A0A087XHR5_POEFO Loading...

BTB/POZ domain-containing adapter for CUL3-mediated RhoA degradation protein 2

AlphaFold DB , UniProt , Accession A0A087XHR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low30.9Very low233 Ų233171.5 Ų171.5100%1.14886%0.861SS**  077.20-61.6175.474.600106
2S33.8Very low30.5Very low130 Ų130170.9 Ų170.991%0.90986%0.862SS**  72.7119.693.3-56.50000110.6
3G31Very low30.4Very low81 Ų81169.8 Ų169.884%0.83586%0.861SS**  cis-172.8163.76.900000113.2
4E31.1Very low31.1Very low189 Ų189164.7 Ų164.788%0.88385%0.845SS**  trans-77.5175.8169.2-58.4171121.400112.3
5R32.4Very low30.8Very low194 Ų194162.8 Ų162.873%0.73284%0.844SS**  trans112.3128.6161.7-69.8-174.5174.9-172.7-1.2113.1
6W28.2Very low31Very low209 Ų209159.1 Ų159.179%0.79284%0.837SS**  cis-143.1140.545.4-75.185.4000115.4
7L28.6Very low31.1Very low148 Ų148157.2 Ų157.278%0.77584%0.836SS**  trans-74.8144.7153.4-79.3157.4000109.5
8Q29.2Very low31.2Very low188 Ų188157.8 Ų157.888%0.87983%0.833SS**  trans-151.1116.4136.4-128.9148.3-10.500111.1
9Q30.2Very low31.2Very low173 Ų173155.7 Ų155.781%0.80883%0.829SS**  trans-71.7145.7160.1-80.2166-51.700109.2
10N26.6Very low31.2Very low167 Ų167155.9 Ų155.989%0.89383%0.829SS**  trans-154.2133132.2-107.6-5.4000110.5
11Q30.5Very low31.3Very low175 Ų175154.9 Ų154.982%0.81883%0.829SS**  trans-65.8144.8167.1-75.3163-57.600110
12D25.9Very low30.7Very low164 Ų164152.3 Ų152.388%0.87781%0.812SS**  174.7127.1120.7-83.2-25.4000110.8
13N29.3Very low30.5Very low157 Ų157151.2 Ų151.284%0.8480%0.802SS**  trans-90.9172.4164.4-1356.6000107.2
14P39.9Very low30.6Very low98 Ų98152 Ų15264%0.63679%0.793SS**  cis-138.7-165-1.732.4-7.6000113.5
15T27.7Very low30.9Very low136 Ų136152 Ų15283%0.83479%0.79SS**  trans103.298.9158.761.80000119.2
16S33.1Very low31.2Very low104 Ų104146.8 Ų146.873%0.72778%0.78SS**  -154.8137.5122.9620000110.3
17P33.3Very low31.9Very low126 Ų126145.5 Ų145.582%0.81878%0.78SS**  trans-90.3124.4-178.232.1-26.2000110.6
18H32.4Very low32.5Very low169 Ų169142.9 Ų142.978%0.78277%0.77SS**  trans-68.5141.1162.3-78.5-77.3000109.8L20H18-L20 PolarHBondContact O-N 3.18Å; H18-L20 VanDerWaalsContact O-N 3.08Å
19P31.8Very low33.2Very low118 Ų118137.9 Ų137.977%0.76676%0.755SS**  trans-68.4112.5-172.826.4-32.4000110.4V21P19-V21 PolarHBondContact O-N 3.33Å
20L30.8Very low33.8Very low158 Ų158132 Ų13283%0.82774%0.741SS**  trans-59.3115.4162.3-72.8166.6000108H18 F22H18-L20 PolarHBondContact O-N 3.18Å; H18-L20 VanDerWaalsContact O-N 3.08Å; L20-F22 PolarHBondContact O-N 3.06Å
21V32.5Very low34.8Very low136 Ų136126.6 Ų126.682%0.82471%0.708SS**  trans-58109.8164.2175.40000106.8P19 C23P19-V21 PolarHBondContact O-N 3.33Å; V21-C23 PolarHBondContact O-N 3Å; V21-C23 VanDerWaalsContact O-N 3.08Å
22F25.7Very low35.5Very low179 Ų179130.3 Ų130.379%0.78571%0.714SS**  trans-63.3106.6174-104.5-98.5000109L20L20-F22 PolarHBondContact O-N 3.06Å
23C29.4Very low36.2Very low106 Ų106125.8 Ų125.872%0.71671%0.707SS**  trans-63.6130.8156.1-760000108V21 K25V21-C23 PolarHBondContact O-N 3Å; V21-C23 VanDerWaalsContact O-N 3.08Å; C23-K25 PolarHBondContact O-N 3.33Å
24P34.6Very low36.9Very low98 Ų98122 Ų12264%0.63670%0.697SS**  trans-60.6132.4176.5-10.822.6000108.7T26P24-T26 PolarHBondContact O-N 3.09Å
25K35.8Very low37.3Very low190 Ų190119.8 Ų119.883%0.82668%0.682SS**  trans-46.5102.7178.3-62.6176179.4177.50110.8C23 K27C23-K25 PolarHBondContact O-N 3.33Å; K25-K27 PolarHBondContact O-N 3.25Å
26T40Very low38Very low84 Ų84118.4 Ų118.452%0.51567%0.673SS.*  trans-71.3116165.6470000107.1P24 T28P24-T26 PolarHBondContact O-N 3.09Å; T26-T28 PolarHBondContact O-N 3.02Å
27K43.3Very low38.6Very low182 Ų182122.4 Ų122.479%0.79169%0.686SS**  trans-69.3112.6176.5-67.7-177.3178.6-179.60108.2K25 C29K25-K27 PolarHBondContact O-N 3.25Å; K27-C29 PolarHBondContact O-N 3.48Å; K27-C29 VanDerWaalsContact O-N 3.08Å
28T40.5Very low39.4Very low92 Ų92119.4 Ų119.456%0.56468%0.678SS**  trans-64.9105.3160.1-48.80000106.6T26T26-T28 PolarHBondContact O-N 3.02Å
29C43Very low40.7Very low84 Ų84116.8 Ų116.857%0.56867%0.669SS**  trans-121.2119.5179-168.30000108K27 Y31K27-C29 PolarHBondContact O-N 3.48Å; K27-C29 VanDerWaalsContact O-N 3.08Å; C29-Y31 PolarHBondContact O-N 2.93Å
30G42.7Very low43.1Very low49 Ų49119.1 Ų119.151%0.50567%0.667SS.*  trans-54130170.900000110.2R32G30-R32 PolarHBondContact O-N 3.36Å
31Y48.5Very low45.8Very low54 Ų54117.1 Ų117.121%0.21265%0.65CS.*THydrogen-bonded Turntrans-70.239.9-174.2-162.1-100.5000113.5C29 V35 V75C29-Y31 PolarHBondContact O-N 2.93Å; Y31-V35 HydrophobicContact CD1-CG2 4.16Å; Y31-V35 HydrophobicContact CE1-CB 4.07Å; Y31-V35 HydrophobicContact CE1-CG2 3.29Å; Y31-V35 HydrophobicContact CE2-CG2 3.71Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.5Å; Y31-V75 HydrophobicContact CD2-CG2 3.51Å; Y31-V75 HydrophobicContact CE2-CG2 3.88Å; Y31-V75 HydrophobicContact CG-CG2 4.29Å
32R44.4Very low48.5Very low252 Ų252111 Ų11195%0.95161%0.613SS**THydrogen-bonded Turntrans-95-14.7164.6-84.6-166.1-169.8-146.84113G30G30-R32 PolarHBondContact O-N 3.36Å
33G41.1Very low51.7Low69 Ų69108.4 Ų108.471%0.71160%0.598SS**SBendtrans-103.3-18.5-171.600000117
34A45.2Very low54.8Low77 Ų77103.4 Ų103.464%0.63656%0.564SS**SBendtrans-111.3-8.7-168.200000115.1
35V48Very low57.7Low52 Ų52100.6 Ų100.632%0.31554%0.544SS..  trans-109.691.4167.5-174.40000107.9Y31 L37Y31-V35 HydrophobicContact CD1-CG2 4.16Å; Y31-V35 HydrophobicContact CE1-CB 4.07Å; Y31-V35 HydrophobicContact CE1-CG2 3.29Å; Y31-V35 HydrophobicContact CE2-CG2 3.71Å; Y31-V35 WeakPolarHBondContact OH-CG2 3.5Å; V35-L37 PolarHBondContact O-N 3.13Å; V35-L37 VanDerWaalsContact O-N 3.07Å
36T41.7Very low60.6Low108 Ų10891.5 Ų91.566%0.66350%0.504SS*.  trans-47.8118.714845.30000107.1G38 N39T36-G38 PolarHBondContact O-N 2.94Å; T36-N39 PolarHBondContact O-N 3.48Å
37L47Very low63.1Low188 Ų18890 Ų9098%0.98451%0.505SS*.THydrogen-bonded Turntrans-50.168.7170.8-169.285.8000111V35V35-L37 PolarHBondContact O-N 3.13Å; V35-L37 VanDerWaalsContact O-N 3.07Å
38G49.9Very low65.4Low63 Ų6384.1 Ų84.165%0.64950%0.496SS*.THydrogen-bonded Turntrans178.7-18.6-165.300000116.1T36 K40T36-G38 PolarHBondContact O-N 2.94Å; G38-K40 PolarHBondContact O-N 3.03Å
39N59.5Low68.1Low114 Ų11483.4 Ų83.461%0.6149%0.488SS*.  trans-84.8107.7174.9-121.4-5.5000110.7T36 Y41T36-N39 PolarHBondContact O-N 3.48Å; N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 VanDerWaalsContact O-N 3.15Å
40K80.9Confident70.6Confident167 Ų16784 Ų8473%0.72649%0.486SS*.  trans-66.7-12.2-178.2-63-177.9-179.7-178.10113.5G38 P54 L55G38-K40 PolarHBondContact O-N 3.03Å; K40-P54 CarbonylContact O-C 3.56Å; K40-P54 VanDerWaalsContact O-CA 3.3Å; K40-P54 WeakPolarHBondContact O-CA 3.49Å; K40-L55 PolarHBondContact O-N 3.08Å
41Y87.4Confident73.1Confident116 Ų11683 Ų8346%0.45547%0.467SS..EExtended strand (participates in β ladder)trans-127.9145.9-171.8-68.6-94.5000112.3N39 F52 T53 P54N39-Y41 PolarHBondContact O-N 3.4Å; N39-Y41 VanDerWaalsContact O-N 3.15Å; Y41-F52 AromaticContact CD1-CD1 3.82Å; Y41-F52 HydrophobicContact CD1-CD1 3.82Å; Y41-F52 AromaticContact CD1-CE1 3.29Å; Y41-F52 HydrophobicContact CD1-CE1 3.29Å; Y41-F52 AromaticContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD2-CE1 4.33Å; Y41-F52 HydrophobicContact CD2-CZ 4.32Å; Y41-F52 HydrophobicContact CE1-CD1 4.43Å; Y41-F52 AromaticContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CG-CD1 4.41Å; Y41-F52 AromaticContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE2 4.42Å; Y41-F52 AromaticContact CG-CZ 3.55Å; Y41-F52 HydrophobicContact CG-CZ 3.55Å; Y41-T53 WeakPolarHBondContact CA-O 3.29Å; Y41-P54 HydrophobicContact CD1-CB 4.44Å; Y41-P54 HydrophobicContact CD1-CG 4.09Å; Y41-P54 HydrophobicContact CE1-CB 4.35Å; Y41-P54 HydrophobicContact CE1-CG 3.67Å
42A90.2Very high75.2Confident7 Ų786.1 Ų86.16%0.05848%0.482CS..EExtended strand (participates in β ladder)trans-110.8143.6174.800000110.9L44 T53 L55 L58 F69A42-L44 HydrophobicContact CB-CD1 4.21Å; A42-T53 PolarHBondContact N-O 3.39Å; A42-T53 PolarHBondContact O-N 3.04Å; A42-T53 VanDerWaalsContact O-N 3.15Å; A42-L55 HydrophobicContact CB-CD1 4.27Å; A42-L58 HydrophobicContact CB-CD1 3.6Å; A42-F69 HydrophobicContact CB-CD1 4.03Å; A42-F69 HydrophobicContact CB-CE1 3.64Å; A42-F69 HydrophobicContact CB-CZ 4.36Å
43R92.9Very high77.5Confident125 Ų12574.1 Ų74.147%0.47244%0.437SS..EExtended strand (participates in β ladder)trans-106.1119.7174.8-71.3178.2-175.8-175.60.6108.6F52 W82 V83R43-F52 HydrophobicContact CG-CD2 3.7Å; R43-F52 HydrophobicContact CG-CE2 3.79Å; R43-W82 HydrophobicContact CB-CD2 3.89Å; R43-W82 HydrophobicContact CB-CE3 3.56Å; R43-W82 HydrophobicContact CB-CH2 4.33Å; R43-W82 HydrophobicContact CB-CZ3 3.8Å; R43-W82 HydrophobicContact CG-CE3 4.44Å; R43-W82 HydrophobicContact CG-CH2 4.4Å; R43-W82 HydrophobicContact CG-CZ3 4.33Å; R43-V83 PolarHBondContact O-N 2.86Å
44L95.1Very high79.9Confident0 Ų072.8 Ų72.80%042%0.415CS..EExtended strand (participates in β ladder)trans-122.3138.2-178.8-52.193.7000110.8A42 V46 L50 F51 T53 L58 F69 W82 V83 I85 F92A42-L44 HydrophobicContact CB-CD1 4.21Å; L44-V46 HydrophobicContact CB-CG2 4.28Å; L44-L50 CarbonylContact O-C 3.58Å; L44-L50 WeakPolarHBondContact O-CA 3.45Å; L44-F51 HydrophobicContact CB-CB 4.34Å; L44-F51 HydrophobicContact CD1-CB 4.48Å; L44-F51 PolarHBondContact N-O 3.38Å; L44-F51 PolarHBondContact O-N 3.24Å; L44-T53 HydrophobicContact CD1-CG2 3.71Å; L44-L58 HydrophobicContact CD1-CD1 4.12Å; L44-L58 HydrophobicContact CD2-CD1 4.36Å; L44-L58 HydrophobicContact CD2-CD2 4.35Å; L44-F69 HydrophobicContact CD2-CE2 3.58Å; L44-F69 HydrophobicContact CD2-CZ 3.49Å; L44-F69 VanDerWaalsContact CD2-CZ 3.49Å; L44-F69 HydrophobicContact CG-CE2 4.41Å; L44-F69 HydrophobicContact CG-CZ 3.82Å; L44-W82 WeakPolarHBondContact O-CZ3 3.34Å; L44-V83 CarbonylContact C-O 3.58Å; L44-V83 WeakPolarHBondContact CA-O 3.35Å; L44-I85 HydrophobicContact CD2-CD1 3.96Å; L44-F92 HydrophobicContact CD2-CE1 4.46Å; L44-F92 HydrophobicContact CD2-CZ 4.08Å
45N95.4Very high82Confident39 Ų3971.2 Ų71.221%0.20940%0.396CS..EExtended strand (participates in β ladder)trans-115.7107.4169.1-178.5-11.7000107.9G48 L50 W82 V83 L84 I85N45-G48 WeakPolarHBondContact OD1-CA 3.42Å; N45-G48 PolarHBondContact OD1-N 2.98Å; N45-L50 HydrophobicContact CB-CD2 3.8Å; N45-W82 HydrophobicContact CB-CB 4.34Å; N45-W82 HydrophobicContact CB-CE3 4.47Å; N45-V83 PolarHBondContact N-O 3.45Å; N45-L84 HydrophobicContact CB-CD2 3.8Å; N45-I85 PolarHBondContact O-N 2.96Å
46V96.1Very high83.9Confident0 Ų076.3 Ų76.30%042%0.417CS..EExtended strand (participates in β ladder)trans-108.198.9-176.2-171.30000108.4L44 G48 I49 F51 I85 R87 G89 F92L44-V46 HydrophobicContact CB-CG2 4.28Å; V46-G48 PolarHBondContact O-N 3.05Å; V46-I49 PolarHBondContact N-O 2.92Å; V46-I49 PolarHBondContact O-N 3.15Å; V46-F51 HydrophobicContact CB-CD2 4.17Å; V46-F51 HydrophobicContact CB-CE2 4Å; V46-F51 HydrophobicContact CG2-CD2 3.84Å; V46-F51 HydrophobicContact CG2-CE2 4.12Å; V46-I85 WeakPolarHBondContact CA-O 3.47Å; V46-I85 HydrophobicContact CG1-CB 4.34Å; V46-I85 HydrophobicContact CG1-CG2 4.26Å; V46-I85 HydrophobicContact CG2-CB 4.24Å; V46-I85 HydrophobicContact CG2-CD1 4.16Å; V46-R87 CarbonylContact C-O 3.34Å; V46-R87 HydrophobicContact CG1-CB 4.15Å; V46-G89 WeakPolarHBondContact O-CA 3.48Å; V46-G89 PolarHBondContact O-N 3.06Å; V46-F92 HydrophobicContact CB-CG 4.48Å; V46-F92 HydrophobicContact CG1-CD2 4.17Å; V46-F92 HydrophobicContact CG1-CG 4.37Å; V46-F92 HydrophobicContact CG2-CD1 3.97Å; V46-F92 HydrophobicContact CG2-CD2 4.11Å; V46-F92 HydrophobicContact CG2-CE1 3.9Å; V46-F92 HydrophobicContact CG2-CE2 4.06Å; V46-F92 HydrophobicContact CG2-CG 4.06Å; V46-F92 HydrophobicContact CG2-CZ 3.96Å
47G92.9Very high86.3Confident51 Ų5172 Ų7253%0.52639%0.39SS..THydrogen-bonded Turntrans57.933.4179.900000114.2I85 R87G47-I85 PolarHBondContact N-O 3.33Å; G47-R87 WeakPolarHBondContact CA-O 3.42Å; G47-R87 PolarHBondContact N-O 2.93Å
48G92Very high88.4Confident59 Ų5963.1 Ų63.161%0.60834%0.343SS*.THydrogen-bonded Turntrans95.3-8.4-178.100000114.8N45 V46N45-G48 WeakPolarHBondContact OD1-CA 3.42Å; N45-G48 PolarHBondContact OD1-N 2.98Å; V46-G48 PolarHBondContact O-N 3.05Å
49I95.8Very high90.2Very high78 Ų7863.1 Ų63.140%0.433%0.331SS..EExtended strand (participates in β ladder)trans-97.4126.6177-55.3-179.3000109.7V46 F51V46-I49 PolarHBondContact N-O 2.92Å; V46-I49 PolarHBondContact O-N 3.15Å; I49-F51 HydrophobicContact CB-CE2 3.76Å; I49-F51 HydrophobicContact CB-CZ 4.19Å; I49-F51 HydrophobicContact CG2-CD2 4.27Å; I49-F51 HydrophobicContact CG2-CE1 4.33Å; I49-F51 HydrophobicContact CG2-CE2 3.44Å; I49-F51 VanDerWaalsContact CG2-CE2 3.44Å; I49-F51 HydrophobicContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact O-CD2 3.31Å; I49-F51 WeakPolarHBondContact O-CD2 3.46Å; I49-F51 WeakPolarHBondContact O-CE2 3.39Å
50L95.2Very high91.5Very high97 Ų9760.4 Ų60.451%0.50832%0.321SS..EExtended strand (participates in β ladder)trans-88.5132.3-175.9-56.1-179.1000111.4L44 N45 W82L44-L50 CarbonylContact O-C 3.58Å; L44-L50 WeakPolarHBondContact O-CA 3.45Å; N45-L50 HydrophobicContact CB-CD2 3.8Å; L50-W82 HydrophobicContact CB-CH2 3.83Å; L50-W82 HydrophobicContact CB-CZ3 3.82Å; L50-W82 HydrophobicContact CD1-CH2 4.12Å; L50-W82 HydrophobicContact CD1-CZ2 4.1Å; L50-W82 HydrophobicContact CD2-CD2 4.14Å; L50-W82 HydrophobicContact CD2-CE3 3.89Å; L50-W82 HydrophobicContact CD2-CH2 4.19Å; L50-W82 HydrophobicContact CD2-CZ2 4.38Å; L50-W82 HydrophobicContact CD2-CZ3 3.93Å; L50-W82 HydrophobicContact CG-CH2 4.27Å; L50-W82 HydrophobicContact CG-CZ3 4.33Å
51F95.6Very high91.6Very high28 Ų2856.7 Ų56.712%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-129142.5177.7-63.6-86.2000111.3L44 V46 I49 F92 L96L44-F51 HydrophobicContact CB-CB 4.34Å; L44-F51 HydrophobicContact CD1-CB 4.48Å; L44-F51 PolarHBondContact N-O 3.38Å; L44-F51 PolarHBondContact O-N 3.24Å; V46-F51 HydrophobicContact CB-CD2 4.17Å; V46-F51 HydrophobicContact CB-CE2 4Å; V46-F51 HydrophobicContact CG2-CD2 3.84Å; V46-F51 HydrophobicContact CG2-CE2 4.12Å; I49-F51 HydrophobicContact CB-CE2 3.76Å; I49-F51 HydrophobicContact CB-CZ 4.19Å; I49-F51 HydrophobicContact CG2-CD2 4.27Å; I49-F51 HydrophobicContact CG2-CE1 4.33Å; I49-F51 HydrophobicContact CG2-CE2 3.44Å; I49-F51 VanDerWaalsContact CG2-CE2 3.44Å; I49-F51 HydrophobicContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact CG2-CZ 3.47Å; I49-F51 VanDerWaalsContact O-CD2 3.31Å; I49-F51 WeakPolarHBondContact O-CD2 3.46Å; I49-F51 WeakPolarHBondContact O-CE2 3.39Å; F51-F92 HydrophobicContact CB-CD1 4.31Å; F51-F92 HydrophobicContact CB-CE1 4.18Å; F51-F92 AromaticContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CE1 4.4Å; F51-F92 AromaticContact CD2-CD1 3.47Å; F51-F92 HydrophobicContact CD2-CD1 3.47Å; F51-F92 VanDerWaalsContact CD2-CD1 3.47Å; F51-F92 AromaticContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CG 4.32Å; F51-F92 HydrophobicContact CE1-CB 4.24Å; F51-F92 AromaticContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE2-CB 3.85Å; F51-F92 AromaticContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CE1 4.49Å; F51-F92 HydrophobicContact CE2-CG 4.02Å; F51-F92 AromaticContact CG-CD1 3.56Å; F51-F92 HydrophobicContact CG-CD1 3.56Å; F51-F92 AromaticContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CZ-CB 3.65Å; F51-F92 AromaticContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CG 4.16Å; F51-L96 HydrophobicContact CB-CD1 4.46Å; F51-L96 HydrophobicContact CD1-CD1 3.99Å; F51-L96 HydrophobicContact CG-CD1 4.48Å
52F93.3Very high91.5Very high119 Ų11958.8 Ų58.852%0.52233%0.325SS..EExtended strand (participates in β ladder)trans-126.7121.5174.8-167.1-109.1000108.9Y41 R43Y41-F52 AromaticContact CD1-CD1 3.82Å; Y41-F52 HydrophobicContact CD1-CD1 3.82Å; Y41-F52 AromaticContact CD1-CE1 3.29Å; Y41-F52 HydrophobicContact CD1-CE1 3.29Å; Y41-F52 AromaticContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD1-CZ 3.81Å; Y41-F52 HydrophobicContact CD2-CE1 4.33Å; Y41-F52 HydrophobicContact CD2-CZ 4.32Å; Y41-F52 HydrophobicContact CE1-CD1 4.43Å; Y41-F52 AromaticContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CE1-CE1 3.95Å; Y41-F52 HydrophobicContact CG-CD1 4.41Å; Y41-F52 AromaticContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE1 3.52Å; Y41-F52 HydrophobicContact CG-CE2 4.42Å; Y41-F52 AromaticContact CG-CZ 3.55Å; Y41-F52 HydrophobicContact CG-CZ 3.55Å; R43-F52 HydrophobicContact CG-CD2 3.7Å; R43-F52 HydrophobicContact CG-CE2 3.79Å
53T91.9Very high91.5Very high0 Ų058.7 Ų58.70%032%0.324CS..EExtended strand (participates in β ladder)trans-148.3148.8-175-168.90000111.3Y41 A42 L44 L58 L96Y41-T53 WeakPolarHBondContact CA-O 3.29Å; A42-T53 PolarHBondContact N-O 3.39Å; A42-T53 PolarHBondContact O-N 3.04Å; A42-T53 VanDerWaalsContact O-N 3.15Å; L44-T53 HydrophobicContact CD1-CG2 3.71Å; T53-L58 HydrophobicContact CG2-CD1 3.65Å; T53-L58 HydrophobicContact CG2-CD2 3.81Å; T53-L58 HydrophobicContact CG2-CG 3.66Å; T53-L96 HydrophobicContact CG2-CD2 4.06Å
54P91.3Very high91.4Very high40 Ų4054.5 Ų54.526%0.2631%0.311SS..EExtended strand (participates in β ladder)trans-59.4143172.9-20.830.9000111.5K40 Y41 Q56 V57K40-P54 CarbonylContact O-C 3.56Å; K40-P54 VanDerWaalsContact O-CA 3.3Å; K40-P54 WeakPolarHBondContact O-CA 3.49Å; Y41-P54 HydrophobicContact CD1-CB 4.44Å; Y41-P54 HydrophobicContact CD1-CG 4.09Å; Y41-P54 HydrophobicContact CE1-CB 4.35Å; Y41-P54 HydrophobicContact CE1-CG 3.67Å; P54-Q56 PolarHBondContact O-N 3.43Å; P54-V57 HydrophobicContact CB-CG2 4.24Å; P54-V57 HydrophobicContact CG-CG2 4.26Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.44Å; P54-V57 VanDerWaalsContact O-N 3.1Å
55L89.3Confident91.2Very high45 Ų4554.5 Ų54.524%0.23631%0.311CS..Hα-helixtrans-59.4-36.2178.4-16471.3000111.3K40 A42 V57 L58 T59 F69K40-L55 PolarHBondContact O-N 3.08Å; A42-L55 HydrophobicContact CB-CD1 4.27Å; L55-V57 PolarHBondContact O-N 3.17Å; L55-L58 PolarHBondContact O-N 3.4Å; L55-T59 HydrophobicContact CG-CG2 4.45Å; L55-T59 PolarHBondContact O-N 3.08Å; L55-T59 PolarHBondContact O-OG1 3.33Å; L55-F69 HydrophobicContact CD1-CB 3.76Å; L55-F69 HydrophobicContact CD1-CD1 3.68Å; L55-F69 HydrophobicContact CD1-CG 4.07Å
56Q89.6Confident90.9Very high159 Ų15953.3 Ų53.374%0.74331%0.308SS*.Hα-helixtrans-55.2-35.3177.2-177.1179.9-8.700113.1P54 S60P54-Q56 PolarHBondContact O-N 3.43Å; Q56-S60 WeakPolarHBondContact O-CA 3.49Å; Q56-S60 WeakPolarHBondContact O-CB 3.43Å; Q56-S60 PolarHBondContact O-N 2.72Å
57V90.8Very high90.5Very high18 Ų1854.4 Ų54.411%0.10932%0.317CS..Hα-helixtrans-70.5-39.3178.3175.80000110.6P54 L55 T59 S60 L99 R100P54-V57 HydrophobicContact CB-CG2 4.24Å; P54-V57 HydrophobicContact CG-CG2 4.26Å; P54-V57 WeakPolarHBondContact O-CB 3.37Å; P54-V57 PolarHBondContact O-N 3.44Å; P54-V57 VanDerWaalsContact O-N 3.1Å; L55-V57 PolarHBondContact O-N 3.17Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 3.23Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-S60 PolarHBondContact O-OG 3.29Å; V57-L99 HydrophobicContact CG1-CB 3.84Å; V57-R100 HydrophobicContact CB-CG 4.36Å; V57-R100 HydrophobicContact CG1-CG 3.6Å; V57-R100 HydrophobicContact CG2-CG 3.76Å
58L90.8Very high90.2Very high0 Ų053 Ų530%030%0.297CS..Hα-helixtrans-72-30-179.8-62169.7000111.8A42 L44 T53 L55 L65 G66 F69 L96A42-L58 HydrophobicContact CB-CD1 3.6Å; L44-L58 HydrophobicContact CD1-CD1 4.12Å; L44-L58 HydrophobicContact CD2-CD1 4.36Å; L44-L58 HydrophobicContact CD2-CD2 4.35Å; T53-L58 HydrophobicContact CG2-CD1 3.65Å; T53-L58 HydrophobicContact CG2-CD2 3.81Å; T53-L58 HydrophobicContact CG2-CG 3.66Å; L55-L58 PolarHBondContact O-N 3.4Å; L58-L65 HydrophobicContact CD2-CB 4.38Å; L58-L65 HydrophobicContact CD2-CD1 4.18Å; L58-L65 CarbonylContact O-C 3.57Å; L58-G66 WeakPolarHBondContact O-CA 3.44Å; L58-G66 PolarHBondContact O-N 2.74Å; L58-G66 VanDerWaalsContact O-N 3.13Å; L58-F69 HydrophobicContact CB-CB 4.23Å; L58-F69 HydrophobicContact CB-CD2 4.07Å; L58-F69 HydrophobicContact CB-CG 4.2Å; L58-F69 HydrophobicContact CD1-CD1 3.91Å; L58-F69 HydrophobicContact CD1-CD2 3.65Å; L58-F69 HydrophobicContact CD1-CE1 3.99Å; L58-F69 HydrophobicContact CD1-CE2 3.76Å; L58-F69 HydrophobicContact CD1-CG 3.74Å; L58-F69 HydrophobicContact CD1-CZ 3.92Å; L58-F69 HydrophobicContact CG-CD2 4.32Å; L58-L96 HydrophobicContact CD2-CD2 3.98Å
59T88.5Confident90Very high63 Ų6350.6 Ų50.639%0.38727%0.27SS..THydrogen-bonded Turntrans-98.47.717963.20000113.5L55 V57 Q61 F69L55-T59 HydrophobicContact CG-CG2 4.45Å; L55-T59 PolarHBondContact O-N 3.08Å; L55-T59 PolarHBondContact O-OG1 3.33Å; V57-T59 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 3.23Å; T59-Q61 VanDerWaalsContact C-N 3.3Å; T59-Q61 PolarHBondContact O-N 3.32Å; T59-F69 HydrophobicContact CG2-CB 4.24Å
60S86.2Confident89.2Confident57 Ų5749 Ų4940%0.39927%0.272SS..SBendtrans-67-32.1-173.565.20000112.6Q56 V57 L99Q56-S60 WeakPolarHBondContact O-CA 3.49Å; Q56-S60 WeakPolarHBondContact O-CB 3.43Å; Q56-S60 PolarHBondContact O-N 2.72Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-S60 PolarHBondContact O-OG 3.29Å; S60-L99 PolarHBondContact OG-O 3.31Å
61Q84.2Confident88.3Confident89 Ų8946.8 Ų46.842%0.41627%0.273SS..SBendtrans-134.3160.1-177.5-56.3-149.2-9.200111.9T59 S63 L99T59-Q61 VanDerWaalsContact C-N 3.3Å; T59-Q61 PolarHBondContact O-N 3.32Å; Q61-S63 PolarHBondContact O-N 3.19Å; Q61-S63 PolarHBondContact O-OG 2.77Å; Q61-L99 HydrophobicContact CB-CD2 4.35Å
62N85.1Confident87.3Confident160 Ų16053.7 Ų53.786%0.85630%0.303SS*.SBendtrans-71.691.8176.8-169.626.7000110.3
63S90.8Very high86.5Confident6 Ų650.7 Ų50.74%0.04230%0.295CS..SBendtrans-138.5168-176.663.20000110Q61 L65 G66 A67 Y123Q61-S63 PolarHBondContact O-N 3.19Å; Q61-S63 PolarHBondContact O-OG 2.77Å; S63-L65 PolarHBondContact O-N 3.29Å; S63-G66 WeakPolarHBondContact O-CA 3.17Å; S63-G66 PolarHBondContact O-N 2.56Å; S63-G66 PolarHBondContact OG-N 2.85Å; S63-G66 VanDerWaalsContact OG-N 3.13Å; S63-A67 PolarHBondContact O-N 3.36Å; S63-Y123 WeakPolarHBondContact CB-O 3.43Å
64L90.4Very high85.9Confident36 Ų3657.2 Ų57.219%0.18833%0.325CS..Hα-helixtrans-57.9-39173.7-178.564000111.3G66 A67 M68 Y122 Y123 L124L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.15Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.34Å; L64-A67 VanDerWaalsContact O-N 3.16Å; L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 HydrophobicContact CD2-CE 3.77Å; L64-M68 HydrophobicContact CG-CE 3.72Å; L64-M68 HydrophobicContact CG-SD 4.29Å; L64-M68 WeakPolarHBondContact O-CG 3.37Å; L64-M68 PolarHBondContact O-N 3.45Å; L64-Y122 HydrophobicContact CD2-CD1 4.26Å; L64-Y122 HydrophobicContact CD2-CE1 3.79Å; L64-Y122 WeakPolarHBondContact CD2-O 3.19Å; L64-Y123 WeakPolarHBondContact CB-O 3.39Å; L64-Y123 PolarHBondContact N-O 3.15Å; L64-L124 HydrophobicContact CB-CD1 4.38Å; L64-L124 HydrophobicContact CB-CG 4.45Å
65L91.1Very high85.6Confident0 Ų056 Ų560%032%0.317CS..Hα-helixtrans-62.4-41.8174.8-66.9172.8000111L58 S63 A67 M68 F69 I85 F92 I95 L99 Y123L58-L65 HydrophobicContact CD2-CB 4.38Å; L58-L65 HydrophobicContact CD2-CD1 4.18Å; L58-L65 CarbonylContact O-C 3.57Å; S63-L65 PolarHBondContact O-N 3.29Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.68Å; L65-M68 HydrophobicContact CD2-SD 4.3Å; L65-M68 PolarHBondContact O-N 3.08Å; L65-F69 HydrophobicContact CD2-CE2 4.37Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.78Å; L65-I85 HydrophobicContact CD2-CD1 3.97Å; L65-F92 HydrophobicContact CD1-CE2 4.11Å; L65-F92 HydrophobicContact CD1-CZ 4.2Å; L65-F92 HydrophobicContact CD2-CE2 4.49Å; L65-F92 HydrophobicContact CD2-CZ 4.47Å; L65-I95 HydrophobicContact CD1-CG2 4.11Å; L65-L99 HydrophobicContact CD1-CD1 3.89Å; L65-Y123 HydrophobicContact CD1-CD1 4.03Å; L65-Y123 HydrophobicContact CD1-CE1 4.46Å; L65-Y123 HydrophobicContact CD1-CG 4.29Å; L65-Y123 HydrophobicContact CD2-CD1 3.87Å; L65-Y123 HydrophobicContact CD2-CE1 3.89Å; L65-Y123 HydrophobicContact CG-CD1 3.69Å; L65-Y123 HydrophobicContact CG-CE1 4.21Å; L65-Y123 HydrophobicContact CG-CG 4.33Å
66G88.2Confident85.6Confident14 Ų1458.7 Ų58.714%0.14433%0.327CS..Hα-helixtrans-60.9-35.117400000113.1L58 S63 L64 G70L58-G66 WeakPolarHBondContact O-CA 3.44Å; L58-G66 PolarHBondContact O-N 2.74Å; L58-G66 VanDerWaalsContact O-N 3.13Å; S63-G66 WeakPolarHBondContact O-CA 3.17Å; S63-G66 PolarHBondContact O-N 2.56Å; S63-G66 PolarHBondContact OG-N 2.85Å; S63-G66 VanDerWaalsContact OG-N 3.13Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.15Å; G66-G70 VanDerWaalsContact O-CA 3.28Å; G66-G70 WeakPolarHBondContact O-CA 3.34Å; G66-G70 PolarHBondContact O-N 3.39Å
67A87.8Confident85.5Confident23 Ų2353.3 Ų53.319%0.1931%0.305CS..Hα-helixtrans-72.4-43.6175.800000112.7S63 L64 L65 G71 K72 T73S63-A67 PolarHBondContact O-N 3.36Å; L64-A67 WeakPolarHBondContact O-CB 3.31Å; L64-A67 PolarHBondContact O-N 3.34Å; L64-A67 VanDerWaalsContact O-N 3.16Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 2.68Å; A67-G71 PolarHBondContact O-N 2.99Å; A67-K72 HydrophobicContact CB-CB 4.3Å; A67-K72 PolarHBondContact O-N 2.89Å; A67-T73 PolarHBondContact O-N 2.97Å
68M87.6Confident85.4Confident22 Ų2256 Ų5611%0.10832%0.319CS..Hα-helixtrans-58.5-49.9175.9-74.1174.6173.800111.7L64 L65 V75L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 HydrophobicContact CD2-CE 3.77Å; L64-M68 HydrophobicContact CG-CE 3.72Å; L64-M68 HydrophobicContact CG-SD 4.29Å; L64-M68 WeakPolarHBondContact O-CG 3.37Å; L64-M68 PolarHBondContact O-N 3.45Å; L65-M68 HydrophobicContact CD2-SD 4.3Å; L65-M68 PolarHBondContact O-N 3.08Å; M68-V75 HydrophobicContact CB-CG1 3.66Å; M68-V75 HydrophobicContact CG-CG1 3.85Å
69F86.4Confident85.2Confident9 Ų965.1 Ų65.14%0.03936%0.358CS..Hα-helixtrans-89.6-11.7-175.5-71.7-81.4000113.7A42 L44 L55 L58 T59 L65 G71 V83A42-F69 HydrophobicContact CB-CD1 4.03Å; A42-F69 HydrophobicContact CB-CE1 3.64Å; A42-F69 HydrophobicContact CB-CZ 4.36Å; L44-F69 HydrophobicContact CD2-CE2 3.58Å; L44-F69 HydrophobicContact CD2-CZ 3.49Å; L44-F69 VanDerWaalsContact CD2-CZ 3.49Å; L44-F69 HydrophobicContact CG-CE2 4.41Å; L44-F69 HydrophobicContact CG-CZ 3.82Å; L55-F69 HydrophobicContact CD1-CB 3.76Å; L55-F69 HydrophobicContact CD1-CD1 3.68Å; L55-F69 HydrophobicContact CD1-CG 4.07Å; L58-F69 HydrophobicContact CB-CB 4.23Å; L58-F69 HydrophobicContact CB-CD2 4.07Å; L58-F69 HydrophobicContact CB-CG 4.2Å; L58-F69 HydrophobicContact CD1-CD1 3.91Å; L58-F69 HydrophobicContact CD1-CD2 3.65Å; L58-F69 HydrophobicContact CD1-CE1 3.99Å; L58-F69 HydrophobicContact CD1-CE2 3.76Å; L58-F69 HydrophobicContact CD1-CG 3.74Å; L58-F69 HydrophobicContact CD1-CZ 3.92Å; L58-F69 HydrophobicContact CG-CD2 4.32Å; T59-F69 HydrophobicContact CG2-CB 4.24Å; L65-F69 HydrophobicContact CD2-CE2 4.37Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.78Å; F69-G71 VanDerWaalsContact C-N 3.33Å; F69-V83 HydrophobicContact CE1-CB 4.4Å; F69-V83 HydrophobicContact CE1-CG2 3.82Å; F69-V83 HydrophobicContact CZ-CB 3.96Å; F69-V83 HydrophobicContact CZ-CG1 3.9Å; F69-V83 HydrophobicContact CZ-CG2 3.89Å
70G79.6Confident85Confident43 Ų4368.7 Ų68.744%0.44337%0.37SS..THydrogen-bonded Turntrans-87.34.6170.500000114.2G66 K72G66-G70 VanDerWaalsContact O-CA 3.28Å; G66-G70 WeakPolarHBondContact O-CA 3.34Å; G66-G70 PolarHBondContact O-N 3.39Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.4Å
71G76.9Confident84.9Confident51 Ų5167.8 Ų67.853%0.52637%0.371SS..THydrogen-bonded Turntrans74.916.8177.100000114.9A67 F69A67-G71 PolarHBondContact O-N 2.99Å; F69-G71 VanDerWaalsContact C-N 3.33Å
72K73.4Confident85.2Confident173 Ų17365.5 Ų65.575%0.75236%0.358SS*.SBendtrans-92.8-11.2-179.7-61.1180-178.11770113A67 G70A67-K72 HydrophobicContact CB-CB 4.3Å; A67-K72 PolarHBondContact O-N 2.89Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.4Å
73T77.6Confident85.6Confident57 Ų5758.2 Ų58.235%0.3532%0.319SS..SBendtrans-138.3145.3-175-52.70000109.8A67A67-T73 PolarHBondContact O-N 2.97Å
74E78.9Confident85.7Confident136 Ų13660.8 Ų60.864%0.63633%0.332SS*.  trans-70.8138.1174-62.5-171.4166.500110.7
75V85.3Confident85.8Confident14 Ų1459.5 Ų59.59%0.08533%0.326CS..  trans-126.5141.5-179.4-65.70000110.4Y31 M68 V83Y31-V75 HydrophobicContact CD2-CG2 3.51Å; Y31-V75 HydrophobicContact CE2-CG2 3.88Å; Y31-V75 HydrophobicContact CG-CG2 4.29Å; M68-V75 HydrophobicContact CB-CG1 3.66Å; M68-V75 HydrophobicContact CG-CG1 3.85Å; V75-V83 HydrophobicContact CB-CG1 4.13Å; V75-V83 HydrophobicContact CG1-CG1 4.44Å
76F87.6Confident86Confident103 Ų10366.9 Ų66.945%0.45237%0.365SS..EExtended strand (participates in β ladder)trans-84.6129.8173.7-65.7-79000109.5V83 L84F76-V83 CarbonylContact O-C 3.59Å; F76-V83 WeakPolarHBondContact O-CA 3.5Å; F76-L84 HydrophobicContact CB-CB 4.32Å; F76-L84 PolarHBondContact O-N 3.32Å
77T88.9Confident86.3Confident46 Ų4669.6 Ų69.628%0.28237%0.371SS..EExtended strand (participates in β ladder)trans-128.3137.1180-48.60000109.8G81 W82T77-G81 VanDerWaalsContact CG2-C 3.44Å; T77-W82 CarbonylContact C-O 3.59Å; T77-W82 VanDerWaalsContact CA-O 3.26Å; T77-W82 WeakPolarHBondContact CA-O 3.48Å; T77-W82 WeakPolarHBondContact CG2-O 3.41Å
78D88.8Confident86.6Confident75 Ų7571.5 Ų71.540%0.40138%0.383SS..  trans-79.2171.1173.9-163.510.7000112E80 G81 W82 L84D78-E80 PolarHBondContact O-N 3.17Å; D78-E80 VanDerWaalsContact O-N 3.1Å; D78-G81 PolarHBondContact O-N 2.98Å; D78-W82 PolarHBondContact N-O 3.25Å; D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 4.32Å
79K86.3Confident86.9Confident191 Ų19170.6 Ų70.683%0.8338%0.38SS*.THydrogen-bonded Turntrans-54.5-28.1178.2-61175.5-174.6171.90113.3
80E83.8Confident87.3Confident137 Ų13776.2 Ų76.264%0.6440%0.404SS*.THydrogen-bonded Turntrans-89.6-0.9179.4-67.5178.9-174.200114D78 W82D78-E80 PolarHBondContact O-N 3.17Å; D78-E80 VanDerWaalsContact O-N 3.1Å; E80-W82 PolarHBondContact OE2-NE1 3.29Å
81G85.4Confident88Confident39 Ų3975 Ų7540%0.40239%0.387SS..  trans86.415.9179.200000115T77 D78T77-G81 VanDerWaalsContact CG2-C 3.44Å; D78-G81 PolarHBondContact O-N 2.98Å
82W90.3Very high88.9Confident41 Ų4172.7 Ų72.716%0.15536%0.362CS..PPolyproline II helixtrans-80.6124.8173.5-6998.2000111.1R43 L44 N45 L50 T77 D78 E80 L84R43-W82 HydrophobicContact CB-CD2 3.89Å; R43-W82 HydrophobicContact CB-CE3 3.56Å; R43-W82 HydrophobicContact CB-CH2 4.33Å; R43-W82 HydrophobicContact CB-CZ3 3.8Å; R43-W82 HydrophobicContact CG-CE3 4.44Å; R43-W82 HydrophobicContact CG-CH2 4.4Å; R43-W82 HydrophobicContact CG-CZ3 4.33Å; L44-W82 WeakPolarHBondContact O-CZ3 3.34Å; N45-W82 HydrophobicContact CB-CB 4.34Å; N45-W82 HydrophobicContact CB-CE3 4.47Å; L50-W82 HydrophobicContact CB-CH2 3.83Å; L50-W82 HydrophobicContact CB-CZ3 3.82Å; L50-W82 HydrophobicContact CD1-CH2 4.12Å; L50-W82 HydrophobicContact CD1-CZ2 4.1Å; L50-W82 HydrophobicContact CD2-CD2 4.14Å; L50-W82 HydrophobicContact CD2-CE3 3.89Å; L50-W82 HydrophobicContact CD2-CH2 4.19Å; L50-W82 HydrophobicContact CD2-CZ2 4.38Å; L50-W82 HydrophobicContact CD2-CZ3 3.93Å; L50-W82 HydrophobicContact CG-CH2 4.27Å; L50-W82 HydrophobicContact CG-CZ3 4.33Å; T77-W82 CarbonylContact C-O 3.59Å; T77-W82 VanDerWaalsContact CA-O 3.26Å; T77-W82 WeakPolarHBondContact CA-O 3.48Å; T77-W82 WeakPolarHBondContact CG2-O 3.41Å; D78-W82 PolarHBondContact N-O 3.25Å; E80-W82 PolarHBondContact OE2-NE1 3.29Å; W82-L84 HydrophobicContact CB-CD2 4.37Å; W82-L84 PolarHBondContact O-N 2.97Å
83V91.8Very high89.9Confident7 Ų768.5 Ų68.54%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-74.2120.4171178.10000109.1R43 L44 N45 F69 V75 F76R43-V83 PolarHBondContact O-N 2.86Å; L44-V83 CarbonylContact C-O 3.58Å; L44-V83 WeakPolarHBondContact CA-O 3.35Å; N45-V83 PolarHBondContact N-O 3.45Å; F69-V83 HydrophobicContact CE1-CB 4.4Å; F69-V83 HydrophobicContact CE1-CG2 3.82Å; F69-V83 HydrophobicContact CZ-CB 3.96Å; F69-V83 HydrophobicContact CZ-CG1 3.9Å; F69-V83 HydrophobicContact CZ-CG2 3.89Å; V75-V83 HydrophobicContact CB-CG1 4.13Å; V75-V83 HydrophobicContact CG1-CG1 4.44Å; F76-V83 CarbonylContact O-C 3.59Å; F76-V83 WeakPolarHBondContact O-CA 3.5Å
84L93Very high90.8Very high60 Ų6066.9 Ų66.931%0.31434%0.339SS..EExtended strand (participates in β ladder)trans-92125.6-175.5-53.6-177.9000110.3N45 F76 D78 W82N45-L84 HydrophobicContact CB-CD2 3.8Å; F76-L84 HydrophobicContact CB-CB 4.32Å; F76-L84 PolarHBondContact O-N 3.32Å; D78-L84 HydrophobicContact CB-CD1 4.42Å; D78-L84 HydrophobicContact CB-CD2 4.32Å; W82-L84 HydrophobicContact CB-CD2 4.37Å; W82-L84 PolarHBondContact O-N 2.97Å
85I93.9Very high91.6Very high9 Ų960.4 Ų60.45%0.04631%0.309CS..EExtended strand (participates in β ladder)trans-122.7118.2175.1-59.4176.6000108.3L44 N45 V46 G47 L65 R87 Y122 Y123L44-I85 HydrophobicContact CD2-CD1 3.96Å; N45-I85 PolarHBondContact O-N 2.96Å; V46-I85 WeakPolarHBondContact CA-O 3.47Å; V46-I85 HydrophobicContact CG1-CB 4.34Å; V46-I85 HydrophobicContact CG1-CG2 4.26Å; V46-I85 HydrophobicContact CG2-CB 4.24Å; V46-I85 HydrophobicContact CG2-CD1 4.16Å; G47-I85 PolarHBondContact N-O 3.33Å; L65-I85 HydrophobicContact CD2-CD1 3.97Å; I85-R87 HydrophobicContact CG2-CB 3.89Å; I85-R87 HydrophobicContact CG2-CG 3.71Å; I85-R87 PolarHBondContact O-N 3.43Å; I85-Y122 HydrophobicContact CG2-CE1 4.5Å; I85-Y123 HydrophobicContact CD1-CE1 4.47Å; I85-Y123 HydrophobicContact CG2-CE1 4.31Å
86D94.5Very high92Very high155 Ų15559.9 Ų59.983%0.82931%0.305SS*.  trans-81.364.5178.3-171.123.2000111.3
87R94.9Very high92.3Very high70 Ų7057.2 Ų57.226%0.26430%0.296SS..SBendtrans-141.4163.8178-64.7-59-60.6173.12.3110.5V46 G47 I85 G89 E119 Y122V46-R87 CarbonylContact C-O 3.34Å; V46-R87 HydrophobicContact CG1-CB 4.15Å; G47-R87 WeakPolarHBondContact CA-O 3.42Å; G47-R87 PolarHBondContact N-O 2.93Å; I85-R87 HydrophobicContact CG2-CB 3.89Å; I85-R87 HydrophobicContact CG2-CG 3.71Å; I85-R87 PolarHBondContact O-N 3.43Å; R87-G89 PolarHBondContact O-N 2.96Å; R87-E119 IonicContact CZ-OE1 3.15Å; R87-E119 IonicContact CZ-OE2 3.34Å; R87-E119 IonicContact NE-OE1 3.11Å; R87-E119 IonicContact NE-OE2 3.55Å; R87-E119 PolarHBondContact NE-OE2 2.96Å; R87-E119 IonicContact NH2-OE1 2.74Å; R87-E119 PolarHBondContact NH2-OE1 2.84Å; R87-E119 IonicContact NH2-OE2 3.6Å; R87-E119 PolarHBondContact NH2-OE2 3.03Å; R87-Y122 HydrophobicContact CG-CD1 3.7Å; R87-Y122 HydrophobicContact CG-CD2 4.47Å; R87-Y122 HydrophobicContact CG-CE1 3.38Å; R87-Y122 HydrophobicContact CG-CE2 4.2Å; R87-Y122 HydrophobicContact CG-CG 4.23Å
88S94Very high92.6Very high63 Ų6355.9 Ų55.944%0.44129%0.286SS..  trans-71.7121175.9-178.40000111.6K90S88-K90 PolarHBondContact O-N 2.91Å; S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.4Å
89G93.3Very high92.8Very high4 Ų452.5 Ų52.54%0.04127%0.268CS..G310 helixtrans-72.9-6.117500000114.8V46 R87 H91 F92V46-G89 WeakPolarHBondContact O-CA 3.48Å; V46-G89 PolarHBondContact O-N 3.06Å; R87-G89 PolarHBondContact O-N 2.96Å; G89-H91 VanDerWaalsContact C-N 3.31Å; G89-H91 PolarHBondContact O-N 3.46Å; G89-F92 WeakPolarHBondContact O-CB 3.33Å; G89-F92 PolarHBondContact O-N 3.31Å; G89-F92 VanDerWaalsContact O-N 3.12Å
90K94.6Very high93.1Very high126 Ų12648.5 Ų48.555%0.54825%0.247SC..G310 helixtrans-51.6-44.9-172.1-178-177.8178.8-174.30113.4S88 E115S88-K90 PolarHBondContact O-N 2.91Å; S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.4Å; K90-E115 WeakPolarHBondContact CE-OE2 3.28Å; K90-E115 IonicContact NZ-OE1 2.82Å; K90-E115 PolarHBondContact NZ-OE1 3.21Å; K90-E115 IonicContact NZ-OE2 3.7Å; K90-E115 PolarHBondContact NZ-OE2 3.32Å
91H95.2Very high93.4Very high19 Ų1947.4 Ų47.49%0.08825%0.246CC..G310 helixtrans-1077.7-177.1-65.2-63.7000113.4G89 N93 S94 I95 E115 L116G89-H91 VanDerWaalsContact C-N 3.31Å; G89-H91 PolarHBondContact O-N 3.46Å; H91-N93 PolarHBondContact O-N 3.09Å; H91-S94 WeakPolarHBondContact O-CB 3.14Å; H91-S94 PolarHBondContact O-N 2.76Å; H91-I95 PolarHBondContact O-N 3.42Å; H91-E115 IonicContact CD2-OE2 2.94Å; H91-E115 IonicContact CE1-OE2 3.58Å; H91-E115 VanDerWaalsContact NE2-CB 3.34Å; H91-E115 WeakPolarHBondContact NE2-CB 3.35Å; H91-E115 IonicContact NE2-OE2 3.41Å; H91-E115 PolarHBondContact NE2-OE2 3.08Å; H91-L116 HydrophobicContact CB-CB 4.35Å; H91-L116 HydrophobicContact CB-CD1 3.9Å
92F95.9Very high93.5Very high1 Ų147 Ų470%0.00424%0.241CC..Hα-helixtrans-66.7-25.6-174.3-167.2-102.9000112.6L44 V46 F51 L65 G89 S94 I95 L96 Y123L44-F92 HydrophobicContact CD2-CE1 4.46Å; L44-F92 HydrophobicContact CD2-CZ 4.08Å; V46-F92 HydrophobicContact CB-CG 4.48Å; V46-F92 HydrophobicContact CG1-CD2 4.17Å; V46-F92 HydrophobicContact CG1-CG 4.37Å; V46-F92 HydrophobicContact CG2-CD1 3.97Å; V46-F92 HydrophobicContact CG2-CD2 4.11Å; V46-F92 HydrophobicContact CG2-CE1 3.9Å; V46-F92 HydrophobicContact CG2-CE2 4.06Å; V46-F92 HydrophobicContact CG2-CG 4.06Å; V46-F92 HydrophobicContact CG2-CZ 3.96Å; F51-F92 HydrophobicContact CB-CD1 4.31Å; F51-F92 HydrophobicContact CB-CE1 4.18Å; F51-F92 AromaticContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CD1 3.76Å; F51-F92 HydrophobicContact CD1-CE1 4.4Å; F51-F92 AromaticContact CD2-CD1 3.47Å; F51-F92 HydrophobicContact CD2-CD1 3.47Å; F51-F92 VanDerWaalsContact CD2-CD1 3.47Å; F51-F92 AromaticContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CE1 3.98Å; F51-F92 HydrophobicContact CD2-CG 4.32Å; F51-F92 HydrophobicContact CE1-CB 4.24Å; F51-F92 AromaticContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE1-CD1 3.87Å; F51-F92 HydrophobicContact CE2-CB 3.85Å; F51-F92 AromaticContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CD1 3.58Å; F51-F92 HydrophobicContact CE2-CE1 4.49Å; F51-F92 HydrophobicContact CE2-CG 4.02Å; F51-F92 AromaticContact CG-CD1 3.56Å; F51-F92 HydrophobicContact CG-CD1 3.56Å; F51-F92 AromaticContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CG-CE1 3.92Å; F51-F92 HydrophobicContact CZ-CB 3.65Å; F51-F92 AromaticContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CD1 3.79Å; F51-F92 HydrophobicContact CZ-CG 4.16Å; L65-F92 HydrophobicContact CD1-CE2 4.11Å; L65-F92 HydrophobicContact CD1-CZ 4.2Å; L65-F92 HydrophobicContact CD2-CE2 4.49Å; L65-F92 HydrophobicContact CD2-CZ 4.47Å; G89-F92 WeakPolarHBondContact O-CB 3.33Å; G89-F92 PolarHBondContact O-N 3.31Å; G89-F92 VanDerWaalsContact O-N 3.12Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.74Å; F92-I95 HydrophobicContact CD2-CB 4.38Å; F92-I95 HydrophobicContact CD2-CG1 4.5Å; F92-I95 HydrophobicContact CE2-CG2 4.49Å; F92-I95 WeakPolarHBondContact O-CB 3.43Å; F92-I95 PolarHBondContact O-N 2.98Å; F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CD1-CG 4.06Å; F92-L96 HydrophobicContact CE1-CD1 3.87Å; F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CE1-CG 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.24Å; F92-L96 HydrophobicContact CZ-CG 4.48Å; F92-L96 WeakPolarHBondContact O-CG 3.01Å; F92-L96 PolarHBondContact O-N 3.1Å; F92-Y123 AromaticContact CD2-CE2 3.86Å; F92-Y123 HydrophobicContact CD2-CE2 3.86Å; F92-Y123 AromaticContact CD2-CZ 3.79Å; F92-Y123 WeakPolarHBondContact CD2-OH 3.39Å; F92-Y123 HydrophobicContact CE2-CE1 4.09Å; F92-Y123 AromaticContact CE2-CE2 3.98Å; F92-Y123 HydrophobicContact CE2-CE2 3.98Å; F92-Y123 AromaticContact CE2-CZ 3.61Å
93N94.6Very high93.3Very high86 Ų8649.5 Ų49.546%0.4626%0.261SS..Hα-helixtrans-63.4-38.1172.1-164.344.4000112.4H91 I95 L96 N97H91-N93 PolarHBondContact O-N 3.09Å; N93-I95 VanDerWaalsContact C-N 3.33Å; N93-L96 PolarHBondContact O-N 2.82Å; N93-N97 WeakPolarHBondContact O-CB 3.44Å; N93-N97 VanDerWaalsContact O-CG 3.24Å; N93-N97 PolarHBondContact O-N 3.07Å; N93-N97 PolarHBondContact O-ND2 3.11Å
94S95.3Very high93.3Very high22 Ų2250.5 Ų50.515%0.15427%0.267CS..Hα-helixtrans-66.8-36174.8-60.40000111.7H91 F92 Y98H91-S94 WeakPolarHBondContact O-CB 3.14Å; H91-S94 PolarHBondContact O-N 2.76Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.74Å; S94-Y98 WeakPolarHBondContact O-CB 3.18Å; S94-Y98 PolarHBondContact O-N 2.75Å
95I95.6Very high93.1Very high0 Ų054 Ų540%029%0.292CS..Hα-helixtrans-59.9-50171.9-59-61.8000110.4L65 H91 F92 N93 N97 Y98 L99 L116 E119 A120 Y123 I125 L128L65-I95 HydrophobicContact CD1-CG2 4.11Å; H91-I95 PolarHBondContact O-N 3.42Å; F92-I95 HydrophobicContact CD2-CB 4.38Å; F92-I95 HydrophobicContact CD2-CG1 4.5Å; F92-I95 HydrophobicContact CE2-CG2 4.49Å; F92-I95 WeakPolarHBondContact O-CB 3.43Å; F92-I95 PolarHBondContact O-N 2.98Å; N93-I95 VanDerWaalsContact C-N 3.33Å; I95-N97 PolarHBondContact O-N 2.96Å; I95-Y98 PolarHBondContact O-N 2.64Å; I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.07Å; I95-L116 HydrophobicContact CD1-CD1 3.8Å; I95-L116 HydrophobicContact CG1-CD1 4.34Å; I95-E119 HydrophobicContact CD1-CB 4.4Å; I95-A120 HydrophobicContact CD1-CB 4.44Å; I95-Y123 HydrophobicContact CD1-CD2 4.22Å; I95-Y123 HydrophobicContact CG1-CD2 4.15Å; I95-Y123 HydrophobicContact CG1-CE2 4.32Å; I95-Y123 HydrophobicContact CG2-CD2 4.23Å; I95-I125 HydrophobicContact CD1-CD1 4.4Å; I95-I125 HydrophobicContact CG2-CD1 3.52Å; I95-L128 HydrophobicContact CD1-CD2 3.54Å
96L94.8Very high92.9Very high3 Ų355.4 Ų55.42%0.01630%0.299CS..Hα-helixtrans-63.2-42.2179.6-69.1179000112.5F51 T53 L58 F92 N93 Y98 L99 R100F51-L96 HydrophobicContact CB-CD1 4.46Å; F51-L96 HydrophobicContact CD1-CD1 3.99Å; F51-L96 HydrophobicContact CG-CD1 4.48Å; T53-L96 HydrophobicContact CG2-CD2 4.06Å; L58-L96 HydrophobicContact CD2-CD2 3.98Å; F92-L96 HydrophobicContact CD1-CD1 4Å; F92-L96 HydrophobicContact CD1-CG 4.06Å; F92-L96 HydrophobicContact CE1-CD1 3.87Å; F92-L96 HydrophobicContact CE1-CD2 3.92Å; F92-L96 HydrophobicContact CE1-CG 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.24Å; F92-L96 HydrophobicContact CZ-CG 4.48Å; F92-L96 WeakPolarHBondContact O-CG 3.01Å; F92-L96 PolarHBondContact O-N 3.1Å; N93-L96 PolarHBondContact O-N 2.82Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-L99 PolarHBondContact O-N 2.65Å; L96-R100 WeakPolarHBondContact O-CG 3.25Å; L96-R100 PolarHBondContact O-N 3.24Å; L96-R100 VanDerWaalsContact O-N 3.08Å
97N94.5Very high92.7Very high47 Ų4749.4 Ų49.425%0.25127%0.268SS..Hα-helixtrans-63.4-42.4177.9-70-14.7000111.3N93 I95 L99 R100 D101 V104N93-N97 WeakPolarHBondContact O-CB 3.44Å; N93-N97 VanDerWaalsContact O-CG 3.24Å; N93-N97 PolarHBondContact O-N 3.07Å; N93-N97 PolarHBondContact O-ND2 3.11Å; I95-N97 PolarHBondContact O-N 2.96Å; N97-L99 VanDerWaalsContact C-N 3.32Å; N97-L99 PolarHBondContact O-N 3.42Å; N97-R100 PolarHBondContact O-N 3.2Å; N97-R100 VanDerWaalsContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.48Å; N97-D101 PolarHBondContact O-N 3.17Å; N97-V104 HydrophobicContact CB-CG2 4.08Å
98Y95Very high92.2Very high19 Ų1955.8 Ų55.88%0.07530%0.298CS..Hα-helixtrans-59.8-42174.4-173.9-94.1000112.3S94 I95 L96 R100 G102 V104 I125 G127 L128 L131S94-Y98 WeakPolarHBondContact O-CB 3.18Å; S94-Y98 PolarHBondContact O-N 2.75Å; I95-Y98 PolarHBondContact O-N 2.64Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 3.03Å; Y98-G102 WeakPolarHBondContact CE2-O 3.41Å; Y98-G102 VanDerWaalsContact O-CA 3.23Å; Y98-G102 WeakPolarHBondContact O-CA 3.25Å; Y98-G102 PolarHBondContact O-N 3.06Å; Y98-V104 HydrophobicContact CD2-CB 4.27Å; Y98-V104 HydrophobicContact CD2-CG1 3.96Å; Y98-I125 HydrophobicContact CD1-CG2 3.46Å; Y98-I125 VanDerWaalsContact CD1-CG2 3.46Å; Y98-I125 HydrophobicContact CE1-CG2 3.38Å; Y98-G127 VanDerWaalsContact OH-C 3.24Å; Y98-G127 VanDerWaalsContact OH-CA 3.25Å; Y98-G127 WeakPolarHBondContact OH-CA 2.99Å; Y98-L128 HydrophobicContact CD1-CB 3.95Å; Y98-L128 HydrophobicContact CD1-CD2 4.48Å; Y98-L128 HydrophobicContact CD2-CB 4.22Å; Y98-L128 HydrophobicContact CD2-CD1 3.92Å; Y98-L128 HydrophobicContact CE1-CB 3.97Å; Y98-L128 HydrophobicContact CE2-CB 4.25Å; Y98-L128 HydrophobicContact CE2-CD1 4.42Å; Y98-L128 HydrophobicContact CG-CB 4.06Å; Y98-L128 HydrophobicContact CG-CD1 4.17Å; Y98-L128 HydrophobicContact CG-CD2 4.2Å; Y98-L128 HydrophobicContact CG-CG 4.38Å; Y98-L131 HydrophobicContact CD2-CD1 4.18Å; Y98-L131 HydrophobicContact CE2-CD1 3.54Å
99L92.8Very high91.7Very high4 Ų455.2 Ų55.22%0.02130%0.302CS..Hα-helixtrans-68.3-21.8177.8-69.5176.4000114V57 S60 Q61 L65 I95 L96 N97 I125V57-L99 HydrophobicContact CG1-CB 3.84Å; S60-L99 PolarHBondContact OG-O 3.31Å; Q61-L99 HydrophobicContact CB-CD2 4.35Å; L65-L99 HydrophobicContact CD1-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CD1 4.26Å; I95-L99 WeakPolarHBondContact O-CG 3.36Å; I95-L99 PolarHBondContact O-N 3.07Å; L96-L99 PolarHBondContact O-N 2.65Å; N97-L99 VanDerWaalsContact C-N 3.32Å; N97-L99 PolarHBondContact O-N 3.42Å; L99-I125 HydrophobicContact CD1-CD1 4.37Å; L99-I125 HydrophobicContact CD2-CD1 4.05Å; L99-I125 HydrophobicContact CG-CD1 4.22Å
100R92.6Very high91.4Very high107 Ų10762.2 Ų62.240%0.40433%0.327SS..Hα-helixtrans-81.4-51.4175.3-70.9170.3-171.5146.61.1111.5V57 L96 N97 Y98V57-R100 HydrophobicContact CB-CG 4.36Å; V57-R100 HydrophobicContact CG1-CG 3.6Å; V57-R100 HydrophobicContact CG2-CG 3.76Å; L96-R100 WeakPolarHBondContact O-CG 3.25Å; L96-R100 PolarHBondContact O-N 3.24Å; L96-R100 VanDerWaalsContact O-N 3.08Å; N97-R100 PolarHBondContact O-N 3.2Å; N97-R100 VanDerWaalsContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.48Å; Y98-R100 VanDerWaalsContact C-N 3.25Å; Y98-R100 PolarHBondContact O-N 3.03Å
101D90.6Very high91.3Very high114 Ų11463.2 Ų63.261%0.6133%0.334SS*.Hα-helixtrans-105.5-8.6-164.2-55.2-38000112.9N97 T103N97-D101 PolarHBondContact O-N 3.17Å; D101-T103 PolarHBondContact O-N 3.19Å; D101-T103 VanDerWaalsContact O-N 3.09Å
102G85.9Confident91.1Very high29 Ų2963.2 Ų63.230%0.29934%0.337SS..SBendtrans69.5-2.4-172.900000114.1Y98Y98-G102 WeakPolarHBondContact CE2-O 3.41Å; Y98-G102 VanDerWaalsContact O-CA 3.23Å; Y98-G102 WeakPolarHBondContact O-CA 3.25Å; Y98-G102 PolarHBondContact O-N 3.06Å
103T87.7Confident91Very high95 Ų9563.5 Ų63.558%0.58334%0.338SS*.  trans-140.8158.117863.70000109.4D101D101-T103 PolarHBondContact O-N 3.19Å; D101-T103 VanDerWaalsContact O-N 3.09Å
104V90.1Very high91Very high28 Ų2863.6 Ų63.617%0.1734%0.336CS..  trans-150.8141.2176.668.90000110.6N97 Y98 L106 L128N97-V104 HydrophobicContact CB-CG2 4.08Å; Y98-V104 HydrophobicContact CD2-CB 4.27Å; Y98-V104 HydrophobicContact CD2-CG1 3.96Å; V104-L106 HydrophobicContact CG1-CD2 4.13Å; V104-L106 PolarHBondContact O-N 2.88Å; V104-L128 HydrophobicContact CG1-CD1 3.51Å
105T89.3Confident91Very high134 Ų13465 Ų6582%0.82234%0.341SS*.  trans-70.4114.8167-47.40000108.8
106L90.2Very high91.1Very high37 Ų3765 Ų6519%0.19434%0.341CS..PPolyproline II helixtrans-66.9147.3-179.5-65.7177.2000111.3V104 V113 L116 L128 T135V104-L106 HydrophobicContact CG1-CD2 4.13Å; V104-L106 PolarHBondContact O-N 2.88Å; L106-V113 HydrophobicContact CB-CG2 4.45Å; L106-L116 HydrophobicContact CD2-CD2 3.73Å; L106-L128 HydrophobicContact CD2-CD1 4.25Å; L106-T135 HydrophobicContact CD1-CG2 3.93Å; L106-T135 WeakPolarHBondContact CD1-OG1 3.43Å
107P89.6Confident91.1Very high29 Ų2965.3 Ų65.319%0.18834%0.342CS..PPolyproline II helixtrans-63.1148.1178.127.5-35.2000111.1A112 V113 L116P107-A112 HydrophobicContact CB-CB 3.76Å; P107-A112 HydrophobicContact CG-CB 3.89Å; P107-V113 HydrophobicContact CG-CG2 4.34Å; P107-V113 WeakPolarHBondContact O-CG2 3.34Å; P107-L116 HydrophobicContact CG-CB 4.42Å; P107-L116 HydrophobicContact CG-CD2 4.17Å
108K84.4Confident91.2Very high205 Ų20566.3 Ų66.389%0.89135%0.35SS*.SBendtrans-71.1132.7179.2-64-176.3-178.8-178.70110.3
109G84.3Confident91.3Very high50 Ų5066.1 Ų66.152%0.51535%0.35SS..SBendtrans98.1140.8174.600000114Q111 A112 V113G109-Q111 VanDerWaalsContact C-N 3.32Å; G109-Q111 PolarHBondContact O-N 3.18Å; G109-A112 PolarHBondContact O-N 2.98Å; G109-V113 PolarHBondContact O-N 2.9Å
110R87.1Confident91.5Very high151 Ų15166 Ų6657%0.5735%0.349SS*.Hα-helixtrans-57.5-41.6-174.4-173.3177.7177.681.1-0.1112.9V113 Q114 L136R110-V113 PolarHBondContact O-N 3.35Å; R110-Q114 PolarHBondContact O-N 2.84Å; R110-L136 HydrophobicContact CG-CD2 3.75Å; R110-L136 PolarHBondContact NH1-O 2.77Å
111Q91.3Very high91.6Very high148 Ų14866 Ų6669%0.69235%0.352SS*.Hα-helixtrans-62.7-44.5179.1-177.5179.5-8.200111.8G109 V113 Q114 E115G109-Q111 VanDerWaalsContact C-N 3.32Å; G109-Q111 PolarHBondContact O-N 3.18Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 3.22Å; Q111-Q114 WeakPolarHBondContact O-CB 3.32Å; Q111-Q114 PolarHBondContact O-N 3.38Å; Q111-E115 PolarHBondContact NE2-OE1 2.88Å; Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.93Å
112A92.4Very high91.9Very high19 Ų1964.7 Ų64.716%0.15734%0.339CS..Hα-helixtrans-66-37.4-179.900000112P107 G109 E115 L116P107-A112 HydrophobicContact CB-CB 3.76Å; P107-A112 HydrophobicContact CG-CB 3.89Å; G109-A112 PolarHBondContact O-N 2.98Å; A112-E115 PolarHBondContact O-N 2.64Å; A112-L116 PolarHBondContact O-N 2.82Å
113V94Very high92.3Very high6 Ų663.3 Ų63.34%0.03633%0.325CS..Hα-helixtrans-66-38.5173.4-179.70000111.3L106 P107 G109 R110 Q111 L116 L117 C132 L136L106-V113 HydrophobicContact CB-CG2 4.45Å; P107-V113 HydrophobicContact CG-CG2 4.34Å; P107-V113 WeakPolarHBondContact O-CG2 3.34Å; G109-V113 PolarHBondContact O-N 2.9Å; R110-V113 PolarHBondContact O-N 3.35Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 3.22Å; V113-L116 PolarHBondContact O-N 2.99Å; V113-L117 WeakPolarHBondContact O-CB 3.43Å; V113-L117 PolarHBondContact O-N 3.22Å; V113-C132 HydrophobicContact CG1-CB 4.07Å; V113-L136 HydrophobicContact CB-CD2 4.15Å; V113-L136 HydrophobicContact CG1-CD1 4.16Å; V113-L136 HydrophobicContact CG1-CD2 3.97Å; V113-L136 HydrophobicContact CG1-CG 3.79Å
114Q94.2Very high92.7Very high89 Ų8964.1 Ų64.142%0.41633%0.325SS..Hα-helixtrans-65.1-42.6175.5-171.668.423.800111.9R110 Q111 L117 V118 L136R110-Q114 PolarHBondContact O-N 2.84Å; Q111-Q114 WeakPolarHBondContact O-CB 3.32Å; Q111-Q114 PolarHBondContact O-N 3.38Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 2.78Å; Q114-V118 WeakPolarHBondContact O-CG2 3.43Å; Q114-V118 PolarHBondContact O-N 2.84Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; Q114-L136 VanDerWaalsContact OE1-CD1 3.24Å
115E95.4Very high92.9Very high52 Ų5263 Ų6324%0.24332%0.317CS..Hα-helixtrans-61.5-45.4175-70.7170.4-172.700111.2K90 H91 Q111 A112 L117 V118 E119K90-E115 WeakPolarHBondContact CE-OE2 3.28Å; K90-E115 IonicContact NZ-OE1 2.82Å; K90-E115 PolarHBondContact NZ-OE1 3.21Å; K90-E115 IonicContact NZ-OE2 3.7Å; K90-E115 PolarHBondContact NZ-OE2 3.32Å; H91-E115 IonicContact CD2-OE2 2.94Å; H91-E115 IonicContact CE1-OE2 3.58Å; H91-E115 VanDerWaalsContact NE2-CB 3.34Å; H91-E115 WeakPolarHBondContact NE2-CB 3.35Å; H91-E115 IonicContact NE2-OE2 3.41Å; H91-E115 PolarHBondContact NE2-OE2 3.08Å; Q111-E115 PolarHBondContact NE2-OE1 2.88Å; Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.93Å; A112-E115 PolarHBondContact O-N 2.64Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.92Å; E115-V118 PolarHBondContact O-N 3.43Å; E115-E119 PolarHBondContact O-N 3.29Å
116L96.4Very high93.1Very high0 Ų062.1 Ų62.10%030%0.304CS..Hα-helixtrans-62.7-39.5175.2175.961.7000112.2H91 I95 L106 P107 A112 V113 V118 E119 A120 L128H91-L116 HydrophobicContact CB-CB 4.35Å; H91-L116 HydrophobicContact CB-CD1 3.9Å; I95-L116 HydrophobicContact CD1-CD1 3.8Å; I95-L116 HydrophobicContact CG1-CD1 4.34Å; L106-L116 HydrophobicContact CD2-CD2 3.73Å; P107-L116 HydrophobicContact CG-CB 4.42Å; P107-L116 HydrophobicContact CG-CD2 4.17Å; A112-L116 PolarHBondContact O-N 2.82Å; V113-L116 PolarHBondContact O-N 2.99Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.35Å; L116-E119 PolarHBondContact O-N 3.11Å; L116-A120 WeakPolarHBondContact O-CB 2.77Å; L116-A120 PolarHBondContact O-N 2.87Å; L116-L128 HydrophobicContact CD1-CD2 4.29Å
117L96.1Very high93.2Very high8 Ų861.4 Ų61.44%0.04231%0.306CS..Hα-helixtrans-59.2-39.2176.6173.962.5000111.9V113 Q114 E115 A120 K121 V129 C132 Q133 L136V113-L117 WeakPolarHBondContact O-CB 3.43Å; V113-L117 PolarHBondContact O-N 3.22Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 2.78Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.92Å; L117-A120 PolarHBondContact O-N 2.86Å; L117-K121 HydrophobicContact CD1-CD 4.43Å; L117-K121 HydrophobicContact CD1-CG 4.33Å; L117-K121 HydrophobicContact CG-CD 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.49Å; L117-V129 HydrophobicContact CD1-CB 4.33Å; L117-V129 HydrophobicContact CD1-CG1 3.92Å; L117-V129 HydrophobicContact CD1-CG2 4.44Å; L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 3.91Å; L117-C132 HydrophobicContact CG-CB 4.41Å; L117-Q133 HydrophobicContact CD1-CG 4.03Å; L117-Q133 HydrophobicContact CD2-CG 4.26Å; L117-L136 HydrophobicContact CD2-CD1 3.69Å
118V96.8Very high93.4Very high69 Ų6960 Ų6042%0.41830%0.297SS..Hα-helixtrans-62.3-44.4176.9172.10000110.6Q114 E115 L116 K121 Y122Q114-V118 WeakPolarHBondContact O-CG2 3.43Å; Q114-V118 PolarHBondContact O-N 2.84Å; Q114-V118 VanDerWaalsContact O-N 3.16Å; E115-V118 PolarHBondContact O-N 3.43Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 PolarHBondContact O-N 3.35Å; V118-K121 PolarHBondContact O-N 2.86Å; V118-Y122 PolarHBondContact O-N 2.77Å; V118-Y122 VanDerWaalsContact O-N 3.08Å
119E96.5Very high93.9Very high15 Ų1550.8 Ų50.87%0.0726%0.258CS..Hα-helixtrans-69.6-40.9177.2-60-48.8135.800112.4R87 I95 E115 L116 K121 Y122 Y123R87-E119 IonicContact CZ-OE1 3.15Å; R87-E119 IonicContact CZ-OE2 3.34Å; R87-E119 IonicContact NE-OE1 3.11Å; R87-E119 IonicContact NE-OE2 3.55Å; R87-E119 PolarHBondContact NE-OE2 2.96Å; R87-E119 IonicContact NH2-OE1 2.74Å; R87-E119 PolarHBondContact NH2-OE1 2.84Å; R87-E119 IonicContact NH2-OE2 3.6Å; R87-E119 PolarHBondContact NH2-OE2 3.03Å; I95-E119 HydrophobicContact CD1-CB 4.4Å; E115-E119 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 3.11Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.87Å; E119-Y122 WeakPolarHBondContact O-CB 3.39Å; E119-Y122 PolarHBondContact O-N 2.96Å; E119-Y123 HydrophobicContact CB-CD2 4.32Å; E119-Y123 HydrophobicContact CB-CE2 4.14Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.41Å
120A96Very high94.3Very high0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-59.1-38.6176.800000112.1I95 L116 L117 L124 I125 L128 V129I95-A120 HydrophobicContact CD1-CB 4.44Å; L116-A120 WeakPolarHBondContact O-CB 2.77Å; L116-A120 PolarHBondContact O-N 2.87Å; L117-A120 PolarHBondContact O-N 2.86Å; A120-L124 PolarHBondContact O-N 2.89Å; A120-I125 PolarHBondContact O-N 3.08Å; A120-L128 HydrophobicContact CB-CB 4.16Å; A120-L128 HydrophobicContact CB-CD2 3.88Å; A120-L128 HydrophobicContact CB-CG 3.82Å; A120-V129 HydrophobicContact CB-CG2 3.88Å
121K96.1Very high94.4Very high108 Ų10848.6 Ų48.647%0.4724%0.242SC..Hα-helixtrans-66.1-43.9172.2-76.3178.3175.3-175.80112.1L117 V118 E119 Y123 L124 V129L117-K121 HydrophobicContact CD1-CD 4.43Å; L117-K121 HydrophobicContact CD1-CG 4.33Å; L117-K121 HydrophobicContact CG-CD 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.49Å; V118-K121 PolarHBondContact O-N 2.86Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.87Å; K121-Y123 PolarHBondContact O-N 2.84Å; K121-L124 WeakPolarHBondContact O-CD2 3.25Å; K121-L124 PolarHBondContact O-N 3.06Å; K121-L124 VanDerWaalsContact O-N 3.17Å; K121-V129 HydrophobicContact CB-CG2 4.49Å; K121-V129 HydrophobicContact CG-CG1 4.31Å; K121-V129 HydrophobicContact CG-CG2 3.78Å
122Y95.7Very high94.5Very high86 Ų8641.5 Ų41.534%0.33721%0.209SC..Hα-helixtrans-60.3-46.1178.4176.6-93.6000111.9L64 I85 R87 V118 E119 L124L64-Y122 HydrophobicContact CD2-CD1 4.26Å; L64-Y122 HydrophobicContact CD2-CE1 3.79Å; L64-Y122 WeakPolarHBondContact CD2-O 3.19Å; I85-Y122 HydrophobicContact CG2-CE1 4.5Å; R87-Y122 HydrophobicContact CG-CD1 3.7Å; R87-Y122 HydrophobicContact CG-CD2 4.47Å; R87-Y122 HydrophobicContact CG-CE1 3.38Å; R87-Y122 HydrophobicContact CG-CE2 4.2Å; R87-Y122 HydrophobicContact CG-CG 4.23Å; V118-Y122 PolarHBondContact O-N 2.77Å; V118-Y122 VanDerWaalsContact O-N 3.08Å; E119-Y122 WeakPolarHBondContact O-CB 3.39Å; E119-Y122 PolarHBondContact O-N 2.96Å; Y122-L124 PolarHBondContact O-N 2.88Å
123Y95.3Very high94.5Very high1 Ų143.8 Ų43.80%0.00422%0.216CC..THydrogen-bonded Turntrans-78.80.7178.6-62-63.9000114S63 L64 L65 I85 F92 I95 E119 K121 I125S63-Y123 WeakPolarHBondContact CB-O 3.43Å; L64-Y123 WeakPolarHBondContact CB-O 3.39Å; L64-Y123 PolarHBondContact N-O 3.15Å; L65-Y123 HydrophobicContact CD1-CD1 4.03Å; L65-Y123 HydrophobicContact CD1-CE1 4.46Å; L65-Y123 HydrophobicContact CD1-CG 4.29Å; L65-Y123 HydrophobicContact CD2-CD1 3.87Å; L65-Y123 HydrophobicContact CD2-CE1 3.89Å; L65-Y123 HydrophobicContact CG-CD1 3.69Å; L65-Y123 HydrophobicContact CG-CE1 4.21Å; L65-Y123 HydrophobicContact CG-CG 4.33Å; I85-Y123 HydrophobicContact CD1-CE1 4.47Å; I85-Y123 HydrophobicContact CG2-CE1 4.31Å; F92-Y123 AromaticContact CD2-CE2 3.86Å; F92-Y123 HydrophobicContact CD2-CE2 3.86Å; F92-Y123 AromaticContact CD2-CZ 3.79Å; F92-Y123 WeakPolarHBondContact CD2-OH 3.39Å; F92-Y123 HydrophobicContact CE2-CE1 4.09Å; F92-Y123 AromaticContact CE2-CE2 3.98Å; F92-Y123 HydrophobicContact CE2-CE2 3.98Å; F92-Y123 AromaticContact CE2-CZ 3.61Å; I95-Y123 HydrophobicContact CD1-CD2 4.22Å; I95-Y123 HydrophobicContact CG1-CD2 4.15Å; I95-Y123 HydrophobicContact CG1-CE2 4.32Å; I95-Y123 HydrophobicContact CG2-CD2 4.23Å; E119-Y123 HydrophobicContact CB-CD2 4.32Å; E119-Y123 HydrophobicContact CB-CE2 4.14Å; E119-Y123 WeakPolarHBondContact O-CD2 3.49Å; E119-Y123 PolarHBondContact O-N 3.41Å; K121-Y123 PolarHBondContact O-N 2.84Å; Y123-I125 PolarHBondContact O-N 3.43Å
124L94.5Very high94.2Very high111 Ų11148.2 Ų48.258%0.58124%0.24SC*.THydrogen-bonded Turntrans58.341.3179.6-53.2174.3000113.4L64 A120 K121 Y122 Q126L64-L124 HydrophobicContact CB-CD1 4.38Å; L64-L124 HydrophobicContact CB-CG 4.45Å; A120-L124 PolarHBondContact O-N 2.89Å; K121-L124 WeakPolarHBondContact O-CD2 3.25Å; K121-L124 PolarHBondContact O-N 3.06Å; K121-L124 VanDerWaalsContact O-N 3.17Å; Y122-L124 PolarHBondContact O-N 2.88Å; L124-Q126 PolarHBondContact O-N 2.68Å
125I95.3Very high93.7Very high4 Ų446.9 Ų46.92%0.02124%0.238CC..  trans-97.185.5-179.5-56.1175.6000109.1I95 Y98 L99 A120 Y123 G127 L128 V129I95-I125 HydrophobicContact CD1-CD1 4.4Å; I95-I125 HydrophobicContact CG2-CD1 3.52Å; Y98-I125 HydrophobicContact CD1-CG2 3.46Å; Y98-I125 VanDerWaalsContact CD1-CG2 3.46Å; Y98-I125 HydrophobicContact CE1-CG2 3.38Å; L99-I125 HydrophobicContact CD1-CD1 4.37Å; L99-I125 HydrophobicContact CD2-CD1 4.05Å; L99-I125 HydrophobicContact CG-CD1 4.22Å; A120-I125 PolarHBondContact O-N 3.08Å; Y123-I125 PolarHBondContact O-N 3.43Å; I125-G127 PolarHBondContact O-N 2.89Å; I125-L128 HydrophobicContact CB-CB 4.22Å; I125-L128 HydrophobicContact CG2-CB 3.63Å; I125-L128 PolarHBondContact O-N 3.35Å; I125-L128 VanDerWaalsContact O-N 3.12Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.93Å
126Q92.9Very high93.2Very high116 Ų11645.5 Ų45.554%0.54223%0.232SC..Hα-helixtrans-57.6-46-169-174.257.43300113.7L124 L128 V129 E130L124-Q126 PolarHBondContact O-N 2.68Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.76Å; Q126-V129 WeakPolarHBondContact O-CB 3.47Å; Q126-V129 PolarHBondContact O-N 3.47Å; Q126-V129 VanDerWaalsContact O-N 3.13Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.25Å; Q126-E130 PolarHBondContact NE2-OE1 2.81Å; Q126-E130 PolarHBondContact O-N 3.44Å
127G92.4Very high92.3Very high23 Ų2351.8 Ų51.824%0.23726%0.262CS..Hα-helixtrans-64.7-30.3-179.900000113.3Y98 I125 L131Y98-G127 VanDerWaalsContact OH-C 3.24Å; Y98-G127 VanDerWaalsContact OH-CA 3.25Å; Y98-G127 WeakPolarHBondContact OH-CA 2.99Å; I125-G127 PolarHBondContact O-N 2.89Å; G127-L131 VanDerWaalsContact O-CG 3.32Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 3.44Å; G127-L131 VanDerWaalsContact O-N 3.08Å
128L93.9Very high90.5Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-75.7-34.7174.4-174.958000112.2I95 Y98 V104 L106 L116 A120 I125 Q126 E130 L131 C132I95-L128 HydrophobicContact CD1-CD2 3.54Å; Y98-L128 HydrophobicContact CD1-CB 3.95Å; Y98-L128 HydrophobicContact CD1-CD2 4.48Å; Y98-L128 HydrophobicContact CD2-CB 4.22Å; Y98-L128 HydrophobicContact CD2-CD1 3.92Å; Y98-L128 HydrophobicContact CE1-CB 3.97Å; Y98-L128 HydrophobicContact CE2-CB 4.25Å; Y98-L128 HydrophobicContact CE2-CD1 4.42Å; Y98-L128 HydrophobicContact CG-CB 4.06Å; Y98-L128 HydrophobicContact CG-CD1 4.17Å; Y98-L128 HydrophobicContact CG-CD2 4.2Å; Y98-L128 HydrophobicContact CG-CG 4.38Å; V104-L128 HydrophobicContact CG1-CD1 3.51Å; L106-L128 HydrophobicContact CD2-CD1 4.25Å; L116-L128 HydrophobicContact CD1-CD2 4.29Å; A120-L128 HydrophobicContact CB-CB 4.16Å; A120-L128 HydrophobicContact CB-CD2 3.88Å; A120-L128 HydrophobicContact CB-CG 3.82Å; I125-L128 HydrophobicContact CB-CB 4.22Å; I125-L128 HydrophobicContact CG2-CB 3.63Å; I125-L128 PolarHBondContact O-N 3.35Å; I125-L128 VanDerWaalsContact O-N 3.12Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 2.76Å; L128-E130 VanDerWaalsContact C-N 3.33Å; L128-L131 HydrophobicContact CD1-CD1 4.5Å; L128-L131 PolarHBondContact O-N 2.76Å; L128-C132 WeakPolarHBondContact O-CB 3.27Å; L128-C132 PolarHBondContact O-N 3.06Å; L128-C132 PolarHBondContact O-SG 3.4Å
129V94.7Very high88.4Confident10 Ų1056.4 Ų56.46%0.06130%0.297CS..Hα-helixtrans-58.9-47.5172.2170.30000110.1L117 A120 K121 I125 Q126 C132 Q133L117-V129 HydrophobicContact CD1-CB 4.33Å; L117-V129 HydrophobicContact CD1-CG1 3.92Å; L117-V129 HydrophobicContact CD1-CG2 4.44Å; A120-V129 HydrophobicContact CB-CG2 3.88Å; K121-V129 HydrophobicContact CB-CG2 4.49Å; K121-V129 HydrophobicContact CG-CG1 4.31Å; K121-V129 HydrophobicContact CG-CG2 3.78Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 WeakPolarHBondContact O-CB 3.47Å; Q126-V129 PolarHBondContact O-N 3.47Å; Q126-V129 VanDerWaalsContact O-N 3.13Å; V129-C132 PolarHBondContact O-N 2.94Å; V129-Q133 HydrophobicContact CG1-CG 4.38Å; V129-Q133 WeakPolarHBondContact O-CB 3.42Å; V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.27Å; V129-Q133 PolarHBondContact O-N 3.49Å
130E92.4Very high86.3Confident91 Ų9164.1 Ų64.143%0.42533%0.33SS..Hα-helixtrans-62.1-46.5178-72.2169.5-161.800111.9Q126 L128 C132 Q133 N134Q126-E130 WeakPolarHBondContact CG-OE1 3.25Å; Q126-E130 PolarHBondContact NE2-OE1 2.81Å; Q126-E130 PolarHBondContact O-N 3.44Å; L128-E130 VanDerWaalsContact C-N 3.33Å; E130-C132 VanDerWaalsContact C-N 3.33Å; E130-C132 PolarHBondContact O-N 3.3Å; E130-Q133 PolarHBondContact O-N 2.96Å; E130-N134 VanDerWaalsContact O-CB 3.29Å; E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 3.02Å; E130-N134 PolarHBondContact O-ND2 2.8Å
131L90.8Very high84.3Confident64 Ų6473 Ų7334%0.33537%0.372SS..Hα-helixtrans-57.2-44.4175.9-75.8173.1000112.6Y98 G127 L128 T135Y98-L131 HydrophobicContact CD2-CD1 4.18Å; Y98-L131 HydrophobicContact CE2-CD1 3.54Å; G127-L131 VanDerWaalsContact O-CG 3.32Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 3.44Å; G127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 HydrophobicContact CD1-CD1 4.5Å; L128-L131 PolarHBondContact O-N 2.76Å; L131-T135 WeakPolarHBondContact O-CB 3.46Å; L131-T135 PolarHBondContact O-N 3.36Å; L131-T135 VanDerWaalsContact O-N 3.08Å; L131-T135 PolarHBondContact O-OG1 3.35Å
132C92.4Very high82.3Confident0 Ų076.1 Ų76.10%039%0.388CS..Hα-helixtrans-68-44.2178.6-66.20000111.3V113 L117 L128 V129 E130 T135 L136V113-C132 HydrophobicContact CG1-CB 4.07Å; L117-C132 HydrophobicContact CB-CB 3.93Å; L117-C132 HydrophobicContact CD1-CB 3.91Å; L117-C132 HydrophobicContact CG-CB 4.41Å; L128-C132 WeakPolarHBondContact O-CB 3.27Å; L128-C132 PolarHBondContact O-N 3.06Å; L128-C132 PolarHBondContact O-SG 3.4Å; V129-C132 PolarHBondContact O-N 2.94Å; E130-C132 VanDerWaalsContact C-N 3.33Å; E130-C132 PolarHBondContact O-N 3.3Å; C132-T135 PolarHBondContact O-N 3.45Å; C132-L136 WeakPolarHBondContact O-CB 3.47Å; C132-L136 VanDerWaalsContact O-CG 3.22Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.49Å
133Q92.2Very high80.6Confident66 Ų6676.3 Ų76.331%0.30840%0.4SS..Hα-helixtrans-62.9-43.7177.9-76.9178.3-29.500112L117 V129 E130 T135 L136 Q137L117-Q133 HydrophobicContact CD1-CG 4.03Å; L117-Q133 HydrophobicContact CD2-CG 4.26Å; V129-Q133 HydrophobicContact CG1-CG 4.38Å; V129-Q133 WeakPolarHBondContact O-CB 3.42Å; V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.27Å; V129-Q133 PolarHBondContact O-N 3.49Å; E130-Q133 PolarHBondContact O-N 2.96Å; Q133-T135 VanDerWaalsContact C-N 3.3Å; Q133-T135 PolarHBondContact O-N 3.02Å; Q133-L136 PolarHBondContact O-N 2.99Å; Q133-Q137 WeakPolarHBondContact O-CB 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.33Å; Q133-Q137 PolarHBondContact O-N 3.16Å
134N87.5Confident79.1Confident99 Ų9984.5 Ų84.553%0.52944%0.44SS..Hα-helixtrans-62-39.7176.7-70.2-17.2000111.3E130 Q137 G138E130-N134 VanDerWaalsContact O-CB 3.29Å; E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 3.02Å; E130-N134 PolarHBondContact O-ND2 2.8Å; N134-Q137 PolarHBondContact O-N 3.23Å; N134-G138 WeakPolarHBondContact O-CA 3.45Å; N134-G138 PolarHBondContact O-N 3.3Å
135T85.4Confident78.5Confident62 Ų6280.8 Ų80.838%0.3842%0.423SS..Hα-helixtrans-68.2-38.3176.2-57.70000112.1L106 L131 C132 Q133L106-T135 HydrophobicContact CD1-CG2 3.93Å; L106-T135 WeakPolarHBondContact CD1-OG1 3.43Å; L131-T135 WeakPolarHBondContact O-CB 3.46Å; L131-T135 PolarHBondContact O-N 3.36Å; L131-T135 VanDerWaalsContact O-N 3.08Å; L131-T135 PolarHBondContact O-OG1 3.35Å; C132-T135 PolarHBondContact O-N 3.45Å; Q133-T135 VanDerWaalsContact C-N 3.3Å; Q133-T135 PolarHBondContact O-N 3.02Å
136L84.3Confident78.1Confident22 Ų2285.4 Ų85.412%0.11545%0.452CS..Hα-helixtrans-73-28.3177.8-69.7167.6000113.2R110 V113 Q114 L117 C132 Q133R110-L136 HydrophobicContact CG-CD2 3.75Å; R110-L136 PolarHBondContact NH1-O 2.77Å; V113-L136 HydrophobicContact CB-CD2 4.15Å; V113-L136 HydrophobicContact CG1-CD1 4.16Å; V113-L136 HydrophobicContact CG1-CD2 3.97Å; V113-L136 HydrophobicContact CG1-CG 3.79Å; Q114-L136 VanDerWaalsContact OE1-CD1 3.24Å; L117-L136 HydrophobicContact CD2-CD1 3.69Å; C132-L136 WeakPolarHBondContact O-CB 3.47Å; C132-L136 VanDerWaalsContact O-CG 3.22Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.49Å; Q133-L136 PolarHBondContact O-N 2.99Å
137Q76.6Confident78.2Confident133 Ų13382 Ų8262%0.62144%0.437SS*.Hα-helixtrans-84.7-33175.2-70.7175.151.300112.4Q133 N134 N139Q133-Q137 WeakPolarHBondContact O-CB 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.33Å; Q133-Q137 PolarHBondContact O-N 3.16Å; N134-Q137 PolarHBondContact O-N 3.23Å; Q137-N139 PolarHBondContact O-N 3.2Å
138G59Low78.2Confident55 Ų5582.7 Ų82.757%0.56744%0.437SS*.Hα-helixtrans-70.9-12.8179.500000114.6N134 K140N134-G138 WeakPolarHBondContact O-CA 3.45Å; N134-G138 PolarHBondContact O-N 3.3Å; G138-K140 PolarHBondContact O-N 3.18Å; G138-K140 VanDerWaalsContact O-N 3.16Å
139N52.7Low78.3Confident118 Ų11886.1 Ų86.163%0.63146%0.458SS*.  trans-83.948.2168.4-99.821.9000111.9Q137 E141Q137-N139 PolarHBondContact O-N 3.2Å; N139-E141 PolarHBondContact O-N 2.86Å
140K53Low78.2Confident178 Ų17885.7 Ų85.777%0.77446%0.455SS*.  trans-65114.7146.5-76.3-175.3179.1179.20104.2G138 Q142G138-K140 PolarHBondContact O-N 3.18Å; G138-K140 VanDerWaalsContact O-N 3.16Å; K140-Q142 VanDerWaalsContact C-N 3.32Å; K140-Q142 PolarHBondContact O-N 3.06Å
141E53.7Low77.9Confident186 Ų18686.1 Ų86.187%0.86946%0.464SS*.  trans-46.1102.8170.2-67.6172.8163.600107.2N139 P143N139-E141 PolarHBondContact O-N 2.86Å; E141-P143 WeakPolarHBondContact O-CD 3.34Å
142Q53.8Low77.9Confident173 Ų17385.2 Ų85.281%0.80846%0.463SS*.  trans-66.3126.4172.9-72.7-165.45.200105.1K140 M144K140-Q142 VanDerWaalsContact C-N 3.32Å; K140-Q142 PolarHBondContact O-N 3.06Å; Q142-M144 PolarHBondContact O-N 2.91Å; Q142-M144 VanDerWaalsContact O-N 3.14Å
143P59.2Low77.8Confident90 Ų9092 Ų9258%0.58449%0.49SS*.  trans-53.9126179.220.7-32.3000108.9E141 C145 V146E141-P143 WeakPolarHBondContact O-CD 3.34Å; P143-C145 PolarHBondContact O-N 2.93Å; P143-C145 VanDerWaalsContact O-N 3.1Å; P143-V146 HydrophobicContact CB-CG2 4.03Å; P143-V146 HydrophobicContact CG-CG2 3.42Å; P143-V146 VanDerWaalsContact CG-CG2 3.42Å
144M65.3Low77.8Confident173 Ų17396.5 Ų96.585%0.85251%0.508SS*.SBendtrans-57.7-26-178.7-70.7-170.8165.700112.4Q142Q142-M144 PolarHBondContact O-N 2.91Å; Q142-M144 VanDerWaalsContact O-N 3.14Å
145C80.3Confident78Confident33 Ų3394.6 Ų94.622%0.22350%0.496CS..  trans-144.4125.8177.1-174.40000108.8P143 L201 N204P143-C145 PolarHBondContact O-N 2.93Å; P143-C145 VanDerWaalsContact O-N 3.1Å; C145-L201 HydrophobicContact CB-CD2 4.19Å; C145-N204 HydrophobicContact CB-CB 4.08Å
146V88.6Confident78.3Confident102 Ų10292.7 Ų92.762%0.61848%0.483SS*.  trans-110.8123.8170.9-1790000107.3P143 P148P143-V146 HydrophobicContact CB-CG2 4.03Å; P143-V146 HydrophobicContact CG-CG2 3.42Å; P143-V146 VanDerWaalsContact CG-CG2 3.42Å; V146-P148 WeakPolarHBondContact O-CD 3.47Å
147I93.9Very high78.6Confident45 Ų4597.2 Ų97.223%0.23150%0.503CS..  trans-110107.3179.6-56.2-179.5000107.5F196 S200 K211I147-F196 HydrophobicContact CD1-CE1 3.89Å; I147-F196 HydrophobicContact CG2-CE1 3.72Å; I147-F196 HydrophobicContact CG2-CZ 4.03Å; I147-S200 VanDerWaalsContact CD1-OG 3.28Å; I147-S200 WeakPolarHBondContact CD1-OG 3.38Å; I147-K211 HydrophobicContact CG2-CD 4.23Å; I147-K211 HydrophobicContact CG2-CG 4.04Å
148P93.6Very high79.4Confident37 Ų3797 Ų9724%0.2450%0.502CS..  trans-61.3143.8172.8-21.133.5000111.2V146 I150 L159 F209 F210 K211V146-P148 WeakPolarHBondContact O-CD 3.47Å; P148-I150 HydrophobicContact CB-CD1 4.11Å; P148-L159 HydrophobicContact CB-CD1 4.41Å; P148-F209 VanDerWaalsContact CD-O 3.3Å; P148-F209 WeakPolarHBondContact CD-O 3.35Å; P148-F210 HydrophobicContact CB-CB 4.08Å; P148-F210 HydrophobicContact CG-CB 4.33Å; P148-F210 WeakPolarHBondContact O-CA 3.34Å; P148-F210 WeakPolarHBondContact O-CB 3.35Å; P148-K211 PolarHBondContact O-N 3.17Å
149V94.2Very high81Confident72 Ų7296.3 Ų96.344%0.43649%0.485SS..EExtended strand (participates in β ladder)trans-111.5114.1170-177.90000107.4K211 V213V149-K211 CarbonylContact C-O 3.53Å; V149-K211 WeakPolarHBondContact CA-O 3.49Å; V149-K211 HydrophobicContact CG2-CB 4.3Å; V149-V213 HydrophobicContact CG1-CG1 3.93Å; V149-V213 HydrophobicContact CG1-CG2 3.96Å
150I92.6Very high82.9Confident0 Ų091 Ų910%046%0.458CS..EExtended strand (participates in β ladder)trans-82.1136.4-172.7-50.5-48.8000110.2P148 S152 E155 E156 L159 F210 K211P148-I150 HydrophobicContact CB-CD1 4.11Å; I150-S152 WeakPolarHBondContact CG2-O 3.35Å; I150-E155 HydrophobicContact CD1-CG 4.07Å; I150-E155 HydrophobicContact CG2-CB 4.06Å; I150-E155 HydrophobicContact CG2-CG 4.24Å; I150-E156 HydrophobicContact CG2-CB 4.17Å; I150-L159 HydrophobicContact CD1-CD1 3.15Å; I150-L159 HydrophobicContact CG1-CD1 4.35Å; I150-F210 HydrophobicContact CD1-CB 4.31Å; I150-F210 HydrophobicContact CD1-CD2 4.05Å; I150-F210 HydrophobicContact CD1-CG 4.27Å; I150-F210 HydrophobicContact CG1-CB 4.34Å; I150-F210 HydrophobicContact CG1-CD2 3.38Å; I150-F210 HydrophobicContact CG1-CE2 3.76Å; I150-F210 HydrophobicContact CG1-CG 4.07Å; I150-K211 PolarHBondContact N-O 3.32Å
151T87.6Confident84.7Confident100 Ų10089.3 Ų89.361%0.61345%0.452SS*.  trans-121.9-0.6-178.859.70000113.3E155T151-E155 PolarHBondContact N-OE2 3.4Å; T151-E155 PolarHBondContact OG1-OE2 2.9Å
152S90.8Very high86.5Confident46 Ų4685 Ų8532%0.32244%0.442SS..SBendtrans-151.8150.6174.273.90000112.7I150 K154 E155 E156I150-S152 WeakPolarHBondContact CG2-O 3.35Å; S152-K154 PolarHBondContact O-N 2.84Å; S152-E155 WeakPolarHBondContact O-CB 3.33Å; S152-E155 PolarHBondContact O-N 3.32Å; S152-E155 WeakPolarHBondContact OG-CB 3.33Å; S152-E155 PolarHBondContact OG-N 3.33Å; S152-E156 PolarHBondContact O-N 3.48Å
153Y89.9Confident88.2Confident142 Ų14277.7 Ų77.756%0.55741%0.411SS*.Hα-helixtrans-60.3-31.1174.2-66-72.5000113.3E156 E157 I214Y153-E156 WeakPolarHBondContact O-CB 3.44Å; Y153-E156 PolarHBondContact O-N 3.41Å; Y153-E157 PolarHBondContact O-N 3.33Å; Y153-I214 HydrophobicContact CD2-CD1 4.24Å; Y153-I214 HydrophobicContact CE2-CD1 4.22Å; Y153-I214 HydrophobicContact CG-CD1 4.4Å
154K91.5Very high89.5Confident160 Ų16078.7 Ų78.770%0.69642%0.42SS*.Hα-helixtrans-65.7-39.3176.8-69.7-174.8178.1-178.70112.1S152 E157 Q158S152-K154 PolarHBondContact O-N 2.84Å; K154-E157 PolarHBondContact O-N 3.02Å; K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.23Å
155E91.6Very high90.8Very high59 Ų5974.2 Ų74.228%0.27640%0.396SS..Hα-helixtrans-67.4-39.4176.7-176.2-173.5-168.400111.1I150 T151 S152 Q158 L159I150-E155 HydrophobicContact CD1-CG 4.07Å; I150-E155 HydrophobicContact CG2-CB 4.06Å; I150-E155 HydrophobicContact CG2-CG 4.24Å; T151-E155 PolarHBondContact N-OE2 3.4Å; T151-E155 PolarHBondContact OG1-OE2 2.9Å; S152-E155 WeakPolarHBondContact O-CB 3.33Å; S152-E155 PolarHBondContact O-N 3.32Å; S152-E155 WeakPolarHBondContact OG-CB 3.33Å; S152-E155 PolarHBondContact OG-N 3.33Å; E155-Q158 PolarHBondContact O-N 3.06Å; E155-L159 HydrophobicContact CG-CD1 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.97Å
156E91.2Very high91.5Very high23 Ų2372.6 Ų72.611%0.10739%0.385CS..Hα-helixtrans-56.7-54.4171.4176.8-179.6175.800111.5I150 S152 Y153 Q158 L159 V160 K169 F210 Y224I150-E156 HydrophobicContact CG2-CB 4.17Å; S152-E156 PolarHBondContact O-N 3.48Å; Y153-E156 WeakPolarHBondContact O-CB 3.44Å; Y153-E156 PolarHBondContact O-N 3.41Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.22Å; E156-L159 PolarHBondContact O-N 2.91Å; E156-V160 HydrophobicContact CG-CG2 4.39Å; E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.88Å; E156-K169 HydrophobicContact CG-CD 4.5Å; E156-K169 WeakPolarHBondContact OE1-CE 3.44Å; E156-K169 IonicContact OE1-NZ 2.77Å; E156-K169 PolarHBondContact OE1-NZ 3.44Å; E156-K169 IonicContact OE2-NZ 2.64Å; E156-K169 PolarHBondContact OE2-NZ 3.4Å; E156-F210 HydrophobicContact CG-CE2 4.32Å; E156-F210 HydrophobicContact CG-CZ 4.15Å; E156-Y224 PolarHBondContact OE1-OH 3.01Å
157E92Very high91.9Very high116 Ų11667.9 Ų67.954%0.54236%0.356SS..Hα-helixtrans-58.6-43.6-179.1-74.5-179.8172.900111.4Y153 K154 V160 Q161Y153-E157 PolarHBondContact O-N 3.33Å; K154-E157 PolarHBondContact O-N 3.02Å; E157-V160 PolarHBondContact O-N 2.8Å; E157-Q161 VanDerWaalsContact O-CB 3.27Å; E157-Q161 WeakPolarHBondContact O-CB 3.43Å; E157-Q161 WeakPolarHBondContact O-CG 3.35Å; E157-Q161 PolarHBondContact O-N 2.96Å
158Q92.8Very high92Very high128 Ų12865.7 Ų65.760%0.59835%0.345SS*.Hα-helixtrans-61.5-45.2177.9-76.7177.9-0.900112.4K154 E155 E156 S162K154-Q158 WeakPolarHBondContact O-CB 3.41Å; K154-Q158 VanDerWaalsContact O-CG 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.23Å; E155-Q158 PolarHBondContact O-N 3.06Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.22Å; Q158-S162 WeakPolarHBondContact O-CB 3.37Å; Q158-S162 PolarHBondContact O-N 2.87Å; Q158-S162 PolarHBondContact O-OG 2.76Å
159L92.1Very high92.2Very high41 Ų4164.5 Ų64.522%0.21534%0.336CS..Hα-helixtrans-66.5-41.1178.8-75170.7000112P148 I150 E155 E156 S163 F210P148-L159 HydrophobicContact CB-CD1 4.41Å; I150-L159 HydrophobicContact CD1-CD1 3.15Å; I150-L159 HydrophobicContact CG1-CD1 4.35Å; E155-L159 HydrophobicContact CG-CD1 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.49Å; E155-L159 PolarHBondContact O-N 2.97Å; E156-L159 PolarHBondContact O-N 2.91Å; L159-S163 WeakPolarHBondContact O-CB 3.34Å; L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.13Å; L159-F210 HydrophobicContact CB-CE1 4.3Å; L159-F210 HydrophobicContact CD1-CD1 4.45Å
160V92.8Very high92.3Very high8 Ų861.1 Ų61.15%0.04832%0.315CS..Hα-helixtrans-65.9-43.3178.2171.40000111E156 E157 V167 F210 Y224 G227E156-V160 HydrophobicContact CG-CG2 4.39Å; E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.88Å; E157-V160 PolarHBondContact O-N 2.8Å; V160-V167 HydrophobicContact CG2-CG1 4.42Å; V160-F210 HydrophobicContact CG2-CE1 4.24Å; V160-F210 HydrophobicContact CG2-CZ 4.04Å; V160-Y224 HydrophobicContact CB-CD1 4.47Å; V160-Y224 HydrophobicContact CG1-CD1 3.62Å; V160-Y224 HydrophobicContact CG1-CE1 4.27Å; V160-Y224 HydrophobicContact CG1-CG 4.05Å; V160-Y224 HydrophobicContact CG2-CD1 3.96Å; V160-Y224 HydrophobicContact CG2-CD2 4.31Å; V160-Y224 HydrophobicContact CG2-CE1 4.05Å; V160-Y224 HydrophobicContact CG2-CE2 4.44Å; V160-Y224 HydrophobicContact CG2-CG 4.11Å; V160-G227 WeakPolarHBondContact O-CA 3.37Å
161Q91.6Very high92.4Very high142 Ų14261.8 Ų61.866%0.66432%0.319SS*.Hα-helixtrans-76.2-35.7-177.3-71.1177.50.800113.8E157E157-Q161 VanDerWaalsContact O-CB 3.27Å; E157-Q161 WeakPolarHBondContact O-CB 3.43Å; E157-Q161 WeakPolarHBondContact O-CG 3.35Å; E157-Q161 PolarHBondContact O-N 2.96Å
162S90.6Very high92.6Very high94 Ų9459.9 Ų59.966%0.65730%0.301SS*.Hα-helixtrans-83.3-17.9-179.663.70000113.5Q158 S164Q158-S162 WeakPolarHBondContact O-CB 3.37Å; Q158-S162 PolarHBondContact O-N 2.87Å; Q158-S162 PolarHBondContact O-OG 2.76Å; S162-S164 PolarHBondContact O-N 3.05Å
163S89.2Confident92.4Very high21 Ų2158.7 Ų58.715%0.14729%0.291CS..  trans-72.4124.2-179.4-179.60000111.7L159 K165L159-S163 WeakPolarHBondContact O-CB 3.34Å; L159-S163 PolarHBondContact O-N 3.1Å; L159-S163 VanDerWaalsContact O-N 3.13Å; S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.84Å; S163-K165 VanDerWaalsContact OG-N 3.08Å; S163-K165 PolarHBondContact OG-O 3.04Å
164S88.3Confident91.9Very high111 Ų11159.5 Ų59.578%0.77629%0.293SS*.SBendtrans-77.2-13.9166.557.20000113.1S162S162-S164 PolarHBondContact O-N 3.05Å
165K91.8Very high91.3Very high78 Ų7857 Ų5734%0.33930%0.296SS..SBendtrans-95.1151.4178.7-60.5-176.2-171.2-172.20110.7S163 S205S163-K165 VanDerWaalsContact C-N 3.26Å; S163-K165 PolarHBondContact OG-N 2.84Å; S163-K165 VanDerWaalsContact OG-N 3.08Å; S163-K165 PolarHBondContact OG-O 3.04Å; K165-S205 WeakPolarHBondContact CE-O 3.03Å; K165-S205 PolarHBondContact NZ-O 3.15Å
166P95Very high90.5Very high0 Ų055.4 Ų55.40%029%0.289CS..  trans-54.8153.1161.525-34.1000110.6R206 V207 L208 Y224 T263P166-R206 WeakPolarHBondContact CD-O 3.43Å; P166-V207 HydrophobicContact CG-CG2 4.04Å; P166-V207 WeakPolarHBondContact O-CA 3.44Å; P166-L208 PolarHBondContact O-N 2.72Å; P166-Y224 WeakPolarHBondContact CA-O 3.5Å; P166-T263 WeakPolarHBondContact CB-O 3.06Å
167V96.1Very high89Confident2 Ų260 Ų601%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-126.6136.3-171.6179.70000110V160 L208 F210 Y224V160-V167 HydrophobicContact CG2-CG1 4.42Å; V167-L208 CarbonylContact C-O 3.57Å; V167-L208 VanDerWaalsContact CA-O 3.25Å; V167-L208 WeakPolarHBondContact CA-O 3.28Å; V167-L208 HydrophobicContact CG2-CB 4.24Å; V167-L208 HydrophobicContact CG2-CD2 4.26Å; V167-F210 HydrophobicContact CG1-CD1 3.65Å; V167-F210 HydrophobicContact CG1-CE1 3.09Å; V167-F210 HydrophobicContact CG1-CZ 3.9Å; V167-Y224 HydrophobicContact CB-CD2 4.15Å; V167-Y224 HydrophobicContact CB-CG 4.46Å; V167-Y224 HydrophobicContact CG1-CD2 4.09Å; V167-Y224 PolarHBondContact N-O 3.43Å; V167-Y224 PolarHBondContact O-N 3.2Å
168V97.5Very high87.6Confident0 Ų060.4 Ų60.40%031%0.314CS..EExtended strand (participates in β ladder)trans-121.5121.3170.7177.60000109.2V207 L208 F209 F210 W221 F223 T260 T263V168-V207 HydrophobicContact CB-CG1 4.17Å; V168-V207 HydrophobicContact CG2-CG1 3.66Å; V168-L208 PolarHBondContact N-O 3.34Å; V168-F209 HydrophobicContact CB-CD1 3.7Å; V168-F209 HydrophobicContact CB-CE1 3.66Å; V168-F209 HydrophobicContact CB-CG 4.49Å; V168-F209 HydrophobicContact CB-CZ 4.44Å; V168-F209 HydrophobicContact CG1-CD1 3.93Å; V168-F209 HydrophobicContact CG1-CE1 3.83Å; V168-F209 HydrophobicContact CG2-CE1 4.09Å; V168-F209 HydrophobicContact CG2-CZ 4.49Å; V168-F209 WeakPolarHBondContact O-CA 3.49Å; V168-F210 PolarHBondContact O-N 3.23Å; V168-F210 VanDerWaalsContact O-N 3.1Å; V168-W221 HydrophobicContact CG1-CE3 3.77Å; V168-W221 HydrophobicContact CG1-CZ3 3.89Å; V168-F223 HydrophobicContact CG1-CD1 4.32Å; V168-F223 HydrophobicContact CG1-CE1 4.04Å; V168-F223 HydrophobicContact CG2-CD1 3.89Å; V168-F223 HydrophobicContact CG2-CE1 4.19Å; V168-T260 HydrophobicContact CG2-CG2 4.44Å; V168-T263 HydrophobicContact CG2-CG2 4.46Å
169K96.6Very high86Confident12 Ų1262 Ų625%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-108.1129.2178.1176.5175.692.5154.40109.6E156 F210 D212 W221 S222 Y224E156-K169 HydrophobicContact CG-CD 4.5Å; E156-K169 WeakPolarHBondContact OE1-CE 3.44Å; E156-K169 IonicContact OE1-NZ 2.77Å; E156-K169 PolarHBondContact OE1-NZ 3.44Å; E156-K169 IonicContact OE2-NZ 2.64Å; E156-K169 PolarHBondContact OE2-NZ 3.4Å; K169-F210 WeakPolarHBondContact CA-O 3.46Å; K169-F210 HydrophobicContact CB-CD2 4.03Å; K169-F210 HydrophobicContact CB-CE2 3.6Å; K169-F210 HydrophobicContact CB-CZ 3.92Å; K169-F210 HydrophobicContact CD-CD2 4.12Å; K169-F210 HydrophobicContact CD-CE2 3.27Å; K169-F210 HydrophobicContact CD-CZ 3.95Å; K169-F210 HydrophobicContact CG-CD2 3.76Å; K169-F210 HydrophobicContact CG-CE2 3.35Å; K169-F210 HydrophobicContact CG-CZ 4.14Å; K169-D212 HydrophobicContact CD-CB 3.94Å; K169-D212 HydrophobicContact CG-CB 4.08Å; K169-D212 IonicContact NZ-OD2 3.99Å; K169-D212 PolarHBondContact NZ-OD2 2.96Å; K169-W221 WeakPolarHBondContact O-CA 3.38Å; K169-S222 PolarHBondContact N-O 3.13Å; K169-S222 PolarHBondContact O-N 3.25Å; K169-Y224 HydrophobicContact CB-CE2 3.99Å; K169-Y224 WeakPolarHBondContact CE-OH 3.39Å
170L97.2Very high84.4Confident0 Ų060.6 Ų60.60%031%0.31CS..EExtended strand (participates in β ladder)trans-106.1113.4163.8175.861.7000109.5Y172 I193 F196 F210 K211 D212 W221L170-Y172 HydrophobicContact CD2-CD1 4.27Å; L170-Y172 HydrophobicContact CG-CD1 4.17Å; L170-I193 HydrophobicContact CD2-CG1 4.35Å; L170-F196 HydrophobicContact CB-CB 4.48Å; L170-F196 HydrophobicContact CB-CD2 3.33Å; L170-F196 HydrophobicContact CB-CE2 3.57Å; L170-F196 HydrophobicContact CB-CG 3.94Å; L170-F196 HydrophobicContact CB-CZ 4.36Å; L170-F196 HydrophobicContact CD2-CB 3.63Å; L170-F196 HydrophobicContact CD2-CD2 4.09Å; L170-F196 HydrophobicContact CD2-CG 3.84Å; L170-F196 HydrophobicContact CG-CD2 4.33Å; L170-F210 PolarHBondContact N-O 3.45Å; L170-K211 CarbonylContact O-C 3.53Å; L170-K211 WeakPolarHBondContact O-CA 3.39Å; L170-D212 PolarHBondContact O-N 2.83Å; L170-W221 HydrophobicContact CD1-CD2 4.05Å; L170-W221 HydrophobicContact CD1-CG 4.17Å; L170-W221 HydrophobicContact CD1-CZ2 4.25Å
171L94.6Very high83Confident15 Ų1563.7 Ų63.78%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-86.9125.2165.1-176167.2000108.2D212 E217 C219 C220L171-D212 VanDerWaalsContact CA-O 3.29Å; L171-D212 WeakPolarHBondContact CA-O 3.37Å; L171-D212 HydrophobicContact CB-CB 4.12Å; L171-D212 HydrophobicContact CG-CB 4.36Å; L171-E217 HydrophobicContact CD1-CB 4.46Å; L171-E217 HydrophobicContact CD2-CB 3.93Å; L171-E217 WeakPolarHBondContact CD2-O 3.29Å; L171-C219 VanDerWaalsContact O-CA 3.28Å; L171-C219 WeakPolarHBondContact O-CA 3.08Å; L171-C220 HydrophobicContact CB-CB 4.32Å; L171-C220 WeakPolarHBondContact CB-O 3.4Å; L171-C220 PolarHBondContact N-O 3.08Å; L171-C220 PolarHBondContact O-N 2.97Å
172Y91.4Very high82.2Confident59 Ų5959.1 Ų59.123%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-141.6129.3170.369.9-79.1000110.6L170 I193 K211 D212 V213 I218L170-Y172 HydrophobicContact CD2-CD1 4.27Å; L170-Y172 HydrophobicContact CG-CD1 4.17Å; Y172-I193 HydrophobicContact CD2-CD1 4.17Å; Y172-K211 HydrophobicContact CE1-CB 3.94Å; Y172-K211 HydrophobicContact CE1-CD 3.81Å; Y172-K211 HydrophobicContact CE1-CG 3.9Å; Y172-D212 PolarHBondContact N-O 2.91Å; Y172-V213 HydrophobicContact CE1-CG1 4.15Å; Y172-V213 HydrophobicContact CE2-CG1 4.49Å; Y172-I218 CarbonylContact C-O 3.52Å; Y172-I218 WeakPolarHBondContact CA-O 3.32Å
173N87.4Confident81.8Confident22 Ų2259.4 Ų59.412%0.11831%0.305CS..  trans-129.689.7-178.5-170-21.2000110S175 N176 Y181 G215 E217 I218N173-S175 PolarHBondContact O-N 3.01Å; N173-S175 PolarHBondContact OD1-N 3.37Å; N173-S175 PolarHBondContact OD1-OG 3.25Å; N173-N176 HydrophobicContact CB-CB 4.13Å; N173-N176 PolarHBondContact O-N 3.39Å; N173-N176 PolarHBondContact OD1-N 2.99Å; N173-Y181 PolarHBondContact O-OH 2.65Å; N173-G215 PolarHBondContact ND2-O 2.91Å; N173-E217 VanDerWaalsContact CB-O 3.32Å; N173-E217 WeakPolarHBondContact CB-O 3.35Å; N173-I218 PolarHBondContact N-O 3.42Å
174R79.1Confident81.7Confident159 Ų15962.3 Ų62.360%0.632%0.319SS*.THydrogen-bonded Turntrans-66-26.2178.7-165178.3-167.8179.99.2112.7N176 Y181 D186R174-N176 VanDerWaalsContact C-N 3.33Å; R174-Y181 PolarHBondContact O-OH 3.2Å; R174-D186 IonicContact CZ-OD1 2.7Å; R174-D186 IonicContact NE-OD1 3.75Å; R174-D186 IonicContact NH2-OD1 2.77Å; R174-D186 PolarHBondContact NH2-OD1 2.77Å; R174-D186 IonicContact NH2-OD2 3.8Å
175S77.6Confident81.7Confident107 Ų10757 Ų5775%0.74828%0.282SS*.THydrogen-bonded Turntrans-77.4-18.2179380000113.6N173 N177N173-S175 PolarHBondContact O-N 3.01Å; N173-S175 PolarHBondContact OD1-N 3.37Å; N173-S175 PolarHBondContact OD1-OG 3.25Å; S175-N177 PolarHBondContact O-N 3.5Å
176N74.9Confident81.5Confident26 Ų2655.4 Ų55.414%0.13928%0.277CS..  trans-72.896178-169-5.6000109.9N173 R174 K178 Y181 D216 I218N173-N176 HydrophobicContact CB-CB 4.13Å; N173-N176 PolarHBondContact O-N 3.39Å; N173-N176 PolarHBondContact OD1-N 2.99Å; R174-N176 VanDerWaalsContact C-N 3.33Å; N176-K178 VanDerWaalsContact C-N 3.31Å; N176-K178 PolarHBondContact O-N 3.03Å; N176-K178 VanDerWaalsContact OD1-CB 3.24Å; N176-K178 WeakPolarHBondContact OD1-CB 3.24Å; N176-K178 PolarHBondContact OD1-N 3.44Å; N176-Y181 PolarHBondContact O-OH 3.27Å; N176-D216 PolarHBondContact ND2-O 2.89Å; N176-I218 HydrophobicContact CB-CG1 4.39Å
177N61.5Low81.3Confident119 Ų11959.2 Ų59.264%0.63630%0.297SS*.  trans-97.328.6-176.3-157.93000112.3S175 Y179 Y181S175-N177 PolarHBondContact O-N 3.5Å; N177-Y179 PolarHBondContact O-N 3.04Å; N177-Y181 HydrophobicContact CB-CE2 4.48Å
178K61.3Low81.1Confident125 Ų12559.8 Ų59.854%0.54330%0.3SS..SBendtrans-73.857.7179.8-163.4175.3-178.11790111.4N176N176-K178 VanDerWaalsContact C-N 3.31Å; N176-K178 PolarHBondContact O-N 3.03Å; N176-K178 VanDerWaalsContact OD1-CB 3.24Å; N176-K178 WeakPolarHBondContact OD1-CB 3.24Å; N176-K178 PolarHBondContact OD1-N 3.44Å
179Y58.4Low80.8Confident161 Ų16160 Ų6063%0.63130%0.301SS*.SBendtrans8259.9166.7-41.4-76.9000117.9N177 T247N177-Y179 PolarHBondContact O-N 3.04Å; Y179-T247 PolarHBondContact O-N 3.29Å
180S59.5Low80.7Confident12 Ų1263.6 Ų63.68%0.08432%0.321CS..  trans165.4100150.8-86.70000116.3Q246 T247S180-Q246 WeakPolarHBondContact OG-CA 3.29Å; S180-Q246 WeakPolarHBondContact OG-CB 3.35Å; S180-T247 WeakPolarHBondContact CB-O 3.44Å; S180-T247 PolarHBondContact OG-N 3.36Å; S180-T247 PolarHBondContact OG-O 3.35Å
181Y62.6Low80.6Confident73 Ų7368 Ų6829%0.28634%0.34SS..  trans-120.189153.5-62.5-73.9000107.7N173 R174 N176 N177 I218N173-Y181 PolarHBondContact O-OH 2.65Å; R174-Y181 PolarHBondContact O-OH 3.2Å; N176-Y181 PolarHBondContact O-OH 3.27Å; N177-Y181 HydrophobicContact CB-CE2 4.48Å; Y181-I218 HydrophobicContact CE1-CG2 4.38Å
182T75.9Confident80.7Confident46 Ų4667.2 Ų67.228%0.28234%0.336SS..  trans-71.4155.5153.865.80000107.3N184 S185 D186T182-N184 PolarHBondContact O-N 3.43Å; T182-S185 WeakPolarHBondContact O-CA 3.46Å; T182-S185 WeakPolarHBondContact O-CB 3.1Å; T182-S185 PolarHBondContact O-N 2.86Å; T182-S185 PolarHBondContact OG1-N 3.14Å; T182-S185 PolarHBondContact OG1-OG 3.18Å; T182-S185 VanDerWaalsContact OG1-OG 3.06Å; T182-D186 PolarHBondContact O-N 2.84Å
183S81.8Confident80.8Confident100 Ų10066.1 Ų66.170%0.69933%0.334SS*.Hα-helixtrans-49.8-42.5173.147.20000111.4S185 D186 D187S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.96Å; S183-D186 PolarHBondContact O-N 3.02Å; S183-D186 VanDerWaalsContact O-N 3.16Å; S183-D187 PolarHBondContact O-N 3.04Å
184N87.1Confident81.3Confident82 Ų8270.2 Ų70.244%0.43935%0.352SS..Hα-helixtrans-60.9-32.9175.5-171.689.3000114.1T182 N188T182-N184 PolarHBondContact O-N 3.43Å; N184-N188 PolarHBondContact ND2-ND2 2.9Å; N184-N188 WeakPolarHBondContact O-CB 3.22Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 3.41Å; N184-N188 PolarHBondContact O-ND2 3.19Å
185S87.8Confident82.2Confident0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-69.4-40.5175.7-59.10000111.6T182 S183 N188 L189 V249T182-S185 WeakPolarHBondContact O-CA 3.46Å; T182-S185 WeakPolarHBondContact O-CB 3.1Å; T182-S185 PolarHBondContact O-N 2.86Å; T182-S185 PolarHBondContact OG1-N 3.14Å; T182-S185 PolarHBondContact OG1-OG 3.18Å; T182-S185 VanDerWaalsContact OG1-OG 3.06Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.96Å; S185-N188 PolarHBondContact O-N 3.34Å; S185-L189 WeakPolarHBondContact O-CB 3.26Å; S185-L189 PolarHBondContact O-N 2.68Å; S185-V249 PolarHBondContact OG-N 2.78Å
186D87.3Confident83.1Confident44 Ų4457.6 Ų57.624%0.23529%0.288CS..Hα-helixtrans-67-44.4177.2-168.976.9000110.1R174 T182 S183 N188 L189 L190R174-D186 IonicContact CZ-OD1 2.7Å; R174-D186 IonicContact NE-OD1 3.75Å; R174-D186 IonicContact NH2-OD1 2.77Å; R174-D186 PolarHBondContact NH2-OD1 2.77Å; R174-D186 IonicContact NH2-OD2 3.8Å; T182-D186 PolarHBondContact O-N 2.84Å; S183-D186 PolarHBondContact O-N 3.02Å; S183-D186 VanDerWaalsContact O-N 3.16Å; D186-N188 VanDerWaalsContact C-N 3.33Å; D186-N188 PolarHBondContact O-N 2.82Å; D186-L189 WeakPolarHBondContact O-CB 3.08Å; D186-L189 PolarHBondContact O-N 2.75Å; D186-L189 VanDerWaalsContact O-N 3.14Å; D186-L190 WeakPolarHBondContact O-CG 3.42Å; D186-L190 PolarHBondContact O-N 3.02Å
187D91.2Very high84.1Confident80 Ų8059.1 Ų59.143%0.42830%0.296SS..Hα-helixtrans-56.9-45.1173.9-68-27.1000111.9S183 L190 K191S183-D187 PolarHBondContact O-N 3.04Å; D187-L190 PolarHBondContact O-N 3.27Å; D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.98Å
188N92.7Very high85.8Confident13 Ų1358.4 Ų58.47%0.0728%0.284CS..Hα-helixtrans-67.4-35.6178.2-78.3-14.9000112.6N184 S185 D186 K191 N192 V249 F251N184-N188 PolarHBondContact ND2-ND2 2.9Å; N184-N188 WeakPolarHBondContact O-CB 3.22Å; N184-N188 VanDerWaalsContact O-CG 3.23Å; N184-N188 PolarHBondContact O-N 3.41Å; N184-N188 PolarHBondContact O-ND2 3.19Å; S185-N188 PolarHBondContact O-N 3.34Å; D186-N188 VanDerWaalsContact C-N 3.33Å; D186-N188 PolarHBondContact O-N 2.82Å; N188-K191 PolarHBondContact O-N 3.38Å; N188-N192 PolarHBondContact O-N 3.24Å; N188-N192 PolarHBondContact O-ND2 3.49Å; N188-V249 HydrophobicContact CB-CG1 4.34Å; N188-V249 WeakPolarHBondContact CB-O 3.44Å; N188-V249 PolarHBondContact ND2-O 2.77Å; N188-F251 HydrophobicContact CB-CB 4.06Å
189L91.5Very high87.4Confident4 Ų452.5 Ų52.52%0.02126%0.259CS..Hα-helixtrans-63.9-43.9174.1-175.263.7000110.9S185 D186 K191 N192 I193 C219 V249S185-L189 WeakPolarHBondContact O-CB 3.26Å; S185-L189 PolarHBondContact O-N 2.68Å; D186-L189 WeakPolarHBondContact O-CB 3.08Å; D186-L189 PolarHBondContact O-N 2.75Å; D186-L189 VanDerWaalsContact O-N 3.14Å; L189-K191 PolarHBondContact O-N 3.24Å; L189-N192 WeakPolarHBondContact O-CB 3.34Å; L189-N192 PolarHBondContact O-N 3.14Å; L189-I193 HydrophobicContact CG-CD1 4.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.77Å; L189-C219 HydrophobicContact CD1-CB 3.78Å; L189-V249 HydrophobicContact CB-CG1 4.3Å
190L93.1Very high89.2Confident89 Ų8945 Ų4547%0.46623%0.23SC..Hα-helixtrans-61.9-41.7175.5-67.4175.2000111.8D186 D187 N192 I193 E194D186-L190 WeakPolarHBondContact O-CG 3.42Å; D186-L190 PolarHBondContact O-N 3.02Å; D187-L190 PolarHBondContact O-N 3.27Å; L190-N192 VanDerWaalsContact C-N 3.34Å; L190-N192 PolarHBondContact O-N 3.03Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-E194 WeakPolarHBondContact O-CB 3.2Å; L190-E194 PolarHBondContact O-N 2.93Å
191K95.4Very high90.8Very high91 Ų9149.6 Ų49.640%0.39625%0.253SS..Hα-helixtrans-60.8-39.3173.9-71.6172.2-172.4170.10112.9D187 N188 L189 E194 L195 F251D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.98Å; N188-K191 PolarHBondContact O-N 3.38Å; L189-K191 PolarHBondContact O-N 3.24Å; K191-E194 PolarHBondContact O-N 3.17Å; K191-L195 VanDerWaalsContact O-CB 3.29Å; K191-L195 WeakPolarHBondContact O-CB 3.28Å; K191-L195 PolarHBondContact O-N 2.97Å; K191-F251 HydrophobicContact CB-CB 4.44Å; K191-F251 HydrophobicContact CB-CD1 3.85Å; K191-F251 HydrophobicContact CB-CD2 3.75Å; K191-F251 HydrophobicContact CB-CE1 3.94Å; K191-F251 HydrophobicContact CB-CE2 3.86Å; K191-F251 HydrophobicContact CB-CG 3.74Å; K191-F251 HydrophobicContact CB-CZ 3.95Å; K191-F251 HydrophobicContact CD-CD1 3.75Å; K191-F251 HydrophobicContact CD-CE1 4.16Å; K191-F251 HydrophobicContact CD-CG 4.2Å; K191-F251 HydrophobicContact CG-CD1 4.38Å; K191-F251 HydrophobicContact CG-CE1 4.47Å; K191-F251 WeakPolarHBondContact O-CE2 3.5Å
192N96Very high92.2Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-61.9-45173.6-82.3-83.9000111.3N188 L189 L190 L195 F196 W221 C235 E250 I256N188-N192 PolarHBondContact O-N 3.24Å; N188-N192 PolarHBondContact O-ND2 3.49Å; L189-N192 WeakPolarHBondContact O-CB 3.34Å; L189-N192 PolarHBondContact O-N 3.14Å; L190-N192 VanDerWaalsContact C-N 3.34Å; L190-N192 PolarHBondContact O-N 3.03Å; N192-L195 PolarHBondContact O-N 3.46Å; N192-F196 PolarHBondContact O-N 2.98Å; N192-W221 WeakPolarHBondContact O-CZ2 3.22Å; N192-W221 PolarHBondContact OD1-NE1 3.35Å; N192-C235 PolarHBondContact OD1-SG 3.08Å; N192-E250 PolarHBondContact ND2-O 3.1Å; N192-E250 VanDerWaalsContact ND2-O 3.08Å; N192-I256 WeakPolarHBondContact OD1-CD1 3.46Å
193I95.6Very high93Very high36 Ų3649.9 Ų49.919%0.18526%0.262CS..Hα-helixtrans-63.9-45.6178.4-65165.6000110.8L170 Y172 L189 L190 L195 F196 D197L170-I193 HydrophobicContact CD2-CG1 4.35Å; Y172-I193 HydrophobicContact CD2-CD1 4.17Å; L189-I193 HydrophobicContact CG-CD1 4.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.77Å; L190-I193 PolarHBondContact O-N 2.92Å; I193-L195 PolarHBondContact O-N 3.12Å; I193-F196 WeakPolarHBondContact O-CB 3.28Å; I193-F196 PolarHBondContact O-N 3.27Å; I193-D197 PolarHBondContact O-N 3.16Å
194E96.9Very high93.3Very high108 Ų10847.8 Ų47.851%0.50524%0.243SC..Hα-helixtrans-61.6-43.7178.3-168.2-158.7139.700111.6L190 K191 F196 D197 R198L190-E194 WeakPolarHBondContact O-CB 3.2Å; L190-E194 PolarHBondContact O-N 2.93Å; K191-E194 PolarHBondContact O-N 3.17Å; E194-F196 VanDerWaalsContact C-N 3.31Å; E194-F196 PolarHBondContact O-N 3.18Å; E194-D197 PolarHBondContact O-N 3.17Å; E194-R198 WeakPolarHBondContact O-CB 3.4Å; E194-R198 PolarHBondContact O-N 3.3Å; E194-R198 IonicContact OE1-CZ 2.74Å; E194-R198 IonicContact OE1-NH2 2.64Å; E194-R198 PolarHBondContact OE1-NH2 3.09Å
195L97.7Very high93.3Very high1 Ų148 Ų481%0.00525%0.251CS..Hα-helixtrans-61-42.1176.5176.959.1000111.3K191 N192 I193 R198 L199 W221 F251 E253 I256 Y257K191-L195 VanDerWaalsContact O-CB 3.29Å; K191-L195 WeakPolarHBondContact O-CB 3.28Å; K191-L195 PolarHBondContact O-N 2.97Å; N192-L195 PolarHBondContact O-N 3.46Å; I193-L195 PolarHBondContact O-N 3.12Å; L195-R198 PolarHBondContact O-N 3.39Å; L195-L199 HydrophobicContact CD1-CD1 4.03Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CG-CD1 3.98Å; L195-L199 HydrophobicContact CG-CG 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.7Å; L195-W221 HydrophobicContact CB-CZ2 4.47Å; L195-W221 HydrophobicContact CD2-CH2 4.47Å; L195-W221 HydrophobicContact CD2-CZ2 4.37Å; L195-W221 HydrophobicContact CG-CH2 4.18Å; L195-W221 HydrophobicContact CG-CZ2 4.39Å; L195-F251 HydrophobicContact CB-CE2 3.99Å; L195-F251 HydrophobicContact CB-CZ 4.26Å; L195-F251 HydrophobicContact CD2-CE2 3.69Å; L195-F251 HydrophobicContact CD2-CZ 4Å; L195-F251 HydrophobicContact CG-CE2 4.48Å; L195-E253 HydrophobicContact CD2-CG 4.27Å; L195-I256 HydrophobicContact CD2-CB 3.94Å; L195-I256 HydrophobicContact CD2-CD1 4.04Å; L195-I256 HydrophobicContact CD2-CG2 3.64Å; L195-I256 HydrophobicContact CG-CG2 4.39Å; L195-Y257 HydrophobicContact CD1-CD2 4.12Å; L195-Y257 HydrophobicContact CD1-CE1 4.15Å; L195-Y257 HydrophobicContact CD1-CE2 3.32Å; L195-Y257 VanDerWaalsContact CD1-OH 3.25Å; L195-Y257 WeakPolarHBondContact CD1-OH 3.38Å; L195-Y257 HydrophobicContact CD2-CE2 4.33Å; L195-Y257 HydrophobicContact CG-CE2 4.48Å
196F97.6Very high93.5Very high0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-60.8-46.6176.5179-87.2000111.7I147 L170 N192 I193 E194 R198 L199 S200 F209 F210 K211 W221I147-F196 HydrophobicContact CD1-CE1 3.89Å; I147-F196 HydrophobicContact CG2-CE1 3.72Å; I147-F196 HydrophobicContact CG2-CZ 4.03Å; L170-F196 HydrophobicContact CB-CB 4.48Å; L170-F196 HydrophobicContact CB-CD2 3.33Å; L170-F196 HydrophobicContact CB-CE2 3.57Å; L170-F196 HydrophobicContact CB-CG 3.94Å; L170-F196 HydrophobicContact CB-CZ 4.36Å; L170-F196 HydrophobicContact CD2-CB 3.63Å; L170-F196 HydrophobicContact CD2-CD2 4.09Å; L170-F196 HydrophobicContact CD2-CG 3.84Å; L170-F196 HydrophobicContact CG-CD2 4.33Å; N192-F196 PolarHBondContact O-N 2.98Å; I193-F196 WeakPolarHBondContact O-CB 3.28Å; I193-F196 PolarHBondContact O-N 3.27Å; E194-F196 VanDerWaalsContact C-N 3.31Å; E194-F196 PolarHBondContact O-N 3.18Å; F196-R198 VanDerWaalsContact C-N 3.33Å; F196-R198 PolarHBondContact O-N 2.8Å; F196-L199 PolarHBondContact O-N 2.77Å; F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 2.77Å; F196-F209 HydrophobicContact CD2-CD1 4.17Å; F196-F209 HydrophobicContact CE1-CB 4.32Å; F196-F209 HydrophobicContact CE2-CB 4.17Å; F196-F209 AromaticContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CG 4.46Å; F196-F209 HydrophobicContact CZ-CB 3.69Å; F196-F209 HydrophobicContact CZ-CD1 4.1Å; F196-F209 HydrophobicContact CZ-CG 4.39Å; F196-F210 WeakPolarHBondContact CZ-O 3.5Å; F196-K211 HydrophobicContact CD1-CG 4.35Å; F196-K211 HydrophobicContact CE1-CD 4.14Å; F196-K211 HydrophobicContact CE1-CG 3.72Å; F196-K211 HydrophobicContact CZ-CG 3.95Å; F196-W221 VanDerWaalsContact CA-CH2 3.46Å; F196-W221 HydrophobicContact CB-CH2 3.51Å; F196-W221 HydrophobicContact CB-CZ2 4.01Å; F196-W221 HydrophobicContact CB-CZ3 4.2Å; F196-W221 HydrophobicContact CD2-CE3 4.44Å; F196-W221 AromaticContact CD2-CH2 3.97Å; F196-W221 HydrophobicContact CD2-CH2 3.97Å; F196-W221 AromaticContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CG-CH2 4.24Å; F196-W221 HydrophobicContact CG-CZ3 4.47Å
197D95.8Very high93.8Very high57 Ų5750.6 Ų50.631%0.30526%0.257SS..Hα-helixtrans-62.6-42.6178.8-68.6-16.7000110.2I193 E194 L199 S200 L201 K211I193-D197 PolarHBondContact O-N 3.16Å; E194-D197 PolarHBondContact O-N 3.17Å; D197-L199 PolarHBondContact O-N 3.41Å; D197-S200 PolarHBondContact O-N 3.12Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-L201 WeakPolarHBondContact O-CG 3.48Å; D197-L201 PolarHBondContact O-N 2.98Å; D197-K211 WeakPolarHBondContact OD1-CE 3.36Å; D197-K211 IonicContact OD1-NZ 3.75Å; D197-K211 PolarHBondContact OD1-NZ 3.22Å; D197-K211 IonicContact OD2-NZ 3.04Å
198R95.6Very high94Very high104 Ų10448.8 Ų48.839%0.39225%0.248SC..Hα-helixtrans-61.1-45.1176.1-165.6-171-56160.54.2112.9E194 L195 F196 S202 Y257E194-R198 WeakPolarHBondContact O-CB 3.4Å; E194-R198 PolarHBondContact O-N 3.3Å; E194-R198 IonicContact OE1-CZ 2.74Å; E194-R198 IonicContact OE1-NH2 2.64Å; E194-R198 PolarHBondContact OE1-NH2 3.09Å; L195-R198 PolarHBondContact O-N 3.39Å; F196-R198 VanDerWaalsContact C-N 3.33Å; F196-R198 PolarHBondContact O-N 2.8Å; R198-S202 WeakPolarHBondContact O-CB 3.48Å; R198-S202 PolarHBondContact O-N 3.33Å; R198-S202 PolarHBondContact O-OG 3.45Å; R198-Y257 PolarHBondContact NH1-OH 2.85Å
199L96.3Very high94.2Very high2 Ų248.4 Ų48.41%0.0125%0.245CC..Hα-helixtrans-66.4-42.2177.3-72.9174.2000111.3L195 F196 D197 L201 S202 F203 F209 W221 I256 Y257 T260L195-L199 HydrophobicContact CD1-CD1 4.03Å; L195-L199 HydrophobicContact CD1-CG 4.01Å; L195-L199 HydrophobicContact CG-CD1 3.98Å; L195-L199 HydrophobicContact CG-CG 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.3Å; L195-L199 VanDerWaalsContact O-CG 3.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.7Å; F196-L199 PolarHBondContact O-N 2.77Å; D197-L199 PolarHBondContact O-N 3.41Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.27Å; L199-S202 PolarHBondContact O-N 3.43Å; L199-F203 HydrophobicContact CD2-CD2 4.08Å; L199-F203 HydrophobicContact CD2-CE2 3.78Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.4Å; L199-F209 HydrophobicContact CB-CE1 3.8Å; L199-F209 HydrophobicContact CB-CZ 3.93Å; L199-W221 HydrophobicContact CD1-CH2 4.1Å; L199-W221 HydrophobicContact CD1-CZ3 4.05Å; L199-I256 HydrophobicContact CD1-CG2 4.18Å; L199-Y257 HydrophobicContact CD2-CD1 3.84Å; L199-Y257 HydrophobicContact CD2-CE1 3.53Å; L199-Y257 HydrophobicContact CG-CE1 4.41Å; L199-T260 HydrophobicContact CD1-CG2 4.29Å; L199-T260 HydrophobicContact CD2-CG2 4.23Å
200S95.7Very high94.4Very high2 Ų248.2 Ų48.21%0.01424%0.244CC..Hα-helixtrans-61.1-41.1178.676.30000111.9I147 F196 D197 N204I147-S200 VanDerWaalsContact CD1-OG 3.28Å; I147-S200 WeakPolarHBondContact CD1-OG 3.38Å; F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 2.77Å; D197-S200 PolarHBondContact O-N 3.12Å; D197-S200 PolarHBondContact O-OG 3.2Å; S200-N204 VanDerWaalsContact O-CA 3.28Å; S200-N204 WeakPolarHBondContact O-CA 3.4Å; S200-N204 WeakPolarHBondContact O-CB 3.2Å; S200-N204 PolarHBondContact O-N 2.91Å
201L92.6Very high94.5Very high109 Ų10945.1 Ų45.157%0.57123%0.227SC*.Hα-helixtrans-67.2-41.1175.3-69.9172.4000111.9C145 D197 L199 N204C145-L201 HydrophobicContact CB-CD2 4.19Å; D197-L201 WeakPolarHBondContact O-CG 3.48Å; D197-L201 PolarHBondContact O-N 2.98Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.27Å; L201-N204 PolarHBondContact O-ND2 3.19Å
202S92.1Very high94.4Very high82 Ų8240.9 Ų40.957%0.57321%0.209SC*.Hα-helixtrans-71.2-32.9-176.9-56.90000113R198 L199R198-S202 WeakPolarHBondContact O-CB 3.48Å; R198-S202 PolarHBondContact O-N 3.33Å; R198-S202 PolarHBondContact O-OG 3.45Å; L199-S202 PolarHBondContact O-N 3.43Å
203F92.6Very high94Very high44 Ų4443.5 Ų43.519%0.19323%0.225CC..Hα-helixtrans-120.713.1-172.1-60.4-75.6000114.3L199 S205 R206 V207 F209 L261 L264L199-F203 HydrophobicContact CD2-CD2 4.08Å; L199-F203 HydrophobicContact CD2-CE2 3.78Å; L199-F203 WeakPolarHBondContact O-CD2 3.33Å; L199-F203 PolarHBondContact O-N 3.4Å; F203-S205 PolarHBondContact O-N 2.98Å; F203-R206 PolarHBondContact O-N 3.32Å; F203-V207 HydrophobicContact CB-CB 4.28Å; F203-V207 HydrophobicContact CB-CG2 4.11Å; F203-V207 PolarHBondContact O-N 2.93Å; F203-F209 HydrophobicContact CB-CE2 3.87Å; F203-F209 HydrophobicContact CB-CZ 4.15Å; F203-L261 HydrophobicContact CZ-CD2 4.1Å; F203-L264 HydrophobicContact CD1-CD1 4.33Å; F203-L264 HydrophobicContact CE1-CD1 4.06Å
204N87.9Confident93.5Very high55 Ų5544.7 Ų44.729%0.29423%0.231SC..THydrogen-bonded Turntrans-48.7-32.5-176.766.273.3000114.7C145 S200 L201C145-N204 HydrophobicContact CB-CB 4.08Å; S200-N204 VanDerWaalsContact O-CA 3.28Å; S200-N204 WeakPolarHBondContact O-CA 3.4Å; S200-N204 WeakPolarHBondContact O-CB 3.2Å; S200-N204 PolarHBondContact O-N 2.91Å; L201-N204 PolarHBondContact O-ND2 3.19Å
205S87.6Confident92.7Very high86 Ų8639.7 Ų39.760%0.60121%0.208SC*.THydrogen-bonded Turntrans-79.6-24.3-177.2-64.70000112.3K165 F203K165-S205 WeakPolarHBondContact CE-O 3.03Å; K165-S205 PolarHBondContact NZ-O 3.15Å; F203-S205 PolarHBondContact O-N 2.98Å
206R91.8Very high92.1Very high97 Ų9745.3 Ų45.337%0.36624%0.238SC..THydrogen-bonded Turntrans-111.6-30.9-170-61-178.763.2-161.9-1.3113.8P166 F203 L264 E267P166-R206 WeakPolarHBondContact CD-O 3.43Å; F203-R206 PolarHBondContact O-N 3.32Å; R206-L264 HydrophobicContact CB-CD2 4.27Å; R206-E267 WeakPolarHBondContact CB-OE1 3.31Å; R206-E267 VanDerWaalsContact CG-OE1 3.25Å; R206-E267 WeakPolarHBondContact CG-OE1 3.21Å; R206-E267 IonicContact CZ-OE2 2.78Å; R206-E267 IonicContact NE-OE1 3.73Å; R206-E267 PolarHBondContact NE-OE1 2.9Å; R206-E267 VanDerWaalsContact NE-OE1 3.11Å; R206-E267 IonicContact NE-OE2 3.78Å; R206-E267 PolarHBondContact NE-OE2 2.85Å; R206-E267 IonicContact NH2-OE2 2.68Å; R206-E267 PolarHBondContact NH2-OE2 2.98Å
207V94.1Very high91.5Very high2 Ų249.1 Ų49.11%0.01226%0.256CS..SBendtrans-124.2136.8-176.5179.30000108.8P166 V168 F203 F209 L264P166-V207 HydrophobicContact CG-CG2 4.04Å; P166-V207 WeakPolarHBondContact O-CA 3.44Å; V168-V207 HydrophobicContact CB-CG1 4.17Å; V168-V207 HydrophobicContact CG2-CG1 3.66Å; F203-V207 HydrophobicContact CB-CB 4.28Å; F203-V207 HydrophobicContact CB-CG2 4.11Å; F203-V207 PolarHBondContact O-N 2.93Å; V207-F209 HydrophobicContact CB-CD2 4.11Å; V207-F209 HydrophobicContact CB-CE2 3.5Å; V207-F209 HydrophobicContact CB-CZ 4.05Å; V207-F209 HydrophobicContact CG1-CD2 3.93Å; V207-F209 HydrophobicContact CG1-CE1 4.38Å; V207-F209 HydrophobicContact CG1-CE2 3.54Å; V207-F209 HydrophobicContact CG1-CZ 3.78Å; V207-F209 HydrophobicContact CG2-CE2 4.48Å; V207-F209 WeakPolarHBondContact O-CD2 3.41Å; V207-L264 HydrophobicContact CG2-CD2 3.39Å
208L94.8Very high91.2Very high42 Ų4246.9 Ų46.922%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-84.9119.9169.8176.563.3000109.3P166 V167 V168P166-L208 PolarHBondContact O-N 2.72Å; V167-L208 CarbonylContact C-O 3.57Å; V167-L208 VanDerWaalsContact CA-O 3.25Å; V167-L208 WeakPolarHBondContact CA-O 3.28Å; V167-L208 HydrophobicContact CG2-CB 4.24Å; V167-L208 HydrophobicContact CG2-CD2 4.26Å; V168-L208 PolarHBondContact N-O 3.34Å
209F96.7Very high91Very high5 Ų541.9 Ų41.92%0.02223%0.225CC..EExtended strand (participates in β ladder)trans-105.8135.5176.4-71-95.9000110.4P148 V168 F196 L199 F203 V207P148-F209 VanDerWaalsContact CD-O 3.3Å; P148-F209 WeakPolarHBondContact CD-O 3.35Å; V168-F209 HydrophobicContact CB-CD1 3.7Å; V168-F209 HydrophobicContact CB-CE1 3.66Å; V168-F209 HydrophobicContact CB-CG 4.49Å; V168-F209 HydrophobicContact CB-CZ 4.44Å; V168-F209 HydrophobicContact CG1-CD1 3.93Å; V168-F209 HydrophobicContact CG1-CE1 3.83Å; V168-F209 HydrophobicContact CG2-CE1 4.09Å; V168-F209 HydrophobicContact CG2-CZ 4.49Å; V168-F209 WeakPolarHBondContact O-CA 3.49Å; F196-F209 HydrophobicContact CD2-CD1 4.17Å; F196-F209 HydrophobicContact CE1-CB 4.32Å; F196-F209 HydrophobicContact CE2-CB 4.17Å; F196-F209 AromaticContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CD1 3.76Å; F196-F209 HydrophobicContact CE2-CG 4.46Å; F196-F209 HydrophobicContact CZ-CB 3.69Å; F196-F209 HydrophobicContact CZ-CD1 4.1Å; F196-F209 HydrophobicContact CZ-CG 4.39Å; L199-F209 HydrophobicContact CB-CE1 3.8Å; L199-F209 HydrophobicContact CB-CZ 3.93Å; F203-F209 HydrophobicContact CB-CE2 3.87Å; F203-F209 HydrophobicContact CB-CZ 4.15Å; V207-F209 HydrophobicContact CB-CD2 4.11Å; V207-F209 HydrophobicContact CB-CE2 3.5Å; V207-F209 HydrophobicContact CB-CZ 4.05Å; V207-F209 HydrophobicContact CG1-CD2 3.93Å; V207-F209 HydrophobicContact CG1-CE1 4.38Å; V207-F209 HydrophobicContact CG1-CE2 3.54Å; V207-F209 HydrophobicContact CG1-CZ 3.78Å; V207-F209 HydrophobicContact CG2-CE2 4.48Å; V207-F209 WeakPolarHBondContact O-CD2 3.41Å
210F96.3Very high91Very high0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-145.3159.2169.762.6-106.2000113P148 I150 E156 L159 V160 V167 V168 K169 L170 F196P148-F210 HydrophobicContact CB-CB 4.08Å; P148-F210 HydrophobicContact CG-CB 4.33Å; P148-F210 WeakPolarHBondContact O-CA 3.34Å; P148-F210 WeakPolarHBondContact O-CB 3.35Å; I150-F210 HydrophobicContact CD1-CB 4.31Å; I150-F210 HydrophobicContact CD1-CD2 4.05Å; I150-F210 HydrophobicContact CD1-CG 4.27Å; I150-F210 HydrophobicContact CG1-CB 4.34Å; I150-F210 HydrophobicContact CG1-CD2 3.38Å; I150-F210 HydrophobicContact CG1-CE2 3.76Å; I150-F210 HydrophobicContact CG1-CG 4.07Å; E156-F210 HydrophobicContact CG-CE2 4.32Å; E156-F210 HydrophobicContact CG-CZ 4.15Å; L159-F210 HydrophobicContact CB-CE1 4.3Å; L159-F210 HydrophobicContact CD1-CD1 4.45Å; V160-F210 HydrophobicContact CG2-CE1 4.24Å; V160-F210 HydrophobicContact CG2-CZ 4.04Å; V167-F210 HydrophobicContact CG1-CD1 3.65Å; V167-F210 HydrophobicContact CG1-CE1 3.09Å; V167-F210 HydrophobicContact CG1-CZ 3.9Å; V168-F210 PolarHBondContact O-N 3.23Å; V168-F210 VanDerWaalsContact O-N 3.1Å; K169-F210 WeakPolarHBondContact CA-O 3.46Å; K169-F210 HydrophobicContact CB-CD2 4.03Å; K169-F210 HydrophobicContact CB-CE2 3.6Å; K169-F210 HydrophobicContact CB-CZ 3.92Å; K169-F210 HydrophobicContact CD-CD2 4.12Å; K169-F210 HydrophobicContact CD-CE2 3.27Å; K169-F210 HydrophobicContact CD-CZ 3.95Å; K169-F210 HydrophobicContact CG-CD2 3.76Å; K169-F210 HydrophobicContact CG-CE2 3.35Å; K169-F210 HydrophobicContact CG-CZ 4.14Å; L170-F210 PolarHBondContact N-O 3.45Å; F196-F210 WeakPolarHBondContact CZ-O 3.5Å
211K95.8Very high91Very high25 Ų2542 Ų4211%0.10923%0.226CC..EExtended strand (participates in β ladder)trans-106.8138-177.9-76.5176.5-179.7-179.80110.1I147 P148 V149 I150 L170 Y172 F196 D197I147-K211 HydrophobicContact CG2-CD 4.23Å; I147-K211 HydrophobicContact CG2-CG 4.04Å; P148-K211 PolarHBondContact O-N 3.17Å; V149-K211 CarbonylContact C-O 3.53Å; V149-K211 WeakPolarHBondContact CA-O 3.49Å; V149-K211 HydrophobicContact CG2-CB 4.3Å; I150-K211 PolarHBondContact N-O 3.32Å; L170-K211 CarbonylContact O-C 3.53Å; L170-K211 WeakPolarHBondContact O-CA 3.39Å; Y172-K211 HydrophobicContact CE1-CB 3.94Å; Y172-K211 HydrophobicContact CE1-CD 3.81Å; Y172-K211 HydrophobicContact CE1-CG 3.9Å; F196-K211 HydrophobicContact CD1-CG 4.35Å; F196-K211 HydrophobicContact CE1-CD 4.14Å; F196-K211 HydrophobicContact CE1-CG 3.72Å; F196-K211 HydrophobicContact CZ-CG 3.95Å; D197-K211 WeakPolarHBondContact OD1-CE 3.36Å; D197-K211 IonicContact OD1-NZ 3.75Å; D197-K211 PolarHBondContact OD1-NZ 3.22Å; D197-K211 IonicContact OD2-NZ 3.04Å
212D93.6Very high91.2Very high1 Ų137 Ų371%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-117.9121.4176.8176.1-5.4000109.1K169 L170 L171 Y172 I214 G215K169-D212 HydrophobicContact CD-CB 3.94Å; K169-D212 HydrophobicContact CG-CB 4.08Å; K169-D212 IonicContact NZ-OD2 3.99Å; K169-D212 PolarHBondContact NZ-OD2 2.96Å; L170-D212 PolarHBondContact O-N 2.83Å; L171-D212 VanDerWaalsContact CA-O 3.29Å; L171-D212 WeakPolarHBondContact CA-O 3.37Å; L171-D212 HydrophobicContact CB-CB 4.12Å; L171-D212 HydrophobicContact CG-CB 4.36Å; Y172-D212 PolarHBondContact N-O 2.91Å; D212-I214 WeakPolarHBondContact OD1-CG1 3.5Å; D212-I214 PolarHBondContact OD1-N 3Å; D212-G215 PolarHBondContact OD1-N 3.04Å
213V87.9Confident91.5Very high55 Ų5533.1 Ų33.133%0.33317%0.173SC..  trans-113.22.7-176.5-62.80000113V149 Y172V149-V213 HydrophobicContact CG1-CG1 3.93Å; V149-V213 HydrophobicContact CG1-CG2 3.96Å; Y172-V213 HydrophobicContact CE1-CG1 4.15Å; Y172-V213 HydrophobicContact CE2-CG1 4.49Å
214I83.4Confident91.6Very high61 Ų6131.6 Ų31.631%0.31317%0.166SC..SBendtrans-103.9-17.4-173.258.2159.7000113.7Y153 D212Y153-I214 HydrophobicContact CD2-CD1 4.24Å; Y153-I214 HydrophobicContact CE2-CD1 4.22Å; Y153-I214 HydrophobicContact CG-CD1 4.4Å; D212-I214 WeakPolarHBondContact OD1-CG1 3.5Å; D212-I214 PolarHBondContact OD1-N 3Å
215G81.7Confident91.8Very high3 Ų329 Ų293%0.03115%0.153CC..SBendtrans-66.7157.4-176.100000114.6N173 D212 E217N173-G215 PolarHBondContact ND2-O 2.91Å; D212-G215 PolarHBondContact OD1-N 3.04Å; G215-E217 VanDerWaalsContact C-N 3.32Å
216D83.4Confident91.7Very high119 Ų11928.1 Ų28.164%0.63614%0.139SC*.SBendtrans-82.7-6.4179.9-164.737.3000113N176N176-D216 PolarHBondContact ND2-O 2.89Å
217E86.6Confident91.5Very high81 Ų8125 Ų2538%0.37914%0.137SC..SBendtrans-83.5154.5172.7-63.3-137.8159.500111.7L171 N173 G215 C220L171-E217 HydrophobicContact CD1-CB 4.46Å; L171-E217 HydrophobicContact CD2-CB 3.93Å; L171-E217 WeakPolarHBondContact CD2-O 3.29Å; N173-E217 VanDerWaalsContact CB-O 3.32Å; N173-E217 WeakPolarHBondContact CB-O 3.35Å; G215-E217 VanDerWaalsContact C-N 3.32Å; E217-C220 HydrophobicContact CB-CB 4.36Å; E217-C220 WeakPolarHBondContact OE2-CB 3.43Å
218I88.7Confident91.2Very high9 Ų927.6 Ų27.65%0.04615%0.147CC..SBendtrans-76.3-45.8177.6-58.2170.6000110.3Y172 N173 N176 Y181 T236 T247 V249Y172-I218 CarbonylContact C-O 3.52Å; Y172-I218 WeakPolarHBondContact CA-O 3.32Å; N173-I218 PolarHBondContact N-O 3.42Å; N176-I218 HydrophobicContact CB-CG1 4.39Å; Y181-I218 HydrophobicContact CE1-CG2 4.38Å; I218-T236 HydrophobicContact CB-CG2 3.94Å; I218-T236 HydrophobicContact CD1-CG2 4.39Å; I218-T236 HydrophobicContact CG1-CG2 4.49Å; I218-T247 HydrophobicContact CD1-CG2 3.94Å; I218-V249 HydrophobicContact CB-CG2 4.45Å; I218-V249 HydrophobicContact CG2-CG2 3.66Å
219C92.1Very high91.1Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-155122.4178.9-175.10000110.6L171 L189 C235 V249L171-C219 VanDerWaalsContact O-CA 3.28Å; L171-C219 WeakPolarHBondContact O-CA 3.08Å; L189-C219 HydrophobicContact CD1-CB 3.78Å; C219-C235 HydrophobicContact CB-CB 3.88Å; C219-C235 WeakPolarHBondContact O-CB 3.11Å; C219-C235 PolarHBondContact O-N 2.84Å; C219-V249 HydrophobicContact CB-CG1 4.29Å
220C94.5Very high90.9Very high7 Ų728.8 Ų28.85%0.04715%0.15CC..EExtended strand (participates in β ladder)trans-148.4134.5180-177.70000110.6L171 E217L171-C220 HydrophobicContact CB-CB 4.32Å; L171-C220 WeakPolarHBondContact CB-O 3.4Å; L171-C220 PolarHBondContact N-O 3.08Å; L171-C220 PolarHBondContact O-N 2.97Å; E217-C220 HydrophobicContact CB-CB 4.36Å; E217-C220 WeakPolarHBondContact OE2-CB 3.43Å
221W97.6Very high90.8Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-99134.4171.7-67.571.3000109.6V168 K169 L170 N192 L195 F196 L199 F223 E232 V233 C235 I256V168-W221 HydrophobicContact CG1-CE3 3.77Å; V168-W221 HydrophobicContact CG1-CZ3 3.89Å; K169-W221 WeakPolarHBondContact O-CA 3.38Å; L170-W221 HydrophobicContact CD1-CD2 4.05Å; L170-W221 HydrophobicContact CD1-CG 4.17Å; L170-W221 HydrophobicContact CD1-CZ2 4.25Å; N192-W221 WeakPolarHBondContact O-CZ2 3.22Å; N192-W221 PolarHBondContact OD1-NE1 3.35Å; L195-W221 HydrophobicContact CB-CZ2 4.47Å; L195-W221 HydrophobicContact CD2-CH2 4.47Å; L195-W221 HydrophobicContact CD2-CZ2 4.37Å; L195-W221 HydrophobicContact CG-CH2 4.18Å; L195-W221 HydrophobicContact CG-CZ2 4.39Å; F196-W221 VanDerWaalsContact CA-CH2 3.46Å; F196-W221 HydrophobicContact CB-CH2 3.51Å; F196-W221 HydrophobicContact CB-CZ2 4.01Å; F196-W221 HydrophobicContact CB-CZ3 4.2Å; F196-W221 HydrophobicContact CD2-CE3 4.44Å; F196-W221 AromaticContact CD2-CH2 3.97Å; F196-W221 HydrophobicContact CD2-CH2 3.97Å; F196-W221 AromaticContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CD2-CZ3 3.77Å; F196-W221 HydrophobicContact CG-CH2 4.24Å; F196-W221 HydrophobicContact CG-CZ3 4.47Å; L199-W221 HydrophobicContact CD1-CH2 4.1Å; L199-W221 HydrophobicContact CD1-CZ3 4.05Å; W221-F223 HydrophobicContact CB-CE2 3.68Å; W221-F223 HydrophobicContact CB-CZ 3.79Å; W221-F223 HydrophobicContact CE3-CE1 4.49Å; W221-F223 HydrophobicContact CE3-CZ 4.18Å; W221-F223 HydrophobicContact CG-CZ 4.5Å; W221-E232 CarbonylContact O-C 3.56Å; W221-E232 WeakPolarHBondContact O-CA 3.22Å; W221-V233 HydrophobicContact CB-CB 4.28Å; W221-V233 PolarHBondContact N-O 2.87Å; W221-V233 PolarHBondContact O-N 3.37Å; W221-C235 VanDerWaalsContact CD1-SG 3.52Å; W221-I256 HydrophobicContact CD2-CD1 4.37Å; W221-I256 HydrophobicContact CD2-CG1 4.24Å; W221-I256 HydrophobicContact CD2-CG2 3.73Å; W221-I256 HydrophobicContact CE3-CG2 3.64Å; W221-I256 HydrophobicContact CG-CD1 4.44Å; W221-I256 HydrophobicContact CG-CG1 4.2Å; W221-I256 HydrophobicContact CG-CG2 4.46Å; W221-I256 HydrophobicContact CH2-CG2 3.61Å; W221-I256 HydrophobicContact CZ2-CD1 4.14Å; W221-I256 HydrophobicContact CZ2-CG2 3.75Å; W221-I256 HydrophobicContact CZ3-CG2 3.58Å
222S96.9Very high90.7Very high3 Ų328.8 Ų28.82%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-126.2135.9175.7-69.90000110.4K169 K229K169-S222 PolarHBondContact N-O 3.13Å; K169-S222 PolarHBondContact O-N 3.25Å; S222-K229 VanDerWaalsContact OG-CE 3.27Å; S222-K229 WeakPolarHBondContact OG-CE 3.3Å; S222-K229 PolarHBondContact OG-NZ 3.05Å
223F96.8Very high90.8Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-120.1127.9-172.3-59.6-86.4000108.7V168 W221 L230 A231 V233 E259 T263V168-F223 HydrophobicContact CG1-CD1 4.32Å; V168-F223 HydrophobicContact CG1-CE1 4.04Å; V168-F223 HydrophobicContact CG2-CD1 3.89Å; V168-F223 HydrophobicContact CG2-CE1 4.19Å; W221-F223 HydrophobicContact CB-CE2 3.68Å; W221-F223 HydrophobicContact CB-CZ 3.79Å; W221-F223 HydrophobicContact CE3-CE1 4.49Å; W221-F223 HydrophobicContact CE3-CZ 4.18Å; W221-F223 HydrophobicContact CG-CZ 4.5Å; F223-L230 PolarHBondContact O-N 3.34Å; F223-A231 HydrophobicContact CB-CB 4.3Å; F223-A231 HydrophobicContact CD2-CB 4.08Å; F223-A231 PolarHBondContact N-O 3.27Å; F223-A231 PolarHBondContact O-N 3.48Å; F223-V233 HydrophobicContact CE2-CB 4.47Å; F223-V233 HydrophobicContact CE2-CG2 3.89Å; F223-E259 HydrophobicContact CD1-CB 3.85Å; F223-E259 HydrophobicContact CD2-CB 3.75Å; F223-E259 HydrophobicContact CD2-CG 4.23Å; F223-E259 HydrophobicContact CE1-CB 3.63Å; F223-E259 HydrophobicContact CE2-CB 3.51Å; F223-E259 HydrophobicContact CE2-CG 3.99Å; F223-E259 HydrophobicContact CG-CB 3.92Å; F223-E259 HydrophobicContact CZ-CB 3.45Å; F223-E259 VanDerWaalsContact CZ-CB 3.45Å; F223-E259 HydrophobicContact CZ-CG 4.34Å; F223-T263 HydrophobicContact CB-CG2 3.65Å; F223-T263 HydrophobicContact CD1-CG2 3.74Å; F223-T263 HydrophobicContact CG-CG2 4.14Å
224Y94.9Very high91Very high13 Ų1326.5 Ų26.55%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-129.1150.7-179-44.7-111.8000110.4E156 V160 P166 V167 K169 R228 K229E156-Y224 PolarHBondContact OE1-OH 3.01Å; V160-Y224 HydrophobicContact CB-CD1 4.47Å; V160-Y224 HydrophobicContact CG1-CD1 3.62Å; V160-Y224 HydrophobicContact CG1-CE1 4.27Å; V160-Y224 HydrophobicContact CG1-CG 4.05Å; V160-Y224 HydrophobicContact CG2-CD1 3.96Å; V160-Y224 HydrophobicContact CG2-CD2 4.31Å; V160-Y224 HydrophobicContact CG2-CE1 4.05Å; V160-Y224 HydrophobicContact CG2-CE2 4.44Å; V160-Y224 HydrophobicContact CG2-CG 4.11Å; P166-Y224 WeakPolarHBondContact CA-O 3.5Å; V167-Y224 HydrophobicContact CB-CD2 4.15Å; V167-Y224 HydrophobicContact CB-CG 4.46Å; V167-Y224 HydrophobicContact CG1-CD2 4.09Å; V167-Y224 PolarHBondContact N-O 3.43Å; V167-Y224 PolarHBondContact O-N 3.2Å; K169-Y224 HydrophobicContact CB-CE2 3.99Å; K169-Y224 WeakPolarHBondContact CE-OH 3.39Å; Y224-R228 CarbonylContact C-O 3.58Å; Y224-R228 WeakPolarHBondContact CA-O 3.33Å; Y224-R228 VanDerWaalsContact CB-O 3.25Å; Y224-R228 WeakPolarHBondContact CB-O 3.5Å; Y224-K229 HydrophobicContact CD1-CB 3.84Å; Y224-K229 HydrophobicContact CD1-CG 4.16Å; Y224-K229 HydrophobicContact CE1-CB 3.86Å; Y224-K229 HydrophobicContact CE1-CD 4.26Å; Y224-K229 HydrophobicContact CE1-CG 3.93Å
225G91.8Very high91.4Very high1 Ų123.6 Ų23.61%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-144.1132.9171.500000108.5G227 R228G225-G227 VanDerWaalsContact C-N 3.35Å; G225-G227 PolarHBondContact O-N 3.43Å; G225-R228 PolarHBondContact N-O 3.3Å; G225-R228 WeakPolarHBondContact O-CG 3.46Å; G225-R228 PolarHBondContact O-N 3.08Å
226Q86.4Confident91.8Very high66 Ų6625 Ų2531%0.30813%0.13SC..THydrogen-bonded Turntrans52.448.9178.2-59.3157.1-1300113.1R228Q226-R228 VanDerWaalsContact C-N 3.25Å; Q226-R228 PolarHBondContact O-N 2.89Å
227G86.9Confident91.9Very high33 Ų3319.8 Ų19.834%0.3410%0.104SC..THydrogen-bonded Turntrans75.90.3175.800000116.3V160 G225V160-G227 WeakPolarHBondContact O-CA 3.37Å; G225-G227 VanDerWaalsContact C-N 3.35Å; G225-G227 PolarHBondContact O-N 3.43Å
228R88.9Confident91.5Very high56 Ų5621.1 Ų21.121%0.21111%0.112CC..EExtended strand (participates in β ladder)trans-120.5148.1-17959171.8-166.6165.119.2112.8Y224 G225 Q226 L230 Y266 R303Y224-R228 CarbonylContact C-O 3.58Å; Y224-R228 WeakPolarHBondContact CA-O 3.33Å; Y224-R228 VanDerWaalsContact CB-O 3.25Å; Y224-R228 WeakPolarHBondContact CB-O 3.5Å; G225-R228 PolarHBondContact N-O 3.3Å; G225-R228 WeakPolarHBondContact O-CG 3.46Å; G225-R228 PolarHBondContact O-N 3.08Å; Q226-R228 VanDerWaalsContact C-N 3.25Å; Q226-R228 PolarHBondContact O-N 2.89Å; R228-L230 HydrophobicContact CG-CD2 4.24Å; R228-Y266 PolarHBondContact NH2-OH 3Å; R228-Y266 VanDerWaalsContact NH2-OH 3.15Å; R228-R303 VanDerWaalsContact CZ-O 3.28Å; R228-R303 PolarHBondContact NH1-O 3.43Å; R228-R303 PolarHBondContact NH2-O 2.82Å
229K92.3Very high90.8Very high61 Ų6121.6 Ų21.627%0.26512%0.115SC..EExtended strand (participates in β ladder)trans-74127.6174.2-163.4172.5-167.4174.80110S222 Y224 E232 V306S222-K229 VanDerWaalsContact OG-CE 3.27Å; S222-K229 WeakPolarHBondContact OG-CE 3.3Å; S222-K229 PolarHBondContact OG-NZ 3.05Å; Y224-K229 HydrophobicContact CD1-CB 3.84Å; Y224-K229 HydrophobicContact CD1-CG 4.16Å; Y224-K229 HydrophobicContact CE1-CB 3.86Å; Y224-K229 HydrophobicContact CE1-CD 4.26Å; Y224-K229 HydrophobicContact CE1-CG 3.93Å; K229-E232 WeakPolarHBondContact CE-OE2 3.23Å; K229-E232 IonicContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact NZ-OE2 3.35Å; K229-V306 HydrophobicContact CB-CG2 4.27Å; K229-V306 HydrophobicContact CD-CG1 4.18Å; K229-V306 HydrophobicContact CG-CG1 4.06Å
230L91.9Very high89.8Confident10 Ų1029.7 Ų29.75%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-101.5-43.9-178.7-57.7176.3000111.6F223 R228 T263 Y266 R307F223-L230 PolarHBondContact O-N 3.34Å; R228-L230 HydrophobicContact CG-CD2 4.24Å; L230-T263 HydrophobicContact CD1-CG2 4.48Å; L230-Y266 HydrophobicContact CD1-CD2 3.45Å; L230-Y266 VanDerWaalsContact CD1-CD2 3.45Å; L230-Y266 HydrophobicContact CD1-CE2 3.48Å; L230-Y266 VanDerWaalsContact CD1-CE2 3.48Å; L230-Y266 HydrophobicContact CD1-CG 4.05Å; L230-Y266 HydrophobicContact CD2-CE1 4.08Å; L230-Y266 HydrophobicContact CD2-CE2 4.03Å; L230-Y266 HydrophobicContact CG-CE2 4.39Å; L230-R307 PolarHBondContact O-N 2.96Å
231A93.8Very high88.5Confident0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-153.1160.8-177.200000111.8F223 E259 R307F223-A231 HydrophobicContact CB-CB 4.3Å; F223-A231 HydrophobicContact CD2-CB 4.08Å; F223-A231 PolarHBondContact N-O 3.27Å; F223-A231 PolarHBondContact O-N 3.48Å; A231-E259 HydrophobicContact CB-CG 4.42Å; A231-E259 WeakPolarHBondContact CB-OE2 3.37Å; A231-R307 CarbonylContact C-O 3.52Å; A231-R307 WeakPolarHBondContact CA-O 3.32Å; A231-R307 HydrophobicContact CB-CB 4.03Å
232E95.3Very high87Confident26 Ų2638.2 Ų38.212%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-138141.7165.663-168.2-167.700110.6W221 K229 R307 R308 I309W221-E232 CarbonylContact O-C 3.56Å; W221-E232 WeakPolarHBondContact O-CA 3.22Å; K229-E232 WeakPolarHBondContact CE-OE2 3.23Å; K229-E232 IonicContact NZ-OE2 2.76Å; K229-E232 PolarHBondContact NZ-OE2 3.35Å; E232-R307 PolarHBondContact N-O 3.45Å; E232-R308 HydrophobicContact CG-CB 4.2Å; E232-R308 HydrophobicContact CG-CG 3.93Å; E232-R308 WeakPolarHBondContact OE1-CD 3.33Å; E232-R308 WeakPolarHBondContact OE1-CG 3.43Å; E232-R308 IonicContact OE1-CZ 2.83Å; E232-R308 IonicContact OE1-NE 2.91Å; E232-R308 PolarHBondContact OE1-NE 2.93Å; E232-I309 PolarHBondContact O-N 3.01Å
233V95.3Very high85.4Confident0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans-117.3106.6173.21790000107.2W221 F223 C235 P252 I256 E259 I309 I311W221-V233 HydrophobicContact CB-CB 4.28Å; W221-V233 PolarHBondContact N-O 2.87Å; W221-V233 PolarHBondContact O-N 3.37Å; F223-V233 HydrophobicContact CE2-CB 4.47Å; F223-V233 HydrophobicContact CE2-CG2 3.89Å; V233-C235 PolarHBondContact O-N 3.44Å; V233-P252 HydrophobicContact CG1-CB 4.47Å; V233-P252 HydrophobicContact CG1-CG 3.62Å; V233-I256 HydrophobicContact CG1-CG1 4.41Å; V233-E259 HydrophobicContact CG2-CG 4.06Å; V233-I309 HydrophobicContact CG2-CB 4.08Å; V233-I309 HydrophobicContact CG2-CD1 3.86Å; V233-I309 HydrophobicContact CG2-CG2 4.44Å; V233-I311 HydrophobicContact CG1-CD1 4.41Å
234C92.5Very high84Confident7 Ų753.9 Ų53.95%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-78.7113.7174.5-68.50000108.6T236 I309C234-T236 PolarHBondContact O-N 3.22Å; C234-I309 PolarHBondContact N-O 3.18Å
235C91.8Very high82.9Confident0 Ų059.8 Ų59.80%030%0.3CS..  trans-84.321.3-178.9-63.90000112.3N192 C219 W221 V233 V249 E250N192-C235 PolarHBondContact OD1-SG 3.08Å; C219-C235 HydrophobicContact CB-CB 3.88Å; C219-C235 WeakPolarHBondContact O-CB 3.11Å; C219-C235 PolarHBondContact O-N 2.84Å; W221-C235 VanDerWaalsContact CD1-SG 3.52Å; V233-C235 PolarHBondContact O-N 3.44Å; C235-V249 CarbonylContact O-C 3.55Å; C235-V249 WeakPolarHBondContact O-CA 3.47Å; C235-E250 PolarHBondContact O-N 3.36Å
236T88.8Confident82.1Confident32 Ų3263.1 Ų63.120%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-118.1141.9179.8600000111.3I218 C234 T247 K248I218-T236 HydrophobicContact CB-CG2 3.94Å; I218-T236 HydrophobicContact CD1-CG2 4.39Å; I218-T236 HydrophobicContact CG1-CG2 4.49Å; C234-T236 PolarHBondContact O-N 3.22Å; T236-T247 HydrophobicContact CG2-CG2 4.27Å; T236-K248 CarbonylContact C-O 3.57Å; T236-K248 VanDerWaalsContact CA-O 3.28Å; T236-K248 WeakPolarHBondContact CA-O 3.31Å
237S85.8Confident81.8Confident11 Ų1161.5 Ų61.58%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-128.9137.9176.174.60000110.3T247 K248 E250S237-T247 CarbonylContact O-C 3.36Å; S237-T247 WeakPolarHBondContact O-CA 3.25Å; S237-K248 PolarHBondContact N-O 2.88Å; S237-K248 PolarHBondContact O-N 3.29Å; S237-E250 PolarHBondContact OG-OE1 3.28Å
238I79.2Confident81.8Confident109 Ų10962.2 Ų62.256%0.55930%0.303SS*.EExtended strand (participates in β ladder)trans-93.2121.7177.1-57.9174.8000108.6Y240I238-Y240 HydrophobicContact CG2-CE2 4.15Å
239V74Confident81.8Confident19 Ų1959.5 Ų59.512%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-112.2126.4176.8-173.30000108.9A241 Q246 K248 R313V239-A241 PolarHBondContact O-N 3.05Å; V239-Q246 PolarHBondContact N-O 2.83Å; V239-Q246 PolarHBondContact O-N 2.86Å; V239-K248 HydrophobicContact CG2-CD 3.79Å; V239-K248 HydrophobicContact CG2-CG 3.9Å; V239-R313 VanDerWaalsContact CG2-NH2 3.33Å
240Y71.4Confident81.8Confident169 Ų16958.7 Ų58.766%0.66329%0.29SS*.EExtended strand (participates in β ladder)trans-87.2103.2172.4-62.8-98000107.8I238 K245I238-Y240 HydrophobicContact CG2-CE2 4.15Å; Y240-K245 HydrophobicContact CD1-CG 4.05Å; Y240-K245 HydrophobicContact CE1-CD 4.06Å; Y240-K245 HydrophobicContact CE1-CG 4.05Å
241A65.4Low81.8Confident39 Ų3960.4 Ų60.432%0.32230%0.297SS..  trans-83.6160.1164.400000109V239 E243 K244V239-A241 PolarHBondContact O-N 3.05Å; A241-E243 PolarHBondContact O-N 3.45Å; A241-K244 WeakPolarHBondContact CB-O 3.32Å; A241-K244 PolarHBondContact N-O 3.23Å; A241-K244 VanDerWaalsContact N-O 3.1Å; A241-K244 PolarHBondContact O-N 3.41Å
242T66.1Low81.9Confident148 Ų14861.2 Ų61.291%0.90830%0.302SS*.SBendtrans-53-23.9-178.645.70000113.9
243E63.7Low81.9Confident176 Ų17663.8 Ų63.882%0.82232%0.315SS*.SBendtrans-113.9-29.5-175-62.5-179.9-17300114.2A241A241-E243 PolarHBondContact O-N 3.45Å
244K67.9Low81.8Confident156 Ų15667.5 Ų67.568%0.67835%0.345SS*.  trans-155.1154.3-176.5-65.6-172.6-1781730113A241A241-K244 WeakPolarHBondContact CB-O 3.32Å; A241-K244 PolarHBondContact N-O 3.23Å; A241-K244 VanDerWaalsContact N-O 3.1Å; A241-K244 PolarHBondContact O-N 3.41Å
245K71.6Confident81.8Confident137 Ų13770.1 Ų70.160%0.59635%0.354SS*.EExtended strand (participates in β ladder)trans-69.2133.2164.5-59.8-173.1-172.6-173.30109.5Y240Y240-K245 HydrophobicContact CD1-CG 4.05Å; Y240-K245 HydrophobicContact CE1-CD 4.06Å; Y240-K245 HydrophobicContact CE1-CG 4.05Å
246Q75.3Confident82Confident71 Ų7170.1 Ų70.133%0.33235%0.354SS..EExtended strand (participates in β ladder)trans-126.7127179.1-68.8-175.2-2.600110.1S180 V239S180-Q246 WeakPolarHBondContact OG-CA 3.29Å; S180-Q246 WeakPolarHBondContact OG-CB 3.35Å; V239-Q246 PolarHBondContact N-O 2.83Å; V239-Q246 PolarHBondContact O-N 2.86Å
247T80.9Confident82.3Confident31 Ų3171.8 Ų71.819%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-92.587.3177.1-50.70000114.3Y179 S180 I218 T236 S237Y179-T247 PolarHBondContact O-N 3.29Å; S180-T247 WeakPolarHBondContact CB-O 3.44Å; S180-T247 PolarHBondContact OG-N 3.36Å; S180-T247 PolarHBondContact OG-O 3.35Å; I218-T247 HydrophobicContact CD1-CG2 3.94Å; T236-T247 HydrophobicContact CG2-CG2 4.27Å; S237-T247 CarbonylContact O-C 3.36Å; S237-T247 WeakPolarHBondContact O-CA 3.25Å
248K85.6Confident82.7Confident48 Ų4873 Ų7321%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-74.2146.3-178.5-59.5-167.8-177.3-169.60112.4T236 S237 V239T236-K248 CarbonylContact C-O 3.57Å; T236-K248 VanDerWaalsContact CA-O 3.28Å; T236-K248 WeakPolarHBondContact CA-O 3.31Å; S237-K248 PolarHBondContact N-O 2.88Å; S237-K248 PolarHBondContact O-N 3.29Å; V239-K248 HydrophobicContact CG2-CD 3.79Å; V239-K248 HydrophobicContact CG2-CG 3.9Å
249V89.3Confident83.4Confident0 Ų067.9 Ų67.90%034%0.335CS..EExtended strand (participates in β ladder)trans-91.7127.3169.6-178.70000108.5S185 N188 L189 I218 C219 C235S185-V249 PolarHBondContact OG-N 2.78Å; N188-V249 HydrophobicContact CB-CG1 4.34Å; N188-V249 WeakPolarHBondContact CB-O 3.44Å; N188-V249 PolarHBondContact ND2-O 2.77Å; L189-V249 HydrophobicContact CB-CG1 4.3Å; I218-V249 HydrophobicContact CB-CG2 4.45Å; I218-V249 HydrophobicContact CG2-CG2 3.66Å; C219-V249 HydrophobicContact CB-CG1 4.29Å; C235-V249 CarbonylContact O-C 3.55Å; C235-V249 WeakPolarHBondContact O-CA 3.47Å
250E91.4Very high84.4Confident43 Ų4367 Ų6720%0.20133%0.33CS..  trans-105.8159.6179.6-58.3-66.1169.200110.4N192 C235 S237 P252 I311N192-E250 PolarHBondContact ND2-O 3.1Å; N192-E250 VanDerWaalsContact ND2-O 3.08Å; C235-E250 PolarHBondContact O-N 3.36Å; S237-E250 PolarHBondContact OG-OE1 3.28Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; E250-I311 HydrophobicContact CB-CB 4.44Å; E250-I311 HydrophobicContact CB-CG1 4.36Å; E250-I311 HydrophobicContact CB-CG2 4.16Å; E250-I311 HydrophobicContact CG-CB 4.31Å; E250-I311 HydrophobicContact CG-CG2 4.01Å
251F93.8Very high85.4Confident46 Ų4663.2 Ų63.220%0.20232%0.321CS..  trans-121.383.5174.7177.2-122.2000110.5N188 K191 L195 E253N188-F251 HydrophobicContact CB-CB 4.06Å; K191-F251 HydrophobicContact CB-CB 4.44Å; K191-F251 HydrophobicContact CB-CD1 3.85Å; K191-F251 HydrophobicContact CB-CD2 3.75Å; K191-F251 HydrophobicContact CB-CE1 3.94Å; K191-F251 HydrophobicContact CB-CE2 3.86Å; K191-F251 HydrophobicContact CB-CG 3.74Å; K191-F251 HydrophobicContact CB-CZ 3.95Å; K191-F251 HydrophobicContact CD-CD1 3.75Å; K191-F251 HydrophobicContact CD-CE1 4.16Å; K191-F251 HydrophobicContact CD-CG 4.2Å; K191-F251 HydrophobicContact CG-CD1 4.38Å; K191-F251 HydrophobicContact CG-CE1 4.47Å; K191-F251 WeakPolarHBondContact O-CE2 3.5Å; L195-F251 HydrophobicContact CB-CE2 3.99Å; L195-F251 HydrophobicContact CB-CZ 4.26Å; L195-F251 HydrophobicContact CD2-CE2 3.69Å; L195-F251 HydrophobicContact CD2-CZ 4Å; L195-F251 HydrophobicContact CG-CE2 4.48Å; F251-E253 HydrophobicContact CD1-CB 4.14Å; F251-E253 HydrophobicContact CE1-CB 3.57Å; F251-E253 HydrophobicContact CE1-CG 4Å; F251-E253 HydrophobicContact CE2-CB 4.24Å; F251-E253 HydrophobicContact CZ-CB 3.62Å; F251-E253 HydrophobicContact CZ-CG 3.77Å; F251-E253 PolarHBondContact O-N 3.47Å
252P94.6Very high86.7Confident17 Ų1762.3 Ų62.311%0.1131%0.311CS..  trans-82.861.7-177.935.6-37.1000112V233 E250 A254 R255 I256 I311V233-P252 HydrophobicContact CG1-CB 4.47Å; V233-P252 HydrophobicContact CG1-CG 3.62Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-A254 PolarHBondContact O-N 2.84Å; P252-R255 HydrophobicContact CB-CB 4.38Å; P252-R255 PolarHBondContact O-N 3.37Å; P252-R255 VanDerWaalsContact O-N 3.07Å; P252-I256 HydrophobicContact CG-CD1 3.97Å; P252-I256 HydrophobicContact CG-CG1 4.25Å; P252-I256 PolarHBondContact O-N 3.16Å; P252-I256 VanDerWaalsContact O-N 3.09Å; P252-I311 HydrophobicContact CB-CD1 3.36Å; P252-I311 HydrophobicContact CB-CG1 4.01Å; P252-I311 HydrophobicContact CG-CD1 3.71Å; P252-I311 HydrophobicContact CG-CG1 4.03Å
253E94.8Very high87.9Confident81 Ų8155.4 Ų55.438%0.37927%0.268SS..Hα-helixtrans-46.9-53.6-172.9-175.3169.9-162.300113.4L195 F251 R255 I256 Y257L195-E253 HydrophobicContact CD2-CG 4.27Å; F251-E253 HydrophobicContact CD1-CB 4.14Å; F251-E253 HydrophobicContact CE1-CB 3.57Å; F251-E253 HydrophobicContact CE1-CG 4Å; F251-E253 HydrophobicContact CE2-CB 4.24Å; F251-E253 HydrophobicContact CZ-CB 3.62Å; F251-E253 HydrophobicContact CZ-CG 3.77Å; F251-E253 PolarHBondContact O-N 3.47Å; E253-R255 VanDerWaalsContact C-N 3.29Å; E253-R255 PolarHBondContact O-N 3.15Å; E253-I256 PolarHBondContact O-N 2.83Å; E253-Y257 HydrophobicContact CG-CD2 3.69Å; E253-Y257 HydrophobicContact CG-CE2 3.62Å; E253-Y257 WeakPolarHBondContact O-CD2 3.47Å; E253-Y257 PolarHBondContact O-N 3.46Å
254A93.3Very high89.2Confident77 Ų7748.1 Ų48.164%0.63623%0.234SC*.Hα-helixtrans-59.1-39.8-176.900000112.6P252 E258P252-A254 PolarHBondContact O-N 2.84Å; A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.19Å
255R93Very high90.2Very high62 Ų6243.5 Ų43.523%0.23422%0.217CC..Hα-helixtrans-70.4-39.9178.6-66-58.7-172.3-1761.7111.6P252 E253 Y257 E258 E259P252-R255 HydrophobicContact CB-CB 4.38Å; P252-R255 PolarHBondContact O-N 3.37Å; P252-R255 VanDerWaalsContact O-N 3.07Å; E253-R255 VanDerWaalsContact C-N 3.29Å; E253-R255 PolarHBondContact O-N 3.15Å; R255-Y257 VanDerWaalsContact C-N 3.35Å; R255-E258 WeakPolarHBondContact CD-OE2 3.39Å; R255-E258 IonicContact CZ-OE2 2.81Å; R255-E258 IonicContact NH1-OE1 2.87Å; R255-E258 IonicContact NH1-OE2 3.87Å; R255-E258 PolarHBondContact NH1-OE2 3.15Å; R255-E258 PolarHBondContact O-N 2.91Å; R255-E259 WeakPolarHBondContact O-CB 3.43Å; R255-E259 WeakPolarHBondContact O-CG 3.45Å; R255-E259 PolarHBondContact O-N 3.03Å
256I96.2Very high90.9Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-62.8-43.7176.9-65.5160.7000110.6N192 L195 L199 W221 V233 P252 E253 T260N192-I256 WeakPolarHBondContact OD1-CD1 3.46Å; L195-I256 HydrophobicContact CD2-CB 3.94Å; L195-I256 HydrophobicContact CD2-CD1 4.04Å; L195-I256 HydrophobicContact CD2-CG2 3.64Å; L195-I256 HydrophobicContact CG-CG2 4.39Å; L199-I256 HydrophobicContact CD1-CG2 4.18Å; W221-I256 HydrophobicContact CD2-CD1 4.37Å; W221-I256 HydrophobicContact CD2-CG1 4.24Å; W221-I256 HydrophobicContact CD2-CG2 3.73Å; W221-I256 HydrophobicContact CE3-CG2 3.64Å; W221-I256 HydrophobicContact CG-CD1 4.44Å; W221-I256 HydrophobicContact CG-CG1 4.2Å; W221-I256 HydrophobicContact CG-CG2 4.46Å; W221-I256 HydrophobicContact CH2-CG2 3.61Å; W221-I256 HydrophobicContact CZ2-CD1 4.14Å; W221-I256 HydrophobicContact CZ2-CG2 3.75Å; W221-I256 HydrophobicContact CZ3-CG2 3.58Å; V233-I256 HydrophobicContact CG1-CG1 4.41Å; P252-I256 HydrophobicContact CG-CD1 3.97Å; P252-I256 HydrophobicContact CG-CG1 4.25Å; P252-I256 PolarHBondContact O-N 3.16Å; P252-I256 VanDerWaalsContact O-N 3.09Å; E253-I256 PolarHBondContact O-N 2.83Å; I256-T260 WeakPolarHBondContact O-CB 3.45Å; I256-T260 PolarHBondContact O-N 3.04Å; I256-T260 PolarHBondContact O-OG1 3.32Å
257Y95.2Very high91.3Very high68 Ų6837.9 Ų37.927%0.26719%0.192SC..Hα-helixtrans-62.2-49.1175.3-89.3-74000112.2L195 R198 L199 E253 R255 E259 T260 L261L195-Y257 HydrophobicContact CD1-CD2 4.12Å; L195-Y257 HydrophobicContact CD1-CE1 4.15Å; L195-Y257 HydrophobicContact CD1-CE2 3.32Å; L195-Y257 VanDerWaalsContact CD1-OH 3.25Å; L195-Y257 WeakPolarHBondContact CD1-OH 3.38Å; L195-Y257 HydrophobicContact CD2-CE2 4.33Å; L195-Y257 HydrophobicContact CG-CE2 4.48Å; R198-Y257 PolarHBondContact NH1-OH 2.85Å; L199-Y257 HydrophobicContact CD2-CD1 3.84Å; L199-Y257 HydrophobicContact CD2-CE1 3.53Å; L199-Y257 HydrophobicContact CG-CE1 4.41Å; E253-Y257 HydrophobicContact CG-CD2 3.69Å; E253-Y257 HydrophobicContact CG-CE2 3.62Å; E253-Y257 WeakPolarHBondContact O-CD2 3.47Å; E253-Y257 PolarHBondContact O-N 3.46Å; R255-Y257 VanDerWaalsContact C-N 3.35Å; Y257-E259 VanDerWaalsContact C-N 3.35Å; Y257-E259 PolarHBondContact O-N 3.02Å; Y257-T260 PolarHBondContact O-N 3.33Å; Y257-L261 WeakPolarHBondContact O-CG 3.42Å; Y257-L261 PolarHBondContact O-N 3Å
258E93.4Very high91Very high36 Ų3641 Ų4117%0.16821%0.211CC..Hα-helixtrans-55.6-49.2178.8-179.1176.1-151.500111.1A254 R255 T260 L261 N262 S283A254-E258 WeakPolarHBondContact O-CB 3.36Å; A254-E258 PolarHBondContact O-N 3.19Å; R255-E258 WeakPolarHBondContact CD-OE2 3.39Å; R255-E258 IonicContact CZ-OE2 2.81Å; R255-E258 IonicContact NH1-OE1 2.87Å; R255-E258 IonicContact NH1-OE2 3.87Å; R255-E258 PolarHBondContact NH1-OE2 3.15Å; R255-E258 PolarHBondContact O-N 2.91Å; E258-T260 PolarHBondContact O-N 3.21Å; E258-L261 PolarHBondContact O-N 3.47Å; E258-N262 WeakPolarHBondContact O-CB 3.31Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 3.26Å; E258-S283 PolarHBondContact OE1-OG 3.35Å
259E94.4Very high90.1Very high1 Ų145.6 Ų45.61%0.00524%0.237CC..Hα-helixtrans-64.4-39.8178-68.3-49.9145.600113F223 A231 V233 R255 Y257 L261 N262 T263 Y284 R307 I309F223-E259 HydrophobicContact CD1-CB 3.85Å; F223-E259 HydrophobicContact CD2-CB 3.75Å; F223-E259 HydrophobicContact CD2-CG 4.23Å; F223-E259 HydrophobicContact CE1-CB 3.63Å; F223-E259 HydrophobicContact CE2-CB 3.51Å; F223-E259 HydrophobicContact CE2-CG 3.99Å; F223-E259 HydrophobicContact CG-CB 3.92Å; F223-E259 HydrophobicContact CZ-CB 3.45Å; F223-E259 VanDerWaalsContact CZ-CB 3.45Å; F223-E259 HydrophobicContact CZ-CG 4.34Å; A231-E259 HydrophobicContact CB-CG 4.42Å; A231-E259 WeakPolarHBondContact CB-OE2 3.37Å; V233-E259 HydrophobicContact CG2-CG 4.06Å; R255-E259 WeakPolarHBondContact O-CB 3.43Å; R255-E259 WeakPolarHBondContact O-CG 3.45Å; R255-E259 PolarHBondContact O-N 3.03Å; Y257-E259 VanDerWaalsContact C-N 3.35Å; Y257-E259 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.5Å; E259-N262 WeakPolarHBondContact O-CB 3.12Å; E259-N262 PolarHBondContact O-N 3.13Å; E259-T263 WeakPolarHBondContact O-CG2 3.42Å; E259-T263 PolarHBondContact O-N 3.4Å; E259-Y284 PolarHBondContact OE1-OH 3.33Å; E259-R307 IonicContact OE1-CZ 3.79Å; E259-R307 IonicContact OE1-NH1 3.77Å; E259-R307 PolarHBondContact OE1-NH1 2.88Å; E259-R307 IonicContact OE2-CZ 3.88Å; E259-R307 IonicContact OE2-NH1 3.12Å; E259-R307 PolarHBondContact OE2-NH1 3.08Å; E259-R307 IonicContact OE2-NH2 2.77Å; E259-R307 PolarHBondContact OE2-NH2 3.31Å; E259-I309 HydrophobicContact CG-CD1 3.93Å; E259-I309 VanDerWaalsContact OE1-CD1 3.31Å; E259-I309 WeakPolarHBondContact OE1-CD1 3.5Å
260T95.1Very high89.1Confident1 Ų150.9 Ų50.91%0.00627%0.272CS..Hα-helixtrans-59.5-46.6176.1-57.50000110.8V168 L199 I256 Y257 E258 N262 T263V168-T260 HydrophobicContact CG2-CG2 4.44Å; L199-T260 HydrophobicContact CD1-CG2 4.29Å; L199-T260 HydrophobicContact CD2-CG2 4.23Å; I256-T260 WeakPolarHBondContact O-CB 3.45Å; I256-T260 PolarHBondContact O-N 3.04Å; I256-T260 PolarHBondContact O-OG1 3.32Å; Y257-T260 PolarHBondContact O-N 3.33Å; E258-T260 PolarHBondContact O-N 3.21Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.05Å; T260-T263 PolarHBondContact O-N 3Å; T260-T263 PolarHBondContact O-OG1 3.12Å
261L92.8Very high88Confident90 Ų9051.6 Ų51.647%0.47128%0.276SS..Hα-helixtrans-64.6-38.5176.5-66177.7000111.9F203 Y257 E258 E259 T263 L264F203-L261 HydrophobicContact CZ-CD2 4.1Å; Y257-L261 WeakPolarHBondContact O-CG 3.42Å; Y257-L261 PolarHBondContact O-N 3Å; E258-L261 PolarHBondContact O-N 3.47Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.5Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.29Å; L261-L264 HydrophobicContact CD2-CD1 4.06Å; L261-L264 VanDerWaalsContact O-CB 3.3Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.35Å
262N91.8Very high86.7Confident20 Ų2050 Ų5011%0.10727%0.27CS..Hα-helixtrans-62.5-30.8176.4-74.7-27000112.6E258 E259 T260 L264 L265E258-N262 WeakPolarHBondContact O-CB 3.31Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 3.26Å; E259-N262 WeakPolarHBondContact O-CB 3.12Å; E259-N262 PolarHBondContact O-N 3.13Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.05Å; N262-L264 PolarHBondContact O-N 3.01Å; N262-L265 WeakPolarHBondContact O-CB 3.08Å; N262-L265 WeakPolarHBondContact O-CG 3.11Å; N262-L265 PolarHBondContact O-N 3.4Å
263T91.3Very high85.7Confident2 Ų254.7 Ų54.71%0.01230%0.295CS..Hα-helixtrans-64.2-28.1174.5690000113.3P166 V168 F223 L230 E259 T260 L261 L265 Y266P166-T263 WeakPolarHBondContact CB-O 3.06Å; V168-T263 HydrophobicContact CG2-CG2 4.46Å; F223-T263 HydrophobicContact CB-CG2 3.65Å; F223-T263 HydrophobicContact CD1-CG2 3.74Å; F223-T263 HydrophobicContact CG-CG2 4.14Å; L230-T263 HydrophobicContact CD1-CG2 4.48Å; E259-T263 WeakPolarHBondContact O-CG2 3.42Å; E259-T263 PolarHBondContact O-N 3.4Å; T260-T263 PolarHBondContact O-N 3Å; T260-T263 PolarHBondContact O-OG1 3.12Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.29Å; T263-L265 PolarHBondContact O-N 2.97Å; T263-Y266 WeakPolarHBondContact O-CB 3.46Å; T263-Y266 PolarHBondContact O-N 2.96Å
264L91.2Very high84.7Confident23 Ų2354.4 Ų54.412%0.1230%0.296CS..G310 helixtrans-65.9-20.5-180-61.1175.4000112.6F203 R206 V207 L261 N262 Y266 E267F203-L264 HydrophobicContact CD1-CD1 4.33Å; F203-L264 HydrophobicContact CE1-CD1 4.06Å; R206-L264 HydrophobicContact CB-CD2 4.27Å; V207-L264 HydrophobicContact CG2-CD2 3.39Å; L261-L264 HydrophobicContact CD2-CD1 4.06Å; L261-L264 VanDerWaalsContact O-CB 3.3Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.35Å; N262-L264 PolarHBondContact O-N 3.01Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-Y266 VanDerWaalsContact O-N 3.11Å; L264-E267 WeakPolarHBondContact O-CB 3.49Å; L264-E267 PolarHBondContact O-N 2.94Å
265L88.3Confident83.7Confident60 Ų6059.9 Ų59.931%0.31430%0.302SS..G310 helixtrans-62.1-15.7171.7-59.3176.6000112.8N262 T263 P272 T280N262-L265 WeakPolarHBondContact O-CB 3.08Å; N262-L265 WeakPolarHBondContact O-CG 3.11Å; N262-L265 PolarHBondContact O-N 3.4Å; T263-L265 PolarHBondContact O-N 2.97Å; L265-P272 HydrophobicContact CB-CB 4.39Å; L265-P272 HydrophobicContact CB-CG 4.31Å; L265-T280 HydrophobicContact CD1-CG2 4.07Å
266Y87.4Confident82.7Confident21 Ų2161.2 Ų61.28%0.08231%0.313CS..G310 helixtrans-105.411.3-178.9-63.6-90.7000113.1R228 L230 T263 L264 P272 L277R228-Y266 PolarHBondContact NH2-OH 3Å; R228-Y266 VanDerWaalsContact NH2-OH 3.15Å; L230-Y266 HydrophobicContact CD1-CD2 3.45Å; L230-Y266 VanDerWaalsContact CD1-CD2 3.45Å; L230-Y266 HydrophobicContact CD1-CE2 3.48Å; L230-Y266 VanDerWaalsContact CD1-CE2 3.48Å; L230-Y266 HydrophobicContact CD1-CG 4.05Å; L230-Y266 HydrophobicContact CD2-CE1 4.08Å; L230-Y266 HydrophobicContact CD2-CE2 4.03Å; L230-Y266 HydrophobicContact CG-CE2 4.39Å; T263-Y266 WeakPolarHBondContact O-CB 3.46Å; T263-Y266 PolarHBondContact O-N 2.96Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-Y266 VanDerWaalsContact O-N 3.11Å; Y266-P272 HydrophobicContact CD1-CG 3.97Å; Y266-P272 HydrophobicContact CD2-CG 4.45Å; Y266-P272 HydrophobicContact CE1-CG 3.55Å; Y266-P272 HydrophobicContact CE2-CG 4.09Å; Y266-P272 HydrophobicContact CG-CG 4.41Å; Y266-L277 WeakPolarHBondContact OH-CD2 3.5Å
267E84.3Confident81.6Confident69 Ų6962.5 Ų62.532%0.32232%0.32SS..SBendtrans-71.3-32.9178-175.4178.1-161.900113.3R206 L264R206-E267 WeakPolarHBondContact CB-OE1 3.31Å; R206-E267 VanDerWaalsContact CG-OE1 3.25Å; R206-E267 WeakPolarHBondContact CG-OE1 3.21Å; R206-E267 IonicContact CZ-OE2 2.78Å; R206-E267 IonicContact NE-OE1 3.73Å; R206-E267 PolarHBondContact NE-OE1 2.9Å; R206-E267 VanDerWaalsContact NE-OE1 3.11Å; R206-E267 IonicContact NE-OE2 3.78Å; R206-E267 PolarHBondContact NE-OE2 2.85Å; R206-E267 IonicContact NH2-OE2 2.68Å; R206-E267 PolarHBondContact NH2-OE2 2.98Å; L264-E267 WeakPolarHBondContact O-CB 3.49Å; L264-E267 PolarHBondContact O-N 2.94Å
268T74Confident80.5Confident96 Ų9662.9 Ų62.959%0.58932%0.324SS*.SBendtrans-117.9149.3-176.952.80000111.5P270T268-P270 VanDerWaalsContact O-O 3.09Å
269L66.4Low79.4Confident145 Ų14564 Ų6476%0.75934%0.339SS*.SBendtrans-86142.6162.2-79.4154.3000108.7L271L269-L271 HydrophobicContact CD2-CD2 4.5Å
270P68.7Low78.3Confident111 Ų11166.2 Ų66.272%0.72135%0.353SS*.SBendcis-81.3172.3533.2-34.7000113.9T268T268-P270 VanDerWaalsContact O-O 3.09Å
271L68.1Low76.7Confident57 Ų5770.5 Ų70.530%0.29837%0.369SS..PPolyproline II helixtrans-59.9142.5-177.2-55.5154000109.6L269 D273 R303L269-L271 HydrophobicContact CD2-CD2 4.5Å; L271-D273 PolarHBondContact O-N 2.8Å; L271-R303 VanDerWaalsContact CD1-CZ 3.47Å
272P66.7Low74.9Confident12 Ų1275.6 Ų75.68%0.07838%0.382CS..PPolyproline II helixtrans-61.2125.9177.621-29.4000110.5L265 Y266 L277L265-P272 HydrophobicContact CB-CB 4.39Å; L265-P272 HydrophobicContact CB-CG 4.31Å; Y266-P272 HydrophobicContact CD1-CG 3.97Å; Y266-P272 HydrophobicContact CD2-CG 4.45Å; Y266-P272 HydrophobicContact CE1-CG 3.55Å; Y266-P272 HydrophobicContact CE2-CG 4.09Å; Y266-P272 HydrophobicContact CG-CG 4.41Å; P272-L277 HydrophobicContact CB-CD2 4.2Å; P272-L277 HydrophobicContact CB-CG 4.46Å; P272-L277 HydrophobicContact CG-CD2 4.06Å
273D74.3Confident72.7Confident116 Ų11678.1 Ų78.162%0.6240%0.401SS*.PPolyproline II helixtrans-65.3156.5179.4-68.6-30.8000111.7L271 Y275 L276 L277L271-D273 PolarHBondContact O-N 2.8Å; D273-Y275 PolarHBondContact O-N 2.95Å; D273-L276 PolarHBondContact O-N 2.94Å; D273-L277 PolarHBondContact O-N 3.34Å
274N73.2Confident70.7Confident76 Ų7680.6 Ų80.641%0.40641%0.41SS..Hα-helixtrans-54.5-31.3-178.1-73.6-17.2000113.6L277 E278 G299N274-L277 PolarHBondContact O-N 2.74Å; N274-E278 WeakPolarHBondContact O-CB 3.38Å; N274-E278 PolarHBondContact O-N 3.31Å; N274-G299 PolarHBondContact ND2-O 3.02Å; N274-G299 PolarHBondContact OD1-O 2.93Å
275Y72.8Confident68.4Low192 Ų19286 Ų8675%0.75344%0.438SS*.Hα-helixtrans-65.3-41.2176-176-98.1000112.8D273 E278 A279D273-Y275 PolarHBondContact O-N 2.95Å; Y275-E278 PolarHBondContact O-N 3.07Å; Y275-A279 WeakPolarHBondContact O-CB 3.28Å; Y275-A279 PolarHBondContact O-N 3.5Å
276L70.9Confident65.9Low89 Ų8990.8 Ų90.847%0.46646%0.464SS..Hα-helixtrans-69.4-37.1177.2-71.3170.9000111.4D273 E278 A279 T280D273-L276 PolarHBondContact O-N 2.94Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-A279 PolarHBondContact O-N 3.3Å; L276-T280 PolarHBondContact O-N 2.65Å; L276-T280 PolarHBondContact O-OG1 3.13Å
277L74.2Confident63.6Low28 Ų2893 Ų9315%0.14748%0.482CS..Hα-helixtrans-66.1-35.8175.3-63.8176.2000112.3Y266 P272 D273 N274 T280 R281 R303Y266-L277 WeakPolarHBondContact OH-CD2 3.5Å; P272-L277 HydrophobicContact CB-CD2 4.2Å; P272-L277 HydrophobicContact CB-CG 4.46Å; P272-L277 HydrophobicContact CG-CD2 4.06Å; D273-L277 PolarHBondContact O-N 3.34Å; N274-L277 PolarHBondContact O-N 2.74Å; L277-T280 PolarHBondContact O-OG1 3.49Å; L277-T280 VanDerWaalsContact O-OG1 3.08Å; L277-R281 PolarHBondContact O-N 2.92Å; L277-R303 HydrophobicContact CD1-CG 4.37Å
278E70.7Confident61.2Low75 Ų7592 Ų9235%0.3549%0.49SS..Hα-helixtrans-75.8-34.1177.8-165.257.4-152.800112.2N274 Y275 L276 T280 R281 R282N274-E278 WeakPolarHBondContact O-CB 3.38Å; N274-E278 PolarHBondContact O-N 3.31Å; Y275-E278 PolarHBondContact O-N 3.07Å; L276-E278 VanDerWaalsContact C-N 3.34Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 3.07Å; E278-R281 WeakPolarHBondContact O-CB 3.46Å; E278-R281 PolarHBondContact O-N 3.08Å; E278-R281 VanDerWaalsContact O-N 3.08Å; E278-R282 PolarHBondContact O-N 3.13Å
279A70.6Confident59.5Low60 Ų6093 Ų9350%0.49650%0.501SS..Hα-helixtrans-61.9-37.8176.500000112.7Y275 L276 R281Y275-A279 WeakPolarHBondContact O-CB 3.28Å; Y275-A279 PolarHBondContact O-N 3.5Å; L276-A279 PolarHBondContact O-N 3.3Å; A279-R281 VanDerWaalsContact C-N 3.32Å
280T70.8Confident58Low47 Ų4793.1 Ų93.129%0.28850%0.502SS..Hα-helixtrans-77.2-17.4175.149.70000113L265 L276 L277 E278 Y284L265-T280 HydrophobicContact CD1-CG2 4.07Å; L276-T280 PolarHBondContact O-N 2.65Å; L276-T280 PolarHBondContact O-OG1 3.13Å; L277-T280 PolarHBondContact O-OG1 3.49Å; L277-T280 VanDerWaalsContact O-OG1 3.08Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 3.07Å; T280-Y284 WeakPolarHBondContact O-CE2 3.48Å
281R63Low56.3Low92 Ų9293 Ų9335%0.34750%0.504SS..Hα-helixtrans-79.6-24.9176.8-95.1179.9148.7-147.1-1.3115.3L277 E278 A279 S283 Y284L277-R281 PolarHBondContact O-N 2.92Å; E278-R281 WeakPolarHBondContact O-CB 3.46Å; E278-R281 PolarHBondContact O-N 3.08Å; E278-R281 VanDerWaalsContact O-N 3.08Å; A279-R281 VanDerWaalsContact C-N 3.32Å; R281-S283 PolarHBondContact O-N 3.32Å; R281-Y284 WeakPolarHBondContact O-CB 3.46Å; R281-Y284 VanDerWaalsContact O-CD2 3.29Å; R281-Y284 WeakPolarHBondContact O-CD2 3.44Å; R281-Y284 PolarHBondContact O-N 3.05Å
282R53.6Low55Low197 Ų19799.6 Ų99.674%0.74353%0.533SS*.THydrogen-bonded Turntrans-62-16.3-176.5-77.1-175.5170.6-172-3.6114.5E278 Y284E278-R282 PolarHBondContact O-N 3.13Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.95Å
283S47.4Very low53.6Low73 Ų73107.6 Ų107.651%0.5157%0.569SS.*THydrogen-bonded Turntrans-69.7-21.4171.8-169.90000113.7E258 R281E258-S283 PolarHBondContact OE1-OG 3.35Å; R281-S283 PolarHBondContact O-N 3.32Å
284Y47.7Very low52Low53 Ų53111.1 Ų111.121%0.20858%0.582CS.*SBendtrans-86-21.7-172.6-65.9-97000114.4E259 T280 R281 R282 R307 I309E259-Y284 PolarHBondContact OE1-OH 3.33Å; T280-Y284 WeakPolarHBondContact O-CE2 3.48Å; R281-Y284 WeakPolarHBondContact O-CB 3.46Å; R281-Y284 VanDerWaalsContact O-CD2 3.29Å; R281-Y284 WeakPolarHBondContact O-CD2 3.44Å; R281-Y284 PolarHBondContact O-N 3.05Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.95Å; Y284-R307 PolarHBondContact OH-NH1 2.76Å; Y284-R307 VanDerWaalsContact OH-NH1 3.08Å; Y284-I309 HydrophobicContact CE1-CD1 4.5Å
285I42.7Very low50.5Low138 Ų138117.6 Ų117.671%0.70861%0.61SS**G310 helixtrans-76.8-25.3-174.1-61.6176.9000111.9C287I285-C287 VanDerWaalsContact C-N 3.26Å; I285-C287 PolarHBondContact O-N 2.87Å
286N37.3Very low48.7Very low159 Ų159110.9 Ų110.985%0.8560%0.599SS**G310 helixtrans-81.63.8-176.5-156.354.8000114.4
287C38.6Very low47.2Very low69 Ų69113.6 Ų113.647%0.46662%0.622SS.*G310 helixtrans-154.131.4-177.2-164.70000113.9I285 Y314I285-C287 VanDerWaalsContact C-N 3.26Å; I285-C287 PolarHBondContact O-N 2.87Å; C287-Y314 PolarHBondContact SG-OH 3.39Å
288G34.5Very low45.5Very low48 Ų48113.7 Ų113.750%0.49563%0.629SS.*  trans-171.8104.917700000113.2L290G288-L290 PolarHBondContact O-N 3.46Å; G288-L290 VanDerWaalsContact O-N 3.13Å
289S36.9Very low44.2Very low117 Ų117111.8 Ų111.882%0.81863%0.63SS**  trans-65110.2167.9-330000108.9
290L35Very low43.1Very low146 Ų146114.1 Ų114.176%0.76464%0.638SS**  trans-72.9138.6158.8-91.5150.2000107.8G288 E292G288-L290 PolarHBondContact O-N 3.46Å; G288-L290 VanDerWaalsContact O-N 3.13Å; L290-E292 PolarHBondContact O-N 2.98Å
291S34.4Very low42.2Very low109 Ų109118.9 Ų118.976%0.76266%0.657SS**  trans-59.1124162.646.80000108.3E293S291-E293 PolarHBondContact O-N 3.19Å
292E39.4Very low41.8Very low196 Ų196118 Ų11892%0.91666%0.659SS**  trans-65.189179.3-62177.6149.200110.8L290L290-E292 PolarHBondContact O-N 2.98Å
293E38.4Very low42.1Very low180 Ų180112.4 Ų112.484%0.84164%0.638SS**  trans-139.9116.9156.6-69.9-165.3164.800110.4S291S291-E293 PolarHBondContact O-N 3.19Å
294E39.2Very low42.8Very low190 Ų190116 Ų11689%0.88865%0.647SS**  trans79.288.5159-56.4-135135.900119.9G296E294-G296 PolarHBondContact O-N 3.3Å
295E43Very low44.1Very low211 Ų211122.2 Ų122.299%0.98667%0.67SS**  trans-73.795.3146.1-77.5-162.4148.400109.7
296G34.3Very low46Very low51 Ų51117.5 Ų117.553%0.52665%0.647SS.*  trans-104.3145.9166.500000111.9E294 G298E294-G296 PolarHBondContact O-N 3.3Å; G296-G298 PolarHBondContact O-N 3.17Å; G296-G298 VanDerWaalsContact O-N 3.09Å
297P40.3Very low48.3Very low147 Ų147112.8 Ų112.896%0.95562%0.618SS**  trans-80.991.9-177.132.7-31.5000110.4
298G37.2Very low50.6Low29 Ų29117.2 Ų117.230%0.29963%0.625SS.*  trans-154.683.4-177.300000114.3G296 T300 E301G296-G298 PolarHBondContact O-N 3.17Å; G296-G298 VanDerWaalsContact O-N 3.09Å; G298-T300 PolarHBondContact O-N 2.92Å; G298-E301 PolarHBondContact O-N 3.5Å; G298-E301 VanDerWaalsContact O-N 3.15Å
299G44.8Very low53.1Low35 Ų35116.2 Ų116.236%0.36161%0.607SS.*THydrogen-bonded Turntrans-62.4-11.6177.900000115.5N274N274-G299 PolarHBondContact ND2-O 3.02Å; N274-G299 PolarHBondContact OD1-O 2.93Å
300T45.7Very low55.2Low109 Ų109116.3 Ų116.367%0.66960%0.595SS**THydrogen-bonded Turntrans-83.4-32176.5-41.30000111.8G298 R303G298-T300 PolarHBondContact O-N 2.92Å; T300-R303 WeakPolarHBondContact O-CB 3.26Å; T300-R303 PolarHBondContact O-N 3.1Å
301E52.7Low57.3Low147 Ų147111.4 Ų111.469%0.68757%0.569SS**G310 helixtrans-75.3-34.5-172.1-148.4174.6-169.400112.3G298 R303 E304 R305G298-E301 PolarHBondContact O-N 3.5Å; G298-E301 VanDerWaalsContact O-N 3.15Å; E301-R303 PolarHBondContact O-N 2.97Å; E301-E304 PolarHBondContact O-N 3.41Å; E301-R305 PolarHBondContact O-N 2.93Å
302L55.5Low58.7Low74 Ų74114.8 Ų114.839%0.38757%0.57SS.*G310 helixtrans-54.4-34172.7-99.2146.6000113.4
303R59.1Low59.5Low79 Ų79112.7 Ų112.730%0.29855%0.554SS.*G310 helixtrans-80.1-24.6-171.7-156.7-167.1146.1157.82.1112.5R228 L271 L277 T300 E301R228-R303 VanDerWaalsContact CZ-O 3.28Å; R228-R303 PolarHBondContact NH1-O 3.43Å; R228-R303 PolarHBondContact NH2-O 2.82Å; L271-R303 VanDerWaalsContact CD1-CZ 3.47Å; L277-R303 HydrophobicContact CD1-CG 4.37Å; T300-R303 WeakPolarHBondContact O-CB 3.26Å; T300-R303 PolarHBondContact O-N 3.1Å; E301-R303 PolarHBondContact O-N 2.97Å
304E61.5Low59.7Low150 Ų150112.9 Ų112.970%0.70155%0.548SS*.THydrogen-bonded Turntrans-95.9-14.3-175.7-69.6-178.3170.100113E301 V306E301-E304 PolarHBondContact O-N 3.41Å; E304-V306 PolarHBondContact O-N 2.87Å
305R76.4Confident59.7Low182 Ų182107.9 Ų107.969%0.68753%0.534SS*.  trans-75.5121.5-176.2-169.5170.8-179.8152.5-1.6112.6E301 R307E301-R305 PolarHBondContact O-N 2.93Å; R305-R307 PolarHBondContact O-N 3.16Å
306V82Confident59.6Low39 Ų39104.3 Ų104.324%0.23653%0.527CS..  trans-70.9123.9169-174.80000109.7K229 E304 R308K229-V306 HydrophobicContact CB-CG2 4.27Å; K229-V306 HydrophobicContact CD-CG1 4.18Å; K229-V306 HydrophobicContact CG-CG1 4.06Å; E304-V306 PolarHBondContact O-N 2.87Å; V306-R308 PolarHBondContact O-N 3.38Å
307R86.2Confident60.1Low61 Ų61110 Ų11023%0.2353%0.534CS..EExtended strand (participates in β ladder)trans-81.9108.7176.8-66.9176.2-68.9119.79.6110.1L230 A231 E232 E259 Y284 R305L230-R307 PolarHBondContact O-N 2.96Å; A231-R307 CarbonylContact C-O 3.52Å; A231-R307 WeakPolarHBondContact CA-O 3.32Å; A231-R307 HydrophobicContact CB-CB 4.03Å; E232-R307 PolarHBondContact N-O 3.45Å; E259-R307 IonicContact OE1-CZ 3.79Å; E259-R307 IonicContact OE1-NH1 3.77Å; E259-R307 PolarHBondContact OE1-NH1 2.88Å; E259-R307 IonicContact OE2-CZ 3.88Å; E259-R307 IonicContact OE2-NH1 3.12Å; E259-R307 PolarHBondContact OE2-NH1 3.08Å; E259-R307 IonicContact OE2-NH2 2.77Å; E259-R307 PolarHBondContact OE2-NH2 3.31Å; Y284-R307 PolarHBondContact OH-NH1 2.76Å; Y284-R307 VanDerWaalsContact OH-NH1 3.08Å; R305-R307 PolarHBondContact O-N 3.16Å
308R86.7Confident60Low162 Ų162110.2 Ų110.261%0.61153%0.526SS*.EExtended strand (participates in β ladder)trans-96.1112.6177.8-59.3-164.9163.598.60.2111E232 V306E232-R308 HydrophobicContact CG-CB 4.2Å; E232-R308 HydrophobicContact CG-CG 3.93Å; E232-R308 WeakPolarHBondContact OE1-CD 3.33Å; E232-R308 WeakPolarHBondContact OE1-CG 3.43Å; E232-R308 IonicContact OE1-CZ 2.83Å; E232-R308 IonicContact OE1-NE 2.91Å; E232-R308 PolarHBondContact OE1-NE 2.93Å; V306-R308 PolarHBondContact O-N 3.38Å
309I85.4Confident60.2Low26 Ų26116.5 Ų116.513%0.13355%0.553CS.*EExtended strand (participates in β ladder)trans-105.4114.9-176.1-59.5165.9000108.8E232 V233 C234 E259 Y284 I311E232-I309 PolarHBondContact O-N 3.01Å; V233-I309 HydrophobicContact CG2-CB 4.08Å; V233-I309 HydrophobicContact CG2-CD1 3.86Å; V233-I309 HydrophobicContact CG2-CG2 4.44Å; C234-I309 PolarHBondContact N-O 3.18Å; E259-I309 HydrophobicContact CG-CD1 3.93Å; E259-I309 VanDerWaalsContact OE1-CD1 3.31Å; E259-I309 WeakPolarHBondContact OE1-CD1 3.5Å; Y284-I309 HydrophobicContact CE1-CD1 4.5Å; I309-I311 HydrophobicContact CG2-CD1 4.45Å
310H82.7Confident59.9Low119 Ų119124.3 Ų124.355%0.55157%0.572SS**EExtended strand (participates in β ladder)trans-106.5137.2173.5-63.379000109.3K312H310-K312 PolarHBondContact O-N 3.08Å; H310-K312 VanDerWaalsContact O-N 3.15Å
311I78.5Confident59.8Low44 Ų44125 Ų12523%0.22658%0.579CS.*  trans-79101.8179.4-51.8-48.7000109.1V233 E250 P252 I309V233-I311 HydrophobicContact CG1-CD1 4.41Å; E250-I311 HydrophobicContact CB-CB 4.44Å; E250-I311 HydrophobicContact CB-CG1 4.36Å; E250-I311 HydrophobicContact CB-CG2 4.16Å; E250-I311 HydrophobicContact CG-CB 4.31Å; E250-I311 HydrophobicContact CG-CG2 4.01Å; P252-I311 HydrophobicContact CB-CD1 3.36Å; P252-I311 HydrophobicContact CB-CG1 4.01Å; P252-I311 HydrophobicContact CG-CD1 3.71Å; P252-I311 HydrophobicContact CG-CG1 4.03Å; I309-I311 HydrophobicContact CG2-CD1 4.45Å
312K63.1Low59.3Low180 Ų180126 Ų12678%0.78359%0.587SS**PPolyproline II helixtrans-82.2149.9171.1-73.7-174.9179.1178.40110.3H310H310-K312 PolarHBondContact O-N 3.08Å; H310-K312 VanDerWaalsContact O-N 3.15Å
313R57.5Low58.9Low151 Ų151126 Ų12657%0.5761%0.605SS**PPolyproline II helixtrans-85.2144168.5-73.1-176176.6-165-10.6111.2V239V239-R313 VanDerWaalsContact CG2-NH2 3.33Å
314Y41.8Very low58Low185 Ų185135 Ų13573%0.72565%0.65SS**PPolyproline II helixtrans-72.7117.7145.9-76-87.5000107.7C287 T316C287-Y314 PolarHBondContact SG-OH 3.39Å; Y314-T316 PolarHBondContact O-N 3.3Å
315S39.4Very low57.9Low85 Ų85134.3 Ų134.359%0.59465%0.647SS**  trans-71.3109.3170.5-174.60000107.7Y317S315-Y317 PolarHBondContact O-N 3.35Å
316T40.1Very low56.9Low136 Ų136131.7 Ų131.783%0.83465%0.645SS**THydrogen-bonded Turntrans-75.232.2175.956.50000112.5Y314Y314-T316 PolarHBondContact O-N 3.3Å
317Y45.1Very low55.5Low171 Ų171136.9 Ų136.967%0.67167%0.668SS**THydrogen-bonded Turntrans-109.7-1-177.1-96.9-80.2000114.7S315S315-Y317 PolarHBondContact O-N 3.35Å
318D39.3Very low53.7Low150 Ų150141.4 Ų141.480%0.80269%0.694SS**  trans-95.36.3-177.2-87.5-30.2000115.7
319D39.8Very low51.6Low162 Ų162140.1 Ų140.187%0.86670%0.699SS**  trans-103.853.5171.8-74.7-40000112
320R39.5Very low49.4Very low199 Ų199147.7 Ų147.775%0.75174%0.737SS**  trans-101.4111.8154.6-73.5-168.3-163.7-174.56.5108.1L322R320-L322 PolarHBondContact O-N 3.18Å
321P42.4Very low47Very low124 Ų124149.7 Ų149.781%0.80575%0.75SS**PPolyproline II helixtrans-60.7118.4168.124.1-29.7000107.8G323P321-G323 PolarHBondContact O-N 3.08Å
322L42.9Very low44.6Very low167 Ų167157.8 Ų157.887%0.87479%0.79SS**PPolyproline II helixtrans-55.4120.3165.3-76160.5000106.9R320R320-L322 PolarHBondContact O-N 3.18Å
323G47.5Very low43Very low73 Ų73156 Ų15675%0.75379%0.791SS**PPolyproline II helixtrans-58.1145.3176.700000111.2P321P321-G323 PolarHBondContact O-N 3.08Å
324H40.9Very low41.7Very low269 Ų269156.5 Ų156.5100%1.24581%0.811SS**  trans-105.50158.8-89.5-50.1000109.5

Retrieved 324 of 324 residues in 458.9 ms (Link to these results)