A0A087X1S7_HUMAN Loading...

CD48 antigen

AlphaFold DB , UniProt , Accession A0A087X1S7, Species HUMAN (Homo sapiens, Human), Gene CD48, Length 252 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
1M33.3Very low37.4Very low236 Ų236149 Ų149100%1.16383%0.832SS**  0123.60-75.4160.663.900107.5
2C32.8Very low37.9Very low126 Ų126149 Ų14985%0.85183%0.827SS**  trans27.5140.3157.4-60.80000119.3
3S31.2Very low38.5Very low89 Ų89149.7 Ų149.762%0.62282%0.821SS**  cis170.5150.62.4-109.70000106.6
4R39.5Very low39.2Very low249 Ų249149.1 Ų149.194%0.9482%0.815SS**  trans63.7135.1144.1-65170.3170.6-179.2-5117.5
5G37.2Very low39.8Very low72 Ų72148.3 Ų148.374%0.74281%0.808SS**  cis-176.1172.610.500000111.2
6W36.8Very low40.6Very low244 Ų244149 Ų14992%0.92481%0.81SS**  trans-43.9162173-59.8-39.9000114.3
7D38Very low41.1Very low136 Ų136149.2 Ų149.273%0.72781%0.809SS**  cis-177171.335.3-130.3-24.1000111.5
8S37.3Very low42Very low104 Ų104147.1 Ų147.173%0.72780%0.804SS**  trans79.5132.3153.7-530000118.3
9C39.9Very low42.4Very low116 Ų116147.6 Ų147.678%0.78481%0.805SS**  cis-150.4120.519.5-96.30000108.9A11C9-A11 PolarHBondContact O-N 2.67Å
10L40.3Very low42.8Very low178 Ų178145 Ų14593%0.93280%0.798SS**  trans-89.192.5155.4-73.2174.1000106.8L12L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.18Å
11A44.9Very low43.1Very low89 Ų89145 Ų14574%0.73680%0.797SS**  trans-6993.2169.200000108.1C9 E13C9-A11 PolarHBondContact O-N 2.67Å; A11-E13 VanDerWaalsContact C-N 3.33Å; A11-E13 PolarHBondContact O-N 3.14Å; A11-E13 VanDerWaalsContact O-N 3.15Å
12L44.3Very low43.6Very low149 Ų149140.7 Ų140.778%0.7878%0.777SS**  trans-78.188.2166.9-154.494.2000106.8L10 L14L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.18Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 HydrophobicContact CD2-CD1 4.24Å; L12-L14 HydrophobicContact CD2-CG 4.46Å; L12-L14 PolarHBondContact O-N 3.43Å
13E44.7Very low44.1Very low158 Ų158140.9 Ų140.974%0.73877%0.774SS**  trans-67.793.1169.9-77-152.7157.600109.5A11 L15A11-E13 VanDerWaalsContact C-N 3.33Å; A11-E13 PolarHBondContact O-N 3.14Å; A11-E13 VanDerWaalsContact O-N 3.15Å; E13-L15 PolarHBondContact O-N 2.93Å
14L48.3Very low44.6Very low141 Ų141141.6 Ų141.674%0.73878%0.775SS**  trans-6986.9158.8-91.3148.1000107.8L12 L16L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 HydrophobicContact CD2-CD1 4.24Å; L12-L14 HydrophobicContact CD2-CG 4.46Å; L12-L14 PolarHBondContact O-N 3.43Å; L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.72Å
15L48.3Very low44.7Very low137 Ų137134.8 Ų134.872%0.71777%0.766SS**  trans-64.991.3165.7-70.8169.9000108.2E13 L17E13-L15 PolarHBondContact O-N 2.93Å; L15-L17 PolarHBondContact O-N 3.3Å
16L53.2Low45.4Very low160 Ų160138.1 Ų138.184%0.83877%0.765SS**  trans-63.389.9162.7-71.2169.6000107.3L14 P18L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.72Å; L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å; L16-P18 VanDerWaalsContact O-N 3.16Å
17L48.9Very low45.8Very low153 Ų153135 Ų13580%0.80176%0.761SS**  trans-60.2116.7166.8-76.1166.5000106.9L15 L19L15-L17 PolarHBondContact O-N 3.3Å; L17-L19 PolarHBondContact O-N 3.22Å
18P56.4Low46.7Very low110 Ų110130.4 Ų130.471%0.71475%0.746SS**  trans-61.3118169.625.2-29.3000105.4L16 S20L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å; L16-P18 VanDerWaalsContact O-N 3.16Å; P18-S20 PolarHBondContact O-N 3.06Å
19L50.3Low48.4Very low158 Ų158129.3 Ų129.383%0.82773%0.729SS**  trans-63.686169-157.580.1000105.4L17 L21L17-L19 PolarHBondContact O-N 3.22Å; L19-L21 PolarHBondContact O-N 2.88Å
20S50.6Low50.7Low95 Ų95127.6 Ų127.666%0.66471%0.712SS**  trans-63.395.8170.141.80000104.7P18 L22P18-S20 PolarHBondContact O-N 3.06Å; S20-L22 PolarHBondContact O-N 3.31Å
21L49Very low53.2Low146 Ų146121.2 Ų121.276%0.76468%0.68SS**  trans-58.290.7158.3-70.6169.2000104.6L19 V23L19-L21 PolarHBondContact O-N 2.88Å; L21-V23 PolarHBondContact O-N 3.36Å
22L43.2Very low55.5Low144 Ų144122.9 Ų122.975%0.75467%0.672SS**  trans-58.887.6155.6-81.5156.9000104S20 T24S20-L22 PolarHBondContact O-N 3.31Å; L22-T24 HydrophobicContact CB-CG2 4.4Å; L22-T24 PolarHBondContact O-N 3.18Å
23V43.7Very low57.9Low130 Ų130118 Ų11879%0.78865%0.646SS**  trans-61.588.3152.5178.80000102.7L21 S25L21-V23 PolarHBondContact O-N 3.36Å; V23-S25 PolarHBondContact O-N 2.92Å
24T41.2Very low60.4Low104 Ų104113.6 Ų113.664%0.63863%0.63SS**  trans-59.5104.7165.246.40000103.3L22 I26L22-T24 HydrophobicContact CB-CG2 4.4Å; L22-T24 PolarHBondContact O-N 3.18Å; T24-I26 PolarHBondContact O-N 3.04Å
25S42.2Very low62.6Low107 Ų107107.9 Ų107.975%0.74860%0.601SS**  trans-55.398.4164.8178.30000104.7V23 Q27V23-S25 PolarHBondContact O-N 2.92Å; S25-Q27 PolarHBondContact O-N 2.88Å
26I51.9Low64.9Low141 Ų141103.9 Ų103.972%0.72358%0.582SS**  trans-64.2102.3170.6-53.5176.7000102.3T24 G28T24-I26 PolarHBondContact O-N 3.04Å; I26-G28 PolarHBondContact O-N 3.41Å
27Q46Very low66.9Low179 Ų17997.2 Ų97.284%0.83655%0.549SS*.  trans-5892.9178.2-173.3167.1-22.800106.6S25 H29S25-Q27 PolarHBondContact O-N 2.88Å; Q27-H29 PolarHBondContact O-N 2.95Å; Q27-H29 VanDerWaalsContact O-N 3.08Å
28G57.2Low69.2Low40 Ų4092 Ų9241%0.41253%0.531SS..  trans-58.2119.2-171.300000108.5I26 L30I26-G28 PolarHBondContact O-N 3.41Å; G28-L30 PolarHBondContact O-N 2.91Å
29H72.3Confident71.1Confident80 Ų8088.7 Ų88.737%0.3751%0.511SS..  trans-63.4103.8179.2-169.473000108.3Q27 V31 K122Q27-H29 PolarHBondContact O-N 2.95Å; Q27-H29 VanDerWaalsContact O-N 3.08Å; H29-V31 WeakPolarHBondContact NE2-CG2 3.4Å; H29-K122 PolarHBondContact O-N 2.9Å; H29-K122 VanDerWaalsContact O-O 3.09Å
30L87.8Confident73.4Confident81 Ų8186.9 Ų86.942%0.42450%0.502SS..EExtended strand (participates in β ladder)trans-103.3109.5177.1-179.565.3000109.2G28 T106 K122 K124G28-L30 PolarHBondContact O-N 2.91Å; L30-T106 HydrophobicContact CD1-CG2 4.17Å; L30-K122 WeakPolarHBondContact CA-O 2.94Å; L30-K122 HydrophobicContact CD1-CB 3.57Å; L30-K124 HydrophobicContact CD1-CB 4.13Å
31V92.4Very high75.6Confident43 Ų4382.9 Ų82.926%0.26147%0.474SS..EExtended strand (participates in β ladder)trans-94.2134.3174.8-178.10000109.3H29 K122 I123 K124H29-V31 WeakPolarHBondContact NE2-CG2 3.4Å; V31-K122 PolarHBondContact N-O 2.77Å; V31-I123 HydrophobicContact CB-CG1 4.32Å; V31-I123 HydrophobicContact CB-CG2 4.5Å; V31-I123 CarbonylContact O-C 3.56Å; V31-I123 WeakPolarHBondContact O-CA 3.16Å; V31-K124 PolarHBondContact O-N 3.3Å
32H94.4Very high77.9Confident124 Ų12478.4 Ų78.457%0.57445%0.453SS*.EExtended strand (participates in β ladder)trans-100.2128.2173.3-75.4-112.9000109.9
33M94.4Very high80.5Confident47 Ų4771.5 Ų71.523%0.23242%0.417CS..EExtended strand (participates in β ladder)trans-130.5125179.1-176.5178.1-7700109.5V35 V41 L43 I123 K124 L125 Q126M33-V35 HydrophobicContact CG-CG1 3.93Å; M33-V35 HydrophobicContact SD-CG1 4.2Å; M33-V41 HydrophobicContact SD-CG2 3.36Å; M33-V41 WeakPolarHBondContact SD-CG2 3.49Å; M33-L43 HydrophobicContact SD-CD2 4.1Å; M33-I123 HydrophobicContact CB-CG2 4.35Å; M33-K124 PolarHBondContact N-O 3.08Å; M33-L125 HydrophobicContact CB-CD1 4.28Å; M33-L125 HydrophobicContact CG-CD1 4.12Å; M33-L125 HydrophobicContact SD-CD1 4.12Å; M33-Q126 PolarHBondContact O-N 2.7Å
34T95.9Very high82.9Confident65 Ų6569.5 Ų69.540%0.39940%0.401SS..EExtended strand (participates in β ladder)trans-110130.1173.7-55.10000109.9Q126 L128 V202T34-Q126 CarbonylContact C-O 3.53Å; T34-Q126 WeakPolarHBondContact CA-O 3.36Å; T34-L128 HydrophobicContact CG2-CD1 3.86Å; T34-L128 HydrophobicContact CG2-CG 4.17Å; T34-V202 HydrophobicContact CG2-CG1 3.79Å
35V96Very high85.2Confident21 Ų2165.2 Ų65.213%0.12738%0.375CS..EExtended strand (participates in β ladder)trans-137.3159.8-177.2-60.80000112M33 V41 V99 L125 Q126 V127 L128M33-V35 HydrophobicContact CG-CG1 3.93Å; M33-V35 HydrophobicContact SD-CG1 4.2Å; V35-V41 HydrophobicContact CG1-CG2 3.9Å; V35-V99 HydrophobicContact CG2-CG2 3.88Å; V35-L125 HydrophobicContact CG1-CD1 4.23Å; V35-L125 HydrophobicContact CG2-CD1 3.75Å; V35-L125 HydrophobicContact CG2-CG 4.48Å; V35-Q126 PolarHBondContact N-O 2.9Å; V35-V127 HydrophobicContact CG2-CB 4.31Å; V35-V127 HydrophobicContact CG2-CG1 4.33Å; V35-V127 HydrophobicContact CG2-CG2 3.82Å; V35-V127 WeakPolarHBondContact O-CA 3.09Å; V35-L128 PolarHBondContact O-N 2.86Å
36V95.6Very high87.3Confident53 Ų5364.9 Ų64.932%0.32137%0.372SS..EExtended strand (participates in β ladder)trans-81.4136.2177.1-172.60000109.8S39 L128 P130 V202V36-S39 VanDerWaalsContact O-CB 3.29Å; V36-S39 WeakPolarHBondContact O-CB 3.19Å; V36-S39 PolarHBondContact O-N 2.77Å; V36-S39 PolarHBondContact O-OG 2.82Å; V36-L128 WeakPolarHBondContact CA-O 3.35Å; V36-P130 HydrophobicContact CG1-CG 3.74Å; V36-V202 HydrophobicContact CG2-CB 3.74Å; V36-V202 HydrophobicContact CG2-CG1 4.21Å; V36-V202 HydrophobicContact CG2-CG2 4.37Å
37S96.5Very high88.9Confident21 Ų2163.1 Ų63.115%0.14736%0.361CS..THydrogen-bonded Turntrans-55.9142.3170.9-170.20000112.3S39 L128 D129S37-S39 VanDerWaalsContact C-N 3.26Å; S37-S39 PolarHBondContact O-N 2.78Å; S37-L128 PolarHBondContact N-O 2.76Å; S37-D129 WeakPolarHBondContact CB-OD1 3.36Å; S37-D129 PolarHBondContact OG-OD1 2.97Å
38G96.4Very high91Very high42 Ų4259.7 Ų59.743%0.43336%0.356SS..THydrogen-bonded Turntrans80.5-8.8-175.100000115.4V99G38-V99 PolarHBondContact N-O 3.31Å
39S96.6Very high92.6Very high42 Ų4258.8 Ų58.829%0.29434%0.342SS..  trans-79.3171.5177.771.90000113.1V36 S37 K98 V99V36-S39 VanDerWaalsContact O-CB 3.29Å; V36-S39 WeakPolarHBondContact O-CB 3.19Å; V36-S39 PolarHBondContact O-N 2.77Å; V36-S39 PolarHBondContact O-OG 2.82Å; S37-S39 VanDerWaalsContact C-N 3.26Å; S37-S39 PolarHBondContact O-N 2.78Å; S39-K98 CarbonylContact O-C 3.57Å; S39-K98 VanDerWaalsContact O-CA 3.25Å; S39-K98 WeakPolarHBondContact O-CA 3.47Å; S39-K98 PolarHBondContact O-N 3.24Å; S39-K98 VanDerWaalsContact O-N 3.08Å; S39-V99 WeakPolarHBondContact O-CG2 3.41Å; S39-V99 PolarHBondContact O-N 3.16Å
40N97.8Very high93.4Very high120 Ų12055.8 Ų55.864%0.64233%0.33SS*.  trans-99.4140.9169-62.7-18.7000108.9I96 S97 K98N40-I96 WeakPolarHBondContact CA-O 3.21Å; N40-S97 VanDerWaalsContact OD1-CA 3.24Å; N40-S97 WeakPolarHBondContact OD1-CA 3.36Å; N40-S97 WeakPolarHBondContact OD1-CB 3.47Å; N40-K98 PolarHBondContact OD1-N 3.21Å
41V97.1Very high93.2Very high10 Ų1060 Ų606%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-128150.6179.471.40000110.9M33 V35 L43 Y95 I96 V99 L125M33-V41 HydrophobicContact SD-CG2 3.36Å; M33-V41 WeakPolarHBondContact SD-CG2 3.49Å; V35-V41 HydrophobicContact CG1-CG2 3.9Å; V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG2-CD2 4.08Å; V41-Y95 WeakPolarHBondContact O-CA 3.5Å; V41-I96 HydrophobicContact CG1-CB 3.86Å; V41-I96 HydrophobicContact CG1-CD1 4.45Å; V41-I96 HydrophobicContact CG1-CG1 4.26Å; V41-I96 PolarHBondContact N-O 3.48Å; V41-I96 PolarHBondContact O-N 2.88Å; V41-V99 HydrophobicContact CB-CG1 4.32Å; V41-V99 HydrophobicContact CG1-CG1 3.48Å; V41-V99 VanDerWaalsContact CG1-CG1 3.48Å; V41-L125 HydrophobicContact CG1-CD2 4.43Å; V41-L125 HydrophobicContact CG2-CD1 4.26Å
42T97.4Very high92.9Very high52 Ų5263.1 Ų63.132%0.31936%0.363SS..EExtended strand (participates in β ladder)trans-117.9116.9170.9-55.50000108.1A93 Y95T42-A93 HydrophobicContact CG2-CB 3.81Å; T42-Y95 HydrophobicContact CG2-CD1 3.97Å; T42-Y95 HydrophobicContact CG2-CE1 3.69Å; T42-Y95 HydrophobicContact CG2-CE2 4.42Å; T42-Y95 HydrophobicContact CG2-CG 4.49Å; T42-Y95 WeakPolarHBondContact OG1-CD1 3.42Å; T42-Y95 VanDerWaalsContact OG1-CE1 3.3Å; T42-Y95 WeakPolarHBondContact OG1-CE1 3.47Å
43L96.8Very high92.7Very high0 Ų059.6 Ų59.60%035%0.345CS..EExtended strand (participates in β ladder)trans-89.7112.4172.3-54-172.3000107.8M33 V41 W58 A93 L94 I96 Y107 I123 L125M33-L43 HydrophobicContact SD-CD2 4.1Å; V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG2-CD2 4.08Å; L43-W58 HydrophobicContact CB-CH2 3.84Å; L43-W58 HydrophobicContact CB-CZ2 4.3Å; L43-W58 HydrophobicContact CB-CZ3 4.28Å; L43-W58 HydrophobicContact CD1-CZ3 4.32Å; L43-A93 CarbonylContact O-C 3.57Å; L43-A93 VanDerWaalsContact O-CA 3.28Å; L43-A93 WeakPolarHBondContact O-CA 3.24Å; L43-L94 HydrophobicContact CB-CB 4.28Å; L43-L94 HydrophobicContact CD1-CD2 4.34Å; L43-L94 PolarHBondContact N-O 2.81Å; L43-L94 PolarHBondContact O-N 3.18Å; L43-I96 HydrophobicContact CD1-CD1 3.79Å; L43-I96 HydrophobicContact CG-CD1 4.26Å; L43-Y107 HydrophobicContact CD1-CD1 3.56Å; L43-Y107 HydrophobicContact CD1-CD2 3.9Å; L43-Y107 HydrophobicContact CD1-CE1 4.13Å; L43-Y107 HydrophobicContact CD1-CE2 4.46Å; L43-Y107 HydrophobicContact CD1-CG 3.42Å; L43-Y107 VanDerWaalsContact CD1-CG 3.42Å; L43-I123 HydrophobicContact CB-CD1 4.03Å; L43-I123 HydrophobicContact CD2-CG2 4.19Å; L43-L125 HydrophobicContact CD2-CD1 4.28Å
44N94.2Very high92.6Very high87 Ų8762.9 Ų62.947%0.46536%0.358SS..  trans-131.2158.1-17964-11.2000111.1A93 I123N44-A93 HydrophobicContact CB-CB 4.08Å; N44-I123 VanDerWaalsContact O-CD1 3.23Å; N44-I123 WeakPolarHBondContact O-CD1 3.3Å
45I90.4Very high92.6Very high15 Ų1561.6 Ų61.68%0.07735%0.347CS..  trans-91.4152.3169.355.1158.6000109.9E47 L49 M109 W121I45-E47 HydrophobicContact CD1-CB 4.42Å; I45-E47 WeakPolarHBondContact CD1-O 3.4Å; I45-E47 VanDerWaalsContact CG1-O 3.22Å; I45-E47 WeakPolarHBondContact CG1-O 3.5Å; I45-E47 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CD1-CD2 4.19Å; I45-M109 HydrophobicContact CB-CE 4.31Å; I45-M109 HydrophobicContact CD1-CE 3.71Å; I45-M109 HydrophobicContact CG1-CE 3.94Å; I45-M109 HydrophobicContact CG2-CE 3.41Å; I45-M109 VanDerWaalsContact CG2-CE 3.41Å; I45-M109 HydrophobicContact CG2-SD 4.41Å; I45-W121 HydrophobicContact CB-CG 4.35Å; I45-W121 HydrophobicContact CD1-CD2 4.46Å; I45-W121 HydrophobicContact CD1-CZ2 4.05Å; I45-W121 HydrophobicContact CG2-CB 3.57Å; I45-W121 HydrophobicContact CG2-CD2 3.84Å; I45-W121 HydrophobicContact CG2-CG 3.39Å
46S85.5Confident92.6Very high99 Ų9960.6 Ų60.669%0.69234%0.341SS*.SBendtrans-72.7-20.6177.6-48.80000112.7
47E87.1Confident92.6Very high104 Ų10458.3 Ų58.349%0.48633%0.327SS..SBendtrans-102.4165.7-176.5-59.9167.5-107.600110.7I45 W121I45-E47 HydrophobicContact CD1-CB 4.42Å; I45-E47 WeakPolarHBondContact CD1-O 3.4Å; I45-E47 VanDerWaalsContact CG1-O 3.22Å; I45-E47 WeakPolarHBondContact CG1-O 3.5Å; I45-E47 PolarHBondContact O-N 2.87Å; E47-W121 PolarHBondContact OE1-NE1 2.81Å
48S88.4Confident92.7Very high107 Ų10757.4 Ų57.475%0.74832%0.32SS*.PPolyproline II helixtrans-74.9153.6168.458.30000111
49L91.4Very high92.7Very high22 Ų2256.1 Ų56.112%0.11530%0.303CS..PPolyproline II helixtrans-56.8144.7172.2-72179.1000111.2I45 E51 Y53 L56 M109 V111I45-L49 HydrophobicContact CD1-CD2 4.19Å; L49-E51 PolarHBondContact O-N 2.84Å; L49-Y53 HydrophobicContact CB-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CE1 3.92Å; L49-L56 HydrophobicContact CD1-CD1 4Å; L49-L56 HydrophobicContact CD2-CD1 3.7Å; L49-M109 HydrophobicContact CD2-CE 3.91Å; L49-M109 HydrophobicContact CD2-SD 4.36Å; L49-V111 HydrophobicContact CD2-CG2 4.13Å
50P89.3Confident92.5Very high17 Ų1755.6 Ų55.611%0.1130%0.295CS..PPolyproline II helixtrans-55.8137.6173.7-23.932000111.7Y53 V111 K113 W121P50-Y53 WeakPolarHBondContact O-CD1 3.42Å; P50-V111 HydrophobicContact CG-CB 4.47Å; P50-V111 HydrophobicContact CG-CG1 4.02Å; P50-K113 HydrophobicContact CB-CD 4.29Å; P50-K113 HydrophobicContact CB-CG 4.35Å; P50-W121 HydrophobicContact CG-CH2 3.76Å
51E84.6Confident92.1Very high169 Ų16951.9 Ų51.979%0.7928%0.277SS*.THydrogen-bonded Turntrans-60.4148.2171.8-64.8-173.4179.500111.1L49 Y53L49-E51 PolarHBondContact O-N 2.84Å; E51-Y53 PolarHBondContact O-N 2.87Å
52N84.9Confident91.6Very high109 Ų10957.8 Ų57.858%0.58330%0.302SS*.THydrogen-bonded Turntrans56.632.9173-64.9-58000114.9K114N52-K114 HydrophobicContact CB-CD 4.32Å; N52-K114 WeakPolarHBondContact O-CG 3.33Å; N52-K114 PolarHBondContact O-N 3.31Å
53Y91.1Very high91Very high50 Ų5061.5 Ų61.520%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-67.8147.8171.276.9-86.3000111.9L49 P50 E51 L56 W69 P89 V111L49-Y53 HydrophobicContact CB-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CE1 3.92Å; P50-Y53 WeakPolarHBondContact O-CD1 3.42Å; E51-Y53 PolarHBondContact O-N 2.87Å; Y53-L56 HydrophobicContact CD2-CB 4.32Å; Y53-L56 HydrophobicContact CE2-CB 3.89Å; Y53-W69 AromaticContact CE2-CD1 3.79Å; Y53-W69 PolarHBondContact OH-NE1 3.44Å; Y53-P89 PolarHBondContact OH-O 3.36Å; Y53-V111 HydrophobicContact CD2-CG1 4.06Å; Y53-V111 HydrophobicContact CG-CG1 3.83Å
54K91.7Very high90.8Very high116 Ų11664.8 Ų64.850%0.50434%0.335SS..EExtended strand (participates in β ladder)trans-90.8-41.8176-178.6-176.1175.1-172.40110.7L112 K114K54-L112 PolarHBondContact N-O 2.63Å; K54-K114 HydrophobicContact CB-CG 4.28Å
55Q95.6Very high90.9Very high37 Ų3763.8 Ų63.817%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-146.4143-170.3178.2-178.4-14.400111T57 E68 W69 D70 V111 L112Q55-T57 PolarHBondContact NE2-OG1 3.35Å; Q55-E68 HydrophobicContact CG-CG 3.98Å; Q55-E68 PolarHBondContact NE2-OE2 3.15Å; Q55-W69 VanDerWaalsContact CA-O 3.31Å; Q55-W69 WeakPolarHBondContact CA-O 3.44Å; Q55-D70 HydrophobicContact CG-CB 4.4Å; Q55-V111 CarbonylContact O-C 3.58Å; Q55-V111 WeakPolarHBondContact O-CA 3.43Å; Q55-L112 HydrophobicContact CB-CB 4.23Å; Q55-L112 PolarHBondContact N-O 3.27Å; Q55-L112 PolarHBondContact O-N 3.44Å
56L95.8Very high91.2Very high0 Ų063.1 Ų63.10%032%0.323CS..EExtended strand (participates in β ladder)trans-125.3133.4170.8178.4158.9000108.5L49 Y53 E68 W69 L87 M109 R110 V111L49-L56 HydrophobicContact CD1-CD1 4Å; L49-L56 HydrophobicContact CD2-CD1 3.7Å; Y53-L56 HydrophobicContact CD2-CB 4.32Å; Y53-L56 HydrophobicContact CE2-CB 3.89Å; L56-E68 CarbonylContact O-C 3.55Å; L56-E68 WeakPolarHBondContact O-CA 3.32Å; L56-W69 HydrophobicContact CB-CB 4.37Å; L56-W69 PolarHBondContact N-O 2.82Å; L56-W69 PolarHBondContact O-N 3.31Å; L56-L87 HydrophobicContact CD2-CD1 3.99Å; L56-L87 HydrophobicContact CD2-CD2 4.16Å; L56-M109 HydrophobicContact CD1-CG 4.46Å; L56-M109 HydrophobicContact CD1-SD 3.91Å; L56-M109 HydrophobicContact CD2-CG 4.34Å; L56-M109 HydrophobicContact CG-CG 4.19Å; L56-M109 HydrophobicContact CG-SD 4.28Å; L56-R110 CarbonylContact C-O 3.6Å; L56-R110 WeakPolarHBondContact CA-O 3.43Å; L56-V111 HydrophobicContact CB-CG2 4.28Å; L56-V111 HydrophobicContact CD1-CG2 4.06Å; L56-V111 HydrophobicContact CG-CG2 4.01Å
57T96.4Very high91.7Very high6 Ų658.4 Ų58.44%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-133.8132178.5-480000110.5Q55 F59 K65 V67 E68 M109 R110Q55-T57 PolarHBondContact NE2-OG1 3.35Å; T57-F59 HydrophobicContact CG2-CD2 4.01Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.38Å; T57-F59 HydrophobicContact CG2-CZ 3.56Å; T57-K65 HydrophobicContact CG2-CD 3.96Å; T57-K65 HydrophobicContact CG2-CG 3.93Å; T57-V67 WeakPolarHBondContact CA-O 3.27Å; T57-E68 HydrophobicContact CG2-CB 4.29Å; T57-M109 WeakPolarHBondContact O-CA 3.38Å; T57-R110 PolarHBondContact N-O 3.15Å; T57-R110 PolarHBondContact O-N 2.91Å
58W97.5Very high92.2Very high1 Ų154.8 Ų54.80%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-98.7136.1167.4-84.597.6000110.7L43 I66 V67 G92 L94 I108 M109 I123L43-W58 HydrophobicContact CB-CH2 3.84Å; L43-W58 HydrophobicContact CB-CZ2 4.3Å; L43-W58 HydrophobicContact CB-CZ3 4.28Å; L43-W58 HydrophobicContact CD1-CZ3 4.32Å; W58-I66 HydrophobicContact CB-CB 4.39Å; W58-I66 PolarHBondContact O-N 2.83Å; W58-V67 HydrophobicContact CB-CG1 3.94Å; W58-V67 HydrophobicContact CG-CG1 4.46Å; W58-V67 PolarHBondContact N-O 3.21Å; W58-G92 PolarHBondContact NE1-O 3.19Å; W58-L94 HydrophobicContact CB-CD2 4.1Å; W58-L94 HydrophobicContact CD2-CB 3.9Å; W58-L94 HydrophobicContact CD2-CD2 4Å; W58-L94 HydrophobicContact CE3-CD2 4.23Å; W58-L94 HydrophobicContact CG-CB 4.07Å; W58-L94 HydrophobicContact CG-CD1 4.38Å; W58-L94 HydrophobicContact CG-CD2 3.96Å; W58-L94 HydrophobicContact CG-CG 4.37Å; W58-L94 HydrophobicContact CZ2-CB 4.12Å; W58-I108 CarbonylContact C-O 3.55Å; W58-I108 WeakPolarHBondContact CA-O 3.47Å; W58-M109 HydrophobicContact CD2-CB 3.98Å; W58-M109 HydrophobicContact CD2-CG 4.21Å; W58-M109 HydrophobicContact CE3-CB 4.02Å; W58-M109 HydrophobicContact CH2-CB 3.8Å; W58-M109 HydrophobicContact CZ2-CB 3.75Å; W58-M109 HydrophobicContact CZ2-CG 3.99Å; W58-M109 HydrophobicContact CZ2-SD 3.71Å; W58-M109 HydrophobicContact CZ3-CB 3.93Å; W58-I123 HydrophobicContact CH2-CD1 3.89Å
59F96.3Very high92.6Very high15 Ų1552 Ų527%0.06625%0.247CC..EExtended strand (participates in β ladder)trans-118.5141174.2-58.5-103.4000110T57 T61 Q64 K65 Y107 I108 R110T57-F59 HydrophobicContact CG2-CD2 4.01Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.38Å; T57-F59 HydrophobicContact CG2-CZ 3.56Å; F59-T61 VanDerWaalsContact CB-O 3.22Å; F59-T61 WeakPolarHBondContact CB-O 3.44Å; F59-Q64 CarbonylContact C-O 3.55Å; F59-Q64 WeakPolarHBondContact CA-O 3.38Å; F59-K65 HydrophobicContact CD1-CB 4.49Å; F59-K65 HydrophobicContact CD1-CG 3.75Å; F59-K65 HydrophobicContact CE1-CB 4.48Å; F59-K65 HydrophobicContact CE1-CD 4.23Å; F59-K65 HydrophobicContact CE1-CG 3.33Å; F59-K65 HydrophobicContact CZ-CD 4.48Å; F59-K65 HydrophobicContact CZ-CG 3.93Å; F59-Y107 WeakPolarHBondContact O-CA 3.34Å; F59-I108 HydrophobicContact CB-CB 4.27Å; F59-I108 PolarHBondContact N-O 2.87Å; F59-I108 PolarHBondContact O-N 2.82Å; F59-R110 HydrophobicContact CD2-CG 4.43Å; F59-R110 HydrophobicContact CE2-CB 4.12Å; F59-R110 HydrophobicContact CE2-CG 4.04Å
60Y93.4Very high92.7Very high31 Ų3153.5 Ų53.512%0.12225%0.254CS..EExtended strand (participates in β ladder)trans-93.5125.1156.1173.2-106000104.6Q64 K80 F81 E102 Y107Y60-Q64 PolarHBondContact N-O 2.84Å; Y60-Q64 VanDerWaalsContact O-CB 3.27Å; Y60-Q64 WeakPolarHBondContact O-CB 3.31Å; Y60-Q64 PolarHBondContact O-N 3.29Å; Y60-K80 VanDerWaalsContact CZ-NZ 3.32Å; Y60-K80 VanDerWaalsContact OH-CE 3.26Å; Y60-K80 WeakPolarHBondContact OH-CE 3.22Å; Y60-K80 PolarHBondContact OH-NZ 2.86Å; Y60-F81 AromaticContact CD1-CE2 3.94Å; Y60-F81 HydrophobicContact CD1-CE2 3.94Å; Y60-F81 AromaticContact CD2-CE2 3.41Å; Y60-F81 HydrophobicContact CD2-CE2 3.41Å; Y60-F81 VanDerWaalsContact CD2-CE2 3.41Å; Y60-F81 AromaticContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CE1-CE2 4.49Å; Y60-F81 HydrophobicContact CE2-CE2 4Å; Y60-F81 AromaticContact CE2-CZ 3.62Å; Y60-F81 HydrophobicContact CE2-CZ 3.62Å; Y60-F81 AromaticContact CG-CE2 3.36Å; Y60-F81 HydrophobicContact CG-CE2 3.36Å; Y60-F81 AromaticContact CG-CZ 3.8Å; Y60-F81 HydrophobicContact CG-CZ 3.8Å; Y60-E102 PolarHBondContact OH-O 2.8Å; Y60-Y107 HydrophobicContact CD2-CD1 4.5Å; Y60-Y107 AromaticContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE2 4.34Å; Y60-Y107 AromaticContact CD2-CZ 3.69Å
61T89.9Confident92.6Very high43 Ų4357.3 Ų57.326%0.26428%0.281SS..THydrogen-bonded Turntrans60.2-169.7-167.773.10000113.1F59 D63F59-T61 VanDerWaalsContact CB-O 3.22Å; F59-T61 WeakPolarHBondContact CB-O 3.44Å; T61-D63 PolarHBondContact OG1-OD1 3.33Å
62F85.4Confident92.6Very high133 Ų13359.8 Ų59.858%0.58328%0.283SS*.THydrogen-bonded Turntrans-80.6-18.7-173-75.5-78.4000114.4I108F62-I108 HydrophobicContact CD1-CD1 3.46Å; F62-I108 VanDerWaalsContact CD1-CD1 3.46Å; F62-I108 HydrophobicContact CE1-CD1 3.68Å; F62-I108 HydrophobicContact CG-CD1 4.08Å; F62-I108 HydrophobicContact CZ-CD1 4.44Å
63D84.5Confident93Very high130 Ų13062.2 Ų62.270%0.69529%0.289SS*.THydrogen-bonded Turntrans-130.4-27.2-164.858.5-29.3000113.2T61 K65T61-D63 PolarHBondContact OG1-OD1 3.33Å; D63-K65 PolarHBondContact O-N 2.97Å
64Q93.5Very high93.2Very high69 Ų6962 Ų6232%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-84.7100.1-177.8-174.8172.611.900111.9F59 Y60F59-Q64 CarbonylContact C-O 3.55Å; F59-Q64 WeakPolarHBondContact CA-O 3.38Å; Y60-Q64 PolarHBondContact N-O 2.84Å; Y60-Q64 VanDerWaalsContact O-CB 3.27Å; Y60-Q64 WeakPolarHBondContact O-CB 3.31Å; Y60-Q64 PolarHBondContact O-N 3.29Å
65K95.4Very high93.4Very high66 Ų6662.5 Ų62.529%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-61.9138172.6-69.7-173177.3-169.30111.3T57 F59 D63 E68 F77T57-K65 HydrophobicContact CG2-CD 3.96Å; T57-K65 HydrophobicContact CG2-CG 3.93Å; F59-K65 HydrophobicContact CD1-CB 4.49Å; F59-K65 HydrophobicContact CD1-CG 3.75Å; F59-K65 HydrophobicContact CE1-CB 4.48Å; F59-K65 HydrophobicContact CE1-CD 4.23Å; F59-K65 HydrophobicContact CE1-CG 3.33Å; F59-K65 HydrophobicContact CZ-CD 4.48Å; F59-K65 HydrophobicContact CZ-CG 3.93Å; D63-K65 PolarHBondContact O-N 2.97Å; K65-E68 IonicContact NZ-OE2 2.72Å; K65-E68 PolarHBondContact NZ-OE2 3.16Å; K65-F77 HydrophobicContact CB-CB 4.28Å; K65-F77 HydrophobicContact CB-CD1 4.19Å; K65-F77 HydrophobicContact CB-CD2 3.66Å; K65-F77 HydrophobicContact CB-CE1 4.46Å; K65-F77 HydrophobicContact CB-CE2 3.98Å; K65-F77 HydrophobicContact CB-CG 3.78Å; K65-F77 HydrophobicContact CB-CZ 4.37Å; K65-F77 HydrophobicContact CD-CD1 4.49Å; K65-F77 HydrophobicContact CD-CD2 4.37Å; K65-F77 HydrophobicContact CD-CE1 3.95Å; K65-F77 HydrophobicContact CD-CE2 3.84Å; K65-F77 HydrophobicContact CD-CZ 3.6Å; K65-F77 WeakPolarHBondContact O-CB 3.37Å
66I96.8Very high93.4Very high1 Ų165.9 Ų65.91%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-99.8-57.3171.4-55.8174.2000109.1W58 F77 F81 V85 L94 Y107W58-I66 HydrophobicContact CB-CB 4.39Å; W58-I66 PolarHBondContact O-N 2.83Å; I66-F77 PolarHBondContact O-N 2.85Å; I66-F81 HydrophobicContact CD1-CD2 4.21Å; I66-F81 HydrophobicContact CD1-CE2 4.32Å; I66-F81 HydrophobicContact CG1-CD2 4.07Å; I66-F81 HydrophobicContact CG1-CE2 4.44Å; I66-F81 HydrophobicContact CG2-CB 4.19Å; I66-F81 HydrophobicContact CG2-CG 4.49Å; I66-V85 HydrophobicContact CG2-CB 4.43Å; I66-V85 HydrophobicContact CG2-CG1 4.36Å; I66-V85 HydrophobicContact CG2-CG2 3.87Å; I66-L94 HydrophobicContact CD1-CD2 3.77Å; I66-L94 HydrophobicContact CG2-CD2 4.47Å; I66-Y107 HydrophobicContact CD1-CD1 3.81Å; I66-Y107 HydrophobicContact CD1-CE1 3.86Å
67V97.3Very high93.3Very high0 Ų068.3 Ų68.30%032%0.32CS..EExtended strand (participates in β ladder)trans-149.8142.1-175.860.30000109.9T57 W58 K75 Y76 L87 L94T57-V67 WeakPolarHBondContact CA-O 3.27Å; W58-V67 HydrophobicContact CB-CG1 3.94Å; W58-V67 HydrophobicContact CG-CG1 4.46Å; W58-V67 PolarHBondContact N-O 3.21Å; V67-K75 WeakPolarHBondContact CA-O 3.23Å; V67-Y76 HydrophobicContact CB-CD1 3.77Å; V67-Y76 HydrophobicContact CB-CE1 3.9Å; V67-Y76 HydrophobicContact CB-CG 4.5Å; V67-Y76 HydrophobicContact CG2-CD1 3.71Å; V67-Y76 HydrophobicContact CG2-CD2 4.46Å; V67-Y76 HydrophobicContact CG2-CE1 3.59Å; V67-Y76 HydrophobicContact CG2-CE2 4.35Å; V67-Y76 HydrophobicContact CG2-CG 4.16Å; V67-L87 HydrophobicContact CG1-CB 4.21Å; V67-L87 HydrophobicContact CG1-CD2 4.42Å; V67-L87 HydrophobicContact CG2-CB 4.2Å; V67-L87 HydrophobicContact CG2-CD2 4.17Å; V67-L94 HydrophobicContact CG1-CD1 3.71Å
68E96.8Very high93.1Very high28 Ų2874.7 Ų74.713%0.13135%0.349CS..EExtended strand (participates in β ladder)trans-123.9133.9174.1-178.1174.989.800109.1Q55 L56 T57 K65 S74 K75 F77Q55-E68 HydrophobicContact CG-CG 3.98Å; Q55-E68 PolarHBondContact NE2-OE2 3.15Å; L56-E68 CarbonylContact O-C 3.55Å; L56-E68 WeakPolarHBondContact O-CA 3.32Å; T57-E68 HydrophobicContact CG2-CB 4.29Å; K65-E68 IonicContact NZ-OE2 2.72Å; K65-E68 PolarHBondContact NZ-OE2 3.16Å; E68-S74 CarbonylContact O-C 3.5Å; E68-S74 WeakPolarHBondContact O-CA 3.43Å; E68-K75 PolarHBondContact N-O 2.81Å; E68-K75 PolarHBondContact O-N 3.01Å; E68-F77 HydrophobicContact CB-CE2 3.64Å; E68-F77 HydrophobicContact CB-CZ 4.24Å
69W96.4Very high92.8Very high50 Ų5075.3 Ų75.319%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-109.9114.5171.1175-92.9000109Y53 Q55 L56 R72 K73 S74 L87 P89Y53-W69 AromaticContact CE2-CD1 3.79Å; Y53-W69 PolarHBondContact OH-NE1 3.44Å; Q55-W69 VanDerWaalsContact CA-O 3.31Å; Q55-W69 WeakPolarHBondContact CA-O 3.44Å; L56-W69 HydrophobicContact CB-CB 4.37Å; L56-W69 PolarHBondContact N-O 2.82Å; L56-W69 PolarHBondContact O-N 3.31Å; W69-R72 VanDerWaalsContact CH2-C 3.44Å; W69-R72 WeakPolarHBondContact CH2-O 3.33Å; W69-R72 HydrophobicContact CZ2-CB 4.31Å; W69-K73 WeakPolarHBondContact CA-O 3.19Å; W69-S74 VanDerWaalsContact CE3-OG 3.27Å; W69-L87 HydrophobicContact CB-CD2 3.64Å; W69-L87 HydrophobicContact CG-CD2 4.44Å; W69-P89 HydrophobicContact CD2-CB 3.67Å; W69-P89 HydrophobicContact CE3-CB 3.82Å; W69-P89 HydrophobicContact CE3-CG 4.43Å; W69-P89 HydrophobicContact CG-CB 4.35Å; W69-P89 HydrophobicContact CH2-CB 3.73Å; W69-P89 HydrophobicContact CH2-CG 3.85Å; W69-P89 HydrophobicContact CZ2-CB 3.57Å; W69-P89 HydrophobicContact CZ2-CG 4.12Å; W69-P89 HydrophobicContact CZ3-CB 3.85Å; W69-P89 HydrophobicContact CZ3-CG 4.01Å
70D93.4Very high92.5Very high52 Ų5278.3 Ų78.328%0.27837%0.367SS..EExtended strand (participates in β ladder)trans-144.4148.4175-1797.4000107.9Q55 R72 K73Q55-D70 HydrophobicContact CG-CB 4.4Å; D70-R72 PolarHBondContact O-N 2.67Å; D70-K73 PolarHBondContact N-O 2.88Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-K73 VanDerWaalsContact O-O 3.07Å
71S86.8Confident92.5Very high97 Ų9776.9 Ų76.968%0.67836%0.361SS*.THydrogen-bonded Turntrans54.337.6170-61.70000113K73S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 3.36Å
72R85.1Confident92.5Very high221 Ų22181.2 Ų81.283%0.83438%0.376SS*.THydrogen-bonded Turntrans61.524.9-178.1-52.8-173-178.2-1521.3115.1W69 D70W69-R72 VanDerWaalsContact CH2-C 3.44Å; W69-R72 WeakPolarHBondContact CH2-O 3.33Å; W69-R72 HydrophobicContact CZ2-CB 4.31Å; D70-R72 PolarHBondContact O-N 2.67Å
73K93.3Very high92.8Very high160 Ų16078.8 Ų78.870%0.69639%0.389SS*.EExtended strand (participates in β ladder)trans-132.7144.2177.9-66.3-176.7-179.8179.60110.8W69 D70 S71W69-K73 WeakPolarHBondContact CA-O 3.19Å; D70-K73 PolarHBondContact N-O 2.88Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-K73 VanDerWaalsContact O-O 3.07Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 3.36Å
74S95.2Very high93.4Very high47 Ų4775.3 Ų75.333%0.32937%0.366SS..EExtended strand (participates in β ladder)trans-92128.3169.9-61.80000109.8E68 W69E68-S74 CarbonylContact O-C 3.5Å; E68-S74 WeakPolarHBondContact O-CA 3.43Å; W69-S74 VanDerWaalsContact CE3-OG 3.27Å
75K95.6Very high93.5Very high126 Ų12673 Ų7355%0.54836%0.356SS..EExtended strand (participates in β ladder)trans-110.7115169.2-179.3-179.5176.8-178.70108.8V67 E68 F77V67-K75 WeakPolarHBondContact CA-O 3.23Å; E68-K75 PolarHBondContact N-O 2.81Å; E68-K75 PolarHBondContact O-N 3.01Å; K75-F77 HydrophobicContact CD-CE1 4.5Å; K75-F77 HydrophobicContact CD-CE2 4.42Å; K75-F77 HydrophobicContact CD-CZ 4.04Å; K75-F77 HydrophobicContact CG-CE2 4.33Å; K75-F77 HydrophobicContact CG-CZ 4.42Å
76Y95.6Very high93.6Very high107 Ų10775.7 Ų75.742%0.4237%0.365SS..EExtended strand (participates in β ladder)trans-91.1133175.3-64.5-90.2000109.7V67 V85 L87V67-Y76 HydrophobicContact CB-CD1 3.77Å; V67-Y76 HydrophobicContact CB-CE1 3.9Å; V67-Y76 HydrophobicContact CB-CG 4.5Å; V67-Y76 HydrophobicContact CG2-CD1 3.71Å; V67-Y76 HydrophobicContact CG2-CD2 4.46Å; V67-Y76 HydrophobicContact CG2-CE1 3.59Å; V67-Y76 HydrophobicContact CG2-CE2 4.35Å; V67-Y76 HydrophobicContact CG2-CG 4.16Å; Y76-V85 HydrophobicContact CD1-CG2 3.92Å; Y76-V85 HydrophobicContact CE1-CG2 4.02Å; Y76-L87 PolarHBondContact OH-N 2.88Å; Y76-L87 VanDerWaalsContact OH-N 3.16Å
77F94.4Very high93.6Very high52 Ų5276 Ų7623%0.22837%0.366CS..PPolyproline II helixtrans-94.7153.9-179.6-67.3-99.2000110.7K65 I66 E68 K75 S79K65-F77 HydrophobicContact CB-CB 4.28Å; K65-F77 HydrophobicContact CB-CD1 4.19Å; K65-F77 HydrophobicContact CB-CD2 3.66Å; K65-F77 HydrophobicContact CB-CE1 4.46Å; K65-F77 HydrophobicContact CB-CE2 3.98Å; K65-F77 HydrophobicContact CB-CG 3.78Å; K65-F77 HydrophobicContact CB-CZ 4.37Å; K65-F77 HydrophobicContact CD-CD1 4.49Å; K65-F77 HydrophobicContact CD-CD2 4.37Å; K65-F77 HydrophobicContact CD-CE1 3.95Å; K65-F77 HydrophobicContact CD-CE2 3.84Å; K65-F77 HydrophobicContact CD-CZ 3.6Å; K65-F77 WeakPolarHBondContact O-CB 3.37Å; I66-F77 PolarHBondContact O-N 2.85Å; E68-F77 HydrophobicContact CB-CE2 3.64Å; E68-F77 HydrophobicContact CB-CZ 4.24Å; K75-F77 HydrophobicContact CD-CE1 4.5Å; K75-F77 HydrophobicContact CD-CE2 4.42Å; K75-F77 HydrophobicContact CD-CZ 4.04Å; K75-F77 HydrophobicContact CG-CE2 4.33Å; K75-F77 HydrophobicContact CG-CZ 4.42Å; F77-S79 PolarHBondContact O-N 3.31Å; F77-S79 VanDerWaalsContact O-N 3.14Å; F77-S79 PolarHBondContact O-OG 2.8Å
78E92.8Very high93.5Very high139 Ų13977.4 Ų77.465%0.6537%0.374SS*.SBendtrans-64.4117.1176.9-163.263.9-146.400109.7K82E78-K82 VanDerWaalsContact CD-NZ 3.33Å; E78-K82 WeakPolarHBondContact OE1-CD 3.4Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 2.95Å; E78-K82 WeakPolarHBondContact OE2-CD 3.21Å; E78-K82 WeakPolarHBondContact OE2-CE 3.22Å; E78-K82 IonicContact OE2-NZ 2.67Å; E78-K82 PolarHBondContact OE2-NZ 3.13Å
79S90.1Very high93.1Very high14 Ų1478 Ų7810%0.09838%0.38CS..SBendtrans-161.8168.3-178.164.10000109.4F77 F81 K82F77-S79 PolarHBondContact O-N 3.31Å; F77-S79 VanDerWaalsContact O-N 3.14Å; F77-S79 PolarHBondContact O-OG 2.8Å; S79-F81 PolarHBondContact O-N 3.17Å; S79-F81 PolarHBondContact OG-N 3.3Å; S79-K82 WeakPolarHBondContact O-CB 3.4Å; S79-K82 PolarHBondContact O-N 2.83Å
80K91Very high92.8Very high79 Ų7984 Ų8434%0.34341%0.411SS..THydrogen-bonded Turntrans-61-6.7173.463.3167.3178.6158.10114.8Y60 R84 E102 D103Y60-K80 VanDerWaalsContact CZ-NZ 3.32Å; Y60-K80 VanDerWaalsContact OH-CE 3.26Å; Y60-K80 WeakPolarHBondContact OH-CE 3.22Å; Y60-K80 PolarHBondContact OH-NZ 2.86Å; K80-R84 PolarHBondContact O-NE 2.95Å; K80-R84 PolarHBondContact O-NH2 2.8Å; K80-E102 VanDerWaalsContact NZ-C 3.28Å; K80-E102 PolarHBondContact NZ-O 3.37Å; K80-D103 WeakPolarHBondContact CE-OD1 3.28Å; K80-D103 IonicContact NZ-OD1 2.86Å; K80-D103 PolarHBondContact NZ-OD1 2.93Å
81F93.4Very high92.8Very high0 Ų083.9 Ų83.90%041%0.413CS..THydrogen-bonded Turntrans-91.8-8.2178.3-64.1-68.9000113.4Y60 I66 S79 G83 R84 V85 I96 D103 Y107Y60-F81 AromaticContact CD1-CE2 3.94Å; Y60-F81 HydrophobicContact CD1-CE2 3.94Å; Y60-F81 AromaticContact CD2-CE2 3.41Å; Y60-F81 HydrophobicContact CD2-CE2 3.41Å; Y60-F81 VanDerWaalsContact CD2-CE2 3.41Å; Y60-F81 AromaticContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CE1-CE2 4.49Å; Y60-F81 HydrophobicContact CE2-CE2 4Å; Y60-F81 AromaticContact CE2-CZ 3.62Å; Y60-F81 HydrophobicContact CE2-CZ 3.62Å; Y60-F81 AromaticContact CG-CE2 3.36Å; Y60-F81 HydrophobicContact CG-CE2 3.36Å; Y60-F81 AromaticContact CG-CZ 3.8Å; Y60-F81 HydrophobicContact CG-CZ 3.8Å; I66-F81 HydrophobicContact CD1-CD2 4.21Å; I66-F81 HydrophobicContact CD1-CE2 4.32Å; I66-F81 HydrophobicContact CG1-CD2 4.07Å; I66-F81 HydrophobicContact CG1-CE2 4.44Å; I66-F81 HydrophobicContact CG2-CB 4.19Å; I66-F81 HydrophobicContact CG2-CG 4.49Å; S79-F81 PolarHBondContact O-N 3.17Å; S79-F81 PolarHBondContact OG-N 3.3Å; F81-G83 PolarHBondContact O-N 2.9Å; F81-R84 WeakPolarHBondContact O-CA 3.37Å; F81-R84 WeakPolarHBondContact O-CB 3.26Å; F81-R84 PolarHBondContact O-N 2.81Å; F81-V85 HydrophobicContact CB-CB 4.48Å; F81-V85 HydrophobicContact CB-CG1 3.63Å; F81-V85 HydrophobicContact CB-CG2 4.06Å; F81-V85 HydrophobicContact CD1-CG1 4.07Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; F81-V85 WeakPolarHBondContact O-CG2 3.37Å; F81-V85 PolarHBondContact O-N 2.86Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CD1 4.49Å; F81-I96 HydrophobicContact CE1-CG2 4.37Å; F81-D103 HydrophobicContact CE1-CB 4.3Å; F81-Y107 HydrophobicContact CE1-CE1 4.22Å; F81-Y107 WeakPolarHBondContact CE1-OH 3.42Å; F81-Y107 AromaticContact CZ-CE1 3.91Å; F81-Y107 HydrophobicContact CZ-CE1 3.91Å; F81-Y107 AromaticContact CZ-CZ 3.98Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.46Å
82K89.3Confident93.1Very high134 Ų13479.3 Ų79.358%0.58338%0.382SS*.THydrogen-bonded Turntrans-52.8129.9-178.9-173.2172.3179.6177.50111.2E78 S79 R84E78-K82 VanDerWaalsContact CD-NZ 3.33Å; E78-K82 WeakPolarHBondContact OE1-CD 3.4Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 2.95Å; E78-K82 WeakPolarHBondContact OE2-CD 3.21Å; E78-K82 WeakPolarHBondContact OE2-CE 3.22Å; E78-K82 IonicContact OE2-NZ 2.67Å; E78-K82 PolarHBondContact OE2-NZ 3.13Å; S79-K82 WeakPolarHBondContact O-CB 3.4Å; S79-K82 PolarHBondContact O-N 2.83Å; K82-R84 PolarHBondContact O-N 2.91Å
83G92.2Very high93.7Very high83 Ų8368.9 Ų68.986%0.85634%0.343SS*.THydrogen-bonded Turntrans74.6-5.6-176.800000115.5F81F81-G83 PolarHBondContact O-N 2.9Å
84R96.4Very high93.9Very high56 Ų5661.2 Ų61.221%0.21131%0.31CS..THydrogen-bonded Turntrans-109.1-11.1178-60.8-169.2-61.9124.1-7.5114K80 F81 K82 S97 D103K80-R84 PolarHBondContact O-NE 2.95Å; K80-R84 PolarHBondContact O-NH2 2.8Å; F81-R84 WeakPolarHBondContact O-CA 3.37Å; F81-R84 WeakPolarHBondContact O-CB 3.26Å; F81-R84 PolarHBondContact O-N 2.81Å; K82-R84 PolarHBondContact O-N 2.91Å; R84-S97 WeakPolarHBondContact CA-OG 3.23Å; R84-S97 PolarHBondContact NH1-O 2.74Å; R84-S97 PolarHBondContact O-N 3.06Å; R84-S97 PolarHBondContact O-OG 2.8Å; R84-D103 IonicContact CZ-OD2 3.48Å; R84-D103 IonicContact NH1-OD2 2.82Å; R84-D103 PolarHBondContact NH1-OD2 2.92Å; R84-D103 IonicContact NH2-OD1 2.9Å; R84-D103 PolarHBondContact NH2-OD1 2.86Å; R84-D103 IonicContact NH2-OD2 3.31Å; R84-D103 PolarHBondContact NH2-OD2 2.75Å
85V97Very high94Very high20 Ų2062.4 Ų62.412%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-115.1148.9-174.8-65.70000114.2I66 Y76 F81 L94 Y95 I96I66-V85 HydrophobicContact CG2-CB 4.43Å; I66-V85 HydrophobicContact CG2-CG1 4.36Å; I66-V85 HydrophobicContact CG2-CG2 3.87Å; Y76-V85 HydrophobicContact CD1-CG2 3.92Å; Y76-V85 HydrophobicContact CE1-CG2 4.02Å; F81-V85 HydrophobicContact CB-CB 4.48Å; F81-V85 HydrophobicContact CB-CG1 3.63Å; F81-V85 HydrophobicContact CB-CG2 4.06Å; F81-V85 HydrophobicContact CD1-CG1 4.07Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; F81-V85 WeakPolarHBondContact O-CG2 3.37Å; F81-V85 PolarHBondContact O-N 2.86Å; V85-L94 HydrophobicContact CB-CD1 4.28Å; V85-Y95 CarbonylContact C-O 3.55Å; V85-Y95 WeakPolarHBondContact CA-O 3.33Å; V85-I96 HydrophobicContact CG1-CB 4.24Å; V85-I96 HydrophobicContact CG1-CG1 3.96Å; V85-I96 HydrophobicContact CG1-CG2 3.98Å
86R96.8Very high94.1Very high124 Ų12456.5 Ų56.547%0.46828%0.282SS..EExtended strand (participates in β ladder)trans-141.2135172.2-175.9-177.868.383.3-1.2109.4Y95R86-Y95 PolarHBondContact N-O 3.35Å; R86-Y95 VanDerWaalsContact NH2-CD2 3.31Å; R86-Y95 WeakPolarHBondContact O-CD2 3.42Å; R86-Y95 PolarHBondContact O-N 3.08Å
87L96.9Very high94.3Very high6 Ų653.2 Ų53.23%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-91.1137.7169.8-177.365.2000110.4L56 V67 W69 Y76L56-L87 HydrophobicContact CD2-CD1 3.99Å; L56-L87 HydrophobicContact CD2-CD2 4.16Å; V67-L87 HydrophobicContact CG1-CB 4.21Å; V67-L87 HydrophobicContact CG1-CD2 4.42Å; V67-L87 HydrophobicContact CG2-CB 4.2Å; V67-L87 HydrophobicContact CG2-CD2 4.17Å; W69-L87 HydrophobicContact CB-CD2 3.64Å; W69-L87 HydrophobicContact CG-CD2 4.44Å; Y76-L87 PolarHBondContact OH-N 2.88Å; Y76-L87 VanDerWaalsContact OH-N 3.16Å
88D95.1Very high94.4Very high30 Ų3057.4 Ų57.416%0.1629%0.293CS..  trans-97110.4158.7172.214.5000109.6Q90 S91 G92 A93 Y95D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.61Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.42Å; D88-Q90 PolarHBondContact OD1-N 2.8Å; D88-S91 WeakPolarHBondContact OD2-CB 3.43Å; D88-S91 PolarHBondContact OD2-OG 2.99Å; D88-G92 CarbonylContact O-C 3.58Å; D88-G92 WeakPolarHBondContact O-CA 3.42Å; D88-G92 PolarHBondContact O-N 2.87Å; D88-A93 PolarHBondContact N-O 2.9Å; D88-A93 PolarHBondContact O-N 2.89Å; D88-Y95 HydrophobicContact CB-CD2 4.47Å; D88-Y95 HydrophobicContact CB-CE2 3.59Å
89P88.9Confident94.6Very high40 Ų4050.8 Ų50.826%0.2626%0.262SS..THydrogen-bonded Turntrans-74.4-13.8-176.531.2-35.5000113.8Y53 W69Y53-P89 PolarHBondContact OH-O 3.36Å; W69-P89 HydrophobicContact CD2-CB 3.67Å; W69-P89 HydrophobicContact CE3-CB 3.82Å; W69-P89 HydrophobicContact CE3-CG 4.43Å; W69-P89 HydrophobicContact CG-CB 4.35Å; W69-P89 HydrophobicContact CH2-CB 3.73Å; W69-P89 HydrophobicContact CH2-CG 3.85Å; W69-P89 HydrophobicContact CZ2-CB 3.57Å; W69-P89 HydrophobicContact CZ2-CG 4.12Å; W69-P89 HydrophobicContact CZ3-CB 3.85Å; W69-P89 HydrophobicContact CZ3-CG 4.01Å
90Q89.5Confident94.8Very high178 Ų17853.9 Ų53.983%0.83227%0.274SS*.THydrogen-bonded Turntrans-77.3-48.6177.4-66.9-170.6-19.300111.1D88D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.61Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.42Å; D88-Q90 PolarHBondContact OD1-N 2.8Å
91S93.1Very high95Very high48 Ų4852.7 Ų52.734%0.33627%0.269SS..THydrogen-bonded Turntrans-91.2-19.6179.262.50000113.6D88 A93D88-S91 WeakPolarHBondContact OD2-CB 3.43Å; D88-S91 PolarHBondContact OD2-OG 2.99Å; S91-A93 PolarHBondContact O-N 2.88Å; S91-A93 VanDerWaalsContact OG-CB 3.23Å; S91-A93 WeakPolarHBondContact OG-CB 3.25Å; S91-A93 PolarHBondContact OG-N 3.42Å; S91-A93 VanDerWaalsContact OG-N 3.17Å
92G94.3Very high95Very high1 Ų159 Ų591%0.0130%0.298CS..  trans77.93-168.600000113.6W58 D88W58-G92 PolarHBondContact NE1-O 3.19Å; D88-G92 CarbonylContact O-C 3.58Å; D88-G92 WeakPolarHBondContact O-CA 3.42Å; D88-G92 PolarHBondContact O-N 2.87Å
93A96.7Very high95.3Very high2 Ų252.7 Ų52.72%0.01727%0.271CS..PPolyproline II helixtrans-69.3136.1-175.200000112.4T42 L43 N44 D88 S91 Y95T42-A93 HydrophobicContact CG2-CB 3.81Å; L43-A93 CarbonylContact O-C 3.57Å; L43-A93 VanDerWaalsContact O-CA 3.28Å; L43-A93 WeakPolarHBondContact O-CA 3.24Å; N44-A93 HydrophobicContact CB-CB 4.08Å; D88-A93 PolarHBondContact N-O 2.9Å; D88-A93 PolarHBondContact O-N 2.89Å; S91-A93 PolarHBondContact O-N 2.88Å; S91-A93 VanDerWaalsContact OG-CB 3.23Å; S91-A93 WeakPolarHBondContact OG-CB 3.25Å; S91-A93 PolarHBondContact OG-N 3.42Å; S91-A93 VanDerWaalsContact OG-N 3.17Å; A93-Y95 HydrophobicContact CB-CE2 4.08Å
94L97.7Very high95.4Very high0 Ų051.6 Ų51.60%025%0.246CC..EExtended strand (participates in β ladder)trans-100.2116.3174.4-174.371.7000110L43 W58 I66 V67 V85 I96L43-L94 HydrophobicContact CB-CB 4.28Å; L43-L94 HydrophobicContact CD1-CD2 4.34Å; L43-L94 PolarHBondContact N-O 2.81Å; L43-L94 PolarHBondContact O-N 3.18Å; W58-L94 HydrophobicContact CB-CD2 4.1Å; W58-L94 HydrophobicContact CD2-CB 3.9Å; W58-L94 HydrophobicContact CD2-CD2 4Å; W58-L94 HydrophobicContact CE3-CD2 4.23Å; W58-L94 HydrophobicContact CG-CB 4.07Å; W58-L94 HydrophobicContact CG-CD1 4.38Å; W58-L94 HydrophobicContact CG-CD2 3.96Å; W58-L94 HydrophobicContact CG-CG 4.37Å; W58-L94 HydrophobicContact CZ2-CB 4.12Å; I66-L94 HydrophobicContact CD1-CD2 3.77Å; I66-L94 HydrophobicContact CG2-CD2 4.47Å; V67-L94 HydrophobicContact CG1-CD1 3.71Å; V85-L94 HydrophobicContact CB-CD1 4.28Å; L94-I96 HydrophobicContact CD2-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CG1 4.19Å; L94-I96 HydrophobicContact CG-CG1 4.17Å
95Y97.9Very high95.4Very high72 Ų7250 Ų5028%0.28224%0.243SC..EExtended strand (participates in β ladder)trans-90.3129.3173.8-59.8-96.3000108.6V41 T42 V85 R86 D88 A93V41-Y95 WeakPolarHBondContact O-CA 3.5Å; T42-Y95 HydrophobicContact CG2-CD1 3.97Å; T42-Y95 HydrophobicContact CG2-CE1 3.69Å; T42-Y95 HydrophobicContact CG2-CE2 4.42Å; T42-Y95 HydrophobicContact CG2-CG 4.49Å; T42-Y95 WeakPolarHBondContact OG1-CD1 3.42Å; T42-Y95 VanDerWaalsContact OG1-CE1 3.3Å; T42-Y95 WeakPolarHBondContact OG1-CE1 3.47Å; V85-Y95 CarbonylContact C-O 3.55Å; V85-Y95 WeakPolarHBondContact CA-O 3.33Å; R86-Y95 PolarHBondContact N-O 3.35Å; R86-Y95 VanDerWaalsContact NH2-CD2 3.31Å; R86-Y95 WeakPolarHBondContact O-CD2 3.42Å; R86-Y95 PolarHBondContact O-N 3.08Å; D88-Y95 HydrophobicContact CB-CD2 4.47Å; D88-Y95 HydrophobicContact CB-CE2 3.59Å; A93-Y95 HydrophobicContact CB-CE2 4.08Å
96I98.2Very high95.4Very high2 Ų251.1 Ų51.11%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-124.5123.3176-43-177.4000108.1N40 V41 L43 F81 V85 L94 V99 Y107N40-I96 WeakPolarHBondContact CA-O 3.21Å; V41-I96 HydrophobicContact CG1-CB 3.86Å; V41-I96 HydrophobicContact CG1-CD1 4.45Å; V41-I96 HydrophobicContact CG1-CG1 4.26Å; V41-I96 PolarHBondContact N-O 3.48Å; V41-I96 PolarHBondContact O-N 2.88Å; L43-I96 HydrophobicContact CD1-CD1 3.79Å; L43-I96 HydrophobicContact CG-CD1 4.26Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CD1 4.49Å; F81-I96 HydrophobicContact CE1-CG2 4.37Å; V85-I96 HydrophobicContact CG1-CB 4.24Å; V85-I96 HydrophobicContact CG1-CG1 3.96Å; V85-I96 HydrophobicContact CG1-CG2 3.98Å; L94-I96 HydrophobicContact CD2-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CG1 4.19Å; L94-I96 HydrophobicContact CG-CG1 4.17Å; I96-V99 HydrophobicContact CB-CG1 4.06Å; I96-V99 HydrophobicContact CG2-CG1 3.85Å; I96-Y107 HydrophobicContact CD1-CD1 4.32Å; I96-Y107 HydrophobicContact CD1-CE1 3.65Å
97S97.9Very high95.4Very high38 Ų3845.2 Ų45.227%0.26623%0.228SC..SBendtrans-93.9146.9178.359.60000112.2N40 R84 V99N40-S97 VanDerWaalsContact OD1-CA 3.24Å; N40-S97 WeakPolarHBondContact OD1-CA 3.36Å; N40-S97 WeakPolarHBondContact OD1-CB 3.47Å; R84-S97 WeakPolarHBondContact CA-OG 3.23Å; R84-S97 PolarHBondContact NH1-O 2.74Å; R84-S97 PolarHBondContact O-N 3.06Å; R84-S97 PolarHBondContact O-OG 2.8Å; S97-V99 PolarHBondContact O-N 3.24Å
98K96.8Very high95.4Very high140 Ų14045 Ų4561%0.60923%0.227SC*.SBendtrans4755.6176.7-59-179.9-179.6179.50112.3S39 N40 Q100S39-K98 CarbonylContact O-C 3.57Å; S39-K98 VanDerWaalsContact O-CA 3.25Å; S39-K98 WeakPolarHBondContact O-CA 3.47Å; S39-K98 PolarHBondContact O-N 3.24Å; S39-K98 VanDerWaalsContact O-N 3.08Å; N40-K98 PolarHBondContact OD1-N 3.21Å; K98-Q100 PolarHBondContact O-NE2 3.3Å
99V97.1Very high95.4Very high0 Ų043.5 Ų43.50%022%0.219CC..  trans-57.9140.2179.2-65.80000110.7V35 G38 S39 V41 I96 S97 V127V35-V99 HydrophobicContact CG2-CG2 3.88Å; G38-V99 PolarHBondContact N-O 3.31Å; S39-V99 WeakPolarHBondContact O-CG2 3.41Å; S39-V99 PolarHBondContact O-N 3.16Å; V41-V99 HydrophobicContact CB-CG1 4.32Å; V41-V99 HydrophobicContact CG1-CG1 3.48Å; V41-V99 VanDerWaalsContact CG1-CG1 3.48Å; I96-V99 HydrophobicContact CB-CG1 4.06Å; I96-V99 HydrophobicContact CG2-CG1 3.85Å; S97-V99 PolarHBondContact O-N 3.24Å; V99-V127 HydrophobicContact CB-CG1 4.42Å; V99-V127 HydrophobicContact CB-CG2 4.1Å; V99-V127 HydrophobicContact CG2-CG1 3.92Å; V99-V127 HydrophobicContact CG2-CG2 4.12Å
100Q95.4Very high95.7Very high79 Ų7944.2 Ų44.237%0.36922%0.216SC..  trans-115.3165.5178-56.3-59.4-50.600110.4K98 E102 D103 V127K98-Q100 PolarHBondContact O-NE2 3.3Å; Q100-E102 VanDerWaalsContact CB-OE2 3.23Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.26Å; Q100-E102 PolarHBondContact O-N 2.66Å; Q100-D103 PolarHBondContact N-OD2 2.78Å; Q100-D103 VanDerWaalsContact N-OD2 3.15Å; Q100-D103 WeakPolarHBondContact O-CA 3.49Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.5Å; Q100-D103 PolarHBondContact O-N 3.34Å; Q100-V127 WeakPolarHBondContact O-CB 3.16Å
101K93.4Very high95.9Very high54 Ų5435.7 Ų35.724%0.23518%0.177CC..G310 helixtrans-57.8-31.1178.7-172.5168.91751740112.6D103 N104 D129 E159K101-D103 PolarHBondContact O-N 2.78Å; K101-N104 VanDerWaalsContact O-CB 3.28Å; K101-N104 WeakPolarHBondContact O-CB 3.37Å; K101-N104 PolarHBondContact O-N 3.2Å; K101-N104 PolarHBondContact O-ND2 2.89Å; K101-N104 VanDerWaalsContact O-ND2 3.16Å; K101-N104 PolarHBondContact O-OD1 3.33Å; K101-D129 WeakPolarHBondContact CD-OD2 3.41Å; K101-E159 WeakPolarHBondContact CE-OE1 3.4Å; K101-E159 IonicContact NZ-OE1 2.67Å; K101-E159 PolarHBondContact NZ-OE1 2.81Å; K101-E159 IonicContact NZ-OE2 2.72Å; K101-E159 PolarHBondContact NZ-OE2 2.96Å
102E93.9Very high96Very high131 Ų13135.6 Ų35.661%0.61217%0.172SC*.G310 helixtrans-71.8-15.3177.3-56.668.7-142.900112.3Y60 K80 Q100 N104Y60-E102 PolarHBondContact OH-O 2.8Å; K80-E102 VanDerWaalsContact NZ-C 3.28Å; K80-E102 PolarHBondContact NZ-O 3.37Å; Q100-E102 VanDerWaalsContact CB-OE2 3.23Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.26Å; Q100-E102 PolarHBondContact O-N 2.66Å; E102-N104 PolarHBondContact O-N 2.92Å
103D95.6Very high95.9Very high3 Ų338.6 Ų38.62%0.01619%0.185CC..G310 helixtrans-77.31174.4-64-26.4000113K80 F81 R84 Q100 K101 S105 Y107K80-D103 WeakPolarHBondContact CE-OD1 3.28Å; K80-D103 IonicContact NZ-OD1 2.86Å; K80-D103 PolarHBondContact NZ-OD1 2.93Å; F81-D103 HydrophobicContact CE1-CB 4.3Å; R84-D103 IonicContact CZ-OD2 3.48Å; R84-D103 IonicContact NH1-OD2 2.82Å; R84-D103 PolarHBondContact NH1-OD2 2.92Å; R84-D103 IonicContact NH2-OD1 2.9Å; R84-D103 PolarHBondContact NH2-OD1 2.86Å; R84-D103 IonicContact NH2-OD2 3.31Å; R84-D103 PolarHBondContact NH2-OD2 2.75Å; Q100-D103 PolarHBondContact N-OD2 2.78Å; Q100-D103 VanDerWaalsContact N-OD2 3.15Å; Q100-D103 WeakPolarHBondContact O-CA 3.49Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.5Å; Q100-D103 PolarHBondContact O-N 3.34Å; K101-D103 PolarHBondContact O-N 2.78Å; D103-S105 PolarHBondContact O-N 3.44Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 2.85Å
104N95.3Very high95.7Very high59 Ų5945.6 Ų45.632%0.31622%0.215SC..  trans-57.6114.8171.4-72.3-3.6000111.4K101 E102 L125 V127K101-N104 VanDerWaalsContact O-CB 3.28Å; K101-N104 WeakPolarHBondContact O-CB 3.37Å; K101-N104 PolarHBondContact O-N 3.2Å; K101-N104 PolarHBondContact O-ND2 2.89Å; K101-N104 VanDerWaalsContact O-ND2 3.16Å; K101-N104 PolarHBondContact O-OD1 3.33Å; E102-N104 PolarHBondContact O-N 2.92Å; N104-L125 WeakPolarHBondContact CA-O 3.35Å; N104-V127 PolarHBondContact ND2-O 2.73Å; N104-V127 VanDerWaalsContact OD1-CA 3.3Å; N104-V127 WeakPolarHBondContact OD1-CA 3.22Å; N104-V127 WeakPolarHBondContact OD1-CB 3.2Å; N104-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N104-V127 PolarHBondContact OD1-N 2.8Å; N104-V127 PolarHBondContact OD1-O 2.71Å
105S96.1Very high95.4Very high23 Ų2350.8 Ų50.816%0.16125%0.247CC..EExtended strand (participates in β ladder)trans-167.1172.7179.7-1660000111.4D103 L125D103-S105 PolarHBondContact O-N 3.44Å; S105-L125 PolarHBondContact N-O 3.01Å; S105-L125 PolarHBondContact O-N 2.89Å
106T96.6Very high95Very high44 Ų4449.9 Ų49.927%0.2726%0.259SS..EExtended strand (participates in β ladder)trans-93.5109.4161.8-57.90000107.8L30 I108 K122 I123L30-T106 HydrophobicContact CD1-CG2 4.17Å; T106-I108 HydrophobicContact CG2-CG1 4.47Å; T106-K122 HydrophobicContact CG2-CB 3.97Å; T106-K122 HydrophobicContact CG2-CD 4.47Å; T106-K122 HydrophobicContact CG2-CG 4.34Å; T106-I123 CarbonylContact C-O 3.54Å; T106-I123 WeakPolarHBondContact CA-O 3.39Å
107Y96.7Very high94.7Very high0 Ų054.8 Ų54.80%029%0.286CS..EExtended strand (participates in β ladder)trans-82.5140.9173.9-67.5-103.1000109L43 F59 Y60 I66 F81 I96 D103 K122 I123 L125L43-Y107 HydrophobicContact CD1-CD1 3.56Å; L43-Y107 HydrophobicContact CD1-CD2 3.9Å; L43-Y107 HydrophobicContact CD1-CE1 4.13Å; L43-Y107 HydrophobicContact CD1-CE2 4.46Å; L43-Y107 HydrophobicContact CD1-CG 3.42Å; L43-Y107 VanDerWaalsContact CD1-CG 3.42Å; F59-Y107 WeakPolarHBondContact O-CA 3.34Å; Y60-Y107 HydrophobicContact CD2-CD1 4.5Å; Y60-Y107 AromaticContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE2 4.34Å; Y60-Y107 AromaticContact CD2-CZ 3.69Å; I66-Y107 HydrophobicContact CD1-CD1 3.81Å; I66-Y107 HydrophobicContact CD1-CE1 3.86Å; F81-Y107 HydrophobicContact CE1-CE1 4.22Å; F81-Y107 WeakPolarHBondContact CE1-OH 3.42Å; F81-Y107 AromaticContact CZ-CE1 3.91Å; F81-Y107 HydrophobicContact CZ-CE1 3.91Å; F81-Y107 AromaticContact CZ-CZ 3.98Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.46Å; I96-Y107 HydrophobicContact CD1-CD1 4.32Å; I96-Y107 HydrophobicContact CD1-CE1 3.65Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 2.85Å; Y107-K122 WeakPolarHBondContact O-CA 3.3Å; Y107-I123 PolarHBondContact N-O 3Å; Y107-I123 PolarHBondContact O-N 2.87Å; Y107-L125 HydrophobicContact CD2-CB 3.86Å; Y107-L125 HydrophobicContact CD2-CD2 4.42Å; Y107-L125 HydrophobicContact CE2-CB 3.69Å; Y107-L125 HydrophobicContact CE2-CD2 3.68Å; Y107-L125 HydrophobicContact CE2-CG 4.33Å
108I96.4Very high94.4Very high0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-126.6124.4-173.7-49.8179.9000108.6W58 F59 F62 T106 R110 E120 W121 K122W58-I108 CarbonylContact C-O 3.55Å; W58-I108 WeakPolarHBondContact CA-O 3.47Å; F59-I108 HydrophobicContact CB-CB 4.27Å; F59-I108 PolarHBondContact N-O 2.87Å; F59-I108 PolarHBondContact O-N 2.82Å; F62-I108 HydrophobicContact CD1-CD1 3.46Å; F62-I108 VanDerWaalsContact CD1-CD1 3.46Å; F62-I108 HydrophobicContact CE1-CD1 3.68Å; F62-I108 HydrophobicContact CG-CD1 4.08Å; F62-I108 HydrophobicContact CZ-CD1 4.44Å; T106-I108 HydrophobicContact CG2-CG1 4.47Å; I108-R110 HydrophobicContact CG2-CG 4.15Å; I108-E120 HydrophobicContact CG2-CG 3.38Å; I108-E120 WeakPolarHBondContact CG2-OE2 3.28Å; I108-W121 WeakPolarHBondContact CA-O 3.23Å; I108-K122 HydrophobicContact CG1-CG 4.37Å
109M95.8Very high94.2Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-100.8124.1168.3-169.217874.300108.6I45 L49 L56 T57 W58 V111 E120 W121I45-M109 HydrophobicContact CB-CE 4.31Å; I45-M109 HydrophobicContact CD1-CE 3.71Å; I45-M109 HydrophobicContact CG1-CE 3.94Å; I45-M109 HydrophobicContact CG2-CE 3.41Å; I45-M109 VanDerWaalsContact CG2-CE 3.41Å; I45-M109 HydrophobicContact CG2-SD 4.41Å; L49-M109 HydrophobicContact CD2-CE 3.91Å; L49-M109 HydrophobicContact CD2-SD 4.36Å; L56-M109 HydrophobicContact CD1-CG 4.46Å; L56-M109 HydrophobicContact CD1-SD 3.91Å; L56-M109 HydrophobicContact CD2-CG 4.34Å; L56-M109 HydrophobicContact CG-CG 4.19Å; L56-M109 HydrophobicContact CG-SD 4.28Å; T57-M109 WeakPolarHBondContact O-CA 3.38Å; W58-M109 HydrophobicContact CD2-CB 3.98Å; W58-M109 HydrophobicContact CD2-CG 4.21Å; W58-M109 HydrophobicContact CE3-CB 4.02Å; W58-M109 HydrophobicContact CH2-CB 3.8Å; W58-M109 HydrophobicContact CZ2-CB 3.75Å; W58-M109 HydrophobicContact CZ2-CG 3.99Å; W58-M109 HydrophobicContact CZ2-SD 3.71Å; W58-M109 HydrophobicContact CZ3-CB 3.93Å; M109-V111 HydrophobicContact CE-CG2 4.12Å; M109-V111 HydrophobicContact CG-CG2 4.43Å; M109-E120 CarbonylContact O-C 3.59Å; M109-E120 WeakPolarHBondContact O-CA 3.49Å; M109-W121 HydrophobicContact CE-CD2 3.82Å; M109-W121 HydrophobicContact CE-CE3 3.32Å; M109-W121 HydrophobicContact CE-CG 4.43Å; M109-W121 HydrophobicContact CE-CH2 4.35Å; M109-W121 HydrophobicContact CE-CZ3 3.65Å; M109-W121 PolarHBondContact N-O 3.01Å; M109-W121 PolarHBondContact O-N 2.69Å
110R94.9Very high94Very high54 Ų5457 Ų5720%0.20429%0.294CS..EExtended strand (participates in β ladder)trans-113.8130.6172.4-69.1-179.7175.7155.10.7110L56 T57 F59 I108 E118 Q119 E120L56-R110 CarbonylContact C-O 3.6Å; L56-R110 WeakPolarHBondContact CA-O 3.43Å; T57-R110 PolarHBondContact N-O 3.15Å; T57-R110 PolarHBondContact O-N 2.91Å; F59-R110 HydrophobicContact CD2-CG 4.43Å; F59-R110 HydrophobicContact CE2-CB 4.12Å; F59-R110 HydrophobicContact CE2-CG 4.04Å; I108-R110 HydrophobicContact CG2-CG 4.15Å; R110-E118 HydrophobicContact CB-CG 4.27Å; R110-E118 WeakPolarHBondContact CD-OE1 3.46Å; R110-E118 IonicContact NE-OE1 3.31Å; R110-Q119 WeakPolarHBondContact CA-O 3.39Å; R110-E120 HydrophobicContact CG-CG 4.16Å; R110-E120 IonicContact CZ-OE2 3Å; R110-E120 VanDerWaalsContact CZ-OE2 3.31Å; R110-E120 IonicContact NE-OE2 3.21Å; R110-E120 PolarHBondContact NE-OE2 2.96Å; R110-E120 IonicContact NH2-OE2 2.69Å; R110-E120 PolarHBondContact NH2-OE2 3Å
111V94.8Very high93.9Very high0 Ų053.4 Ų53.40%028%0.277CS..EExtended strand (participates in β ladder)trans-120.8117.9176.3178.60000109L49 P50 Y53 Q55 L56 M109 E118 Q119 W121L49-V111 HydrophobicContact CD2-CG2 4.13Å; P50-V111 HydrophobicContact CG-CB 4.47Å; P50-V111 HydrophobicContact CG-CG1 4.02Å; Y53-V111 HydrophobicContact CD2-CG1 4.06Å; Y53-V111 HydrophobicContact CG-CG1 3.83Å; Q55-V111 CarbonylContact O-C 3.58Å; Q55-V111 WeakPolarHBondContact O-CA 3.43Å; L56-V111 HydrophobicContact CB-CG2 4.28Å; L56-V111 HydrophobicContact CD1-CG2 4.06Å; L56-V111 HydrophobicContact CG-CG2 4.01Å; M109-V111 HydrophobicContact CE-CG2 4.12Å; M109-V111 HydrophobicContact CG-CG2 4.43Å; V111-E118 WeakPolarHBondContact O-CA 2.77Å; V111-Q119 PolarHBondContact N-O 3.44Å; V111-Q119 PolarHBondContact O-N 3.37Å; V111-W121 HydrophobicContact CB-CH2 4.37Å; V111-W121 HydrophobicContact CB-CZ3 3.87Å; V111-W121 HydrophobicContact CG2-CH2 4.25Å; V111-W121 HydrophobicContact CG2-CZ3 3.6Å
112L94.6Very high94Very high46 Ų4653.3 Ų53.324%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-91.9117.8175.2179.364.2000109.5K54 Q55 G116K54-L112 PolarHBondContact N-O 2.63Å; Q55-L112 HydrophobicContact CB-CB 4.23Å; Q55-L112 PolarHBondContact N-O 3.27Å; Q55-L112 PolarHBondContact O-N 3.44Å; L112-G116 WeakPolarHBondContact CD1-O 3.4Å
113K92.9Very high94.1Very high63 Ų6347.1 Ų47.127%0.27425%0.248SC..EExtended strand (participates in β ladder)trans-76155.1175.1-58.9-175.4-168.1-173.40110.4P50 T115 G116 N117P50-K113 HydrophobicContact CB-CD 4.29Å; P50-K113 HydrophobicContact CB-CG 4.35Å; K113-T115 PolarHBondContact O-N 2.85Å; K113-T115 VanDerWaalsContact O-N 3.13Å; K113-G116 PolarHBondContact O-N 2.92Å; K113-N117 WeakPolarHBondContact CB-O 3.41Å; K113-N117 PolarHBondContact N-O 3.47Å
114K90.9Very high94.2Very high149 Ų14951.6 Ų51.665%0.64827%0.267SS*.THydrogen-bonded Turntrans-58.2-24.2173.5-78.3174.8-172.2175.50113.6N52 K54 G116N52-K114 HydrophobicContact CB-CD 4.32Å; N52-K114 WeakPolarHBondContact O-CG 3.33Å; N52-K114 PolarHBondContact O-N 3.31Å; K54-K114 HydrophobicContact CB-CG 4.28Å; K114-G116 PolarHBondContact O-N 3.17Å
115T91.3Very high94.2Very high109 Ų10948.9 Ų48.967%0.66925%0.253SS*.THydrogen-bonded Turntrans-73.2-7.5175.5610000113.7K113K113-T115 PolarHBondContact O-N 2.85Å; K113-T115 VanDerWaalsContact O-N 3.13Å
116G90.4Very high94.2Very high53 Ų5352 Ų5255%0.54626%0.264SS..SBendtrans92.4-8.5-175.700000114.4L112 K113 K114L112-G116 WeakPolarHBondContact CD1-O 3.4Å; K113-G116 PolarHBondContact O-N 2.92Å; K114-G116 PolarHBondContact O-N 3.17Å
117N91.8Very high94.2Very high105 Ų10549.9 Ų49.956%0.56125%0.251SS*.  trans-75.3136.2177.7-64.7-15.4000111K113K113-N117 WeakPolarHBondContact CB-O 3.41Å; K113-N117 PolarHBondContact N-O 3.47Å
118E92Very high94.1Very high109 Ų10950.7 Ų50.751%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-101.6141.3173.5-170.5173.490.800110.7R110 V111R110-E118 HydrophobicContact CB-CG 4.27Å; R110-E118 WeakPolarHBondContact CD-OE1 3.46Å; R110-E118 IonicContact NE-OE1 3.31Å; V111-E118 WeakPolarHBondContact O-CA 2.77Å
119Q92Very high93.9Very high58 Ų5854 Ų5427%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-123138.2171.2-168167-11.800109.6R110 V111 W121R110-Q119 WeakPolarHBondContact CA-O 3.39Å; V111-Q119 PolarHBondContact N-O 3.44Å; V111-Q119 PolarHBondContact O-N 3.37Å; Q119-W121 HydrophobicContact CB-CH2 3.76Å; Q119-W121 HydrophobicContact CB-CZ2 4.5Å; Q119-W121 HydrophobicContact CB-CZ3 3.88Å; Q119-W121 VanDerWaalsContact CD-CH2 3.46Å; Q119-W121 VanDerWaalsContact CD-CZ2 3.43Å; Q119-W121 HydrophobicContact CG-CE3 4.41Å; Q119-W121 HydrophobicContact CG-CH2 3.42Å; Q119-W121 VanDerWaalsContact CG-CH2 3.42Å; Q119-W121 HydrophobicContact CG-CZ2 3.67Å; Q119-W121 HydrophobicContact CG-CZ3 3.81Å; Q119-W121 WeakPolarHBondContact O-CZ3 3.29Å
120E92.9Very high93.7Very high57 Ų5757.2 Ų57.227%0.26630%0.295SS..EExtended strand (participates in β ladder)trans-125.3136.4-172-171.7176.884.100111.1I108 M109 R110 K122I108-E120 HydrophobicContact CG2-CG 3.38Å; I108-E120 WeakPolarHBondContact CG2-OE2 3.28Å; M109-E120 CarbonylContact O-C 3.59Å; M109-E120 WeakPolarHBondContact O-CA 3.49Å; R110-E120 HydrophobicContact CG-CG 4.16Å; R110-E120 IonicContact CZ-OE2 3Å; R110-E120 VanDerWaalsContact CZ-OE2 3.31Å; R110-E120 IonicContact NE-OE2 3.21Å; R110-E120 PolarHBondContact NE-OE2 2.96Å; R110-E120 IonicContact NH2-OE2 2.69Å; R110-E120 PolarHBondContact NH2-OE2 3Å; E120-K122 WeakPolarHBondContact OE1-CE 3.49Å; E120-K122 IonicContact OE1-NZ 2.82Å; E120-K122 PolarHBondContact OE1-NZ 2.89Å
121W94.4Very high93.7Very high5 Ų555 Ų552%0.01929%0.287CS..EExtended strand (participates in β ladder)trans-125.9141.7170.5-61.9-99.4000109.9I45 E47 P50 I108 M109 V111 Q119I45-W121 HydrophobicContact CB-CG 4.35Å; I45-W121 HydrophobicContact CD1-CD2 4.46Å; I45-W121 HydrophobicContact CD1-CZ2 4.05Å; I45-W121 HydrophobicContact CG2-CB 3.57Å; I45-W121 HydrophobicContact CG2-CD2 3.84Å; I45-W121 HydrophobicContact CG2-CG 3.39Å; E47-W121 PolarHBondContact OE1-NE1 2.81Å; P50-W121 HydrophobicContact CG-CH2 3.76Å; I108-W121 WeakPolarHBondContact CA-O 3.23Å; M109-W121 HydrophobicContact CE-CD2 3.82Å; M109-W121 HydrophobicContact CE-CE3 3.32Å; M109-W121 HydrophobicContact CE-CG 4.43Å; M109-W121 HydrophobicContact CE-CH2 4.35Å; M109-W121 HydrophobicContact CE-CZ3 3.65Å; M109-W121 PolarHBondContact N-O 3.01Å; M109-W121 PolarHBondContact O-N 2.69Å; V111-W121 HydrophobicContact CB-CH2 4.37Å; V111-W121 HydrophobicContact CB-CZ3 3.87Å; V111-W121 HydrophobicContact CG2-CH2 4.25Å; V111-W121 HydrophobicContact CG2-CZ3 3.6Å; Q119-W121 HydrophobicContact CB-CH2 3.76Å; Q119-W121 HydrophobicContact CB-CZ2 4.5Å; Q119-W121 HydrophobicContact CB-CZ3 3.88Å; Q119-W121 VanDerWaalsContact CD-CH2 3.46Å; Q119-W121 VanDerWaalsContact CD-CZ2 3.43Å; Q119-W121 HydrophobicContact CG-CE3 4.41Å; Q119-W121 HydrophobicContact CG-CH2 3.42Å; Q119-W121 VanDerWaalsContact CG-CH2 3.42Å; Q119-W121 HydrophobicContact CG-CZ2 3.67Å; Q119-W121 HydrophobicContact CG-CZ3 3.81Å; Q119-W121 WeakPolarHBondContact O-CZ3 3.29Å
122K95.4Very high93.6Very high51 Ų5157.4 Ų57.422%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-119.6134.4-177.3-65.4180178.3155.60110.6H29 L30 V31 T106 Y107 I108 E120H29-K122 PolarHBondContact O-N 2.9Å; H29-K122 VanDerWaalsContact O-O 3.09Å; L30-K122 WeakPolarHBondContact CA-O 2.94Å; L30-K122 HydrophobicContact CD1-CB 3.57Å; V31-K122 PolarHBondContact N-O 2.77Å; T106-K122 HydrophobicContact CG2-CB 3.97Å; T106-K122 HydrophobicContact CG2-CD 4.47Å; T106-K122 HydrophobicContact CG2-CG 4.34Å; Y107-K122 WeakPolarHBondContact O-CA 3.3Å; I108-K122 HydrophobicContact CG1-CG 4.37Å; E120-K122 WeakPolarHBondContact OE1-CE 3.49Å; E120-K122 IonicContact OE1-NZ 2.82Å; E120-K122 PolarHBondContact OE1-NZ 2.89Å
123I96.1Very high93.5Very high2 Ų262.8 Ų62.81%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-127.6111.8175-54-178.4000108.3V31 M33 L43 N44 W58 T106 Y107 L125V31-I123 HydrophobicContact CB-CG1 4.32Å; V31-I123 HydrophobicContact CB-CG2 4.5Å; V31-I123 CarbonylContact O-C 3.56Å; V31-I123 WeakPolarHBondContact O-CA 3.16Å; M33-I123 HydrophobicContact CB-CG2 4.35Å; L43-I123 HydrophobicContact CB-CD1 4.03Å; L43-I123 HydrophobicContact CD2-CG2 4.19Å; N44-I123 VanDerWaalsContact O-CD1 3.23Å; N44-I123 WeakPolarHBondContact O-CD1 3.3Å; W58-I123 HydrophobicContact CH2-CD1 3.89Å; T106-I123 CarbonylContact C-O 3.54Å; T106-I123 WeakPolarHBondContact CA-O 3.39Å; Y107-I123 PolarHBondContact N-O 3Å; Y107-I123 PolarHBondContact O-N 2.87Å; I123-L125 PolarHBondContact O-N 2.94Å
124K96.4Very high93.6Very high96 Ų9660 Ų6042%0.41731%0.313SS..EExtended strand (participates in β ladder)trans-81.1106.7171.3-170.7177.4-174.8179.30108.8L30 V31 M33L30-K124 HydrophobicContact CD1-CB 4.13Å; V31-K124 PolarHBondContact O-N 3.3Å; M33-K124 PolarHBondContact N-O 3.08Å
125L96.6Very high93.8Very high3 Ų357.2 Ų57.22%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-92.3121.1176-17566.4000109.7M33 V35 V41 L43 N104 S105 Y107 I123 V127M33-L125 HydrophobicContact CB-CD1 4.28Å; M33-L125 HydrophobicContact CG-CD1 4.12Å; M33-L125 HydrophobicContact SD-CD1 4.12Å; V35-L125 HydrophobicContact CG1-CD1 4.23Å; V35-L125 HydrophobicContact CG2-CD1 3.75Å; V35-L125 HydrophobicContact CG2-CG 4.48Å; V41-L125 HydrophobicContact CG1-CD2 4.43Å; V41-L125 HydrophobicContact CG2-CD1 4.26Å; L43-L125 HydrophobicContact CD2-CD1 4.28Å; N104-L125 WeakPolarHBondContact CA-O 3.35Å; S105-L125 PolarHBondContact N-O 3.01Å; S105-L125 PolarHBondContact O-N 2.89Å; Y107-L125 HydrophobicContact CD2-CB 3.86Å; Y107-L125 HydrophobicContact CD2-CD2 4.42Å; Y107-L125 HydrophobicContact CE2-CB 3.69Å; Y107-L125 HydrophobicContact CE2-CD2 3.68Å; Y107-L125 HydrophobicContact CE2-CG 4.33Å; I123-L125 PolarHBondContact O-N 2.94Å; L125-V127 HydrophobicContact CD2-CG2 4Å; L125-V127 HydrophobicContact CG-CG2 3.97Å
126Q96.3Very high94Very high87 Ų8753.3 Ų53.341%0.40728%0.282SS..EExtended strand (participates in β ladder)trans-112108.1170.9-175.2173.7-1.400109.3M33 T34 V35 L128M33-Q126 PolarHBondContact O-N 2.7Å; T34-Q126 CarbonylContact C-O 3.53Å; T34-Q126 WeakPolarHBondContact CA-O 3.36Å; V35-Q126 PolarHBondContact N-O 2.9Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å; Q126-L128 HydrophobicContact CG-CG 4.25Å
127V95.8Very high94.1Very high0 Ų056.7 Ų56.70%028%0.282CS..EExtended strand (participates in β ladder)trans-94.3123.5173.8-169.90000108.1V35 V99 Q100 N104 L125V35-V127 HydrophobicContact CG2-CB 4.31Å; V35-V127 HydrophobicContact CG2-CG1 4.33Å; V35-V127 HydrophobicContact CG2-CG2 3.82Å; V35-V127 WeakPolarHBondContact O-CA 3.09Å; V99-V127 HydrophobicContact CB-CG1 4.42Å; V99-V127 HydrophobicContact CB-CG2 4.1Å; V99-V127 HydrophobicContact CG2-CG1 3.92Å; V99-V127 HydrophobicContact CG2-CG2 4.12Å; Q100-V127 WeakPolarHBondContact O-CB 3.16Å; N104-V127 PolarHBondContact ND2-O 2.73Å; N104-V127 VanDerWaalsContact OD1-CA 3.3Å; N104-V127 WeakPolarHBondContact OD1-CA 3.22Å; N104-V127 WeakPolarHBondContact OD1-CB 3.2Å; N104-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N104-V127 PolarHBondContact OD1-N 2.8Å; N104-V127 PolarHBondContact OD1-O 2.71Å; L125-V127 HydrophobicContact CD2-CG2 4Å; L125-V127 HydrophobicContact CG-CG2 3.97Å
128L93.9Very high94Very high17 Ų1754.3 Ų54.39%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-115.8137.3177.5-65.8-178.2000110.1T34 V35 V36 S37 Q126 S201 V202T34-L128 HydrophobicContact CG2-CD1 3.86Å; T34-L128 HydrophobicContact CG2-CG 4.17Å; V35-L128 PolarHBondContact O-N 2.86Å; V36-L128 WeakPolarHBondContact CA-O 3.35Å; S37-L128 PolarHBondContact N-O 2.76Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å; Q126-L128 HydrophobicContact CG-CG 4.25Å; L128-S201 WeakPolarHBondContact CD1-OG 3.16Å; L128-V202 HydrophobicContact CB-CG1 4.12Å; L128-V202 HydrophobicContact CB-CG2 3.6Å; L128-V202 HydrophobicContact CD1-CG1 4.17Å; L128-V202 HydrophobicContact CD1-CG2 4.35Å
129D92.9Very high94Very high69 Ų6954 Ų5437%0.36927%0.267SS..PPolyproline II helixtrans-72.2145.8168.5-63.1-45.7000110.1S37 K101 N200S37-D129 WeakPolarHBondContact CB-OD1 3.36Å; S37-D129 PolarHBondContact OG-OD1 2.97Å; K101-D129 WeakPolarHBondContact CD-OD2 3.41Å; D129-N200 PolarHBondContact O-ND2 2.04Å
130P92.5Very high93.6Very high69 Ų6955.2 Ų55.245%0.44827%0.272SS..PPolyproline II helixtrans-56.4140.3167.7-23.333000111.2V36 S203V36-P130 HydrophobicContact CG1-CG 3.74Å; P130-S203 VanDerWaalsContact CA-OG 3.3Å; P130-S203 WeakPolarHBondContact CA-OG 3.3Å
131V93.4Very high93.2Very high8 Ų855.3 Ų55.35%0.04827%0.273CS..PPolyproline II helixtrans-62.7136.5176.9-61.50000110V161 V198 N200 S203 K205V131-V161 HydrophobicContact CG1-CG1 3.96Å; V131-V198 HydrophobicContact CB-CG2 4.33Å; V131-V198 HydrophobicContact CG2-CG2 4.13Å; V131-N200 HydrophobicContact CG1-CB 3.93Å; V131-S203 PolarHBondContact N-OG 3Å; V131-K205 HydrophobicContact CG2-CB 3.95Å; V131-K205 HydrophobicContact CG2-CG 3.81Å; V131-K205 WeakPolarHBondContact O-CG 3.16Å
132P93.1Very high92.6Very high49 Ų4958.2 Ų58.232%0.31829%0.287SS..PPolyproline II helixtrans-68.4163174.730.4-35.7000110.4P134 I156 P157P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-I156 HydrophobicContact CG-CB 4.03Å; P132-I156 HydrophobicContact CG-CG2 4.23Å; P132-P157 HydrophobicContact CB-CG 4.13Å; P132-P157 HydrophobicContact CG-CG 3.87Å
133K93.1Very high91.7Very high160 Ų16060.9 Ų60.970%0.69630%0.304SS*.PPolyproline II helixtrans-67.4124.5174.6-171.4173.9-176.8175.90109.5
134P95.4Very high90.6Very high5 Ų565.3 Ų65.33%0.03233%0.326CS..PPolyproline II helixtrans-72.6148.118030.6-35.4000111.5P132 C154 I156 V198P132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-C154 VanDerWaalsContact CB-SG 3.55Å; P134-I156 HydrophobicContact CB-CG2 3.71Å; P134-V198 HydrophobicContact CB-CG1 3.93Å; P134-V198 HydrophobicContact CB-CG2 3.96Å; P134-V198 HydrophobicContact CG-CG1 4.32Å; P134-V198 HydrophobicContact CG-CG2 3.78Å
135V94.3Very high89.2Confident90 Ų9068 Ų6855%0.54535%0.345SS..EExtended strand (participates in β ladder)trans-112.3120.7173179.90000108.3V155V135-V155 PolarHBondContact N-O 2.82Å; V135-V155 PolarHBondContact O-N 2.87Å
136I94.8Very high88Confident27 Ų2774 Ų7414%0.13838%0.377CS..EExtended strand (participates in β ladder)trans-85.6118.9174.3-60.2169000108.3L152 S153 W165 C196 G207 V209I136-L152 HydrophobicContact CG2-CB 4.15Å; I136-L152 HydrophobicContact CG2-CD2 4.42Å; I136-S153 CarbonylContact C-O 3.52Å; I136-S153 WeakPolarHBondContact CA-O 3.1Å; I136-W165 HydrophobicContact CD1-CH2 4.26Å; I136-W165 HydrophobicContact CD1-CZ3 3.87Å; I136-W165 HydrophobicContact CG1-CH2 4.1Å; I136-W165 HydrophobicContact CG1-CZ3 4.23Å; I136-W165 HydrophobicContact CG2-CH2 4.03Å; I136-W165 HydrophobicContact CG2-CZ3 4.37Å; I136-C196 HydrophobicContact CD1-CB 3.9Å; I136-C196 HydrophobicContact CG1-CB 3.94Å; I136-G207 WeakPolarHBondContact CD1-O 3.13Å; I136-V209 HydrophobicContact CB-CG1 4.3Å; I136-V209 HydrophobicContact CD1-CG1 4.17Å; I136-V209 HydrophobicContact CG2-CB 4.43Å; I136-V209 HydrophobicContact CG2-CG1 3.74Å
137K93.5Very high87Confident123 Ų12372.4 Ų72.454%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-96.7139.7168.6-64.8-172.5-177.61790109.1L152 S153 V155K137-L152 WeakPolarHBondContact O-CA 3.4Å; K137-S153 PolarHBondContact N-O 2.91Å; K137-S153 PolarHBondContact O-N 2.8Å; K137-V155 HydrophobicContact CD-CG2 3.92Å; K137-V155 HydrophobicContact CG-CG2 4.08Å
138I90.3Very high86.2Confident55 Ų5572.6 Ų72.628%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-91.7113170.9-56.7-174000106.5I141 L152 V209 L211 L217I138-I141 HydrophobicContact CD1-CD1 4.2Å; I138-I141 HydrophobicContact CG2-CD1 3.68Å; I138-I141 HydrophobicContact CG2-CG1 3.36Å; I138-L152 HydrophobicContact CB-CD2 4.25Å; I138-L152 HydrophobicContact CG1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.25Å; I138-V209 HydrophobicContact CD1-CG2 4.22Å; I138-L211 HydrophobicContact CD1-CD2 3.97Å; I138-L217 HydrophobicContact CD1-CD1 3.26Å; I138-L217 HydrophobicContact CG1-CD1 4.5Å
139E90.5Very high85.9Confident102 Ų10273.9 Ų73.948%0.47738%0.376SS..EExtended strand (participates in β ladder)trans-85.9-38.5177.9-61.6-163.616400111.7K151 S153E139-K151 HydrophobicContact CB-CB 4.26Å; E139-K151 HydrophobicContact CB-CD 4.26Å; E139-K151 HydrophobicContact CB-CG 4.06Å; E139-K151 PolarHBondContact N-O 2.85Å; E139-K151 WeakPolarHBondContact OE2-CD 3.49Å; E139-K151 WeakPolarHBondContact OE2-CE 3.47Å; E139-K151 IonicContact OE2-NZ 2.81Å; E139-K151 PolarHBondContact OE2-NZ 2.81Å; E139-S153 WeakPolarHBondContact CG-OG 3.14Å; E139-S153 WeakPolarHBondContact OE1-CB 3.39Å; E139-S153 PolarHBondContact OE1-OG 2.78Å
140K84.6Confident85.7Confident85 Ų8570.6 Ų70.637%0.3736%0.359SS..EExtended strand (participates in β ladder)trans-147137-177.4-145.1-169-158.3-161.30110.9E142 Y149 L150 K151K140-E142 HydrophobicContact CD-CG 4.12Å; K140-E142 WeakPolarHBondContact CE-OE1 3.36Å; K140-E142 VanDerWaalsContact CE-OE2 3.3Å; K140-E142 WeakPolarHBondContact CE-OE2 2.94Å; K140-E142 HydrophobicContact CG-CG 4.22Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.06Å; K140-E142 IonicContact NZ-OE2 3.62Å; K140-E142 PolarHBondContact NZ-OE2 3.14Å; K140-Y149 HydrophobicContact CB-CE1 4.37Å; K140-Y149 HydrophobicContact CD-CD1 3.92Å; K140-Y149 HydrophobicContact CD-CE1 3.65Å; K140-L150 WeakPolarHBondContact O-CA 3.39Å; K140-K151 HydrophobicContact CB-CB 3.72Å; K140-K151 PolarHBondContact N-O 2.94Å; K140-K151 PolarHBondContact O-N 2.88Å
141I84.4Confident85.7Confident59 Ų5970.1 Ų70.130%0.30335%0.349SS..EExtended strand (participates in β ladder)trans-132.1120.1163.5-54.6-173.1000105.9I138 Y149 L150 L211 C215I138-I141 HydrophobicContact CD1-CD1 4.2Å; I138-I141 HydrophobicContact CG2-CD1 3.68Å; I138-I141 HydrophobicContact CG2-CG1 3.36Å; I141-Y149 WeakPolarHBondContact CA-O 3.02Å; I141-L150 HydrophobicContact CB-CD2 4.2Å; I141-L150 HydrophobicContact CD1-CD2 4.29Å; I141-L150 HydrophobicContact CG1-CD2 3.76Å; I141-L150 HydrophobicContact CG2-CD2 3.95Å; I141-L211 HydrophobicContact CD1-CD2 4.11Å; I141-C215 HydrophobicContact CG2-CB 3.63Å
142E82.2Confident85.7Confident66 Ų6669.7 Ų69.731%0.30835%0.347SS..EExtended strand (participates in β ladder)trans-128.6131.7174.4-74.5178.5158.400109.9K140 M144 C148 Y149K140-E142 HydrophobicContact CD-CG 4.12Å; K140-E142 WeakPolarHBondContact CE-OE1 3.36Å; K140-E142 VanDerWaalsContact CE-OE2 3.3Å; K140-E142 WeakPolarHBondContact CE-OE2 2.94Å; K140-E142 HydrophobicContact CG-CG 4.22Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.06Å; K140-E142 IonicContact NZ-OE2 3.62Å; K140-E142 PolarHBondContact NZ-OE2 3.14Å; E142-M144 HydrophobicContact CB-CE 4.1Å; E142-M144 HydrophobicContact CB-CG 4.44Å; E142-M144 WeakPolarHBondContact OE2-CE 3.38Å; E142-C148 CarbonylContact O-C 3.54Å; E142-C148 WeakPolarHBondContact O-CA 3.49Å; E142-Y149 PolarHBondContact N-O 3.22Å; E142-Y149 PolarHBondContact O-N 3.3Å
143D75Confident85.8Confident106 Ų10667.8 Ų67.857%0.56734%0.335SS*.EExtended strand (participates in β ladder)trans-87.1118.4170.8-162-19.3000107.9
144M72.7Confident85.9Confident96 Ų9660.4 Ų60.447%0.47330%0.303SS..EExtended strand (participates in β ladder)trans-129.694.3-176.6-67.5-172.5-178.800108.8E142 D146 N147E142-M144 HydrophobicContact CB-CE 4.1Å; E142-M144 HydrophobicContact CB-CG 4.44Å; E142-M144 WeakPolarHBondContact OE2-CE 3.38Å; M144-D146 PolarHBondContact O-N 3.31Å; M144-N147 PolarHBondContact N-O 2.89Å; M144-N147 WeakPolarHBondContact O-CA 3.38Å; M144-N147 WeakPolarHBondContact O-CB 3.43Å; M144-N147 PolarHBondContact O-N 2.86Å
145D68.5Low85.8Confident153 Ų15362.9 Ų62.982%0.81832%0.318SS*.THydrogen-bonded Turntrans48.163.4173-58.6-37.1000112.4N147D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.13Å; D145-N147 PolarHBondContact O-ND2 2.94Å
146D70.2Confident85.7Confident129 Ų12959.6 Ų59.669%0.6930%0.297SS*.THydrogen-bonded Turntrans67.3-6.7-173.5-53-51.6000115.8M144 P187M144-D146 PolarHBondContact O-N 3.31Å; D146-P187 HydrophobicContact CB-CB 4.11Å; D146-P187 HydrophobicContact CB-CG 3.66Å; D146-P187 WeakPolarHBondContact O-CB 3.41Å; D146-P187 WeakPolarHBondContact O-CD 3.3Å; D146-P187 WeakPolarHBondContact O-CG 2.87Å
147N76.1Confident85.2Confident53 Ų5363 Ų6328%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-97.6143.5175.5-61.9-64.6000112.4M144 D145 T184 L185 P187M144-N147 PolarHBondContact N-O 2.89Å; M144-N147 WeakPolarHBondContact O-CA 3.38Å; M144-N147 WeakPolarHBondContact O-CB 3.43Å; M144-N147 PolarHBondContact O-N 2.86Å; D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.13Å; D145-N147 PolarHBondContact O-ND2 2.94Å; N147-T184 HydrophobicContact CB-CG2 3.64Å; N147-L185 CarbonylContact C-O 3.56Å; N147-L185 VanDerWaalsContact CA-O 3.3Å; N147-L185 WeakPolarHBondContact CA-O 3.33Å; N147-P187 WeakPolarHBondContact OD1-CD 3.15Å
148C79.1Confident84.2Confident3 Ų360.9 Ų60.92%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-99.9107.4175.2-148.80000110.7E142 T184 L185 C215E142-C148 CarbonylContact O-C 3.54Å; E142-C148 WeakPolarHBondContact O-CA 3.49Å; C148-T184 CarbonylContact O-C 3.48Å; C148-T184 VanDerWaalsContact O-CA 3.27Å; C148-T184 WeakPolarHBondContact O-CA 3.34Å; C148-L185 HydrophobicContact CB-CB 3.62Å; C148-L185 HydrophobicContact CB-CD1 3.82Å; C148-L185 HydrophobicContact CB-CG 4.08Å; C148-L185 PolarHBondContact N-O 3.41Å; C148-L185 PolarHBondContact O-N 2.82Å; C148-C215 HydrophobicContact CB-CB 4.31Å; C148-C215 WeakPolarHBondContact CB-SG 3.06Å; C148-C215 WeakPolarHBondContact SG-CB 3.42Å; C148-C215 CovalentContact SG-SG 2.01Å; C148-C215 PolarHBondContact SG-SG 3.16Å
149Y86.9Confident83.1Confident45 Ų4564.2 Ų64.218%0.17635%0.348CS..EExtended strand (participates in β ladder)trans-77128166.5175.7-95.1000109.9K140 I141 E142 K151 E182K140-Y149 HydrophobicContact CB-CE1 4.37Å; K140-Y149 HydrophobicContact CD-CD1 3.92Å; K140-Y149 HydrophobicContact CD-CE1 3.65Å; I141-Y149 WeakPolarHBondContact CA-O 3.02Å; E142-Y149 PolarHBondContact N-O 3.22Å; E142-Y149 PolarHBondContact O-N 3.3Å; Y149-K151 HydrophobicContact CE1-CB 4.22Å; Y149-E182 PolarHBondContact OH-OE2 2.89Å
150L88.5Confident82.6Confident0 Ų065.3 Ų65.30%037%0.367CS..EExtended strand (participates in β ladder)trans-126.1133-178-63.6171.1000110.9K140 I141 E182 T183 L185 Y194 L211K140-L150 WeakPolarHBondContact O-CA 3.39Å; I141-L150 HydrophobicContact CB-CD2 4.2Å; I141-L150 HydrophobicContact CD1-CD2 4.29Å; I141-L150 HydrophobicContact CG1-CD2 3.76Å; I141-L150 HydrophobicContact CG2-CD2 3.95Å; L150-E182 WeakPolarHBondContact O-CA 3.32Å; L150-T183 HydrophobicContact CB-CG2 4.36Å; L150-T183 PolarHBondContact N-O 2.91Å; L150-T183 PolarHBondContact O-N 2.92Å; L150-L185 HydrophobicContact CD1-CD1 3.56Å; L150-L185 HydrophobicContact CD1-CG 3.71Å; L150-L185 HydrophobicContact CG-CD1 4.47Å; L150-Y194 HydrophobicContact CD1-CE2 3.79Å; L150-Y194 WeakPolarHBondContact CD1-OH 3.44Å; L150-L211 HydrophobicContact CD1-CD1 3.3Å; L150-L211 HydrophobicContact CD2-CD1 3.49Å; L150-L211 VanDerWaalsContact CD2-CD1 3.49Å; L150-L211 HydrophobicContact CG-CD1 4.03Å
151K92.4Very high82.9Confident58 Ų5862 Ų6225%0.25235%0.354SS..EExtended strand (participates in β ladder)trans-121.3112.5167.6-171.9174-171.4-136.90109.5E139 K140 Y149 V180 E182E139-K151 HydrophobicContact CB-CB 4.26Å; E139-K151 HydrophobicContact CB-CD 4.26Å; E139-K151 HydrophobicContact CB-CG 4.06Å; E139-K151 PolarHBondContact N-O 2.85Å; E139-K151 WeakPolarHBondContact OE2-CD 3.49Å; E139-K151 WeakPolarHBondContact OE2-CE 3.47Å; E139-K151 IonicContact OE2-NZ 2.81Å; E139-K151 PolarHBondContact OE2-NZ 2.81Å; K140-K151 HydrophobicContact CB-CB 3.72Å; K140-K151 PolarHBondContact N-O 2.94Å; K140-K151 PolarHBondContact O-N 2.88Å; Y149-K151 HydrophobicContact CE1-CB 4.22Å; K151-V180 HydrophobicContact CG-CG1 3.97Å; K151-E182 HydrophobicContact CB-CG 4.31Å; K151-E182 HydrophobicContact CD-CG 4.24Å; K151-E182 WeakPolarHBondContact CE-OE1 3.43Å; K151-E182 HydrophobicContact CG-CG 3.83Å
152L93.7Very high83.4Confident0 Ų064.7 Ų64.70%037%0.369CS..EExtended strand (participates in β ladder)trans-113.6135.9-178-57.1-179000110.1I136 K137 I138 W165 V180 L181 Y194 V209I136-L152 HydrophobicContact CG2-CB 4.15Å; I136-L152 HydrophobicContact CG2-CD2 4.42Å; K137-L152 WeakPolarHBondContact O-CA 3.4Å; I138-L152 HydrophobicContact CB-CD2 4.25Å; I138-L152 HydrophobicContact CG1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.25Å; L152-W165 HydrophobicContact CB-CH2 3.77Å; L152-W165 HydrophobicContact CB-CZ2 4.45Å; L152-W165 HydrophobicContact CB-CZ3 4.24Å; L152-W165 HydrophobicContact CD1-CZ3 4.18Å; L152-V180 CarbonylContact O-C 3.51Å; L152-V180 WeakPolarHBondContact O-CA 3.12Å; L152-L181 HydrophobicContact CB-CB 4.44Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å; L152-L181 PolarHBondContact N-O 2.91Å; L152-L181 PolarHBondContact O-N 2.78Å; L152-Y194 HydrophobicContact CD1-CD1 3.98Å; L152-Y194 HydrophobicContact CD1-CD2 4.05Å; L152-Y194 HydrophobicContact CD1-CG 3.62Å; L152-V209 HydrophobicContact CD1-CG1 4.26Å
153S95.1Very high84Confident9 Ų963.8 Ų63.86%0.06336%0.363CS..EExtended strand (participates in β ladder)trans-117.5123.1176.7-76.10000111.1I136 K137 E139I136-S153 CarbonylContact C-O 3.52Å; I136-S153 WeakPolarHBondContact CA-O 3.1Å; K137-S153 PolarHBondContact N-O 2.91Å; K137-S153 PolarHBondContact O-N 2.8Å; E139-S153 WeakPolarHBondContact CG-OG 3.14Å; E139-S153 WeakPolarHBondContact OE1-CB 3.39Å; E139-S153 PolarHBondContact OE1-OG 2.78Å
154C94.9Very high85Confident4 Ų460.3 Ų60.33%0.02735%0.346CS..EExtended strand (participates in β ladder)trans-91.6106.7176.4-171.90000109.8P134 Y163 W165 S179 C196P134-C154 VanDerWaalsContact CB-SG 3.55Å; C154-Y163 HydrophobicContact CB-CD1 4.11Å; C154-Y163 HydrophobicContact CB-CE1 4.11Å; C154-W165 HydrophobicContact CB-CH2 3.92Å; C154-W165 HydrophobicContact CB-CZ2 3.48Å; C154-W165 VanDerWaalsContact CB-CZ2 3.48Å; C154-S179 PolarHBondContact N-O 3.19Å; C154-C196 HydrophobicContact CB-CB 3.67Å; C154-C196 WeakPolarHBondContact CB-SG 2.9Å; C154-C196 WeakPolarHBondContact SG-CB 3.38Å; C154-C196 CovalentContact SG-SG 2.02Å; C154-C196 PolarHBondContact SG-SG 3.21Å
155V93.6Very high86.1Confident58 Ų5855.7 Ų55.735%0.35232%0.323SS..EExtended strand (participates in β ladder)trans-103.8129.2-172.7-175.20000110.3V135 K137V135-V155 PolarHBondContact N-O 2.82Å; V135-V155 PolarHBondContact O-N 2.87Å; K137-V155 HydrophobicContact CD-CG2 3.92Å; K137-V155 HydrophobicContact CG-CG2 4.08Å
156I92.1Very high87.4Confident21 Ų2151.2 Ų51.211%0.10830%0.295CS..  trans-131148.7167.554.2152.4000110.4P132 P134 V161 V198P132-I156 HydrophobicContact CG-CB 4.03Å; P132-I156 HydrophobicContact CG-CG2 4.23Å; P134-I156 HydrophobicContact CB-CG2 3.71Å; I156-V161 HydrophobicContact CD1-CB 4.1Å; I156-V161 HydrophobicContact CD1-CG1 3.57Å; I156-V161 HydrophobicContact CD1-CG2 3.37Å; I156-V161 HydrophobicContact CG1-CG2 4.28Å; I156-V198 HydrophobicContact CG2-CB 4.45Å; I156-V198 HydrophobicContact CG2-CG1 4.02Å; I156-V198 HydrophobicContact CG2-CG2 4.03Å
157P85.3Confident88.3Confident99 Ų9945.1 Ų45.164%0.64326%0.263SS*.SBendtrans-73.7137.5165.230-31.5000110.2P132P132-P157 HydrophobicContact CB-CG 4.13Å; P132-P157 HydrophobicContact CG-CG 3.87Å
158G71.3Confident88.7Confident77 Ų7745.6 Ų45.679%0.79427%0.266SS*.SBendtrans109.5-149.8168.700000116.1
159E69.1Low88.9Confident125 Ų12554.6 Ų54.658%0.58430%0.304SS*.SBendtrans-75.1176.1-165.5-74.4175.7167.400115.6K101 V161K101-E159 WeakPolarHBondContact CE-OE1 3.4Å; K101-E159 IonicContact NZ-OE1 2.67Å; K101-E159 PolarHBondContact NZ-OE1 2.81Å; K101-E159 IonicContact NZ-OE2 2.72Å; K101-E159 PolarHBondContact NZ-OE2 2.96Å; E159-V161 PolarHBondContact O-N 2.02Å
160S79.4Confident89Confident125 Ų12562 Ų6287%0.87433%0.332SS*.  trans-58.4117.2170.9-176.20000111.7
161V90.6Very high89.3Confident17 Ų1766.3 Ų66.310%0.10336%0.36CS..  trans-120.4163.8173.6-61.90000110.2V131 I156 E159 Y163 V198 S199V131-V161 HydrophobicContact CG1-CG1 3.96Å; I156-V161 HydrophobicContact CD1-CB 4.1Å; I156-V161 HydrophobicContact CD1-CG1 3.57Å; I156-V161 HydrophobicContact CD1-CG2 3.37Å; I156-V161 HydrophobicContact CG1-CG2 4.28Å; E159-V161 PolarHBondContact O-N 2.02Å; V161-Y163 HydrophobicContact CG2-CD2 4.25Å; V161-Y163 HydrophobicContact CG2-CE1 4.15Å; V161-Y163 HydrophobicContact CG2-CE2 3.65Å; V161-Y163 WeakPolarHBondContact O-CD2 3.24Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; V161-V198 HydrophobicContact CG2-CB 4.03Å; V161-V198 HydrophobicContact CG2-CG1 4.14Å; V161-S199 WeakPolarHBondContact CB-O 3.41Å
162N94.1Very high89.3Confident115 Ų11564.9 Ų64.962%0.61535%0.354SS*.EExtended strand (participates in β ladder)trans-85131.3171-67.3-16.5000110V198 S199N162-V198 CarbonylContact O-C 3.55Å; N162-V198 WeakPolarHBondContact O-CA 3.42Å; N162-S199 PolarHBondContact N-O 3Å; N162-S199 PolarHBondContact O-N 2.81Å; N162-S199 PolarHBondContact O-OG 2.88Å
163Y95.3Very high89.3Confident46 Ų4668.3 Ų68.318%0.1838%0.376CS..EExtended strand (participates in β ladder)trans-100.5142177.4-65.1-92.5000110.6C154 V161 N178 Q197 V198C154-Y163 HydrophobicContact CB-CD1 4.11Å; C154-Y163 HydrophobicContact CB-CE1 4.11Å; V161-Y163 HydrophobicContact CG2-CD2 4.25Å; V161-Y163 HydrophobicContact CG2-CE1 4.15Å; V161-Y163 HydrophobicContact CG2-CE2 3.65Å; V161-Y163 WeakPolarHBondContact O-CD2 3.24Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; Y163-N178 WeakPolarHBondContact CB-O 3.49Å; Y163-Q197 CarbonylContact C-O 3.6Å; Y163-Q197 WeakPolarHBondContact CA-O 2.92Å; Y163-V198 HydrophobicContact CD1-CG1 3.72Å; Y163-V198 HydrophobicContact CE1-CG1 3.64Å
164T96.3Very high89.1Confident33 Ų3376.5 Ų76.520%0.20241%0.411CS..EExtended strand (participates in β ladder)trans-142.6116.7171.1-49.30000110.7Y166 Q197T164-Y166 HydrophobicContact CG2-CD2 4.39Å; T164-Y166 HydrophobicContact CG2-CE1 4.38Å; T164-Y166 HydrophobicContact CG2-CE2 3.58Å; T164-Y166 WeakPolarHBondContact CG2-OH 3.21Å; T164-Q197 PolarHBondContact N-O 2.66Å; T164-Q197 WeakPolarHBondContact O-CB 3.37Å; T164-Q197 PolarHBondContact O-N 2.67Å
165W96.6Very high89Confident0 Ų083.9 Ų83.90%045%0.445CS..EExtended strand (participates in β ladder)trans-93.9140.4176.6-71.399.8000112I136 L152 C154 P171 F172 Q177 N178 L181 T195 C196I136-W165 HydrophobicContact CD1-CH2 4.26Å; I136-W165 HydrophobicContact CD1-CZ3 3.87Å; I136-W165 HydrophobicContact CG1-CH2 4.1Å; I136-W165 HydrophobicContact CG1-CZ3 4.23Å; I136-W165 HydrophobicContact CG2-CH2 4.03Å; I136-W165 HydrophobicContact CG2-CZ3 4.37Å; L152-W165 HydrophobicContact CB-CH2 3.77Å; L152-W165 HydrophobicContact CB-CZ2 4.45Å; L152-W165 HydrophobicContact CB-CZ3 4.24Å; L152-W165 HydrophobicContact CD1-CZ3 4.18Å; C154-W165 HydrophobicContact CB-CH2 3.92Å; C154-W165 HydrophobicContact CB-CZ2 3.48Å; C154-W165 VanDerWaalsContact CB-CZ2 3.48Å; W165-P171 WeakPolarHBondContact O-CA 3.2Å; W165-F172 HydrophobicContact CB-CB 4.36Å; W165-F172 HydrophobicContact CB-CD2 3.8Å; W165-F172 HydrophobicContact CB-CG 4.39Å; W165-F172 PolarHBondContact O-N 2.91Å; W165-Q177 PolarHBondContact O-NE2 3.19Å; W165-N178 PolarHBondContact NE1-O 3.1Å; W165-L181 HydrophobicContact CB-CD1 4.38Å; W165-L181 HydrophobicContact CB-CD2 4.14Å; W165-L181 HydrophobicContact CD2-CB 3.67Å; W165-L181 HydrophobicContact CD2-CD2 3.79Å; W165-L181 HydrophobicContact CD2-CG 4.26Å; W165-L181 HydrophobicContact CE3-CB 4.16Å; W165-L181 HydrophobicContact CE3-CD2 3.66Å; W165-L181 HydrophobicContact CG-CB 3.97Å; W165-L181 HydrophobicContact CG-CD1 4.32Å; W165-L181 HydrophobicContact CG-CD2 4.02Å; W165-L181 HydrophobicContact CG-CG 4.33Å; W165-L181 HydrophobicContact CH2-CB 4.3Å; W165-L181 HydrophobicContact CZ2-CB 3.84Å; W165-L181 HydrophobicContact CZ3-CB 4.44Å; W165-L181 HydrophobicContact CZ3-CD2 4.24Å; W165-T195 CarbonylContact C-O 3.57Å; W165-T195 WeakPolarHBondContact CA-O 2.82Å; W165-C196 HydrophobicContact CD2-CB 4.04Å; W165-C196 HydrophobicContact CE3-CB 3.78Å; W165-C196 HydrophobicContact CH2-CB 3.75Å; W165-C196 HydrophobicContact CZ2-CB 4Å; W165-C196 HydrophobicContact CZ3-CB 3.63Å
166Y94.3Very high88.9Confident58 Ų5883.9 Ų83.923%0.22744%0.443CS..EExtended strand (participates in β ladder)trans-129.4138.2174.2-55-98.5000110.3T164 R170 P171 Y194 T195 Q197T164-Y166 HydrophobicContact CG2-CD2 4.39Å; T164-Y166 HydrophobicContact CG2-CE1 4.38Å; T164-Y166 HydrophobicContact CG2-CE2 3.58Å; T164-Y166 WeakPolarHBondContact CG2-OH 3.21Å; Y166-R170 CarbonylContact C-O 3.46Å; Y166-R170 WeakPolarHBondContact CA-O 3.24Å; Y166-P171 HydrophobicContact CD1-CB 4Å; Y166-P171 HydrophobicContact CE1-CB 3.95Å; Y166-Y194 WeakPolarHBondContact O-CA 3.19Å; Y166-T195 PolarHBondContact N-O 2.75Å; Y166-T195 PolarHBondContact O-N 2.81Å; Y166-Q197 HydrophobicContact CE2-CB 3.9Å
167G90.3Very high89Confident2 Ų285 Ų852%0.02145%0.447CS..EExtended strand (participates in β ladder)trans-112.2120.8167.300000109K169 R170 F172G167-K169 PolarHBondContact O-N 3.48Å; G167-R170 PolarHBondContact N-O 3.47Å; G167-R170 PolarHBondContact O-N 2.84Å; G167-F172 VanDerWaalsContact N-CE2 3.33Å
168D83.8Confident89.4Confident63 Ų6385 Ų8534%0.33744%0.442SS..THydrogen-bonded Turntrans49.643.5-176.2-47.3-48.7000112.9R170 R192 C193D168-R170 PolarHBondContact O-N 2.53Å; D168-R192 WeakPolarHBondContact OD1-CG 3.4Å; D168-R192 WeakPolarHBondContact OD2-CG 3.36Å; D168-R192 IonicContact OD2-CZ 3.8Å; D168-R192 IonicContact OD2-NE 2.85Å; D168-R192 PolarHBondContact OD2-NE 2.8Å; D168-R192 IonicContact OD2-NH2 3.95Å; D168-C193 PolarHBondContact N-O 2.86Å; D168-C193 PolarHBondContact OD1-N 2.97Å
169K82.6Confident90.4Very high192 Ų19283.3 Ų83.384%0.83542%0.418SS*.THydrogen-bonded Turntrans69.82.1-177.2-48.5176.4-179.9177.10115.7G167G167-K169 PolarHBondContact O-N 3.48Å
170R90.1Very high91.7Very high199 Ų19979.5 Ų79.575%0.75140%0.403SS*.EExtended strand (participates in β ladder)trans-95.8133.5173.8-61.8-173-179.1-168.11110.8Y166 G167 D168Y166-R170 CarbonylContact C-O 3.46Å; Y166-R170 WeakPolarHBondContact CA-O 3.24Å; G167-R170 PolarHBondContact N-O 3.47Å; G167-R170 PolarHBondContact O-N 2.84Å; D168-R170 PolarHBondContact O-N 2.53Å
171P93.6Very high92.4Very high91 Ų9173.6 Ų73.659%0.59136%0.362SS*.EExtended strand (participates in β ladder)trans-68.6144-179.628.6-33.9000111.1W165 Y166W165-P171 WeakPolarHBondContact O-CA 3.2Å; Y166-P171 HydrophobicContact CD1-CB 4Å; Y166-P171 HydrophobicContact CE1-CB 3.95Å
172F93.2Very high92.5Very high28 Ų2877.2 Ų77.212%0.12338%0.377CS..PPolyproline II helixtrans-72.6161.4168.9-82-89.3000111.9W165 G167 L176 Q177 L181 T183 Y194W165-F172 HydrophobicContact CB-CB 4.36Å; W165-F172 HydrophobicContact CB-CD2 3.8Å; W165-F172 HydrophobicContact CB-CG 4.39Å; W165-F172 PolarHBondContact O-N 2.91Å; G167-F172 VanDerWaalsContact N-CE2 3.33Å; F172-L176 HydrophobicContact CB-CB 4.35Å; F172-L176 HydrophobicContact CD1-CD1 3.97Å; F172-Q177 PolarHBondContact O-NE2 2.98Å; F172-L181 HydrophobicContact CD1-CD1 4.07Å; F172-L181 HydrophobicContact CD2-CD1 4.33Å; F172-L181 HydrophobicContact CD2-CD2 4.23Å; F172-L181 HydrophobicContact CE1-CD1 4.29Å; F172-L181 HydrophobicContact CE2-CD2 3.85Å; F172-L181 HydrophobicContact CG-CD1 4.1Å; F172-L181 HydrophobicContact CZ-CD2 4.1Å; F172-T183 HydrophobicContact CZ-CG2 4.49Å; F172-Y194 HydrophobicContact CE2-CD1 4.12Å; F172-Y194 HydrophobicContact CE2-CE1 4.21Å; F172-Y194 HydrophobicContact CZ-CD1 4.2Å; F172-Y194 AromaticContact CZ-CE1 3.83Å; F172-Y194 HydrophobicContact CZ-CE1 3.83Å
173P93.8Very high92.2Very high72 Ų7272.8 Ų72.847%0.46836%0.355SS..PPolyproline II helixtrans-52.4151.3170.3-25.334.1000112.7E175 L176 Q177P173-E175 WeakPolarHBondContact CB-OE2 3.47Å; P173-E175 PolarHBondContact O-N 2.86Å; P173-L176 PolarHBondContact O-N 2.72Å; P173-L176 VanDerWaalsContact O-N 3.07Å; P173-Q177 WeakPolarHBondContact O-CG 3.39Å
174K91.6Very high91.7Very high182 Ų18274.2 Ų74.279%0.79137%0.368SS*.G310 helixtrans-60.7-29.9-173.2-74.2-175.1178.8179.30112.7L176 Q177K174-L176 PolarHBondContact O-N 3.34Å; K174-Q177 WeakPolarHBondContact O-CB 3.48Å; K174-Q177 PolarHBondContact O-N 2.93Å; K174-Q177 VanDerWaalsContact O-N 3.16Å
175E92.5Very high90.7Very high158 Ų15873.8 Ų73.874%0.73836%0.364SS*.G310 helixtrans-67.1-23.8-178.7-53.272.2-153.500111.8P173P173-E175 WeakPolarHBondContact CB-OE2 3.47Å; P173-E175 PolarHBondContact O-N 2.86Å
176L91.7Very high89.2Confident59 Ų5980.4 Ų80.431%0.30940%0.397SS..G310 helixtrans-97.54.7178.3-60.5179.6000112.8F172 P173 K174 N178 L181F172-L176 HydrophobicContact CB-CB 4.35Å; F172-L176 HydrophobicContact CD1-CD1 3.97Å; P173-L176 PolarHBondContact O-N 2.72Å; P173-L176 VanDerWaalsContact O-N 3.07Å; K174-L176 PolarHBondContact O-N 3.34Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.25Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å
177Q93.6Very high87.6Confident45 Ų4581.3 Ų81.321%0.2141%0.41CS..  trans-84.870.1-178-56.7-59.9-2.400111.6W165 F172 P173 K174W165-Q177 PolarHBondContact O-NE2 3.19Å; F172-Q177 PolarHBondContact O-NE2 2.98Å; P173-Q177 WeakPolarHBondContact O-CG 3.39Å; K174-Q177 WeakPolarHBondContact O-CB 3.48Å; K174-Q177 PolarHBondContact O-N 2.93Å; K174-Q177 VanDerWaalsContact O-N 3.16Å
178N93.4Very high86.1Confident98 Ų9886.2 Ų86.252%0.52443%0.432SS..SBendtrans-134.1179.1-179.5-154.9-13.1000111.3Y163 W165 L176 V180Y163-N178 WeakPolarHBondContact CB-O 3.49Å; W165-N178 PolarHBondContact NE1-O 3.1Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.25Å; N178-V180 PolarHBondContact O-N 3.05Å
179S93.8Very high85Confident41 Ų4191.3 Ų91.329%0.28746%0.46SS..SBendtrans-58.7-26.9175.158.40000113.2C154C154-S179 PolarHBondContact N-O 3.19Å
180V95.2Very high84.4Confident46 Ų4688.3 Ų88.328%0.27944%0.444SS..EExtended strand (participates in β ladder)trans-114134.9178.2-175.60000109.7K151 L152 N178 E182K151-V180 HydrophobicContact CG-CG1 3.97Å; L152-V180 CarbonylContact O-C 3.51Å; L152-V180 WeakPolarHBondContact O-CA 3.12Å; N178-V180 PolarHBondContact O-N 3.05Å; V180-E182 HydrophobicContact CG1-CG 4.3Å
181L94.3Very high83.9Confident1 Ų181.8 Ų81.81%0.00543%0.428CS..EExtended strand (participates in β ladder)trans-112.5120.7170.317668.2000109.3L152 W165 F172 L176 T183 Y194L152-L181 HydrophobicContact CB-CB 4.44Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å; L152-L181 PolarHBondContact N-O 2.91Å; L152-L181 PolarHBondContact O-N 2.78Å; W165-L181 HydrophobicContact CB-CD1 4.38Å; W165-L181 HydrophobicContact CB-CD2 4.14Å; W165-L181 HydrophobicContact CD2-CB 3.67Å; W165-L181 HydrophobicContact CD2-CD2 3.79Å; W165-L181 HydrophobicContact CD2-CG 4.26Å; W165-L181 HydrophobicContact CE3-CB 4.16Å; W165-L181 HydrophobicContact CE3-CD2 3.66Å; W165-L181 HydrophobicContact CG-CB 3.97Å; W165-L181 HydrophobicContact CG-CD1 4.32Å; W165-L181 HydrophobicContact CG-CD2 4.02Å; W165-L181 HydrophobicContact CG-CG 4.33Å; W165-L181 HydrophobicContact CH2-CB 4.3Å; W165-L181 HydrophobicContact CZ2-CB 3.84Å; W165-L181 HydrophobicContact CZ3-CB 4.44Å; W165-L181 HydrophobicContact CZ3-CD2 4.24Å; F172-L181 HydrophobicContact CD1-CD1 4.07Å; F172-L181 HydrophobicContact CD2-CD1 4.33Å; F172-L181 HydrophobicContact CD2-CD2 4.23Å; F172-L181 HydrophobicContact CE1-CD1 4.29Å; F172-L181 HydrophobicContact CE2-CD2 3.85Å; F172-L181 HydrophobicContact CG-CD1 4.1Å; F172-L181 HydrophobicContact CZ-CD2 4.1Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å; L181-T183 HydrophobicContact CD2-CG2 4.36Å; L181-T183 HydrophobicContact CG-CG2 4.34Å; L181-Y194 HydrophobicContact CD2-CD1 3.78Å; L181-Y194 HydrophobicContact CD2-CE1 4.21Å
182E92.6Very high83.4Confident92 Ų9280.2 Ų80.243%0.4341%0.411SS..EExtended strand (participates in β ladder)trans-109.7124.9169.3-69.9-175.3-157.600109.2Y149 L150 K151 V180Y149-E182 PolarHBondContact OH-OE2 2.89Å; L150-E182 WeakPolarHBondContact O-CA 3.32Å; K151-E182 HydrophobicContact CB-CG 4.31Å; K151-E182 HydrophobicContact CD-CG 4.24Å; K151-E182 WeakPolarHBondContact CE-OE1 3.43Å; K151-E182 HydrophobicContact CG-CG 3.83Å; V180-E182 HydrophobicContact CG1-CG 4.3Å
183T88.1Confident83.2Confident23 Ų2380.9 Ų80.914%0.14142%0.418CS..EExtended strand (participates in β ladder)trans-157.7154.6-177.1-166.70000111.3L150 F172 L181 Y194L150-T183 HydrophobicContact CB-CG2 4.36Å; L150-T183 PolarHBondContact N-O 2.91Å; L150-T183 PolarHBondContact O-N 2.92Å; F172-T183 HydrophobicContact CZ-CG2 4.49Å; L181-T183 HydrophobicContact CD2-CG2 4.36Å; L181-T183 HydrophobicContact CG-CG2 4.34Å; T183-Y194 HydrophobicContact CG2-CE1 3.73Å
184T84.1Confident83.1Confident75 Ų7577.4 Ų77.446%0.4640%0.396SS..EExtended strand (participates in β ladder)trans-109.7126.3177.3-540000109.4N147 C148N147-T184 HydrophobicContact CB-CG2 3.64Å; C148-T184 CarbonylContact O-C 3.48Å; C148-T184 VanDerWaalsContact O-CA 3.27Å; C148-T184 WeakPolarHBondContact O-CA 3.34Å
185L74.9Confident83.3Confident24 Ų2469.9 Ų69.913%0.12637%0.365CS..EExtended strand (participates in β ladder)trans-79.9129.6166.4-67.8171.2000108.9N147 C148 L150 R192 Y194N147-L185 CarbonylContact C-O 3.56Å; N147-L185 VanDerWaalsContact CA-O 3.3Å; N147-L185 WeakPolarHBondContact CA-O 3.33Å; C148-L185 HydrophobicContact CB-CB 3.62Å; C148-L185 HydrophobicContact CB-CD1 3.82Å; C148-L185 HydrophobicContact CB-CG 4.08Å; C148-L185 PolarHBondContact N-O 3.41Å; C148-L185 PolarHBondContact O-N 2.82Å; L150-L185 HydrophobicContact CD1-CD1 3.56Å; L150-L185 HydrophobicContact CD1-CG 3.71Å; L150-L185 HydrophobicContact CG-CD1 4.47Å; L185-R192 HydrophobicContact CD2-CB 4.14Å; L185-R192 HydrophobicContact CD2-CG 4.3Å; L185-Y194 HydrophobicContact CD2-CE2 4.43Å; L185-Y194 WeakPolarHBondContact CD2-OH 3.32Å; L185-Y194 VanDerWaalsContact CG-OH 3.31Å; L185-Y194 WeakPolarHBondContact CG-OH 3.09Å
186M65.1Low83.4Confident140 Ų14062.4 Ų62.469%0.6933%0.33SS*.  trans-75.6143.7157.6-69.6-167.5172.300109.1H188M186-H188 PolarHBondContact O-N 2.77Å
187P62.2Low83.6Confident76 Ų7661.9 Ų61.949%0.49433%0.326SS..  trans-62.3105.6178.925.4-31.9000108.7D146 N147D146-P187 HydrophobicContact CB-CB 4.11Å; D146-P187 HydrophobicContact CB-CG 3.66Å; D146-P187 WeakPolarHBondContact O-CB 3.41Å; D146-P187 WeakPolarHBondContact O-CD 3.3Å; D146-P187 WeakPolarHBondContact O-CG 2.87Å; N147-P187 WeakPolarHBondContact OD1-CD 3.15Å
188H58Low83.7Confident106 Ų10659.8 Ų59.849%0.49132%0.316SS..  trans-122.3144162.9-71.7-36.5000108.3M186 Y190M186-H188 PolarHBondContact O-N 2.77Å; H188-Y190 HydrophobicContact CB-CD1 3.46Å; H188-Y190 VanDerWaalsContact CB-CD1 3.46Å; H188-Y190 HydrophobicContact CB-CE1 3.2Å; H188-Y190 HydrophobicContact CB-CG 4.33Å; H188-Y190 AromaticContact CD2-CE1 3.59Å; H188-Y190 AromaticContact CD2-CZ 3.83Å; H188-Y190 PolarHBondContact CD2-OH 2.75Å; H188-Y190 AromaticContact CG-CE1 3.59Å; H188-Y190 PolarHBondContact O-N 3.23Å
189N60.6Low83.8Confident170 Ų17056.2 Ų56.291%0.90930%0.299SS*.SBendtrans-68.115.9-177.6-68.7-29.8000114.1
190Y71.1Confident83.8Confident129 Ų12956.1 Ų56.151%0.50630%0.296SS..SBendtrans-120.5146.4-178.166.1-98.9000111.6H188H188-Y190 HydrophobicContact CB-CD1 3.46Å; H188-Y190 VanDerWaalsContact CB-CD1 3.46Å; H188-Y190 HydrophobicContact CB-CE1 3.2Å; H188-Y190 HydrophobicContact CB-CG 4.33Å; H188-Y190 AromaticContact CD2-CE1 3.59Å; H188-Y190 AromaticContact CD2-CZ 3.83Å; H188-Y190 PolarHBondContact CD2-OH 2.75Å; H188-Y190 AromaticContact CG-CE1 3.59Å; H188-Y190 PolarHBondContact O-N 3.23Å
191S79Confident83.6Confident61 Ų6158.5 Ų58.543%0.42731%0.314SS..  trans-70.7139.6175.7-62.40000110.5L211 S212S191-L211 CarbonylContact C-O 3.49Å; S191-L211 WeakPolarHBondContact CA-O 3.11Å; S191-L211 WeakPolarHBondContact CB-O 3.38Å; S191-S212 WeakPolarHBondContact OG-CB 3.11Å; S191-S212 PolarHBondContact OG-OG 3.07Å
192R83.3Confident83.5Confident59 Ų5960.2 Ų60.222%0.22332%0.324CS..EExtended strand (participates in β ladder)trans-115.4136.5-178.8-156.1-179.8-171.2-172.8-5.2111.4D168 L185 Y194 C210 L211D168-R192 WeakPolarHBondContact OD1-CG 3.4Å; D168-R192 WeakPolarHBondContact OD2-CG 3.36Å; D168-R192 IonicContact OD2-CZ 3.8Å; D168-R192 IonicContact OD2-NE 2.85Å; D168-R192 PolarHBondContact OD2-NE 2.8Å; D168-R192 IonicContact OD2-NH2 3.95Å; L185-R192 HydrophobicContact CD2-CB 4.14Å; L185-R192 HydrophobicContact CD2-CG 4.3Å; R192-Y194 HydrophobicContact CB-CE2 4.31Å; R192-Y194 HydrophobicContact CG-CE2 4.37Å; R192-C210 CarbonylContact O-C 3.58Å; R192-C210 VanDerWaalsContact O-CA 3.32Å; R192-C210 WeakPolarHBondContact O-CA 3.27Å; R192-L211 PolarHBondContact N-O 2.98Å; R192-L211 PolarHBondContact O-N 2.78Å
193C88.4Confident83.6Confident41 Ų4157 Ų5728%0.27731%0.313SS..EExtended strand (participates in β ladder)trans-110.8132.2178.3-61.70000111.9D168 T208 V209 C210D168-C193 PolarHBondContact N-O 2.86Å; D168-C193 PolarHBondContact OD1-N 2.97Å; C193-T208 HydrophobicContact CB-CG2 4Å; C193-V209 CarbonylContact C-O 3.48Å; C193-V209 WeakPolarHBondContact CA-O 3.3Å; C193-C210 HydrophobicContact CB-CB 4.13Å; C193-C210 WeakPolarHBondContact CB-SG 3.14Å; C193-C210 WeakPolarHBondContact SG-CB 2.99Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 3.37Å
194Y91.1Very high83.9Confident0 Ų058.6 Ų58.60%032%0.324CS..EExtended strand (participates in β ladder)trans-107.9124.8176.9-65.8-88.9000109.4L150 L152 Y166 F172 L181 T183 L185 R192 T208 V209 L211L150-Y194 HydrophobicContact CD1-CE2 3.79Å; L150-Y194 WeakPolarHBondContact CD1-OH 3.44Å; L152-Y194 HydrophobicContact CD1-CD1 3.98Å; L152-Y194 HydrophobicContact CD1-CD2 4.05Å; L152-Y194 HydrophobicContact CD1-CG 3.62Å; Y166-Y194 WeakPolarHBondContact O-CA 3.19Å; F172-Y194 HydrophobicContact CE2-CD1 4.12Å; F172-Y194 HydrophobicContact CE2-CE1 4.21Å; F172-Y194 HydrophobicContact CZ-CD1 4.2Å; F172-Y194 AromaticContact CZ-CE1 3.83Å; F172-Y194 HydrophobicContact CZ-CE1 3.83Å; L181-Y194 HydrophobicContact CD2-CD1 3.78Å; L181-Y194 HydrophobicContact CD2-CE1 4.21Å; T183-Y194 HydrophobicContact CG2-CE1 3.73Å; L185-Y194 HydrophobicContact CD2-CE2 4.43Å; L185-Y194 WeakPolarHBondContact CD2-OH 3.32Å; L185-Y194 VanDerWaalsContact CG-OH 3.31Å; L185-Y194 WeakPolarHBondContact CG-OH 3.09Å; R192-Y194 HydrophobicContact CB-CE2 4.31Å; R192-Y194 HydrophobicContact CG-CE2 4.37Å; Y194-T208 CarbonylContact O-C 3.48Å; Y194-T208 VanDerWaalsContact O-CA 3.24Å; Y194-T208 WeakPolarHBondContact O-CA 3.32Å; Y194-V209 PolarHBondContact N-O 3Å; Y194-V209 PolarHBondContact O-N 2.86Å; Y194-L211 HydrophobicContact CD2-CD1 4.26Å; Y194-L211 HydrophobicContact CE2-CD1 3.95Å
195T95.8Very high84.5Confident24 Ų2460.3 Ų60.315%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-116.2121.9178.2-58.90000109.4W165 Y166 N206 G207 T208W165-T195 CarbonylContact C-O 3.57Å; W165-T195 WeakPolarHBondContact CA-O 2.82Å; Y166-T195 PolarHBondContact N-O 2.75Å; Y166-T195 PolarHBondContact O-N 2.81Å; T195-N206 HydrophobicContact CG2-CB 3.84Å; T195-G207 CarbonylContact C-O 3.55Å; T195-G207 VanDerWaalsContact CA-O 3.24Å; T195-G207 WeakPolarHBondContact CA-O 3.21Å; T195-G207 WeakPolarHBondContact CG2-O 3.49Å; T195-T208 WeakPolarHBondContact OG1-CG2 3.46Å; T195-T208 PolarHBondContact OG1-OG1 2.81Å
196C95.9Very high85.4Confident0 Ų063.1 Ų63.10%034%0.34CS..EExtended strand (participates in β ladder)trans-96125.3166.31740000108.3I136 C154 W165 N206 G207I136-C196 HydrophobicContact CD1-CB 3.9Å; I136-C196 HydrophobicContact CG1-CB 3.94Å; C154-C196 HydrophobicContact CB-CB 3.67Å; C154-C196 WeakPolarHBondContact CB-SG 2.9Å; C154-C196 WeakPolarHBondContact SG-CB 3.38Å; C154-C196 CovalentContact SG-SG 2.02Å; C154-C196 PolarHBondContact SG-SG 3.21Å; W165-C196 HydrophobicContact CD2-CB 4.04Å; W165-C196 HydrophobicContact CE3-CB 3.78Å; W165-C196 HydrophobicContact CH2-CB 3.75Å; W165-C196 HydrophobicContact CZ2-CB 4Å; W165-C196 HydrophobicContact CZ3-CB 3.63Å; C196-N206 CarbonylContact O-C 3.55Å; C196-N206 WeakPolarHBondContact O-CA 3.49Å; C196-N206 WeakPolarHBondContact O-CB 3.39Å; C196-G207 PolarHBondContact N-O 2.95Å; C196-G207 PolarHBondContact O-N 2.84Å
197Q96.3Very high86.8Confident49 Ų4956.8 Ų56.823%0.22931%0.311CS..EExtended strand (participates in β ladder)trans-105.7127.4168.6-175.3177.3-79.400109Y163 T164 Y166 S204 K205 N206Y163-Q197 CarbonylContact C-O 3.6Å; Y163-Q197 WeakPolarHBondContact CA-O 2.92Å; T164-Q197 PolarHBondContact N-O 2.66Å; T164-Q197 WeakPolarHBondContact O-CB 3.37Å; T164-Q197 PolarHBondContact O-N 2.67Å; Y166-Q197 HydrophobicContact CE2-CB 3.9Å; Q197-S204 VanDerWaalsContact CD-OG 3.25Å; Q197-S204 WeakPolarHBondContact CG-OG 3.31Å; Q197-K205 CarbonylContact C-O 3.54Å; Q197-K205 WeakPolarHBondContact CA-O 3.07Å; Q197-N206 HydrophobicContact CB-CB 4.24Å; Q197-N206 HydrophobicContact CG-CB 4.47Å
198V95.7Very high88.4Confident0 Ų057 Ų570%031%0.311CS..EExtended strand (participates in β ladder)trans-108.6140.2171.6-65.50000108.8V131 P134 I156 V161 N162 Y163 S204 K205V131-V198 HydrophobicContact CB-CG2 4.33Å; V131-V198 HydrophobicContact CG2-CG2 4.13Å; P134-V198 HydrophobicContact CB-CG1 3.93Å; P134-V198 HydrophobicContact CB-CG2 3.96Å; P134-V198 HydrophobicContact CG-CG1 4.32Å; P134-V198 HydrophobicContact CG-CG2 3.78Å; I156-V198 HydrophobicContact CG2-CB 4.45Å; I156-V198 HydrophobicContact CG2-CG1 4.02Å; I156-V198 HydrophobicContact CG2-CG2 4.03Å; V161-V198 HydrophobicContact CG2-CB 4.03Å; V161-V198 HydrophobicContact CG2-CG1 4.14Å; N162-V198 CarbonylContact O-C 3.55Å; N162-V198 WeakPolarHBondContact O-CA 3.42Å; Y163-V198 HydrophobicContact CD1-CG1 3.72Å; Y163-V198 HydrophobicContact CE1-CG1 3.64Å; V198-S204 WeakPolarHBondContact O-CA 3.41Å; V198-K205 HydrophobicContact CG2-CB 4.34Å; V198-K205 WeakPolarHBondContact CG2-O 3.44Å; V198-K205 PolarHBondContact N-O 2.85Å; V198-K205 PolarHBondContact O-N 2.01Å
199S94.8Very high90Very high23 Ų2353 Ų5316%0.16129%0.294CS..EExtended strand (participates in β ladder)trans-149.2149.3-177.558.80000113.3V161 N162 S203V161-S199 WeakPolarHBondContact CB-O 3.41Å; N162-S199 PolarHBondContact N-O 3Å; N162-S199 PolarHBondContact O-N 2.81Å; N162-S199 PolarHBondContact O-OG 2.88Å; S199-S203 WeakPolarHBondContact CA-O 3.45Å
200N93.1Very high91.3Very high40 Ų4047.1 Ų47.121%0.21427%0.266CS..EExtended strand (participates in β ladder)trans-124.1-177.4162.467.27.9000108.8D129 V131 V202 S203D129-N200 PolarHBondContact O-ND2 2.04Å; V131-N200 HydrophobicContact CG1-CB 3.93Å; N200-V202 PolarHBondContact O-N 3.38Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.49Å; N200-V202 PolarHBondContact OD1-N 3.05Å; N200-V202 VanDerWaalsContact OD1-N 3.14Å; N200-S203 PolarHBondContact N-O 2.85Å; N200-S203 PolarHBondContact O-N 2.88Å; N200-S203 PolarHBondContact OD1-N 2.87Å; N200-S203 PolarHBondContact OD1-O 2.86Å; N200-S203 PolarHBondContact OD1-OG 3.17Å
201S91.9Very high91.8Very high95 Ų9541.1 Ų41.166%0.66424%0.242SC*.THydrogen-bonded Turntrans-65-11.3-176.9540000114.6L128L128-S201 WeakPolarHBondContact CD1-OG 3.16Å
202V91.8Very high91.7Very high37 Ų3739.7 Ų39.722%0.22423%0.233CC..THydrogen-bonded Turntrans-114.8-14.4-176.4-61.40000114.2T34 V36 L128 N200T34-V202 HydrophobicContact CG2-CG1 3.79Å; V36-V202 HydrophobicContact CG2-CB 3.74Å; V36-V202 HydrophobicContact CG2-CG1 4.21Å; V36-V202 HydrophobicContact CG2-CG2 4.37Å; L128-V202 HydrophobicContact CB-CG1 4.12Å; L128-V202 HydrophobicContact CB-CG2 3.6Å; L128-V202 HydrophobicContact CD1-CG1 4.17Å; L128-V202 HydrophobicContact CD1-CG2 4.35Å; N200-V202 PolarHBondContact O-N 3.38Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.49Å; N200-V202 PolarHBondContact OD1-N 3.05Å; N200-V202 VanDerWaalsContact OD1-N 3.14Å
203S94Very high91Very high26 Ų2639.8 Ų39.818%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-161.9156.8-173.663.90000113.2P130 V131 S199 N200P130-S203 VanDerWaalsContact CA-OG 3.3Å; P130-S203 WeakPolarHBondContact CA-OG 3.3Å; V131-S203 PolarHBondContact N-OG 3Å; S199-S203 WeakPolarHBondContact CA-O 3.45Å; N200-S203 PolarHBondContact N-O 2.85Å; N200-S203 PolarHBondContact O-N 2.88Å; N200-S203 PolarHBondContact OD1-N 2.87Å; N200-S203 PolarHBondContact OD1-O 2.86Å; N200-S203 PolarHBondContact OD1-OG 3.17Å
204S95Very high89.9Confident55 Ų5542.5 Ų42.539%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-139.6138.8174.9179.70000110.2Q197 V198Q197-S204 VanDerWaalsContact CD-OG 3.25Å; Q197-S204 WeakPolarHBondContact CG-OG 3.31Å; V198-S204 WeakPolarHBondContact O-CA 3.41Å
205K95.8Very high88.6Confident111 Ų11143.7 Ų43.748%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-138.2154.9175.1-67.8-64.1179.7-170.40109.8V131 Q197 V198V131-K205 HydrophobicContact CG2-CB 3.95Å; V131-K205 HydrophobicContact CG2-CG 3.81Å; V131-K205 WeakPolarHBondContact O-CG 3.16Å; Q197-K205 CarbonylContact C-O 3.54Å; Q197-K205 WeakPolarHBondContact CA-O 3.07Å; V198-K205 HydrophobicContact CG2-CB 4.34Å; V198-K205 WeakPolarHBondContact CG2-O 3.44Å; V198-K205 PolarHBondContact N-O 2.85Å; V198-K205 PolarHBondContact O-N 2.01Å
206N95.5Very high87.3Confident83 Ų8346.1 Ų46.144%0.44428%0.281SS..EExtended strand (participates in β ladder)trans-132160.5178.561.315.6000112.5T195 C196 Q197T195-N206 HydrophobicContact CG2-CB 3.84Å; C196-N206 CarbonylContact O-C 3.55Å; C196-N206 WeakPolarHBondContact O-CA 3.49Å; C196-N206 WeakPolarHBondContact O-CB 3.39Å; Q197-N206 HydrophobicContact CB-CB 4.24Å; Q197-N206 HydrophobicContact CG-CB 4.47Å
207G94.4Very high85.7Confident7 Ų751 Ų517%0.07231%0.306CS..EExtended strand (participates in β ladder)trans-135.3147.6172.200000108I136 T195 C196I136-G207 WeakPolarHBondContact CD1-O 3.13Å; T195-G207 CarbonylContact C-O 3.55Å; T195-G207 VanDerWaalsContact CA-O 3.24Å; T195-G207 WeakPolarHBondContact CA-O 3.21Å; T195-G207 WeakPolarHBondContact CG2-O 3.49Å; C196-G207 PolarHBondContact N-O 2.95Å; C196-G207 PolarHBondContact O-N 2.84Å
208T94.6Very high83.9Confident81 Ų8149.7 Ų49.750%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-133.8136.9-176.6-55.10000110C193 Y194 T195C193-T208 HydrophobicContact CB-CG2 4Å; Y194-T208 CarbonylContact O-C 3.48Å; Y194-T208 VanDerWaalsContact O-CA 3.24Å; Y194-T208 WeakPolarHBondContact O-CA 3.32Å; T195-T208 WeakPolarHBondContact OG1-CG2 3.46Å; T195-T208 PolarHBondContact OG1-OG1 2.81Å
209V91.1Very high81.5Confident21 Ų2158.8 Ų58.813%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-126.2140.4170.166.40000108.8I136 I138 L152 C193 Y194 L217I136-V209 HydrophobicContact CB-CG1 4.3Å; I136-V209 HydrophobicContact CD1-CG1 4.17Å; I136-V209 HydrophobicContact CG2-CB 4.43Å; I136-V209 HydrophobicContact CG2-CG1 3.74Å; I138-V209 HydrophobicContact CD1-CG2 4.22Å; L152-V209 HydrophobicContact CD1-CG1 4.26Å; C193-V209 CarbonylContact C-O 3.48Å; C193-V209 WeakPolarHBondContact CA-O 3.3Å; Y194-V209 PolarHBondContact N-O 3Å; Y194-V209 PolarHBondContact O-N 2.86Å; V209-L217 HydrophobicContact CG2-CD1 3.85Å
210C88.3Confident79.2Confident47 Ų4766.2 Ų66.232%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-118.8138.4178.5-55.80000109.9R192 C193 G218R192-C210 CarbonylContact O-C 3.58Å; R192-C210 VanDerWaalsContact O-CA 3.32Å; R192-C210 WeakPolarHBondContact O-CA 3.27Å; C193-C210 HydrophobicContact CB-CB 4.13Å; C193-C210 WeakPolarHBondContact CB-SG 3.14Å; C193-C210 WeakPolarHBondContact SG-CB 2.99Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 3.37Å; C210-G218 PolarHBondContact O-N 3.26Å
211L82.7Confident76.7Confident3 Ų368.3 Ų68.32%0.01639%0.386CS..EExtended strand (participates in β ladder)trans-115.4135.3179.4-64.1171.3000108.5I138 I141 L150 S191 R192 Y194 L217I138-L211 HydrophobicContact CD1-CD2 3.97Å; I141-L211 HydrophobicContact CD1-CD2 4.11Å; L150-L211 HydrophobicContact CD1-CD1 3.3Å; L150-L211 HydrophobicContact CD2-CD1 3.49Å; L150-L211 VanDerWaalsContact CD2-CD1 3.49Å; L150-L211 HydrophobicContact CG-CD1 4.03Å; S191-L211 CarbonylContact C-O 3.49Å; S191-L211 WeakPolarHBondContact CA-O 3.11Å; S191-L211 WeakPolarHBondContact CB-O 3.38Å; R192-L211 PolarHBondContact N-O 2.98Å; R192-L211 PolarHBondContact O-N 2.78Å; Y194-L211 HydrophobicContact CD2-CD1 4.26Å; Y194-L211 HydrophobicContact CE2-CD1 3.95Å; L211-L217 HydrophobicContact CD2-CD1 4.31Å
212S76.6Confident74Confident32 Ų3268.5 Ų68.522%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-106.8148.7177.2-640000110S191 C215 T216S191-S212 WeakPolarHBondContact OG-CB 3.11Å; S191-S212 PolarHBondContact OG-OG 3.07Å; S212-C215 PolarHBondContact O-N 3.32Å; S212-T216 PolarHBondContact N-O 3.2Å; S212-T216 PolarHBondContact O-N 3.18Å
213P68.9Low71.4Confident61 Ų6175.1 Ų75.140%0.39641%0.406SS..THydrogen-bonded Turntrans-57.6144.1169.4-20.732.2000110.7
214P64.3Low68.7Low97 Ų9780.1 Ų80.163%0.6343%0.427SS*.THydrogen-bonded Turncis-91.585.2-7.234.6-28.3000110.4T216P214-T216 PolarHBondContact O-N 2.85Å
215C64.9Low66.2Low26 Ų2685.1 Ų85.118%0.17645%0.448CS..THydrogen-bonded Turntrans62.335180-60.30000115.7I141 C148 S212I141-C215 HydrophobicContact CG2-CB 3.63Å; C148-C215 HydrophobicContact CB-CB 4.31Å; C148-C215 WeakPolarHBondContact CB-SG 3.06Å; C148-C215 WeakPolarHBondContact SG-CB 3.42Å; C148-C215 CovalentContact SG-SG 2.01Å; C148-C215 PolarHBondContact SG-SG 3.16Å; S212-C215 PolarHBondContact O-N 3.32Å
216T66.8Low63.5Low74 Ų7490.2 Ų90.245%0.45447%0.465SS..EExtended strand (participates in β ladder)trans-101.9149.7175.759.60000110.9S212 P214 G218S212-T216 PolarHBondContact N-O 3.2Å; S212-T216 PolarHBondContact O-N 3.18Å; P214-T216 PolarHBondContact O-N 2.85Å; T216-G218 PolarHBondContact O-N 2.92Å
217L62.7Low60.6Low103 Ų10389.9 Ų89.954%0.53948%0.48SS..EExtended strand (participates in β ladder)trans-60.1123.1172.2-162.684.7000108.4I138 V209 L211 K219I138-L217 HydrophobicContact CD1-CD1 3.26Å; I138-L217 HydrophobicContact CG1-CD1 4.5Å; V209-L217 HydrophobicContact CG2-CD1 3.85Å; L211-L217 HydrophobicContact CD2-CD1 4.31Å; L217-K219 PolarHBondContact O-N 2.77Å
218G58.6Low58.1Low21 Ų2193.7 Ų93.722%0.21651%0.511CS..  trans-58.7112.5174.100000108.4C210 T216 K220C210-G218 PolarHBondContact O-N 3.26Å; T216-G218 PolarHBondContact O-N 2.92Å; G218-K220 PolarHBondContact O-N 2.89Å; G218-K220 VanDerWaalsContact O-N 3.1Å
219K46.8Very low55.7Low191 Ų19199.6 Ų99.683%0.8353%0.533SS*.  trans-62.3117.1175.5-69.6-172.8-180179.60106.8L217 D221L217-K219 PolarHBondContact O-N 2.77Å; K219-D221 PolarHBondContact O-N 2.88Å
220K44.6Very low53.1Low179 Ų179101 Ų10178%0.77855%0.553SS**  trans-64.2115.8156.4-76.2-167.5175.7-169.20105.7G218G218-K220 PolarHBondContact O-N 2.89Å; G218-K220 VanDerWaalsContact O-N 3.1Å
221D40.8Very low50.3Low85 Ų85107.3 Ų107.346%0.45558%0.583SS.*  trans-61.5134.9178.6-72.7-34.4000110K219 W223 E224K219-D221 PolarHBondContact O-N 2.88Å; D221-W223 HydrophobicContact CB-CG 4.1Å; D221-W223 PolarHBondContact O-N 3.13Å; D221-W223 PolarHBondContact OD2-NE1 2.83Å; D221-E224 PolarHBondContact O-N 3.45Å
222P35.1Very low48.1Very low99 Ų99118.1 Ų118.164%0.64362%0.624SS**THydrogen-bonded Turntrans-61-4.6177.5-25.434.4000115.6
223W37.7Very low45.9Very low175 Ų175122.1 Ų122.166%0.66365%0.651SS**THydrogen-bonded Turntrans-84.1-18178.570.5-98.7000113.6D221 L225 R226D221-W223 HydrophobicContact CB-CG 4.1Å; D221-W223 PolarHBondContact O-N 3.13Å; D221-W223 PolarHBondContact OD2-NE1 2.83Å; W223-L225 PolarHBondContact O-N 3.43Å; W223-R226 PolarHBondContact O-N 2.78Å
224E38.1Very low44.3Very low131 Ų131125.4 Ų125.461%0.61267%0.674SS**THydrogen-bonded Turntrans-71.6-8.8176.2-76.2-169.5155.600113.8D221D221-E224 PolarHBondContact O-N 3.45Å
225L42.2Very low42.8Very low161 Ų161130.7 Ų130.784%0.84369%0.688SS**THydrogen-bonded Turntrans-97.14.2175.8-67.2174.6000114W223W223-L225 PolarHBondContact O-N 3.43Å
226R38.7Very low41.3Very low218 Ų218137.1 Ų137.182%0.82372%0.715SS**SBendtrans-128.69.4-179.9-88.7-169.6-76.5-112-0.1116.2W223 A228W223-R226 PolarHBondContact O-N 2.78Å; R226-A228 PolarHBondContact O-N 2.93Å
227G34.6Very low39.7Very low75 Ų75142.6 Ų142.677%0.77374%0.736SS**  trans-98.563.5-175.800000115.3
228A42.5Very low38.6Very low88 Ų88148.1 Ų148.173%0.72775%0.75SS**SBendtrans-143.161.2164.100000111.4R226R226-A228 PolarHBondContact O-N 2.93Å
229Q43.3Very low37.5Very low204 Ų204157.3 Ų157.395%0.95378%0.784SS**SBendtrans168.2114.3142.5-96.5157.4-31.100109.2
230G36.4Very low37.1Very low52 Ų52153.2 Ų153.254%0.53679%0.785SS.*  trans150.2115.5173.100000110.7W232G230-W232 PolarHBondContact O-NE1 3.5Å
231N30.7Very low37.4Very low178 Ų178148.9 Ų148.995%0.95279%0.791SS**  trans-76.2120.6172.7-120.54.1000108.1
232W36.7Very low37.4Very low231 Ų231148 Ų14888%0.87580%0.803SS**  trans-115.9118.5176.5-55.992.6000109.3G230G230-W232 PolarHBondContact O-NE1 3.5Å
233S29.4Very low37.5Very low115 Ų115149.9 Ų149.980%0.80481%0.814SS**  trans-104.1110.1167.347.70000108.4
234C35.9Very low37.8Very low130 Ų130149.6 Ų149.688%0.87882%0.824SS**PPolyproline II helixtrans-93.3120.1167.3-81.50000109.3
235F32.2Very low37.7Very low208 Ų208151.9 Ų151.991%0.91284%0.835SS**PPolyproline II helixtrans-78.9129.9166-113.9-90.8000109.3
236E33.8Very low38.1Very low161 Ų161149.5 Ų149.575%0.75283%0.829SS**PPolyproline II helixtrans-73.5122.1179-156170-177.900109.8
237Q33.6Very low38Very low189 Ų189144.6 Ų144.688%0.88383%0.825SS**  trans-122.3106.8162.1-76.6-164.8-6.100109.9
238R39.7Very low38Very low220 Ų220147 Ų14783%0.8383%0.829SS**  trans-70.7128.2161.3-69.1-177.7-168.2171.94108.9
239K35.8Very low37.8Very low214 Ų214148.2 Ų148.293%0.9383%0.828SS**  trans-140.6136.4143.3-90-154.2178.6-176.90111.2
240A37Very low37.2Very low105 Ų105144 Ų14487%0.86882%0.816SS**  trans-79.7137.9174.700000110.7
241G51.3Low36.9Very low87 Ų87152.4 Ų152.490%0.89783%0.832SS**SBendtrans76.795.5161.700000116.9
242G40.7Very low37.2Very low68 Ų68159 Ų15970%0.70184%0.843SS**  trans159.3152.6168.300000113.1
243P36.6Very low37.2Very low137 Ų137155.4 Ų155.489%0.8984%0.841SS**  trans-74.4154.5-161.831-34.2000114.3
244I44.6Very low37.6Very low169 Ų169157.5 Ų157.587%0.86784%0.843SS**  trans-69.8128-177.9-60.5163.3000110.8
245Q36.4Very low37.7Very low179 Ų179159 Ų15984%0.83684%0.841SS**  trans-168.2159143.1-105.7-177.8-12.100111.9
246P49.5Very low38Very low112 Ų112156.1 Ų156.173%0.72784%0.837SS**  trans-90.3161.8-145.637.3-37.7000114
247P36.8Very low38.3Very low114 Ų114155.8 Ų155.874%0.7484%0.843SS**  trans-140.497.2147.635.8-17.6000111.4
248C35.3Very low38.6Very low127 Ų127153.6 Ų153.686%0.85884%0.84SS**  trans-125.678.7150.5-71.20000106.9
249T38.1Very low38.5Very low113 Ų113148.9 Ų148.969%0.69384%0.841SS**PPolyproline II helixtrans-76.4121.7166.4-35.40000107.2
250V30.9Very low38.7Very low116 Ų116143.8 Ų143.870%0.70383%0.834SS**PPolyproline II helixtrans-78.5126.6173.8-179.30000107.9
251W29.6Very low38.9Very low228 Ų228147.1 Ų147.186%0.86483%0.831SS**PPolyproline II helixtrans-99.6134.6158.3-66.692.6000107.6
252W36.8Very low37.8Very low315 Ų315152.5 Ų152.5100%1.19383%0.825SS**  trans-62.80-178.4-5191.1000112.5

Retrieved 252 of 252 residues in 176 ms (Link to these results)