.306CS..  trans-78.2154.1174.500000111.8L259A243-L259 HydrophobicContact CB-CD1 4.11Å; A243-L259 HydrophobicContact CB-CD2 3.24Å; A243-L259 HydrophobicContact CB-CG 4.11Å
244P90.9Very high92.3Very high28 Ų2856.1 Ų56.118%0.18230%0.301CS..  trans-62.1141.3176.723.8-31.6000111.2F210 E211 N246 L247 A248F210-P244 HydrophobicContact CB-CG 3.68Å; E211-P244 HydrophobicContact CG-CB 4.17Å; P244-N246 VanDerWaalsContact C-N 3.34Å; P244-N246 PolarHBondContact O-N 3.41Å; P244-L247 HydrophobicContact CG-CB 3.99Å; P244-L247 PolarHBondContact O-N 3.43Å; P244-A248 PolarHBondContact O-N 2.93Å
245K90.5Very high92Very high177 Ų17760.9 Ų60.977%0.7734%0.34SS*.Hα-helixtrans-56-45.3-170.4-65.5178.6-178.3174.70112.8L247 A248 L249K245-L247 PolarHBondContact O-N 3.37Å; K245-A248 PolarHBondContact O-N 2.95Å; K245-L249 VanDerWaalsContact O-CG 3.3Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.43Å
246N92.3Very high91.8Very high60 Ų6063 Ų6332%0.32136%0.355SS..Hα-helixtrans-62.8-45.1-177-65.9-1.5000111.5L213 P244 L249 A250L213-N246 HydrophobicContact CB-CB 4.45Å; L213-N246 PolarHBondContact O-ND2 2.84Å; P244-N246 VanDerWaalsContact C-N 3.34Å; P244-N246 PolarHBondContact O-N 3.41Å; N246-L249 PolarHBondContact O-N 2.94Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.07Å
247L93Very high91.8Very high0 Ų063.3 Ų63.30%036%0.356CS..Hα-helixtrans-66.3-43.1178.7-168.2155.3000111.2F210 L213 F236 P244 K245 L249 A250 C251 L259F210-L247 HydrophobicContact CB-CD1 3.87Å; F210-L247 HydrophobicContact CD1-CD1 3.74Å; F210-L247 HydrophobicContact CD2-CD1 3.93Å; F210-L247 HydrophobicContact CE1-CD1 4.18Å; F210-L247 HydrophobicContact CE2-CD1 4.32Å; F210-L247 HydrophobicContact CG-CD1 3.6Å; F210-L247 HydrophobicContact CZ-CD1 4.44Å; L213-L247 HydrophobicContact CD1-CB 4Å; L213-L247 HydrophobicContact CD1-CD1 4.11Å; L213-L247 HydrophobicContact CD1-CG 4.23Å; F236-L247 HydrophobicContact CB-CD1 4.39Å; F236-L247 HydrophobicContact CB-CD2 4.27Å; F236-L247 HydrophobicContact CD1-CD1 4.16Å; F236-L247 HydrophobicContact CG-CD1 4.23Å; F236-L247 HydrophobicContact CG-CD2 4.39Å; P244-L247 HydrophobicContact CG-CB 3.99Å; P244-L247 PolarHBondContact O-N 3.43Å; K245-L247 PolarHBondContact O-N 3.37Å; L247-L249 PolarHBondContact O-N 3.34Å; L247-A250 PolarHBondContact O-N 3.38Å; L247-C251 VanDerWaalsContact CD2-SG 3.57Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 PolarHBondContact O-SG 3.14Å; L247-L259 HydrophobicContact CD2-CB 4.29Å; L247-L259 HydrophobicContact CD2-CD1 3.54Å; L247-L259 HydrophobicContact CD2-CD2 3.8Å; L247-L259 HydrophobicContact CD2-CG 4.06Å
248A92.8Very high91.8Very high38 Ų3866 Ų6631%0.31437%0.37SS..Hα-helixtrans-62.6-41.8179.200000112.1P244 K245 S252 L259P244-A248 PolarHBondContact O-N 2.93Å; K245-A248 PolarHBondContact O-N 2.95Å; A248-S252 VanDerWaalsContact O-CB 3.32Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.12Å; A248-L259 HydrophobicContact CB-CD2 4.42Å
249L92.8Very high91.8Very high104 Ų10468.3 Ų68.355%0.54538%0.382SS..Hα-helixtrans-62.9-51.8175.6-70.4173000111.1K245 N246 L247 C251 S252K245-L249 VanDerWaalsContact O-CG 3.3Å; K245-L249 WeakPolarHBondContact O-CG 3.25Å; K245-L249 PolarHBondContact O-N 3.43Å; N246-L249 PolarHBondContact O-N 2.94Å; L247-L249 PolarHBondContact O-N 3.34Å; L249-C251 PolarHBondContact O-N 2.97Å; L249-S252 PolarHBondContact O-N 2.87Å; L249-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-OG 2.89Å
250A92.4Very high91.9Very high2 Ų265.7 Ų65.72%0.01737%0.372CS..Hα-helixtrans-61-43.4179.800000112.6G216 L221 N246 L247 S252 E253 I254G216-A250 PolarHBondContact O-N 2.88Å; L221-A250 HydrophobicContact CB-CB 4.24Å; L221-A250 HydrophobicContact CD1-CB 3.62Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.07Å; L247-A250 PolarHBondContact O-N 3.38Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 2.95Å; A250-E253 PolarHBondContact O-N 2.87Å; A250-I254 PolarHBondContact O-N 3.34Å
251C93.2Very high92.2Very high14 Ų1461.2 Ų61.210%0.09535%0.354CS..Hα-helixtrans-69.8-25.9177.9-69.50000113.2L247 L249 E253L247-C251 VanDerWaalsContact CD2-SG 3.57Å; L247-C251 VanDerWaalsContact O-CB 3.32Å; L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 PolarHBondContact O-SG 3.14Å; L249-C251 PolarHBondContact O-N 2.97Å; C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.38Å
252S92.6Very high92.5Very high97 Ų9755.5 Ų55.568%0.67832%0.324SS*.Hα-helixtrans-69.7-28179.673.50000113A248 L249 A250A248-S252 VanDerWaalsContact O-CB 3.32Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.12Å; L249-S252 PolarHBondContact O-N 2.87Å; L249-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-OG 2.89Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 2.95Å
253E93.7Very high92.7Very high149 Ų14957.4 Ų57.470%0.69632%0.319SS*.Hα-helixtrans-83.9-32178.9-170.9168.9-170.300111.8A218 A250 C251A218-E253 HydrophobicContact CB-CB 3.9Å; A218-E253 HydrophobicContact CB-CG 3.94Å; A218-E253 WeakPolarHBondContact CB-OE2 3.22Å; A250-E253 PolarHBondContact O-N 2.87Å; C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.38Å
254I93.1Very high92.9Very high10 Ų1057.2 Ų57.25%0.05132%0.32CS..  trans-99109.5-174.7-55.8165.7000111.4A218 E222 A250 S256 F257A218-I254 HydrophobicContact CB-CD1 3.81Å; A218-I254 HydrophobicContact CB-CG1 3.79Å; E222-I254 HydrophobicContact CG-CD1 3.62Å; E222-I254 HydrophobicContact CG-CG1 4.34Å; A250-I254 PolarHBondContact O-N 3.34Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 WeakPolarHBondContact CG2-OG 3.45Å; I254-S256 PolarHBondContact O-N 2.65Å; I254-F257 HydrophobicContact CB-CB 4.41Å; I254-F257 HydrophobicContact CB-CD2 3.92Å; I254-F257 HydrophobicContact CB-CG 4.36Å; I254-F257 HydrophobicContact CD1-CD2 3.52Å; I254-F257 HydrophobicContact CD1-CE2 3.61Å; I254-F257 HydrophobicContact CG1-CD2 4.34Å; I254-F257 HydrophobicContact CG2-CB 4.2Å; I254-F257 HydrophobicContact CG2-CD1 4.37Å; I254-F257 HydrophobicContact CG2-CD2 3.59Å; I254-F257 HydrophobicContact CG2-CE2 3.99Å; I254-F257 HydrophobicContact CG2-CG 3.82Å; I254-F257 PolarHBondContact O-N 3.44Å
255A90.8Very high93.1Very high99 Ų9956.6 Ų56.682%0.81832%0.315SS*.THydrogen-bonded Turntrans-67.9-21.2-178.500000115
256S93.5Very high93.3Very high46 Ų4649.9 Ų49.932%0.32229%0.287SS..THydrogen-bonded Turntrans-80.5-21.1179.559.90000113.3F232 S233 V234 I254F232-S256 WeakPolarHBondContact O-CB 3.24Å; F232-S256 PolarHBondContact O-OG 3.12Å; S233-S256 WeakPolarHBondContact CA-O 3.3Å; V234-S256 PolarHBondContact N-O 3.31Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 WeakPolarHBondContact CG2-OG 3.45Å; I254-S256 PolarHBondContact O-N 2.65Å
257F95.5Very high93.5Very high10 Ų1047.1 Ų47.14%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-96.2136.6177.8-60.9-19.2000110L221 E222 A225 V234 F236 I254L221-F257 HydrophobicContact CD2-CD2 3.23Å; L221-F257 HydrophobicContact CD2-CE2 3.07Å; L221-F257 HydrophobicContact CD2-CG 4.3Å; L221-F257 HydrophobicContact CD2-CZ 4.05Å; L221-F257 HydrophobicContact CG-CE2 4.44Å; E222-F257 HydrophobicContact CG-CE2 4.42Å; A225-F257 HydrophobicContact CB-CE1 4.46Å; A225-F257 HydrophobicContact CB-CZ 3.71Å; V234-F257 HydrophobicContact CB-CD1 3.58Å; V234-F257 HydrophobicContact CB-CE1 3.81Å; V234-F257 HydrophobicContact CB-CG 4.39Å; V234-F257 HydrophobicContact CG2-CD1 3.83Å; V234-F257 HydrophobicContact CG2-CE1 3.48Å; V234-F257 VanDerWaalsContact CG2-CE1 3.48Å; V234-F257 HydrophobicContact CG2-CZ 4.31Å; V234-F257 WeakPolarHBondContact O-CA 3.23Å; F236-F257 HydrophobicContact CE2-CB 4.21Å; F236-F257 HydrophobicContact CE2-CD2 4.47Å; F236-F257 HydrophobicContact CE2-CG 4.28Å; I254-F257 HydrophobicContact CB-CB 4.41Å; I254-F257 HydrophobicContact CB-CD2 3.92Å; I254-F257 HydrophobicContact CB-CG 4.36Å; I254-F257 HydrophobicContact CD1-CD2 3.52Å; I254-F257 HydrophobicContact CD1-CE2 3.61Å; I254-F257 HydrophobicContact CG1-CD2 4.34Å; I254-F257 HydrophobicContact CG2-CB 4.2Å; I254-F257 HydrophobicContact CG2-CD1 4.37Å; I254-F257 HydrophobicContact CG2-CD2 3.59Å; I254-F257 HydrophobicContact CG2-CE2 3.99Å; I254-F257 HydrophobicContact CG2-CG 3.82Å; I254-F257 PolarHBondContact O-N 3.44Å
258N95.3Very high93.6Very high55 Ų5549.9 Ų49.929%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-128141.5178.5-73.5-72.5000109.6V234 L235 F236 K272 H273V234-N258 PolarHBondContact O-N 3.35Å; L235-N258 WeakPolarHBondContact CA-O 3.46Å; L235-N258 HydrophobicContact CD1-CB 4.03Å; F236-N258 PolarHBondContact N-O 3.48Å; N258-K272 PolarHBondContact ND2-NZ 3.38Å; N258-H273 PolarHBondContact ND2-NE2 2.87Å
259L94.1Very high93.7Very high59 Ų5949 Ų4931%0.30928%0.276SS..EExtended strand (participates in β ladder)trans-110.5131.6176.1173.661.2000108.6F236 C238 A243 L247 A248F236-L259 HydrophobicContact CB-CD1 4.03Å; F236-L259 WeakPolarHBondContact O-CA 3.49Å; C238-L259 VanDerWaalsContact SG-CD1 3.58Å; A243-L259 HydrophobicContact CB-CD1 4.11Å; A243-L259 HydrophobicContact CB-CD2 3.24Å; A243-L259 HydrophobicContact CB-CG 4.11Å; L247-L259 HydrophobicContact CD2-CB 4.29Å; L247-L259 HydrophobicContact CD2-CD1 3.54Å; L247-L259 HydrophobicContact CD2-CD2 3.8Å; L247-L259 HydrophobicContact CD2-CG 4.06Å; A248-L259 HydrophobicContact CB-CD2 4.42Å
260M94.6Very high93.9Very high43 Ų4344.1 Ų44.121%0.21225%0.251CS..EExtended strand (participates in β ladder)trans-140.1142.2-177.8-164.2167-152.100111.5L235 F236 V237 C238 G264L235-M260 HydrophobicContact CD1-CB 4Å; F236-M260 PolarHBondContact O-N 2.66Å; V237-M260 CarbonylContact C-O 3.4Å; V237-M260 WeakPolarHBondContact CA-O 3.36Å; C238-M260 PolarHBondContact N-O 3.3Å; M260-G264 VanDerWaalsContact CE-C 3.47Å; M260-G264 WeakPolarHBondContact CE-O 3.42Å
261P95.3Very high94Very high34 Ų3448 Ų4822%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-75156170.230.8-35.7000111.6C238 Y263 G264 L265C238-P261 CarbonylContact O-C 3.58Å; C238-P261 WeakPolarHBondContact O-CA 3.17Å; P261-Y263 VanDerWaalsContact C-N 3.35Å; P261-Y263 HydrophobicContact CB-CD1 3.95Å; P261-Y263 HydrophobicContact CB-CE1 3.42Å; P261-Y263 VanDerWaalsContact CB-CE1 3.42Å; P261-Y263 HydrophobicContact CB-CE2 4.35Å; P261-Y263 HydrophobicContact CG-CD1 4.39Å; P261-Y263 HydrophobicContact CG-CD2 4.42Å; P261-Y263 HydrophobicContact CG-CE1 3.75Å; P261-Y263 HydrophobicContact CG-CE2 3.77Å; P261-Y263 PolarHBondContact O-N 3.42Å; P261-G264 WeakPolarHBondContact O-CA 3.32Å; P261-G264 PolarHBondContact O-N 2.88Å; P261-L265 PolarHBondContact O-N 3.13Å
262A92.9Very high94.1Very high3 Ų352.9 Ų52.93%0.02529%0.29CS..G310 helixtrans-62.5-36.3-171.900000113.5V237 C238 G264 L265 T282 Y285 L286V237-A262 HydrophobicContact CG1-CB 4.16Å; C238-A262 WeakPolarHBondContact O-CB 3.3Å; C238-A262 PolarHBondContact O-N 2.83Å; A262-G264 PolarHBondContact O-N 3.26Å; A262-L265 VanDerWaalsContact O-CB 3.3Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 2.92Å; A262-T282 HydrophobicContact CB-CG2 3.88Å; A262-Y285 HydrophobicContact CB-CD1 3.75Å; A262-Y285 HydrophobicContact CB-CE1 3.82Å; A262-L286 HydrophobicContact CB-CD2 4.13Å; A262-L286 HydrophobicContact CB-CG 4.49Å
263Y90.8Very high94.2Very high154 Ų15448.6 Ų48.660%0.60426%0.26SS*.G310 helixtrans-68.7-20.617559.9-96.2000113.2D241 P261D241-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D241-Y263 PolarHBondContact OD1-OH 3.48Å; P261-Y263 VanDerWaalsContact C-N 3.35Å; P261-Y263 HydrophobicContact CB-CD1 3.95Å; P261-Y263 HydrophobicContact CB-CE1 3.42Å; P261-Y263 VanDerWaalsContact CB-CE1 3.42Å; P261-Y263 HydrophobicContact CB-CE2 4.35Å; P261-Y263 HydrophobicContact CG-CD1 4.39Å; P261-Y263 HydrophobicContact CG-CD2 4.42Å; P261-Y263 HydrophobicContact CG-CE1 3.75Å; P261-Y263 HydrophobicContact CG-CE2 3.77Å; P261-Y263 PolarHBondContact O-N 3.42Å
264G90.8Very high94.3Very high19 Ų1945.4 Ų45.420%0.19625%0.245CC..G310 helixtrans-84.7-9.8176.400000113.6M260 P261 A262 N266M260-G264 VanDerWaalsContact CE-C 3.47Å; M260-G264 WeakPolarHBondContact CE-O 3.42Å; P261-G264 WeakPolarHBondContact O-CA 3.32Å; P261-G264 PolarHBondContact O-N 2.88Å; A262-G264 PolarHBondContact O-N 3.26Å; G264-N266 PolarHBondContact O-N 3.23Å; G264-N266 PolarHBondContact O-ND2 2.81Å; G264-N266 VanDerWaalsContact O-ND2 3.11Å
265L95.1Very high94.5Very high16 Ų1645.2 Ų45.28%0.08424%0.244CC..  trans-57.9124.6-175.8-174.263.1000110.8L191 L235 V237 P261 A262 M270 L286L191-L265 HydrophobicContact CD1-CD2 4.35Å; L191-L265 HydrophobicContact CD1-CG 4.24Å; L235-L265 HydrophobicContact CD2-CD1 4.17Å; V237-L265 HydrophobicContact CG2-CD1 3.85Å; P261-L265 PolarHBondContact O-N 3.13Å; A262-L265 VanDerWaalsContact O-CB 3.3Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 2.92Å; L265-M270 HydrophobicContact CD1-CG 3.74Å; L265-M270 HydrophobicContact CD1-SD 4.15Å; L265-M270 HydrophobicContact CD2-SD 4.41Å; L265-M270 HydrophobicContact CG-CG 4.4Å; L265-M270 HydrophobicContact CG-SD 4.19Å; L265-L286 HydrophobicContact CD2-CD1 3.58Å; L265-L286 HydrophobicContact CD2-CD2 4.08Å
266N95.2Very high94.8Very high35 Ų3540.6 Ų40.619%0.18721%0.206CC..  trans-142.8154.8-172.57267000111.6G264 F268 S269 M270G264-N266 PolarHBondContact O-N 3.23Å; G264-N266 PolarHBondContact O-ND2 2.81Å; G264-N266 VanDerWaalsContact O-ND2 3.11Å; N266-F268 VanDerWaalsContact C-N 3.31Å; N266-F268 PolarHBondContact O-N 2.71Å; N266-F268 WeakPolarHBondContact OD1-CB 3.39Å; N266-F268 PolarHBondContact OD1-N 2.77Å; N266-F268 VanDerWaalsContact OD1-N 3.16Å; N266-S269 PolarHBondContact ND2-OG 3.38Å; N266-S269 PolarHBondContact O-N 3.02Å; N266-S269 WeakPolarHBondContact OD1-CB 3.36Å; N266-S269 PolarHBondContact OD1-N 3.12Å; N266-S269 PolarHBondContact OD1-OG 3.36Å; N266-M270 WeakPolarHBondContact O-CG 3.3Å; N266-M270 PolarHBondContact O-N 3.37Å
267C95.7Very high94.9Very high3 Ų338.4 Ų38.42%0.0219%0.19CC..Hα-helixtrans-60-37.2-176.7-52.40000113.2N98 G190 M270 L271N98-C267 HydrophobicContact CB-CB 4.13Å; G190-C267 PolarHBondContact O-SG 3.09Å; C267-M270 PolarHBondContact O-N 3.35Å; C267-L271 WeakPolarHBondContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.16Å; C267-L271 PolarHBondContact O-N 3.43Å
268F96.1Very high94.9Very high58 Ų5838 Ų3825%0.25419%0.188SC..Hα-helixtrans-63.2-46.6177.8175.7-94.3000112.2V99 L103 R106 N266 L271 K272V99-F268 HydrophobicContact CG1-CD2 4.22Å; L103-F268 HydrophobicContact CD2-CD2 4.28Å; L103-F268 HydrophobicContact CD2-CE2 3.85Å; L103-F268 HydrophobicContact CG-CE2 4.49Å; R106-F268 VanDerWaalsContact NH2-CE1 3.26Å; R106-F268 VanDerWaalsContact NH2-CZ 3.32Å; N266-F268 VanDerWaalsContact C-N 3.31Å; N266-F268 PolarHBondContact O-N 2.71Å; N266-F268 WeakPolarHBondContact OD1-CB 3.39Å; N266-F268 PolarHBondContact OD1-N 2.77Å; N266-F268 VanDerWaalsContact OD1-N 3.16Å; F268-L271 PolarHBondContact O-N 3.13Å; F268-K272 HydrophobicContact CE1-CD 4.42Å; F268-K272 VanDerWaalsContact O-CB 3.24Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 2.95Å
269S95.3Very high94.9Very high18 Ų1835.8 Ų35.813%0.12618%0.177CC..Hα-helixtrans-62.8-43.1176.3-68.60000110.5N266 L271 K272 H273N266-S269 PolarHBondContact ND2-OG 3.38Å; N266-S269 PolarHBondContact O-N 3.02Å; N266-S269 WeakPolarHBondContact OD1-CB 3.36Å; N266-S269 PolarHBondContact OD1-N 3.12Å; N266-S269 PolarHBondContact OD1-OG 3.36Å; S269-L271 PolarHBondContact O-N 3.26Å; S269-K272 PolarHBondContact O-N 3.41Å; S269-H273 PolarHBondContact O-N 3.46Å; S269-H273 PolarHBondContact O-ND1 2.87Å
270M95.7Very high94.9Very high2 Ų235 Ų351%0.0117%0.173CC..Hα-helixtrans-63.5-40.5178-66.2174.966.100113.1L191 A194 L195 K198 L265 N266 C267 H273 L276L191-M270 HydrophobicContact CD1-SD 3.75Å; A194-M270 VanDerWaalsContact C-CE 3.43Å; A194-M270 HydrophobicContact CB-CB 4.49Å; A194-M270 HydrophobicContact CB-CE 3.47Å; A194-M270 VanDerWaalsContact CB-CE 3.47Å; A194-M270 HydrophobicContact CB-SD 3.77Å; L195-M270 HydrophobicContact CB-CE 4.31Å; L195-M270 HydrophobicContact CD2-CE 3.52Å; L195-M270 HydrophobicContact CD2-SD 4.44Å; L195-M270 HydrophobicContact CG-CE 3.72Å; K198-M270 WeakPolarHBondContact CE-O 3.23Å; K198-M270 HydrophobicContact CG-CE 4.32Å; L265-M270 HydrophobicContact CD1-CG 3.74Å; L265-M270 HydrophobicContact CD1-SD 4.15Å; L265-M270 HydrophobicContact CD2-SD 4.41Å; L265-M270 HydrophobicContact CG-CG 4.4Å; L265-M270 HydrophobicContact CG-SD 4.19Å; N266-M270 WeakPolarHBondContact O-CG 3.3Å; N266-M270 PolarHBondContact O-N 3.37Å; C267-M270 PolarHBondContact O-N 3.35Å; M270-H273 VanDerWaalsContact O-O 3.07Å; M270-L276 HydrophobicContact CB-CD1 4.39Å; M270-L276 HydrophobicContact CE-CD1 3.56Å; M270-L276 HydrophobicContact CG-CD1 3.73Å; M270-L276 HydrophobicContact SD-CD1 4.24Å
271L94.7Very high94.9Very high83 Ų8336.7 Ų36.744%0.43518%0.183SC..Hα-helixtrans-78.6-23.3179.3-69.4172.9000113.3V99 C267 F268 S269 H273V99-L271 HydrophobicContact CG2-CD1 3.63Å; C267-L271 WeakPolarHBondContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.16Å; C267-L271 PolarHBondContact O-N 3.43Å; F268-L271 PolarHBondContact O-N 3.13Å; S269-L271 PolarHBondContact O-N 3.26Å; L271-H273 VanDerWaalsContact C-N 3.29Å
272K95Very high94.9Very high118 Ų11835 Ų3551%0.51317%0.172SC..Hα-helixtrans-66.8-32.6175.4-178.6-171.9172.5-1510111.6N258 F268 S269N258-K272 PolarHBondContact ND2-NZ 3.38Å; F268-K272 HydrophobicContact CE1-CD 4.42Å; F268-K272 VanDerWaalsContact O-CB 3.24Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 2.95Å; S269-K272 PolarHBondContact O-N 3.41Å
273H96.4Very high95Very high7 Ų735 Ų353%0.03217%0.172CC..  trans-103.8151.8-176.2-54.486.7000111.2K198 S233 V234 L235 N258 S269 M270 L271K198-H273 PolarHBondContact NZ-O 3.45Å; S233-H273 WeakPolarHBondContact OG-CA 3.42Å; V234-H273 PolarHBondContact O-CD2 3.24Å; L235-H273 HydrophobicContact CB-CB 3.97Å; N258-H273 PolarHBondContact ND2-NE2 2.87Å; S269-H273 PolarHBondContact O-N 3.46Å; S269-H273 PolarHBondContact O-ND1 2.87Å; M270-H273 VanDerWaalsContact O-O 3.07Å; L271-H273 VanDerWaalsContact C-N 3.29Å
274Q94.7Very high95.1Very high82 Ų8232 Ų3238%0.38316%0.163SC..SBendtrans-79.2-53.2175.7-72-180-40.500109.6K198 D203 S233K198-Q274 PolarHBondContact NZ-O 3.03Å; D203-Q274 VanDerWaalsContact CB-O 3.29Å; D203-Q274 WeakPolarHBondContact CB-O 3.41Å; S233-Q274 PolarHBondContact O-N 3.27Å; S233-Q274 PolarHBondContact OG-N 2.87Å
275T96.6Very high95.3Very high6 Ų634.1 Ų34.14%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-106.2142.8179.3-62.90000112D203 V205 W230 S233 V234 L235 V277D203-T275 WeakPolarHBondContact O-CA 3.46Å; D203-T275 WeakPolarHBondContact O-CG2 3.41Å; V205-T275 HydrophobicContact CB-CG2 4.31Å; V205-T275 HydrophobicContact CG2-CG2 3.64Å; W230-T275 VanDerWaalsContact C-OG1 3.29Å; W230-T275 WeakPolarHBondContact CA-OG1 3.45Å; W230-T275 HydrophobicContact CB-CG2 3.98Å; W230-T275 HydrophobicContact CD2-CG2 4.46Å; W230-T275 HydrophobicContact CG-CG2 3.91Å; W230-T275 VanDerWaalsContact O-CB 3.3Å; W230-T275 WeakPolarHBondContact O-CB 3.31Å; W230-T275 PolarHBondContact O-OG1 3.24Å; S233-T275 PolarHBondContact O-N 2.98Å; V234-T275 WeakPolarHBondContact CA-O 3.3Å; L235-T275 PolarHBondContact N-O 3.2Å; T275-V277 HydrophobicContact CG2-CG2 4.03Å
276L97Very high95.3Very high2 Ų234 Ų341%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-117.4116.9176.3-165.3173.1000107.8L195 D203 L204 V205 V237 M270 L278L195-L276 HydrophobicContact CD2-CD1 4.45Å; D203-L276 PolarHBondContact O-N 2.71Å; L204-L276 HydrophobicContact CD1-CB 4.32Å; L204-L276 HydrophobicContact CD1-CD2 3.81Å; L204-L276 HydrophobicContact CD1-CG 4.47Å; V205-L276 PolarHBondContact N-O 3.43Å; V237-L276 HydrophobicContact CG2-CD2 4.2Å; M270-L276 HydrophobicContact CB-CD1 4.39Å; M270-L276 HydrophobicContact CE-CD1 3.56Å; M270-L276 HydrophobicContact CG-CD1 3.73Å; M270-L276 HydrophobicContact SD-CD1 4.24Å; L276-L278 HydrophobicContact CD2-CD1 3.86Å; L276-L278 HydrophobicContact CD2-CD2 3.28Å; L276-L278 HydrophobicContact CD2-CG 3.28Å
277V96.3Very high95.2Very high0 Ų032.9 Ų32.90%016%0.159CC..EExtended strand (participates in β ladder)trans-107120.9-177.9-171.10000109.7V205 V207 F210 W230 V234 L235 F236 V237 T275V205-V277 HydrophobicContact CB-CG2 4.29Å; V205-V277 HydrophobicContact CG1-CG1 4.48Å; V205-V277 WeakPolarHBondContact O-CA 3.21Å; V207-V277 HydrophobicContact CB-CG1 4.36Å; V207-V277 HydrophobicContact CG2-CG1 3.46Å; V207-V277 VanDerWaalsContact CG2-CG1 3.46Å; F210-V277 HydrophobicContact CE1-CG1 3.73Å; F210-V277 HydrophobicContact CZ-CG1 4.17Å; W230-V277 HydrophobicContact CE3-CG2 4.35Å; W230-V277 HydrophobicContact CH2-CG2 4.34Å; W230-V277 HydrophobicContact CZ2-CG2 4.5Å; W230-V277 HydrophobicContact CZ3-CG2 4.28Å; V234-V277 HydrophobicContact CG1-CG2 3.53Å; L235-V277 PolarHBondContact O-N 3.43Å; F236-V277 HydrophobicContact CD1-CB 3.65Å; F236-V277 HydrophobicContact CD1-CG1 3.96Å; F236-V277 HydrophobicContact CD1-CG2 4.09Å; F236-V277 HydrophobicContact CE1-CB 3.81Å; F236-V277 HydrophobicContact CE1-CG1 3.99Å; F236-V277 HydrophobicContact CE1-CG2 3.77Å; F236-V277 HydrophobicContact CZ-CG2 4.49Å; V237-V277 PolarHBondContact N-O 2.73Å; V237-V277 VanDerWaalsContact N-O 3.13Å; T275-V277 HydrophobicContact CG2-CG2 4.03Å
278L96.2Very high95.1Very high1 Ų138.7 Ų38.71%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-121.8131.6179.2-59.5-177.8000111L204 V205 I206 V207 V237 L276 T282 V283 L286L204-L278 HydrophobicContact CD1-CD1 3.84Å; L204-L278 HydrophobicContact CD1-CG 4.1Å; V205-L278 PolarHBondContact O-N 3.23Å; I206-L278 CarbonylContact C-O 3.57Å; I206-L278 VanDerWaalsContact CA-O 3.31Å; I206-L278 WeakPolarHBondContact CA-O 3.42Å; V207-L278 PolarHBondContact N-O 2.81Å; V237-L278 HydrophobicContact CB-CD2 3.43Å; V237-L278 VanDerWaalsContact CB-CD2 3.43Å; V237-L278 HydrophobicContact CG1-CD2 4.22Å; V237-L278 HydrophobicContact CG2-CD2 3.66Å; L276-L278 HydrophobicContact CD2-CD1 3.86Å; L276-L278 HydrophobicContact CD2-CD2 3.28Å; L276-L278 HydrophobicContact CD2-CG 3.28Å; L278-T282 HydrophobicContact CD2-CG2 4.11Å; L278-V283 HydrophobicContact CB-CG2 3.45Å; L278-V283 VanDerWaalsContact CB-CG2 3.45Å; L278-V283 HydrophobicContact CD1-CG2 3.79Å; L278-V283 HydrophobicContact CG-CG2 4.24Å; L278-L286 HydrophobicContact CD1-CD1 4.13Å; L278-L286 HydrophobicContact CD2-CD1 4.3Å
279P95.6Very high94.9Very high9 Ų942.3 Ų42.36%0.05820%0.198CC..EExtended strand (participates in β ladder)trans-76156.3167.134.1-32.6000109.7V207 F210 V237 D281 T282 V283V207-P279 CarbonylContact O-C 3.48Å; V207-P279 WeakPolarHBondContact O-CA 3.36Å; F210-P279 HydrophobicContact CD2-CB 4.28Å; F210-P279 HydrophobicContact CD2-CG 3.86Å; F210-P279 HydrophobicContact CE2-CB 4.3Å; F210-P279 VanDerWaalsContact CE2-CD 3.41Å; F210-P279 HydrophobicContact CE2-CG 3.64Å; F210-P279 HydrophobicContact CZ-CG 4.13Å; V237-P279 WeakPolarHBondContact O-CD 3.29Å; P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.07Å; P279-T282 WeakPolarHBondContact CD-OG1 3.1Å; P279-T282 WeakPolarHBondContact CG-OG1 3.16Å; P279-T282 WeakPolarHBondContact O-CB 3.49Å; P279-T282 PolarHBondContact O-N 3.12Å; P279-V283 PolarHBondContact O-N 3.49Å; P279-V283 VanDerWaalsContact O-N 3.11Å
280L94.2Very high94.9Very high42 Ų4241.8 Ų41.822%0.2219%0.193CC..Hα-helixtrans-48.9-48.4-178.2-71.5176.7000112.8V65 V79 I206 V207 D208 T282 V283 E284V65-L280 HydrophobicContact CG1-CD1 4.09Å; V65-L280 HydrophobicContact CG1-CD2 3.99Å; V65-L280 HydrophobicContact CG1-CG 4.05Å; V65-L280 HydrophobicContact CG2-CD2 3.81Å; V79-L280 HydrophobicContact CB-CD2 4.37Å; V79-L280 HydrophobicContact CG1-CD2 4.37Å; V79-L280 HydrophobicContact CG2-CD2 3.7Å; I206-L280 HydrophobicContact CG2-CD2 3.65Å; I206-L280 HydrophobicContact CG2-CG 4.39Å; V207-L280 PolarHBondContact O-N 3.29Å; D208-L280 PolarHBondContact O-N 3.31Å; L280-T282 PolarHBondContact O-N 2.77Å; L280-V283 WeakPolarHBondContact O-CB 3.28Å; L280-V283 PolarHBondContact O-N 3.03Å; L280-V283 VanDerWaalsContact O-N 3.07Å; L280-E284 PolarHBondContact O-N 3.25Å
281D93.9Very high94.7Very high78 Ų7842.7 Ų42.742%0.41720%0.198SC..Hα-helixtrans-57-36.4179.6-69.53.1000113.4K239 P279 Y285K239-D281 HydrophobicContact CD-CB 4.16Å; P279-D281 VanDerWaalsContact C-N 3.27Å; P279-D281 PolarHBondContact O-N 3.07Å; D281-Y285 WeakPolarHBondContact O-CB 3.3Å; D281-Y285 PolarHBondContact O-N 3.18Å
282T95Very high94.4Very high0 Ų041.4 Ų41.40%020%0.196CC..Hα-helixtrans-76.4-37179.8-59.40000110.9V237 K239 A262 L278 P279 L280 E284 Y285 L286V237-T282 HydrophobicContact CB-CG2 4.36Å; V237-T282 HydrophobicContact CG1-CG2 3.98Å; V237-T282 PolarHBondContact O-OG1 3.37Å; K239-T282 WeakPolarHBondContact CB-OG1 3.45Å; K239-T282 PolarHBondContact N-OG1 3.12Å; A262-T282 HydrophobicContact CB-CG2 3.88Å; L278-T282 HydrophobicContact CD2-CG2 4.11Å; P279-T282 WeakPolarHBondContact CD-OG1 3.1Å; P279-T282 WeakPolarHBondContact CG-OG1 3.16Å; P279-T282 WeakPolarHBondContact O-CB 3.49Å; P279-T282 PolarHBondContact O-N 3.12Å; L280-T282 PolarHBondContact O-N 2.77Å; T282-E284 VanDerWaalsContact C-N 3.35Å; T282-Y285 PolarHBondContact O-N 3.11Å; T282-L286 HydrophobicContact CG2-CD1 3.86Å; T282-L286 HydrophobicContact CG2-CG 4.11Å; T282-L286 VanDerWaalsContact O-CB 3.32Å; T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.16Å; T282-L286 PolarHBondContact O-N 3.19Å
283V95.4Very high94.1Very high3 Ų338.6 Ų38.62%0.01819%0.185CC..Hα-helixtrans-61.2-45.3175.4177.20000110.3L81 I206 L278 P279 L280 Q287L81-V283 HydrophobicContact CD2-CG1 3.57Å; I206-V283 HydrophobicContact CD1-CG1 4.49Å; I206-V283 HydrophobicContact CD1-CG2 4.2Å; I206-V283 HydrophobicContact CG1-CG2 4.31Å; I206-V283 HydrophobicContact CG2-CG2 4.26Å; L278-V283 HydrophobicContact CB-CG2 3.45Å; L278-V283 VanDerWaalsContact CB-CG2 3.45Å; L278-V283 HydrophobicContact CD1-CG2 3.79Å; L278-V283 HydrophobicContact CG-CG2 4.24Å; P279-V283 PolarHBondContact O-N 3.49Å; P279-V283 VanDerWaalsContact O-N 3.11Å; L280-V283 WeakPolarHBondContact O-CB 3.28Å; L280-V283 PolarHBondContact O-N 3.03Å; L280-V283 VanDerWaalsContact O-N 3.07Å; V283-Q287 WeakPolarHBondContact O-CB 3.31Å; V283-Q287 VanDerWaalsContact O-CG 3.23Å; V283-Q287 WeakPolarHBondContact O-CG 3.42Å; V283-Q287 PolarHBondContact O-N 3.36Å; V283-Q287 PolarHBondContact O-NE2 2.91Å; V283-Q287 VanDerWaalsContact O-NE2 3.16Å
284E93.2Very high93.6Very high90 Ų9041.9 Ų41.942%0.42120%0.202SC..Hα-helixtrans-63.3-47.4175.5-67.9-171.3174.200112.2L280 T282 L286 Q287 Q288L280-E284 PolarHBondContact O-N 3.25Å; T282-E284 VanDerWaalsContact C-N 3.35Å; E284-L286 PolarHBondContact O-N 3.15Å; E284-Q287 PolarHBondContact O-N 3.5Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.12Å
285Y94.4Very high93.2Very high64 Ų6442.1 Ų42.125%0.25120%0.203SC..Hα-helixtrans-59.4-45.5178.5175.4-100.8000112.4K239 A262 D281 T282 Q288 R289K239-Y285 HydrophobicContact CG-CD1 4.49Å; K239-Y285 HydrophobicContact CG-CD2 4.44Å; K239-Y285 HydrophobicContact CG-CG 4.12Å; A262-Y285 HydrophobicContact CB-CD1 3.75Å; A262-Y285 HydrophobicContact CB-CE1 3.82Å; D281-Y285 WeakPolarHBondContact O-CB 3.3Å; D281-Y285 PolarHBondContact O-N 3.18Å; T282-Y285 PolarHBondContact O-N 3.11Å; Y285-Q288 PolarHBondContact O-N 3.34Å; Y285-R289 HydrophobicContact CD1-CG 4.28Å; Y285-R289 HydrophobicContact CD2-CG 4.39Å; Y285-R289 HydrophobicContact CE1-CG 3.87Å; Y285-R289 HydrophobicContact CE2-CG 4.02Å; Y285-R289 WeakPolarHBondContact O-CB 3.26Å; Y285-R289 VanDerWaalsContact O-CG 3.24Å; Y285-R289 WeakPolarHBondContact O-CG 3.15Å; Y285-R289 PolarHBondContact O-N 2.96Å
286L94.8Very high92.5Very high14 Ų1446 Ų467%0.07322%0.217CC..Hα-helixtrans-64.8-43178.2-73.2175.4000111.5A262 L265 L278 T282 E284 R289 I290A262-L286 HydrophobicContact CB-CD2 4.13Å; A262-L286 HydrophobicContact CB-CG 4.49Å; L265-L286 HydrophobicContact CD2-CD1 3.58Å; L265-L286 HydrophobicContact CD2-CD2 4.08Å; L278-L286 HydrophobicContact CD1-CD1 4.13Å; L278-L286 HydrophobicContact CD2-CD1 4.3Å; T282-L286 HydrophobicContact CG2-CD1 3.86Å; T282-L286 HydrophobicContact CG2-CG 4.11Å; T282-L286 VanDerWaalsContact O-CB 3.32Å; T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 VanDerWaalsContact O-CG 3.23Å; T282-L286 WeakPolarHBondContact O-CG 3.16Å; T282-L286 PolarHBondContact O-N 3.19Å; E284-L286 PolarHBondContact O-N 3.15Å; L286-R289 PolarHBondContact O-N 3.14Å; L286-I290 WeakPolarHBondContact O-CB 3.11Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.22Å; L286-I290 PolarHBondContact O-N 3.01Å
287Q94.1Very high91.2Very high10 Ų1055.9 Ų55.95%0.04726%0.26CS..Hα-helixtrans-59.7-49.4175.7-75.6176.5100.400111.2H82 F86 V283 E284 R289 I290 L291H82-Q287 HydrophobicContact CB-CG 4.49Å; H82-Q287 VanDerWaalsContact CB-OE1 3.26Å; F86-Q287 HydrophobicContact CE2-CG 4Å; V283-Q287 WeakPolarHBondContact O-CB 3.31Å; V283-Q287 VanDerWaalsContact O-CG 3.23Å; V283-Q287 WeakPolarHBondContact O-CG 3.42Å; V283-Q287 PolarHBondContact O-N 3.36Å; V283-Q287 PolarHBondContact O-NE2 2.91Å; V283-Q287 VanDerWaalsContact O-NE2 3.16Å; E284-Q287 PolarHBondContact O-N 3.5Å; Q287-R289 VanDerWaalsContact C-N 3.35Å; Q287-R289 PolarHBondContact O-N 2.87Å; Q287-I290 PolarHBondContact O-N 3.02Å; Q287-L291 VanDerWaalsContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CB 3.41Å; Q287-L291 WeakPolarHBondContact O-CG 3.21Å; Q287-L291 PolarHBondContact O-N 2.86Å
288Q92.6Very high90Very high125 Ų12561.5 Ų61.558%0.58429%0.286SS*.Hα-helixtrans-59.4-44.9178-70.8175.25.100111.8E284 Y285 S292E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.12Å; Y285-Q288 PolarHBondContact O-N 3.34Å; Q288-S292 VanDerWaalsContact O-CB 3.28Å; Q288-S292 WeakPolarHBondContact O-CB 3.42Å; Q288-S292 PolarHBondContact O-N 2.94Å; Q288-S292 PolarHBondContact O-OG 2.91Å
289R92.6Very high88.5Confident135 Ų13565.9 Ų65.951%0.50931%0.313SS..Hα-helixtrans-61.4-50177.1-74.9-91.387.51707.8111.6Y285 L286 Q287 S292 Q293Y285-R289 HydrophobicContact CD1-CG 4.28Å; Y285-R289 HydrophobicContact CD2-CG 4.39Å; Y285-R289 HydrophobicContact CE1-CG 3.87Å; Y285-R289 HydrophobicContact CE2-CG 4.02Å; Y285-R289 WeakPolarHBondContact O-CB 3.26Å; Y285-R289 VanDerWaalsContact O-CG 3.24Å; Y285-R289 WeakPolarHBondContact O-CG 3.15Å; Y285-R289 PolarHBondContact O-N 2.96Å; L286-R289 PolarHBondContact O-N 3.14Å; Q287-R289 VanDerWaalsContact C-N 3.35Å; Q287-R289 PolarHBondContact O-N 2.87Å; R289-S292 PolarHBondContact O-N 2.83Å; R289-S292 PolarHBondContact O-OG 2.71Å; R289-Q293 PolarHBondContact O-N 3.29Å
290I93.9Very high86.8Confident6 Ų670.3 Ų70.33%0.03133%0.334CS..Hα-helixtrans-64.3-47-178.7-67.7168.7000110.7V85 L191 C192 L195 L286 Q287 S292 Q293 L294V85-I290 HydrophobicContact CG1-CD1 3.82Å; V85-I290 HydrophobicContact CG1-CG2 4.49Å; V85-I290 HydrophobicContact CG2-CB 4.28Å; V85-I290 HydrophobicContact CG2-CG2 3.85Å; L191-I290 HydrophobicContact CD2-CD1 3.79Å; L191-I290 HydrophobicContact CD2-CG1 4.02Å; L191-I290 HydrophobicContact CG-CD1 4.3Å; C192-I290 VanDerWaalsContact SG-CG2 3.6Å; L195-I290 HydrophobicContact CD1-CD1 3.77Å; L286-I290 WeakPolarHBondContact O-CB 3.11Å; L286-I290 VanDerWaalsContact O-CG1 3.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.22Å; L286-I290 PolarHBondContact O-N 3.01Å; Q287-I290 PolarHBondContact O-N 3.02Å; I290-S292 VanDerWaalsContact C-N 3.31Å; I290-S292 PolarHBondContact O-N 3.48Å; I290-Q293 PolarHBondContact O-N 2.96Å; I290-Q293 VanDerWaalsContact O-N 3.07Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.2Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 3.4Å
291L91.6Very high85Confident22 Ų2275.6 Ų75.612%0.11536%0.362CS..Hα-helixtrans-62.5-37.7178.5-68.2170.1000112.2H82 D84 V85 Q287 Q293 L294 H295H82-L291 VanDerWaalsContact CD2-CD1 3.46Å; H82-L291 WeakPolarHBondContact CD2-CD1 3.43Å; H82-L291 VanDerWaalsContact CE1-CD2 3.49Å; H82-L291 WeakPolarHBondContact CE1-CD2 2.99Å; D84-L291 HydrophobicContact CB-CD2 4.48Å; V85-L291 HydrophobicContact CG2-CD2 4.33Å; V85-L291 HydrophobicContact CG2-CG 4.42Å; Q287-L291 VanDerWaalsContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CB 3.41Å; Q287-L291 WeakPolarHBondContact O-CG 3.21Å; Q287-L291 PolarHBondContact O-N 2.86Å; L291-Q293 PolarHBondContact O-N 3.35Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-L294 PolarHBondContact O-N 2.77Å; L291-H295 WeakPolarHBondContact O-CB 3.37Å; L291-H295 PolarHBondContact O-N 2.98Å
292S89.1Confident83.1Confident55 Ų5577.5 Ų77.539%0.38537%0.366SS..Hα-helixtrans-61.1-34.717576.70000112.4Q288 R289 I290 R296Q288-S292 VanDerWaalsContact O-CB 3.28Å; Q288-S292 WeakPolarHBondContact O-CB 3.42Å; Q288-S292 PolarHBondContact O-N 2.94Å; Q288-S292 PolarHBondContact O-OG 2.91Å; R289-S292 PolarHBondContact O-N 2.83Å; R289-S292 PolarHBondContact O-OG 2.71Å; I290-S292 VanDerWaalsContact C-N 3.31Å; I290-S292 PolarHBondContact O-N 3.48Å; S292-R296 PolarHBondContact O-N 2.86Å
293Q88.6Confident81.1Confident60 Ų6084.7 Ų84.728%0.2840%0.398SS..Hα-helixtrans-81.3-37177.3-62.6-57.7-30.900112.5L188 R289 I290 L291 R296L188-Q293 HydrophobicContact CD1-CB 3.54Å; L188-Q293 HydrophobicContact CD2-CB 3.74Å; L188-Q293 HydrophobicContact CD2-CG 4.16Å; L188-Q293 HydrophobicContact CG-CB 4.29Å; R289-Q293 PolarHBondContact O-N 3.29Å; I290-Q293 PolarHBondContact O-N 2.96Å; I290-Q293 VanDerWaalsContact O-N 3.07Å; L291-Q293 PolarHBondContact O-N 3.35Å; Q293-R296 WeakPolarHBondContact O-CB 3.41Å; Q293-R296 PolarHBondContact O-N 3Å
294L87Confident79Confident75 Ų7592.3 Ų92.339%0.39343%0.431SS..Hα-helixtrans-63.5-42.7175.5-72.7176000112D84 I290 L291 R296D84-L294 HydrophobicContact CB-CD1 4.48Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.2Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 3.4Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-L294 PolarHBondContact O-N 2.77Å; L294-R296 VanDerWaalsContact C-N 3.26Å; L294-R296 PolarHBondContact O-N 3.35Å
295H85.7Confident77Confident87 Ų8791.4 Ų91.440%0.40343%0.431SS..THydrogen-bonded Turntrans-88.210.6-179.5-62156.1000113.9L291 K297L291-H295 WeakPolarHBondContact O-CB 3.37Å; L291-H295 PolarHBondContact O-N 2.98Å; H295-K297 PolarHBondContact O-N 3.1Å
296R81.2Confident75.2Confident87 Ų8797.3 Ų97.333%0.32845%0.454SS..  trans-67.2127178.5-171.8-177.7173.4149.4-0110S292 Q293 L294 E298 M300S292-R296 PolarHBondContact O-N 2.86Å; Q293-R296 WeakPolarHBondContact O-CB 3.41Å; Q293-R296 PolarHBondContact O-N 3Å; L294-R296 VanDerWaalsContact C-N 3.26Å; L294-R296 PolarHBondContact O-N 3.35Å; R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 WeakPolarHBondContact CD-O 3.06Å; R296-E298 VanDerWaalsContact CG-O 3.28Å; R296-E298 WeakPolarHBondContact CG-O 3.11Å; R296-E298 PolarHBondContact NE-O 3.42Å; R296-E298 PolarHBondContact O-N 2.58Å; R296-M300 PolarHBondContact NH1-SD 3.48Å; R296-M300 PolarHBondContact NH2-SD 3.11Å
297K71Confident73.5Confident210 Ų210103.2 Ų103.291%0.91348%0.479SS*.SBendtrans-70-26.4-179.9-64.7-177.9-179.71790113.6H295H295-K297 PolarHBondContact O-N 3.1Å
298E69.3Low71.9Confident118 Ų118106.8 Ų106.855%0.55150%0.499SS*.SBendtrans-129148.1-167.7-56.5-172.2155.600112.7R296R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 WeakPolarHBondContact CD-O 3.06Å; R296-E298 VanDerWaalsContact CG-O 3.28Å; R296-E298 WeakPolarHBondContact CG-O 3.11Å; R296-E298 PolarHBondContact NE-O 3.42Å; R296-E298 PolarHBondContact O-N 2.58Å
299T64.9Low70.6Confident93 Ų93103.8 Ų103.857%0.57149%0.487SS*.  trans-71.3142.7173.454.60000112.3L301 K302T299-L301 PolarHBondContact O-N 3.26Å; T299-L301 VanDerWaalsContact O-N 3.11Å; T299-K302 PolarHBondContact O-N 2.96Å
300M59.7Low69.5Low102 Ų102103 Ų10350%0.50249%0.487SS..G310 helixtrans-50.6-34.7171.6-85.4-68.6-88.200114.1R296 K302 K303R296-M300 PolarHBondContact NH1-SD 3.48Å; R296-M300 PolarHBondContact NH2-SD 3.11Å; M300-K302 PolarHBondContact O-N 3.07Å; M300-K302 VanDerWaalsContact O-N 3.12Å; M300-K303 PolarHBondContact O-N 3.47Å
301L57.7Low68.3Low154 Ų154108.4 Ų108.481%0.80651%0.512SS*.G310 helixtrans-64.6-16.8-175-66.3173.7000113.9T299 K303T299-L301 PolarHBondContact O-N 3.26Å; T299-L301 VanDerWaalsContact O-N 3.11Å; L301-K303 PolarHBondContact O-N 3.41Å
302K54.2Low67.3Low117 Ų117112 Ų11251%0.50953%0.531SS..G310 helixtrans-70.1-16.2176-98.5-171.2176.6-175.10113.9T299 M300 F304 V305T299-K302 PolarHBondContact O-N 2.96Å; M300-K302 PolarHBondContact O-N 3.07Å; M300-K302 VanDerWaalsContact O-N 3.12Å; K302-F304 PolarHBondContact O-N 2.76Å; K302-V305 WeakPolarHBondContact O-CG2 3.17Å; K302-V305 PolarHBondContact O-N 3.07Å
303K52.5Low66.5Low152 Ų152114.9 Ų114.966%0.66154%0.542SS*.G310 helixtrans-63.3-3.1-177.4-123-175.1-179.4-1670114.7M300 L301M300-K303 PolarHBondContact O-N 3.47Å; L301-K303 PolarHBondContact O-N 3.41Å
304F51.9Low65.9Low163 Ų163117.5 Ų117.572%0.71556%0.557SS**G310 helixtrans-115.831.4173.6-54.8-71000112.7K302 Y306K302-F304 PolarHBondContact O-N 2.76Å; F304-Y306 PolarHBondContact O-N 3.2Å
305V50.9Low65.4Low70 Ų70116.3 Ų116.342%0.42456%0.555SS.*  trans-66.1116.8160.2175.50000106.5K302 K307 D308K302-V305 WeakPolarHBondContact O-CG2 3.17Å; K302-V305 PolarHBondContact O-N 3.07Å; V305-K307 HydrophobicContact CG1-CB 3.99Å; V305-K307 PolarHBondContact O-N 3.33Å; V305-D308 PolarHBondContact O-N 2.98Å
306Y56.9Low64.8Low188 Ų188118.1 Ų118.174%0.73756%0.563SS**Hα-helixtrans-46.4-29.9-177.9-177.6-93.8000113.9F304 K310F304-Y306 PolarHBondContact O-N 3.2Å; Y306-K310 WeakPolarHBondContact O-CB 3.44Å; Y306-K310 PolarHBondContact O-N 3.26Å
307K57.7Low64Low138 Ų138116.3 Ų116.360%0.657%0.572SS**Hα-helixtrans-62.5-44.5178.7-159.4-176177.8-167.50112.9V305 K310 E311V305-K307 HydrophobicContact CG1-CB 3.99Å; V305-K307 PolarHBondContact O-N 3.33Å; K307-K310 WeakPolarHBondContact O-CB 3.15Å; K307-K310 PolarHBondContact O-N 3.32Å; K307-E311 PolarHBondContact O-N 2.83Å; K307-E311 VanDerWaalsContact O-N 3.16Å
308D60.2Low63.8Low86 Ų86113.6 Ų113.646%0.4656%0.563SS.*Hα-helixtrans-71.6-38.8-178.7-57.3-6000110.2V305 K310 E311 L312V305-D308 PolarHBondContact O-N 2.98Å; D308-K310 VanDerWaalsContact C-N 3.28Å; D308-K310 PolarHBondContact O-N 2.9Å; D308-E311 PolarHBondContact O-N 3.32Å; D308-L312 PolarHBondContact O-N 3.06Å
309N65.1Low63.5Low62 Ų62115.3 Ų115.333%0.33258%0.576SS.*Hα-helixtrans-64.3-34.3172.2-77.14.5000111.9L312 L313N309-L312 PolarHBondContact O-N 3.04Å; N309-L313 VanDerWaalsContact O-CB 3.24Å; N309-L313 WeakPolarHBondContact O-CB 3.1Å; N309-L313 WeakPolarHBondContact O-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CG 3.35Å; N309-L313 PolarHBondContact O-N 3.43Å
310K70.1Confident63.3Low117 Ų117116.7 Ų116.751%0.50958%0.58SS.*Hα-helixtrans-64.9-41.9176.9-176.2-175.1176.4-173.60111Y306 K307 D308 L314Y306-K310 WeakPolarHBondContact O-CB 3.44Å; Y306-K310 PolarHBondContact O-N 3.26Å; K307-K310 WeakPolarHBondContact O-CB 3.15Å; K307-K310 PolarHBondContact O-N 3.32Å; D308-K310 VanDerWaalsContact C-N 3.28Å; D308-K310 PolarHBondContact O-N 2.9Å; K310-L314 HydrophobicContact CG-CD1 3.98Å; K310-L314 WeakPolarHBondContact O-CB 3.39Å; K310-L314 WeakPolarHBondContact O-CD1 3.24Å; K310-L314 WeakPolarHBondContact O-CG 3.15Å; K310-L314 PolarHBondContact O-N 2.83Å
311E68.1Low63.1Low120 Ų120120.2 Ų120.256%0.56160%0.595SS**Hα-helixtrans-64.1-43.6175.3-72.1175.1-171.800111.1K307 D308 L314 S315K307-E311 PolarHBondContact O-N 2.83Å; K307-E311 VanDerWaalsContact O-N 3.16Å; D308-E311 PolarHBondContact O-N 3.32Å; E311-L314 PolarHBondContact O-N 3.39Å; E311-S315 PolarHBondContact O-N 2.94Å; E311-S315 PolarHBondContact O-OG 2.94Å
312L71.1Confident62.9Low98 Ų98119.5 Ų119.551%0.51359%0.592SS.*Hα-helixtrans-63.7-45177.3-146.3160.4000112.1D308 N309 L314 S315 E316D308-L312 PolarHBondContact O-N 3.06Å; N309-L312 PolarHBondContact O-N 3.04Å; L312-L314 VanDerWaalsContact C-N 3.28Å; L312-L314 PolarHBondContact O-N 3.22Å; L312-S315 WeakPolarHBondContact CA-OG 3.33Å; L312-S315 PolarHBondContact O-N 3.01Å; L312-S315 PolarHBondContact O-OG 3.2Å; L312-E316 HydrophobicContact CD2-CG 4.22Å; L312-E316 PolarHBondContact O-N 2.95Å
313L73Confident62.9Low116 Ų116121.9 Ų121.961%0.60761%0.61SS**Hα-helixtrans-64.5-30174.7-75.1167.3000113.1N309N309-L313 VanDerWaalsContact O-CB 3.24Å; N309-L313 WeakPolarHBondContact O-CB 3.1Å; N309-L313 WeakPolarHBondContact O-CD1 3.39Å; N309-L313 WeakPolarHBondContact O-CG 3.35Å; N309-L313 PolarHBondContact O-N 3.43Å
314L75Confident62.9Low114 Ų114123.4 Ų123.460%0.59762%0.617SS**Hα-helixtrans-75-35.5174.7-77165.9000111.2K310 E311 L312K310-L314 HydrophobicContact CG-CD1 3.98Å; K310-L314 WeakPolarHBondContact O-CB 3.39Å; K310-L314 WeakPolarHBondContact O-CD1 3.24Å; K310-L314 WeakPolarHBondContact O-CG 3.15Å; K310-L314 PolarHBondContact O-N 2.83Å; E311-L314 PolarHBondContact O-N 3.39Å; L312-L314 VanDerWaalsContact C-N 3.28Å; L312-L314 PolarHBondContact O-N 3.22Å
315S76.6Confident62.9Low51 Ų51121.4 Ų121.436%0.35762%0.619SS.*Hα-helixtrans-76.1-26.4178.360.40000114.1E311 L312 G317 E318E311-S315 PolarHBondContact O-N 2.94Å; E311-S315 PolarHBondContact O-OG 2.94Å; L312-S315 WeakPolarHBondContact CA-OG 3.33Å; L312-S315 PolarHBondContact O-N 3.01Å; L312-S315 PolarHBondContact O-OG 3.2Å; S315-G317 PolarHBondContact O-N 2.9Å; S315-E318 PolarHBondContact O-N 3.23Å
316E73.2Confident62.7Low124 Ų124123.3 Ų123.358%0.57963%0.631SS**THydrogen-bonded Turntrans-58.5-20.6-178.9-86.4177.7174.200113.4L312L312-E316 HydrophobicContact CD2-CG 4.22Å; L312-E316 PolarHBondContact O-N 2.95Å
317G65.9Low62.1Low50 Ų50119.5 Ų119.552%0.51563%0.629SS.*THydrogen-bonded Turntrans-108.55.3176.500000115.5S315S315-G317 PolarHBondContact O-N 2.9Å
318E66.4Low61.6Low152 Ų152123 Ų12371%0.7164%0.644SS**THydrogen-bonded Turntrans-78.2-29.2176.4-90.2-179.1162.700112.4S315S315-E318 PolarHBondContact O-N 3.23Å
319D62.8Low61Low155 Ų155128.6 Ų128.683%0.82968%0.681SS**SBendtrans-87.7-11178.2-68.7-31.6000113E321D319-E321 PolarHBondContact O-N 3.16Å
320D60.3Low60.8Low121 Ų121131.9 Ų131.965%0.64770%0.698SS**  trans-79.258.1174.7-68.1-31000110.3D322D320-D322 PolarHBondContact O-N 2.75Å; D320-D322 VanDerWaalsContact O-N 3.13Å
321E54.7Low60.3Low177 Ų177132.7 Ų132.783%0.82771%0.708SS**  trans-76.328.6164.6-75.6-166.5166.200112D319 D323D319-E321 PolarHBondContact O-N 3.16Å; E321-D323 PolarHBondContact O-N 3.24Å
322D54.5Low59.8Low139 Ų139133.4 Ų133.474%0.74372%0.717SS**  trans-85.796.5172.5-78.5-25.1000109.1D320 F324D320-D322 PolarHBondContact O-N 2.75Å; D320-D322 VanDerWaalsContact O-N 3.13Å; D322-F324 PolarHBondContact O-N 3.13Å
323D54.8Low59.2Low166 Ų166135.5 Ų135.589%0.88873%0.729SS**  trans-56.712170.2-90.9-22.9000114.4E321 T325E321-D323 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact O-N 3.07Å
324F52.2Low58.3Low184 Ų184136.7 Ų136.781%0.80774%0.736SS**  trans-86.364176.8-116.5-91000111.4D322 T326D322-F324 PolarHBondContact O-N 3.13Å; F324-T326 PolarHBondContact O-N 3.06Å
325T52.3Low57.2Low122 Ų122138.2 Ų138.275%0.74875%0.745SS**  trans-65.7109.3160.4-54.50000107.5D323D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 3.24Å; D323-T325 VanDerWaalsContact O-N 3.07Å
326T45.3Very low55.8Low110 Ų110144.4 Ų144.468%0.67577%0.773SS**  trans-57125.7171.950.70000108.5F324 F328F324-T326 PolarHBondContact O-N 3.06Å; T326-F328 PolarHBondContact O-N 3.07Å
327P45.1Very low54.5Low107 Ų107146 Ų14670%0.69579%0.788SS**  trans-59.9129.6177.423.3-30.8000108.6V329P327-V329 PolarHBondContact O-N 3Å
328F46.3Very low53.5Low212 Ų212154 Ų15493%0.9381%0.811SS**  trans-54.9110.4165.3-85.1-91.4000107.5T326T326-F328 PolarHBondContact O-N 3.07Å
329V47.7Very low52.4Low203 Ų203154.2 Ų154.2100%1.2382%0.82SS**  trans-980161.2179.40000108P327P327-V329 PolarHBondContact O-N 3Å

Retrieved 329 of 329 residues in 156.1 ms (Link to these results)