A0A061I4V4_CRIGR Loading...

Interleukin-27 subunit beta

Associates with IL27 to form the IL-27 interleukin, a heterodimeric cytokine which functions in innate immunity. IL-27 has pro- and anti-inflammatory properties, that can regulate T-helper cell development, suppress T-cell proliferation, stimulate cytotoxic T-cell activity, induce isotype switching in B-cells, and that has diverse effects on innate immune cells. Among its target cells are CD4 T-helper cells which can differentiate in type 1 effector cells (TH1), type 2 effector cells (TH2) and IL17 producing helper T-cells (TH17). It drives rapid clonal expansion of naive but not memory CD4 T-cells. It also strongly synergizes with IL-12 to trigger interferon-gamma/IFN-gamma production of naive CD4 T-cells, binds to the cytokine receptor WSX-1/TCCR. Another important role of IL-27 is its antitumor activity as well as its antiangiogenic activity with activation of production of antiangiogenic chemokines.

AlphaFold DB , UniProt , Accession A0A061I4V4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ebi3, Length 228 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
1M43.3Very low39.2Very low246 Ų246163.2 Ų163.2100%1.21286%0.864SS**  0154.60-79.8170.4164.900108.6
2C35.7Very low38.9Very low126 Ų126168.6 Ų168.685%0.85186%0.864SS**  trans80.876.1-167.4-71.90000114.2
3Q35.9Very low38.5Very low177 Ų177163 Ų16383%0.82786%0.859SS**  81.3100.671.9-162.5163.71.900112.2L5Q3-L5 PolarHBondContact O-N 3.14Å
4R42.3Very low38.1Very low244 Ų244158.8 Ų158.892%0.92185%0.849SS**  trans-70118.4172.5-70.2-179.4170.4-157.9-2.8109.1
5L39.4Very low37.6Very low150 Ų150156.7 Ų156.779%0.78585%0.85SS**  trans-92.3111.7163.1-94.4109.3000108.9Q3Q3-L5 PolarHBondContact O-N 3.14Å
6L39.7Very low37.6Very low170 Ų170153.4 Ų153.489%0.8984%0.843SS**  trans-83.3108.8166-77.6156000107.8
7L38.8Very low37.5Very low151 Ų151151.9 Ų151.979%0.79184%0.842SS**  trans-87.7105.7169.2-87.4143000108.7L9L7-L9 PolarHBondContact O-N 3.48Å
8S38.8Very low37.5Very low117 Ų117146.8 Ų146.882%0.81883%0.83SS**  trans-73.5107.716949.80000109.9A10S8-A10 PolarHBondContact O-N 3.41Å
9L39.8Very low38Very low162 Ų162145.7 Ų145.785%0.84882%0.821SS**  trans-77.8110.8168.3-85.2109.2000109.8L7 L11L7-L9 PolarHBondContact O-N 3.48Å; L9-L11 PolarHBondContact O-N 2.81Å
10A41.2Very low38Very low81 Ų81143.9 Ų143.967%0.66981%0.814SS**  trans-74.8110.3165.300000109S8 W12S8-A10 PolarHBondContact O-N 3.41Å; A10-W12 PolarHBondContact O-N 3.32Å
11L36.3Very low38Very low171 Ų171139 Ų13990%0.89580%0.796SS**  trans-71104170.7-82.8133.9000109.3L9 A13L9-L11 PolarHBondContact O-N 2.81Å; L11-A13 PolarHBondContact O-N 2.82Å
12W35.2Very low37.9Very low228 Ų228131.8 Ų131.886%0.86477%0.766SS**  trans-77.7105.4164.7-77.347.7000107.9A10 S14A10-W12 PolarHBondContact O-N 3.32Å; W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.49Å
13A34.6Very low38Very low96 Ų96129 Ų12979%0.79375%0.751SS**  trans-71.789.2167.300000108.6L11 C15L11-A13 PolarHBondContact O-N 2.82Å; A13-C15 PolarHBondContact O-N 2.87Å; A13-C15 VanDerWaalsContact O-N 3.07Å
14S31.9Very low38Very low104 Ų104126.5 Ų126.573%0.72774%0.743SS**  trans-69.998.9168-54.80000108.6W12 S16W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.49Å; S14-S16 PolarHBondContact O-N 2.95Å
15C30.7Very low38Very low127 Ų127117.2 Ų117.286%0.85872%0.719SS**  trans-61.5101165.7-80.30000109.2A13A13-C15 PolarHBondContact O-N 2.87Å; A13-C15 VanDerWaalsContact O-N 3.07Å
16S38.4Very low38.2Very low105 Ų105113.3 Ų113.373%0.73471%0.708SS**PPolyproline II helixtrans-66.5130.9161.1-59.10000108.7S14 G18S14-S16 PolarHBondContact O-N 2.95Å; S16-G18 PolarHBondContact O-N 3.15Å; S16-G18 VanDerWaalsContact O-N 3.11Å
17P36.5Very low38.6Very low128 Ų128111.4 Ų111.483%0.83170%0.698SS**PPolyproline II helixtrans-66116.3174.922.3-24.9000108.7N19P17-N19 PolarHBondContact O-N 2.99Å
18G37.1Very low39.4Very low60 Ų60107 Ų10762%0.61968%0.679SS**PPolyproline II helixtrans-57.1131.3177.200000110.9S16 T20S16-G18 PolarHBondContact O-N 3.15Å; S16-G18 VanDerWaalsContact O-N 3.11Å; G18-T20 VanDerWaalsContact C-N 3.31Å; G18-T20 PolarHBondContact O-N 2.93Å
19N46Very low40.7Very low125 Ų125105.8 Ų105.867%0.66866%0.661SS**  trans-64.185176.7-167.911.3000110.5P17 G21 T22P17-N19 PolarHBondContact O-N 2.99Å; N19-G21 PolarHBondContact O-N 2.87Å; N19-T22 PolarHBondContact ND2-OG1 2.96Å; N19-T22 PolarHBondContact O-OG1 2.84Å
20T38.8Very low42.2Very low109 Ų10998.4 Ų98.467%0.66962%0.623SS**THydrogen-bonded Turntrans-69.1-11.9176.146.50000112.8G18G18-T20 VanDerWaalsContact C-N 3.31Å; G18-T20 PolarHBondContact O-N 2.93Å
21G37.6Very low44.4Very low43 Ų43103.2 Ų103.244%0.44362%0.623SS.*Hα-helixtrans-70.8-33.8-179.600000114.6N19 A25N19-G21 PolarHBondContact O-N 2.87Å; G21-A25 PolarHBondContact O-N 2.89Å
22T42.4Very low47.1Very low94 Ų9496.1 Ų96.158%0.57759%0.587SS**Hα-helixtrans-74-31.6-176.912.90000113.8N19N19-T22 PolarHBondContact ND2-OG1 2.96Å; N19-T22 PolarHBondContact O-OG1 2.84Å
23A35.9Very low50Low66 Ų6694.1 Ų94.155%0.54558%0.58SS.*Hα-helixtrans-78.5-35.2-179.200000112.7
24L37.1Very low52.9Low125 Ų12590.7 Ų90.765%0.65455%0.55SS*.Hα-helixtrans-71.2-31.3175.9-84.5154.7000112.5A26 L27L24-A26 PolarHBondContact O-N 2.74Å; L24-L27 PolarHBondContact O-N 3.17Å
25A42.7Very low56.1Low50 Ų5088.8 Ų88.841%0.41353%0.526SS..Hα-helixtrans-67.2-32.3176.300000113.3G21 L27 S28G21-A25 PolarHBondContact O-N 2.89Å; A25-L27 VanDerWaalsContact C-N 3.29Å; A25-L27 PolarHBondContact O-N 3.2Å; A25-S28 PolarHBondContact O-OG 2.73Å; A25-S28 VanDerWaalsContact O-OG 3.14Å
26A43.7Very low59.2Low67 Ų6782.8 Ų82.855%0.55449%0.486SS*.Hα-helixtrans-72.4-21.717800000113.3L24L24-A26 PolarHBondContact O-N 2.74Å
27L46.2Very low62Low130 Ų13078.4 Ų78.468%0.68146%0.455SS*.THydrogen-bonded Turntrans-88.5-3-178.8-76.5165.9000114L24 A25 L50L24-L27 PolarHBondContact O-N 3.17Å; A25-L27 VanDerWaalsContact C-N 3.29Å; A25-L27 PolarHBondContact O-N 3.2Å; L27-L50 WeakPolarHBondContact O-CD1 3.46Å
28S57.2Low64.9Low58 Ų5875.8 Ų75.841%0.40643%0.429SS..SBendtrans-114.82.9-178.557.90000114.1A25 S114A25-S28 PolarHBondContact O-OG 2.73Å; A25-S28 VanDerWaalsContact O-OG 3.14Å; S28-S114 PolarHBondContact O-OG 3.24Å; S28-S114 VanDerWaalsContact O-OG 3.08Å
29Q66.4Low67.6Low93 Ų9373.1 Ų73.144%0.43540%0.4SS..SBendtrans-88.9120.8-178.6-80.2-176.2-20.900112.5R31 L50 S115 S116Q29-R31 PolarHBondContact O-N 3.21Å; Q29-L50 VanDerWaalsContact C-CD1 3.48Å; Q29-L50 WeakPolarHBondContact O-CD1 3.38Å; Q29-S115 PolarHBondContact NE2-O 2.96Å; Q29-S115 VanDerWaalsContact NE2-O 3.16Å; Q29-S116 WeakPolarHBondContact CB-OG 3.31Å
30P71.3Confident69.9Low6 Ų668 Ų684%0.03937%0.374CS..  trans-54.6134-179.920.1-30.5000111.4V32 W47 V105 S116P30-V32 PolarHBondContact O-N 2.82Å; P30-V32 VanDerWaalsContact O-N 3.12Å; P30-W47 HydrophobicContact CB-CB 4.13Å; P30-W47 HydrophobicContact CB-CG 4.36Å; P30-V105 HydrophobicContact CG-CG1 4.38Å; P30-S116 WeakPolarHBondContact CD-OG 3.32Å; P30-S116 WeakPolarHBondContact CG-OG 3.36Å; P30-S116 VanDerWaalsContact N-OG 3.17Å; P30-S116 WeakPolarHBondContact O-CB 3.5Å; P30-S116 PolarHBondContact O-OG 2.82Å
31R85.6Confident72.7Confident182 Ų18265.7 Ų65.769%0.68736%0.359SS*.EExtended strand (participates in β ladder)trans-7996.7177.5-70.5-175177-172.2-1109.3Q29 W47 T48Q29-R31 PolarHBondContact O-N 3.21Å; R31-W47 WeakPolarHBondContact O-CA 3.07Å; R31-T48 PolarHBondContact O-N 2.76Å
32V93.6Very high75.5Confident22 Ų2263.7 Ų63.713%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-83.9139-177.8-169.40000111P30 W47 L103 V105 L118P30-V32 PolarHBondContact O-N 2.82Å; P30-V32 VanDerWaalsContact O-N 3.12Å; V32-W47 HydrophobicContact CG2-CB 4.14Å; V32-L103 HydrophobicContact CG1-CD2 3.71Å; V32-V105 HydrophobicContact CG1-CG2 4.21Å; V32-V105 HydrophobicContact CG2-CB 4.09Å; V32-V105 HydrophobicContact CG2-CG2 3.89Å; V32-L118 HydrophobicContact CB-CB 4.4Å; V32-L118 HydrophobicContact CB-CD2 4.19Å; V32-L118 HydrophobicContact CG1-CB 4.39Å; V32-L118 HydrophobicContact CG1-CD2 3.86Å
33R95.6Very high78.1Confident187 Ų18759.2 Ų59.271%0.70631%0.311SS*.EExtended strand (participates in β ladder)trans-136.4136.3173.8-65.6-178.6176.7176.4-1.3109.3C45 S46R33-C45 CarbonylContact O-C 3.58Å; R33-C45 VanDerWaalsContact O-CA 3.28Å; R33-C45 WeakPolarHBondContact O-CA 3.48Å; R33-S46 PolarHBondContact N-O 2.76Å; R33-S46 PolarHBondContact O-N 2.83Å
34C97.3Very high81.1Confident24 Ų2458.2 Ų58.216%0.16230%0.296CS..EExtended strand (participates in β ladder)trans-122.6149.6176.3-64.30000110.9V43 D44 C45 L118 F120 I125C34-V43 HydrophobicContact CB-CG1 3.82Å; C34-D44 CarbonylContact C-O 3.47Å; C34-D44 WeakPolarHBondContact CA-O 3.5Å; C34-C45 HydrophobicContact CB-CB 4.15Å; C34-C45 WeakPolarHBondContact CB-SG 3.47Å; C34-C45 WeakPolarHBondContact SG-CB 3.33Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 2.94Å; C34-L118 HydrophobicContact CB-CD2 4.28Å; C34-F120 HydrophobicContact CB-CD1 4.26Å; C34-F120 HydrophobicContact CB-CE1 4.21Å; C34-I125 HydrophobicContact CB-CD1 3.89Å
35R97.3Very high83.9Confident64 Ų6452.4 Ų52.424%0.24227%0.266CS..EExtended strand (participates in β ladder)trans-145.5135.8-180-168.3-177.2-168.9-161.80.6110.1D44 K127 P128 D129R35-D44 PolarHBondContact N-O 2.89Å; R35-D44 PolarHBondContact O-N 2.87Å; R35-K127 HydrophobicContact CG-CB 4.04Å; R35-K127 PolarHBondContact NE-O 2.88Å; R35-K127 PolarHBondContact NH2-O 3.45Å; R35-K127 VanDerWaalsContact NH2-O 3.12Å; R35-P128 PolarHBondContact NH2-O 2.88Å; R35-D129 IonicContact CZ-OD1 3.45Å; R35-D129 IonicContact NH1-OD1 3.21Å; R35-D129 PolarHBondContact NH1-OD1 2.85Å; R35-D129 IonicContact NH2-OD1 2.84Å
36A97.6Very high86.5Confident0 Ų052.8 Ų52.80%027%0.266CS..EExtended strand (participates in β ladder)trans-100.479.5169.900000109.2V43 I125 I126 K127A36-V43 HydrophobicContact CB-CG2 4.15Å; A36-I125 HydrophobicContact CB-CG1 4.26Å; A36-I125 PolarHBondContact N-O 3.43Å; A36-I126 HydrophobicContact CB-CG1 4.24Å; A36-K127 PolarHBondContact O-N 3.18Å; A36-K127 VanDerWaalsContact O-N 3.11Å
37S97.3Very high88.9Confident14 Ų1450 Ų5010%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-83.3-21.9174.348.80000112.8W153S37-W153 VanDerWaalsContact O-CE3 3.29Å
38R95.9Very high90.8Very high73 Ų7348.6 Ų48.628%0.27524%0.238SC..EExtended strand (participates in β ladder)trans-115.536.8179.660.4-171.4-116.3-124.85.8112.6V41 A42 D44 T89 S152R38-V41 WeakPolarHBondContact O-CB 3.3Å; R38-V41 PolarHBondContact O-N 3.41Å; R38-A42 HydrophobicContact CG-CB 4.25Å; R38-A42 PolarHBondContact O-N 2.85Å; R38-D44 WeakPolarHBondContact CD-OD2 3.45Å; R38-D44 IonicContact NH1-OD1 2.8Å; R38-D44 PolarHBondContact NH1-OD1 3.3Å; R38-D44 IonicContact NH1-OD2 3.22Å; R38-D44 PolarHBondContact NH1-OD2 3.07Å; R38-T89 PolarHBondContact NH1-OG1 3.16Å; R38-S152 VanDerWaalsContact CA-O 3.26Å; R38-S152 WeakPolarHBondContact CA-O 3.29Å; R38-S152 WeakPolarHBondContact CB-O 3.26Å
39Y95.3Very high91.5Very high4 Ų448.2 Ų48.22%0.01623%0.234CC..THydrogen-bonded Turntrans-60.5139.8178.5-177.6-94000110.4V93 L95 A122 E123 I126 W153 F159Y39-V93 HydrophobicContact CD2-CG1 4.33Å; Y39-V93 HydrophobicContact CE2-CG1 4Å; Y39-L95 HydrophobicContact CE1-CD2 4.06Å; Y39-L95 HydrophobicContact CE2-CD2 4.28Å; Y39-L95 WeakPolarHBondContact OH-CD2 3.19Å; Y39-A122 HydrophobicContact CE2-CB 4.49Å; Y39-E123 HydrophobicContact CE2-CG 4.49Å; Y39-I126 HydrophobicContact CD1-CD1 3.73Å; Y39-I126 HydrophobicContact CD1-CG1 4.38Å; Y39-I126 HydrophobicContact CD2-CD1 3.81Å; Y39-I126 HydrophobicContact CD2-CG1 3.87Å; Y39-I126 HydrophobicContact CE1-CD1 3.86Å; Y39-I126 HydrophobicContact CE2-CD1 3.95Å; Y39-I126 HydrophobicContact CE2-CG1 4.39Å; Y39-I126 HydrophobicContact CG-CD1 3.7Å; Y39-I126 HydrophobicContact CG-CG1 3.86Å; Y39-W153 HydrophobicContact CD1-CH2 4.33Å; Y39-F159 HydrophobicContact CD1-CD1 4.05Å; Y39-F159 HydrophobicContact CD1-CE1 4.38Å; Y39-F159 AromaticContact CE1-CD1 3.65Å; Y39-F159 HydrophobicContact CE1-CD1 3.65Å; Y39-F159 AromaticContact CE1-CE1 3.66Å; Y39-F159 HydrophobicContact CE1-CE1 3.66Å
40P94.4Very high91.6Very high18 Ų1847.2 Ų47.212%0.11723%0.231CC..THydrogen-bonded Turncis-9515.50.840.6-39.8000114.5V93 L95 F159P40-V93 VanDerWaalsContact O-CB 3.26Å; P40-V93 WeakPolarHBondContact O-CB 3.1Å; P40-V93 WeakPolarHBondContact O-CG2 3.39Å; P40-L95 HydrophobicContact CB-CD2 3.23Å; P40-L95 HydrophobicContact CB-CG 4.2Å; P40-L95 HydrophobicContact CG-CD2 3.95Å; P40-F159 HydrophobicContact CB-CZ 4.26Å; P40-F159 HydrophobicContact CG-CD2 4.16Å; P40-F159 HydrophobicContact CG-CE1 4.34Å; P40-F159 HydrophobicContact CG-CE2 3.54Å; P40-F159 HydrophobicContact CG-CZ 3.64Å
41V95.8Very high91.2Very high60 Ų6058.3 Ų58.336%0.36427%0.272SS..THydrogen-bonded Turntrans-71.9-39.6-171.5176.40000111.8R38 D92 P154 F155R38-V41 WeakPolarHBondContact O-CB 3.3Å; R38-V41 PolarHBondContact O-N 3.41Å; V41-D92 PolarHBondContact O-N 3.47Å; V41-P154 HydrophobicContact CG2-CB 4.18Å; V41-P154 HydrophobicContact CG2-CG 3.65Å; V41-F155 HydrophobicContact CG2-CE2 3.66Å; V41-F155 HydrophobicContact CG2-CZ 4.27Å
42A96.8Very high89.7Confident0 Ų052.6 Ų52.60%026%0.264CS..EExtended strand (participates in β ladder)trans-163.2168.8177.600000114.2R38 T89 V90R38-A42 HydrophobicContact CG-CB 4.25Å; R38-A42 PolarHBondContact O-N 2.85Å; A42-T89 HydrophobicContact CB-CG2 3.59Å; A42-V90 VanDerWaalsContact CA-O 3.3Å; A42-V90 WeakPolarHBondContact CA-O 3.47Å; A42-V90 VanDerWaalsContact CB-O 3.3Å; A42-V90 WeakPolarHBondContact CB-O 3.29Å
43V97.7Very high87.3Confident0 Ų057.1 Ų57.10%029%0.294CS..EExtended strand (participates in β ladder)trans-111.1130.3165.91770000109.3C34 A36 T89 V90 V93 F120 A122 I125C34-V43 HydrophobicContact CB-CG1 3.82Å; A36-V43 HydrophobicContact CB-CG2 4.15Å; V43-T89 WeakPolarHBondContact O-CA 3.27Å; V43-V90 HydrophobicContact CB-CB 4.29Å; V43-V90 PolarHBondContact N-O 3.27Å; V43-V90 PolarHBondContact O-N 3.35Å; V43-V93 HydrophobicContact CG2-CG2 3.98Å; V43-F120 HydrophobicContact CB-CE2 4.29Å; V43-F120 HydrophobicContact CB-CZ 4.42Å; V43-F120 HydrophobicContact CG1-CE2 3.9Å; V43-F120 HydrophobicContact CG1-CZ 3.91Å; V43-F120 HydrophobicContact CG2-CE2 4.02Å; V43-A122 HydrophobicContact CG2-CB 4.29Å; V43-I125 HydrophobicContact CG1-CD1 3.51Å; V43-I125 HydrophobicContact CG2-CD1 4.18Å
44D97.5Very high85.1Confident46 Ų4656 Ų5625%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-102.7126.2176.2-66.9-52.5000110.2C34 R35 R38 T89C34-D44 CarbonylContact C-O 3.47Å; C34-D44 WeakPolarHBondContact CA-O 3.5Å; R35-D44 PolarHBondContact N-O 2.89Å; R35-D44 PolarHBondContact O-N 2.87Å; R38-D44 WeakPolarHBondContact CD-OD2 3.45Å; R38-D44 IonicContact NH1-OD1 2.8Å; R38-D44 PolarHBondContact NH1-OD1 3.3Å; R38-D44 IonicContact NH1-OD2 3.22Å; R38-D44 PolarHBondContact NH1-OD2 3.07Å; D44-T89 PolarHBondContact OD1-OG1 3.11Å
45C97.6Very high83Confident2 Ų258 Ų581%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-118.6141.6-177.6-62.40000110.2R33 C34 Q87 C88 L103R33-C45 CarbonylContact O-C 3.58Å; R33-C45 VanDerWaalsContact O-CA 3.28Å; R33-C45 WeakPolarHBondContact O-CA 3.48Å; C34-C45 HydrophobicContact CB-CB 4.15Å; C34-C45 WeakPolarHBondContact CB-SG 3.47Å; C34-C45 WeakPolarHBondContact SG-CB 3.33Å; C34-C45 CovalentContact SG-SG 2.04Å; C34-C45 PolarHBondContact SG-SG 2.94Å; C45-Q87 CarbonylContact O-C 3.51Å; C45-Q87 WeakPolarHBondContact O-CA 3.44Å; C45-Q87 WeakPolarHBondContact O-CB 3.49Å; C45-C88 PolarHBondContact N-O 3.48Å; C45-C88 PolarHBondContact O-N 3.32Å; C45-L103 HydrophobicContact CB-CD2 3.72Å
46S96.1Very high80.8Confident59 Ų5962.3 Ų62.341%0.41335%0.349SS..EExtended strand (participates in β ladder)trans-140.815717757.40000110.8R33 T86R33-S46 PolarHBondContact N-O 2.76Å; R33-S46 PolarHBondContact O-N 2.83Å; S46-T86 CarbonylContact C-O 3.51Å; S46-T86 VanDerWaalsContact CA-O 3.26Å; S46-T86 WeakPolarHBondContact CA-O 3.19Å
47W93.6Very high78.9Confident9 Ų970.4 Ų70.43%0.03438%0.38CS..EExtended strand (participates in β ladder)trans-142.2150.1178.352.191.3000111.8P30 R31 V32 F61 A63 L80 A85 T86 C88 V105P30-W47 HydrophobicContact CB-CB 4.13Å; P30-W47 HydrophobicContact CB-CG 4.36Å; R31-W47 WeakPolarHBondContact O-CA 3.07Å; V32-W47 HydrophobicContact CG2-CB 4.14Å; W47-F61 AromaticContact CD1-CE1 3.79Å; W47-F61 AromaticContact CE2-CD1 3.98Å; W47-F61 HydrophobicContact CZ2-CB 3.89Å; W47-F61 HydrophobicContact CZ2-CD1 4.28Å; W47-F61 HydrophobicContact CZ2-CD2 4.43Å; W47-F61 AromaticContact CZ2-CG 3.94Å; W47-F61 HydrophobicContact CZ2-CG 3.94Å; W47-F61 AromaticContact NE1-CD1 3.21Å; W47-F61 AromaticContact NE1-CD2 3.9Å; W47-F61 AromaticContact NE1-CE1 3.25Å; W47-F61 VanDerWaalsContact NE1-CE1 3.25Å; W47-F61 AromaticContact NE1-CE2 3.94Å; W47-F61 AromaticContact NE1-CG 3.55Å; W47-F61 AromaticContact NE1-CZ 3.64Å; W47-A63 HydrophobicContact CH2-CB 4.21Å; W47-L80 HydrophobicContact CH2-CD1 4.17Å; W47-A85 WeakPolarHBondContact CZ2-O 3.43Å; W47-T86 PolarHBondContact N-O 2.86Å; W47-T86 WeakPolarHBondContact O-CB 3.35Å; W47-C88 HydrophobicContact CH2-CB 4Å; W47-C88 HydrophobicContact CZ3-CB 4.13Å; W47-V105 HydrophobicContact CD2-CG1 3.7Å; W47-V105 HydrophobicContact CD2-CG2 4.35Å; W47-V105 HydrophobicContact CE3-CG1 4.05Å; W47-V105 HydrophobicContact CE3-CG2 3.87Å; W47-V105 HydrophobicContact CG-CG1 4.14Å; W47-V105 HydrophobicContact CH2-CG1 4.3Å; W47-V105 HydrophobicContact CZ2-CG1 3.95Å; W47-V105 HydrophobicContact CZ3-CG1 4.34Å; W47-V105 HydrophobicContact CZ3-CG2 3.98Å
48T86.3Confident77.2Confident100 Ų10073.6 Ų73.661%0.61341%0.407SS*.EExtended strand (participates in β ladder)trans-94.9118.3169.5-49.20000108.7R31 L50R31-T48 PolarHBondContact O-N 2.76Å; T48-L50 PolarHBondContact O-N 2.97Å
49P73.8Confident76.4Confident49 Ų4972.6 Ų72.632%0.31841%0.406SS..  trans-65.2127.3173.124.4-29.6000109.3R51 M59 F61 T86P49-R51 PolarHBondContact O-N 2.85Å; P49-M59 HydrophobicContact CB-SD 3.99Å; P49-F61 HydrophobicContact CB-CZ 4.04Å; P49-T86 HydrophobicContact CG-CG2 4.16Å
50L68.4Low76.2Confident73 Ų7374.5 Ų74.538%0.38242%0.42SS..  trans-73.8109.5170-72.6154.3000106.6L27 Q29 T48 A52L27-L50 WeakPolarHBondContact O-CD1 3.46Å; Q29-L50 VanDerWaalsContact C-CD1 3.48Å; Q29-L50 WeakPolarHBondContact O-CD1 3.38Å; T48-L50 PolarHBondContact O-N 2.97Å; L50-A52 PolarHBondContact O-N 2.9Å; L50-A52 VanDerWaalsContact O-N 3.17Å
51R62.3Low76.1Confident239 Ų23974.3 Ų74.390%0.90242%0.417SS*.PPolyproline II helixtrans-59.4120.6177.4-76.8-177.9-179.5161.4-0.2108.5P49P49-R51 PolarHBondContact O-N 2.85Å
52A53.3Low76Confident61 Ų6176 Ų7650%0.50442%0.424SS..PPolyproline II helixtrans-64.3123.815500000107.1L50 N54 S55L50-A52 PolarHBondContact O-N 2.9Å; L50-A52 VanDerWaalsContact O-N 3.17Å; A52-N54 PolarHBondContact O-N 3.3Å; A52-N54 VanDerWaalsContact O-N 3.13Å; A52-S55 PolarHBondContact O-N 2.82Å
53P43.6Very low76Confident117 Ų11776.3 Ų76.376%0.7643%0.426SS*.THydrogen-bonded Turntrans-59.9121.4172.325.1-29.5000107
54N49.2Very low75.9Confident165 Ų16578.2 Ų78.288%0.88244%0.438SS*.THydrogen-bonded Turntrans91.312.2179.4-53.3-16.6000119.5A52 T56A52-N54 PolarHBondContact O-N 3.3Å; A52-N54 VanDerWaalsContact O-N 3.13Å; N54-T56 PolarHBondContact O-N 2.81Å
55S52.8Low75.8Confident65 Ų6576.9 Ų76.946%0.45543%0.43SS..  trans-90.896.1170.6-174.30000112.5A52 R57A52-S55 PolarHBondContact O-N 2.82Å; S55-R57 PolarHBondContact O-N 2.87Å; S55-R57 PolarHBondContact OG-N 2.83Å; S55-R57 PolarHBondContact OG-O 2.83Å
56T51.8Low75.7Confident154 Ų15478.5 Ų78.595%0.94544%0.435SS*.  trans-72.82.5158.433.30000112.8N54N54-T56 PolarHBondContact O-N 2.81Å
57R58.3Low75.5Confident170 Ų17077.6 Ų77.664%0.64243%0.426SS*.SBendtrans-91.6141.3-173-137.4160.1-177.8-167.710.4111.8S55 M59 P110S55-R57 PolarHBondContact O-N 2.87Å; S55-R57 PolarHBondContact OG-N 2.83Å; S55-R57 PolarHBondContact OG-O 2.83Å; R57-M59 PolarHBondContact O-N 2.94Å; R57-P110 HydrophobicContact CB-CG 4.36Å; R57-P110 VanDerWaalsContact CD-CG 3.46Å; R57-P110 HydrophobicContact CG-CG 3.77Å
58A60.8Low75.2Confident81 Ų8177.9 Ų77.967%0.66943%0.431SS*.PPolyproline II helixtrans-56.6125.3-179.900000111.1
59M79.1Confident75.1Confident52 Ų5279.1 Ų79.126%0.25643%0.432SS..PPolyproline II helixtrans-100.6131.7171.6177.4173-84.200107.9P49 R57 F61 A107 H109P49-M59 HydrophobicContact CB-SD 3.99Å; R57-M59 PolarHBondContact O-N 2.94Å; M59-F61 HydrophobicContact CG-CE1 4.15Å; M59-F61 HydrophobicContact CG-CE2 4.21Å; M59-F61 HydrophobicContact CG-CZ 3.77Å; M59-F61 HydrophobicContact SD-CE1 3.88Å; M59-F61 HydrophobicContact SD-CE2 4.48Å; M59-F61 HydrophobicContact SD-CZ 3.56Å; M59-F61 VanDerWaalsContact SD-CZ 3.56Å; M59-A107 HydrophobicContact CE-CB 4.39Å; M59-A107 HydrophobicContact SD-CB 4.26Å; M59-H109 HydrophobicContact CE-CB 4.48Å
60S90.2Very high75.3Confident44 Ų4479.1 Ų79.131%0.30844%0.436SS..EExtended strand (participates in β ladder)trans-115.9160171.1600000110.6P83 V108S60-P83 CarbonylContact C-O 3.55Å; S60-P83 VanDerWaalsContact CA-O 3.24Å; S60-P83 WeakPolarHBondContact CA-O 3.37Å; S60-V108 PolarHBondContact N-O 2.79Å; S60-V108 VanDerWaalsContact N-O 3.15Å; S60-V108 PolarHBondContact O-N 3.19Å
61F92.4Very high75.5Confident14 Ų1479.3 Ų79.36%0.06145%0.447CS..EExtended strand (participates in β ladder)trans-123.7143-178.9-59.6-79.7000110.3W47 P49 M59 L80 P83 A85 T86 V105 T106 A107W47-F61 AromaticContact CD1-CE1 3.79Å; W47-F61 AromaticContact CE2-CD1 3.98Å; W47-F61 HydrophobicContact CZ2-CB 3.89Å; W47-F61 HydrophobicContact CZ2-CD1 4.28Å; W47-F61 HydrophobicContact CZ2-CD2 4.43Å; W47-F61 AromaticContact CZ2-CG 3.94Å; W47-F61 HydrophobicContact CZ2-CG 3.94Å; W47-F61 AromaticContact NE1-CD1 3.21Å; W47-F61 AromaticContact NE1-CD2 3.9Å; W47-F61 AromaticContact NE1-CE1 3.25Å; W47-F61 VanDerWaalsContact NE1-CE1 3.25Å; W47-F61 AromaticContact NE1-CE2 3.94Å; W47-F61 AromaticContact NE1-CG 3.55Å; W47-F61 AromaticContact NE1-CZ 3.64Å; P49-F61 HydrophobicContact CB-CZ 4.04Å; M59-F61 HydrophobicContact CG-CE1 4.15Å; M59-F61 HydrophobicContact CG-CE2 4.21Å; M59-F61 HydrophobicContact CG-CZ 3.77Å; M59-F61 HydrophobicContact SD-CE1 3.88Å; M59-F61 HydrophobicContact SD-CE2 4.48Å; M59-F61 HydrophobicContact SD-CZ 3.56Å; M59-F61 VanDerWaalsContact SD-CZ 3.56Å; F61-L80 HydrophobicContact CB-CD2 3.98Å; F61-P83 PolarHBondContact N-O 2.79Å; F61-A85 VanDerWaalsContact CD2-O 3.22Å; F61-A85 WeakPolarHBondContact CD2-O 3.37Å; F61-T86 HydrophobicContact CE2-CG2 3.91Å; F61-T86 HydrophobicContact CZ-CG2 4.19Å; F61-V105 HydrophobicContact CD1-CG1 4.4Å; F61-T106 WeakPolarHBondContact CA-O 3.44Å; F61-A107 HydrophobicContact CD1-CB 3.94Å; F61-A107 HydrophobicContact CE1-CB 3.73Å
62I94.4Very high75.9Confident96 Ų9676.3 Ų76.349%0.49244%0.444SS..EExtended strand (participates in β ladder)trans-118.9124.7167.2-58.3172.5000105.8T106 V108I62-T106 PolarHBondContact N-O 2.76Å; I62-T106 PolarHBondContact O-N 3.21Å; I62-V108 HydrophobicContact CD1-CG2 4.02Å; I62-V108 HydrophobicContact CG1-CG2 4.34Å
63A96.4Very high77Confident6 Ų678.3 Ų78.35%0.0544%0.443CS..EExtended strand (participates in β ladder)trans-125.4128.417500000111.2W47 C78 L80 C88 N104 V105W47-A63 HydrophobicContact CH2-CB 4.21Å; A63-C78 HydrophobicContact CB-CB 3.81Å; A63-C78 PolarHBondContact O-N 3.35Å; A63-L80 HydrophobicContact CB-CD1 3.43Å; A63-L80 VanDerWaalsContact CB-CD1 3.43Å; A63-C88 HydrophobicContact CB-CB 4.42Å; A63-N104 VanDerWaalsContact CA-O 3.26Å; A63-N104 WeakPolarHBondContact CA-O 3.45Å; A63-V105 HydrophobicContact CB-CG2 4.33Å
64T96.4Very high79.1Confident40 Ų4080.5 Ų80.525%0.24544%0.443CS..EExtended strand (participates in β ladder)trans-134.1155.4176.958.10000109.5L76 L103 N104T64-L76 CarbonylContact C-O 3.6Å; T64-L76 WeakPolarHBondContact CA-O 3.18Å; T64-L76 WeakPolarHBondContact CB-O 3.32Å; T64-L103 WeakPolarHBondContact O-CD1 3.36Å; T64-N104 PolarHBondContact N-O 2.76Å; T64-N104 PolarHBondContact O-N 3.16Å
65Y95.8Very high81.1Confident19 Ų1975.7 Ų75.78%0.07542%0.422CS..EExtended strand (participates in β ladder)trans-132.2158.7173.974.2-86.1000110.6S75 L76 P77 C78 V90 Y101 V102Y65-S75 CarbonylContact O-C 3.53Å; Y65-S75 WeakPolarHBondContact O-CA 3.41Å; Y65-L76 HydrophobicContact CD1-CB 4.23Å; Y65-L76 HydrophobicContact CE1-CB 3.71Å; Y65-L76 HydrophobicContact CE2-CB 4.16Å; Y65-L76 HydrophobicContact CE2-CD1 3.96Å; Y65-L76 PolarHBondContact N-O 2.94Å; Y65-L76 PolarHBondContact O-N 2.5Å; Y65-L76 WeakPolarHBondContact OH-CD1 3.44Å; Y65-P77 WeakPolarHBondContact CE1-O 3.49Å; Y65-C78 HydrophobicContact CD1-CB 4.47Å; Y65-V90 HydrophobicContact CD1-CB 4.46Å; Y65-V90 HydrophobicContact CD1-CG1 3.98Å; Y65-V90 HydrophobicContact CD1-CG2 3.96Å; Y65-V90 HydrophobicContact CD2-CG1 3.94Å; Y65-V90 HydrophobicContact CE1-CG1 3.87Å; Y65-V90 HydrophobicContact CE1-CG2 4.48Å; Y65-V90 HydrophobicContact CE2-CG1 3.82Å; Y65-V90 HydrophobicContact CG-CG1 4.01Å; Y65-V90 HydrophobicContact CG-CG2 4.15Å; Y65-Y101 AromaticContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CE1 4.14Å; Y65-Y101 HydrophobicContact CE2-CD1 4.09Å; Y65-Y101 HydrophobicContact CE2-CE1 4Å; Y65-V102 CarbonylContact C-O 3.54Å; Y65-V102 VanDerWaalsContact CA-O 3.28Å; Y65-V102 WeakPolarHBondContact CA-O 3.19Å
66R94.1Very high83.1Confident35 Ų3576 Ų7613%0.13242%0.418CS..EExtended strand (participates in β ladder)trans-139.7154.4172.960.7-174.4-178.374.24.4110.3G68 M69 A70 Y101 V102R66-G68 PolarHBondContact NH1-O 3.06Å; R66-M69 PolarHBondContact NH1-O 2.6Å; R66-M69 VanDerWaalsContact NH1-O 3.1Å; R66-M69 PolarHBondContact NH2-O 3.45Å; R66-A70 VanDerWaalsContact NH1-C 3.32Å; R66-A70 PolarHBondContact NH1-O 2.83Å; R66-Y101 CarbonylContact O-C 3.54Å; R66-Y101 WeakPolarHBondContact O-CA 3.29Å; R66-V102 HydrophobicContact CG-CB 3.91Å; R66-V102 PolarHBondContact N-O 2.79Å; R66-V102 PolarHBondContact O-N 3.18Å
67L92Very high85.2Confident41 Ų4173 Ų7322%0.21540%0.401CS..EExtended strand (participates in β ladder)trans-90.2133.5173.3-70.8168.1000109.8Q73 V99 Y101L67-Q73 WeakPolarHBondContact O-CG 3.43Å; L67-V99 HydrophobicContact CB-CG1 4.45Å; L67-Y101 HydrophobicContact CD2-CD1 3.74Å; L67-Y101 HydrophobicContact CD2-CD2 4.13Å; L67-Y101 HydrophobicContact CD2-CE1 3.45Å; L67-Y101 VanDerWaalsContact CD2-CE1 3.45Å; L67-Y101 HydrophobicContact CD2-CE2 3.85Å; L67-Y101 HydrophobicContact CD2-CG 4.06Å; L67-Y101 VanDerWaalsContact CD2-CZ 3.49Å; L67-Y101 HydrophobicContact CG-CE1 4.35Å
68G87.9Confident87Confident14 Ų1465.1 Ų65.114%0.14437%0.372CS..SBendtrans83.6178.1-178.800000113.4R66 V99 P100 V102R66-G68 PolarHBondContact NH1-O 3.06Å; G68-V99 VanDerWaalsContact N-CG1 3.32Å; G68-P100 WeakPolarHBondContact CA-O 3.49Å; G68-P100 PolarHBondContact N-O 2.98Å; G68-V102 VanDerWaalsContact O-CG2 3.28Å; G68-V102 WeakPolarHBondContact O-CG2 3.44Å
69M83.4Confident88.8Confident127 Ų12766 Ų6663%0.62637%0.365SS*.SBendtrans-95.8-15.2-175.5-65.9-61.9-72.800114R66 A71 P100 V102 A119R66-M69 PolarHBondContact NH1-O 2.6Å; R66-M69 VanDerWaalsContact NH1-O 3.1Å; R66-M69 PolarHBondContact NH2-O 3.45Å; M69-A71 PolarHBondContact O-N 2.89Å; M69-P100 HydrophobicContact CG-CG 3.91Å; M69-P100 HydrophobicContact SD-CG 3.87Å; M69-V102 HydrophobicContact SD-CG2 3.65Å; M69-A119 HydrophobicContact SD-CB 4.41Å
70A79.8Confident89.5Confident49 Ų4965.6 Ų65.641%0.40536%0.364SS..  trans-66.1123.6179.300000111.8R66 Q72 Q73R66-A70 VanDerWaalsContact NH1-C 3.32Å; R66-A70 PolarHBondContact NH1-O 2.83Å; A70-Q72 PolarHBondContact O-N 3.48Å; A70-Q73 WeakPolarHBondContact O-CB 3.28Å; A70-Q73 PolarHBondContact O-N 3.5Å
71A71.6Confident89.7Confident76 Ų7667.8 Ų67.863%0.62838%0.377SS*.THydrogen-bonded Turntrans-67.5-24-177.900000113M69 Q73M69-A71 PolarHBondContact O-N 2.89Å; A71-Q73 PolarHBondContact O-N 2.84Å
72Q70.8Confident89.7Confident176 Ų17670.5 Ų70.582%0.82240%0.395SS*.THydrogen-bonded Turntrans-77.2-7.8179.5-62.585.6-17.800113.2A70A70-Q72 PolarHBondContact O-N 3.48Å
73Q77.2Confident89.5Confident103 Ų10369.7 Ų69.748%0.48140%0.396SS..SBendtrans-66.7142.3176.7-152.995.4-18.600110.5L67 A70 A71 S75L67-Q73 WeakPolarHBondContact O-CG 3.43Å; A70-Q73 WeakPolarHBondContact O-CB 3.28Å; A70-Q73 PolarHBondContact O-N 3.5Å; A71-Q73 PolarHBondContact O-N 2.84Å; Q73-S75 PolarHBondContact O-N 2.73Å
74Q85.9Confident89.3Confident164 Ų16475.1 Ų75.177%0.76642%0.42SS*.PPolyproline II helixtrans-56.4129.2176.4-168.5171.320.400110.8
75S91.9Very high89.1Confident64 Ų6474 Ų7445%0.44841%0.414SS..PPolyproline II helixtrans-91.6133.9176.1-62.50000109.9Y65 Q73Y65-S75 CarbonylContact O-C 3.53Å; Y65-S75 WeakPolarHBondContact O-CA 3.41Å; Q73-S75 PolarHBondContact O-N 2.73Å
76L94.6Very high88.9Confident72 Ų7275.8 Ų75.838%0.37743%0.427SS..EExtended strand (participates in β ladder)trans-105.6150178.2-64.3173000110T64 Y65T64-L76 CarbonylContact C-O 3.6Å; T64-L76 WeakPolarHBondContact CA-O 3.18Å; T64-L76 WeakPolarHBondContact CB-O 3.32Å; Y65-L76 HydrophobicContact CD1-CB 4.23Å; Y65-L76 HydrophobicContact CE1-CB 3.71Å; Y65-L76 HydrophobicContact CE2-CB 4.16Å; Y65-L76 HydrophobicContact CE2-CD1 3.96Å; Y65-L76 PolarHBondContact N-O 2.94Å; Y65-L76 PolarHBondContact O-N 2.5Å; Y65-L76 WeakPolarHBondContact OH-CD1 3.44Å
77P95.9Very high89Confident89 Ų8979.6 Ų79.658%0.57845%0.447SS*.EExtended strand (participates in β ladder)trans-69.2134.4177.328.5-33.6000111Y65Y65-P77 WeakPolarHBondContact CE1-O 3.49Å
78C97.1Very high89.3Confident6 Ų677.8 Ų77.84%0.04144%0.438CS..  trans-80.1134.2161.5-164.30000107.8A63 Y65 L80 C88 T89 L103A63-C78 HydrophobicContact CB-CB 3.81Å; A63-C78 PolarHBondContact O-N 3.35Å; Y65-C78 HydrophobicContact CD1-CB 4.47Å; C78-L80 PolarHBondContact O-N 3.42Å; C78-C88 HydrophobicContact CB-CB 3.79Å; C78-C88 WeakPolarHBondContact CB-SG 3.26Å; C78-C88 WeakPolarHBondContact SG-CB 3.34Å; C78-C88 CovalentContact SG-SG 2.04Å; C78-C88 PolarHBondContact SG-SG 2.81Å; C78-T89 PolarHBondContact SG-O 3.04Å; C78-T89 VanDerWaalsContact SG-O 3.41Å; C78-L103 HydrophobicContact CB-CD1 4.15Å
79L97.3Very high89.8Confident98 Ų9878.3 Ų78.351%0.51344%0.438SS..BIsolated β-bridgetrans-71.299.2-173.8-57177000110.2C88 T89 P91L79-C88 VanDerWaalsContact O-CA 3.26Å; L79-C88 WeakPolarHBondContact O-CA 2.93Å; L79-T89 WeakPolarHBondContact CB-O 3.49Å; L79-T89 PolarHBondContact N-O 2.82Å; L79-T89 PolarHBondContact O-N 3.4Å; L79-P91 HydrophobicContact CD1-CB 4.39Å; L79-P91 HydrophobicContact CD1-CG 4.12Å; L79-P91 HydrophobicContact CG-CG 4.49Å
80L95.4Very high90.4Very high45 Ų4572.3 Ų72.324%0.23641%0.408CS..  trans-87.9131.1171.2-99.778000109.8W47 F61 A63 C78 C88W47-L80 HydrophobicContact CH2-CD1 4.17Å; F61-L80 HydrophobicContact CB-CD2 3.98Å; A63-L80 HydrophobicContact CB-CD1 3.43Å; A63-L80 VanDerWaalsContact CB-CD1 3.43Å; C78-L80 PolarHBondContact O-N 3.42Å; L80-C88 HydrophobicContact CD1-CB 3.39Å; L80-C88 HydrophobicContact CG-CB 4.17Å
81P93.6Very high91.2Very high90 Ų9071.3 Ų71.358%0.58440%0.398SS*.SBendtrans-63-42.4172.3-23.333.3000113A85 Q87P81-A85 HydrophobicContact CB-CB 4.48Å; P81-A85 HydrophobicContact CG-CB 4.37Å; P81-Q87 WeakPolarHBondContact CD-O 3.35Å
82T92.9Very high92Very high71 Ų7173.7 Ų73.744%0.43640%0.4SS..SBendtrans-146.4159.2178.164.40000109.9Q84 A85T82-Q84 PolarHBondContact O-N 2.76Å; T82-Q84 VanDerWaalsContact O-N 3.12Å; T82-A85 VanDerWaalsContact O-CB 3.24Å; T82-A85 WeakPolarHBondContact O-CB 3.39Å; T82-A85 PolarHBondContact O-N 2.86Å; T82-A85 PolarHBondContact OG1-N 3.43Å
83P90.7Very high93Very high78 Ų7866 Ų6651%0.50637%0.365SS..THydrogen-bonded Turntrans-59-23176.9-25.835.4000114.4S60 F61S60-P83 CarbonylContact C-O 3.55Å; S60-P83 VanDerWaalsContact CA-O 3.24Å; S60-P83 WeakPolarHBondContact CA-O 3.37Å; F61-P83 PolarHBondContact N-O 2.79Å
84Q90.6Very high93.7Very high121 Ų12165.9 Ų65.957%0.56536%0.364SS*.THydrogen-bonded Turntrans-95.1-4.1178.8-55.789.6-23.900112.9T82T82-Q84 PolarHBondContact O-N 2.76Å; T82-Q84 VanDerWaalsContact O-N 3.12Å
85A91.9Very high94Very high15 Ų1561.6 Ų61.612%0.12435%0.346CS..  trans-63.5140179.300000110.7W47 F61 P81 T82 Q87W47-A85 WeakPolarHBondContact CZ2-O 3.43Å; F61-A85 VanDerWaalsContact CD2-O 3.22Å; F61-A85 WeakPolarHBondContact CD2-O 3.37Å; P81-A85 HydrophobicContact CB-CB 4.48Å; P81-A85 HydrophobicContact CG-CB 4.37Å; T82-A85 VanDerWaalsContact O-CB 3.24Å; T82-A85 WeakPolarHBondContact O-CB 3.39Å; T82-A85 PolarHBondContact O-N 2.86Å; T82-A85 PolarHBondContact OG1-N 3.43Å; A85-Q87 VanDerWaalsContact C-N 3.31Å
86T93.3Very high93.7Very high57 Ų5766.1 Ų66.135%0.3536%0.358SS..SBendtrans-99.520.217751.90000112.4S46 W47 P49 F61S46-T86 CarbonylContact C-O 3.51Å; S46-T86 VanDerWaalsContact CA-O 3.26Å; S46-T86 WeakPolarHBondContact CA-O 3.19Å; W47-T86 PolarHBondContact N-O 2.86Å; W47-T86 WeakPolarHBondContact O-CB 3.35Å; P49-T86 HydrophobicContact CG-CG2 4.16Å; F61-T86 HydrophobicContact CE2-CG2 3.91Å; F61-T86 HydrophobicContact CZ-CG2 4.19Å
87Q95.9Very high93.4Very high115 Ų11563.9 Ų63.954%0.53735%0.349SS..EExtended strand (participates in β ladder)trans-144.4151179.666.3-178.655.700110.9C45 P81 A85C45-Q87 CarbonylContact O-C 3.51Å; C45-Q87 WeakPolarHBondContact O-CA 3.44Å; C45-Q87 WeakPolarHBondContact O-CB 3.49Å; P81-Q87 WeakPolarHBondContact CD-O 3.35Å; A85-Q87 VanDerWaalsContact C-N 3.31Å
88C97.4Very high93Very high3 Ų365.8 Ų65.82%0.0236%0.359CS..EExtended strand (participates in β ladder)trans-147.7161.6173.780.10000111.5C45 W47 A63 C78 L79 L80C45-C88 PolarHBondContact N-O 3.48Å; C45-C88 PolarHBondContact O-N 3.32Å; W47-C88 HydrophobicContact CH2-CB 4Å; W47-C88 HydrophobicContact CZ3-CB 4.13Å; A63-C88 HydrophobicContact CB-CB 4.42Å; C78-C88 HydrophobicContact CB-CB 3.79Å; C78-C88 WeakPolarHBondContact CB-SG 3.26Å; C78-C88 WeakPolarHBondContact SG-CB 3.34Å; C78-C88 CovalentContact SG-SG 2.04Å; C78-C88 PolarHBondContact SG-SG 2.81Å; L79-C88 VanDerWaalsContact O-CA 3.26Å; L79-C88 WeakPolarHBondContact O-CA 2.93Å; L80-C88 HydrophobicContact CD1-CB 3.39Å; L80-C88 HydrophobicContact CG-CB 4.17Å
89T98.1Very high92.7Very high26 Ų2668.5 Ų68.516%0.1638%0.375CS..EExtended strand (participates in β ladder)trans-116.5130.4178.6-64.40000110.4R38 A42 V43 D44 C78 L79 P91R38-T89 PolarHBondContact NH1-OG1 3.16Å; A42-T89 HydrophobicContact CB-CG2 3.59Å; V43-T89 WeakPolarHBondContact O-CA 3.27Å; D44-T89 PolarHBondContact OD1-OG1 3.11Å; C78-T89 PolarHBondContact SG-O 3.04Å; C78-T89 VanDerWaalsContact SG-O 3.41Å; L79-T89 WeakPolarHBondContact CB-O 3.49Å; L79-T89 PolarHBondContact N-O 2.82Å; L79-T89 PolarHBondContact O-N 3.4Å; T89-P91 WeakPolarHBondContact O-CD 3.25Å
90V97.6Very high92.6Very high0 Ų065.2 Ų65.20%036%0.36CS..EExtended strand (participates in β ladder)trans-95.5107.2167.9178.40000107.7A42 V43 Y65 Y101A42-V90 VanDerWaalsContact CA-O 3.3Å; A42-V90 WeakPolarHBondContact CA-O 3.47Å; A42-V90 VanDerWaalsContact CB-O 3.3Å; A42-V90 WeakPolarHBondContact CB-O 3.29Å; V43-V90 HydrophobicContact CB-CB 4.29Å; V43-V90 PolarHBondContact N-O 3.27Å; V43-V90 PolarHBondContact O-N 3.35Å; Y65-V90 HydrophobicContact CD1-CB 4.46Å; Y65-V90 HydrophobicContact CD1-CG1 3.98Å; Y65-V90 HydrophobicContact CD1-CG2 3.96Å; Y65-V90 HydrophobicContact CD2-CG1 3.94Å; Y65-V90 HydrophobicContact CE1-CG1 3.87Å; Y65-V90 HydrophobicContact CE1-CG2 4.48Å; Y65-V90 HydrophobicContact CE2-CG1 3.82Å; Y65-V90 HydrophobicContact CG-CG1 4.01Å; Y65-V90 HydrophobicContact CG-CG2 4.15Å; V90-Y101 HydrophobicContact CG1-CD1 3.96Å; V90-Y101 HydrophobicContact CG1-CE1 3.86Å
91P95.5Very high92.6Very high29 Ų2963.3 Ų63.319%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-77.6174.9179.435-36.6000111.6L79 T89 V93L79-P91 HydrophobicContact CD1-CB 4.39Å; L79-P91 HydrophobicContact CD1-CG 4.12Å; L79-P91 HydrophobicContact CG-CG 4.49Å; T89-P91 WeakPolarHBondContact O-CD 3.25Å; P91-V93 PolarHBondContact O-N 3.06Å
92D88.9Confident92.7Very high126 Ų12659.4 Ų59.467%0.67432%0.324SS*.SBendtrans53.260.4166.2-53.3-43.6000113.5V41 H94V41-D92 PolarHBondContact O-N 3.47Å; D92-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-ND1 3.18Å
93V92.5Very high92.9Very high13 Ų1356 Ų568%0.07930%0.303CS..  trans-62.8128.5179.5-175.90000110Y39 P40 V43 P91 L95 Y101 A122Y39-V93 HydrophobicContact CD2-CG1 4.33Å; Y39-V93 HydrophobicContact CE2-CG1 4Å; P40-V93 VanDerWaalsContact O-CB 3.26Å; P40-V93 WeakPolarHBondContact O-CB 3.1Å; P40-V93 WeakPolarHBondContact O-CG2 3.39Å; V43-V93 HydrophobicContact CG2-CG2 3.98Å; P91-V93 PolarHBondContact O-N 3.06Å; V93-L95 PolarHBondContact O-N 3.11Å; V93-Y101 WeakPolarHBondContact CA-OH 3.29Å; V93-A122 HydrophobicContact CG1-CB 3.26Å
94H91.4Very high93.1Very high102 Ų10254.6 Ų54.647%0.47229%0.291SS..  trans-74.3108.6173.9-78.851.4000109.2D92 Y101D92-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-ND1 3.18Å; H94-Y101 PolarHBondContact N-OH 2.9Å
95L91.3Very high93.3Very high74 Ų7448.8 Ų48.839%0.38726%0.264SS..THydrogen-bonded Turntrans-65139.6178.3-68.7175.8000111.9Y39 P40 V93 S97 F159Y39-L95 HydrophobicContact CE1-CD2 4.06Å; Y39-L95 HydrophobicContact CE2-CD2 4.28Å; Y39-L95 WeakPolarHBondContact OH-CD2 3.19Å; P40-L95 HydrophobicContact CB-CD2 3.23Å; P40-L95 HydrophobicContact CB-CG 4.2Å; P40-L95 HydrophobicContact CG-CD2 3.95Å; V93-L95 PolarHBondContact O-N 3.11Å; L95-S97 PolarHBondContact O-N 3.03Å; L95-F159 HydrophobicContact CD1-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CE1 3.95Å; L95-F159 HydrophobicContact CD2-CZ 3.86Å
96F85.9Confident93.3Very high158 Ų15849.2 Ų49.269%0.69327%0.265SS*.THydrogen-bonded Turntrans58.729.3172.7-44.8-65.2000113.3E123F96-E123 WeakPolarHBondContact CA-OE1 3.46Å; F96-E123 PolarHBondContact N-OE1 3.49Å
97S88.2Confident93.2Very high26 Ų2646.6 Ų46.618%0.18225%0.25CC..  trans-101.3129.7-176.2-176.50000111L95 V99 V121 E123L95-S97 PolarHBondContact O-N 3.03Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 WeakPolarHBondContact OG-CB 3.45Å; S97-V99 PolarHBondContact OG-N 3.21Å; S97-V99 VanDerWaalsContact OG-N 3.16Å; S97-V121 WeakPolarHBondContact O-CG1 3.5Å; S97-E123 PolarHBondContact N-OE1 2.85Å; S97-E123 VanDerWaalsContact N-OE1 3.16Å
98T88.1Confident92.8Very high128 Ų12843.5 Ų43.579%0.78524%0.238SC*.  trans-85.3-2.9169.659.40000112.5P100T98-P100 WeakPolarHBondContact O-CD 3.4Å
99V91.4Very high92.2Very high63 Ų6346.5 Ų46.538%0.38225%0.252SS..PPolyproline II helixtrans-73.8121.3-179.9-1790000108.8L67 G68 S97L67-V99 HydrophobicContact CB-CG1 4.45Å; G68-V99 VanDerWaalsContact N-CG1 3.32Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 WeakPolarHBondContact OG-CB 3.45Å; S97-V99 PolarHBondContact OG-N 3.21Å; S97-V99 VanDerWaalsContact OG-N 3.16Å
100P94.3Very high91.4Very high30 Ų3048.7 Ų48.720%0.19527%0.267CS..PPolyproline II helixtrans-73.1144.1-179.130.1-34.7000111.1G68 M69 T98 F120 V121G68-P100 WeakPolarHBondContact CA-O 3.49Å; G68-P100 PolarHBondContact N-O 2.98Å; M69-P100 HydrophobicContact CG-CG 3.91Å; M69-P100 HydrophobicContact SD-CG 3.87Å; T98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-F120 CarbonylContact C-O 3.59Å; P100-F120 VanDerWaalsContact CA-O 3.31Å; P100-F120 WeakPolarHBondContact CA-O 3.31Å; P100-V121 HydrophobicContact CB-CG2 4.24Å
101Y95.3Very high90.5Very high4 Ų452.3 Ų52.32%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-76.4140.3158.5-68.2-102.1000108.7Y65 R66 L67 V90 V93 H94 A119 F120 A122Y65-Y101 AromaticContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CD1 3.73Å; Y65-Y101 HydrophobicContact CD2-CE1 4.14Å; Y65-Y101 HydrophobicContact CE2-CD1 4.09Å; Y65-Y101 HydrophobicContact CE2-CE1 4Å; R66-Y101 CarbonylContact O-C 3.54Å; R66-Y101 WeakPolarHBondContact O-CA 3.29Å; L67-Y101 HydrophobicContact CD2-CD1 3.74Å; L67-Y101 HydrophobicContact CD2-CD2 4.13Å; L67-Y101 HydrophobicContact CD2-CE1 3.45Å; L67-Y101 VanDerWaalsContact CD2-CE1 3.45Å; L67-Y101 HydrophobicContact CD2-CE2 3.85Å; L67-Y101 HydrophobicContact CD2-CG 4.06Å; L67-Y101 VanDerWaalsContact CD2-CZ 3.49Å; L67-Y101 HydrophobicContact CG-CE1 4.35Å; V90-Y101 HydrophobicContact CG1-CD1 3.96Å; V90-Y101 HydrophobicContact CG1-CE1 3.86Å; V93-Y101 WeakPolarHBondContact CA-OH 3.29Å; H94-Y101 PolarHBondContact N-OH 2.9Å; Y101-A119 CarbonylContact O-C 3.57Å; Y101-A119 WeakPolarHBondContact O-CA 3.23Å; Y101-F120 HydrophobicContact CD2-CD2 4.33Å; Y101-F120 AromaticContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CG-CD2 4.42Å; Y101-F120 AromaticContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CZ 4.03Å; Y101-F120 PolarHBondContact N-O 3.42Å; Y101-F120 PolarHBondContact O-N 2.78Å; Y101-A122 HydrophobicContact CE2-CB 4.38Å
102V95.8Very high90Very high8 Ų852.5 Ų52.55%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-118.5104.5170-177.30000108Y65 R66 G68 M69 L117 A119Y65-V102 CarbonylContact C-O 3.54Å; Y65-V102 VanDerWaalsContact CA-O 3.28Å; Y65-V102 WeakPolarHBondContact CA-O 3.19Å; R66-V102 HydrophobicContact CG-CB 3.91Å; R66-V102 PolarHBondContact N-O 2.79Å; R66-V102 PolarHBondContact O-N 3.18Å; G68-V102 VanDerWaalsContact O-CG2 3.28Å; G68-V102 WeakPolarHBondContact O-CG2 3.44Å; M69-V102 HydrophobicContact SD-CG2 3.65Å; V102-L117 HydrophobicContact CG1-CD2 4.32Å; V102-A119 HydrophobicContact CG2-CB 4.27Å
103L96.4Very high89.9Confident1 Ų149.7 Ų49.71%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-85.9131.5175.6179.173.2000109.7V32 C45 T64 C78 V105 L117 L118 F120V32-L103 HydrophobicContact CG1-CD2 3.71Å; C45-L103 HydrophobicContact CB-CD2 3.72Å; T64-L103 WeakPolarHBondContact O-CD1 3.36Å; C78-L103 HydrophobicContact CB-CD1 4.15Å; L103-V105 HydrophobicContact CD2-CG2 4Å; L103-V105 HydrophobicContact CG-CG2 4.03Å; L103-L117 CarbonylContact O-C 3.6Å; L103-L117 VanDerWaalsContact O-CA 3.31Å; L103-L117 WeakPolarHBondContact O-CA 3.4Å; L103-L118 PolarHBondContact N-O 3.4Å; L103-L118 PolarHBondContact O-N 2.88Å; L103-F120 HydrophobicContact CB-CE1 4.1Å
104N95Very high89.7Confident47 Ų4750.1 Ų50.125%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-113.6120.8171.3-176-0.1000109.4A63 T64 T106 S116 L117A63-N104 VanDerWaalsContact CA-O 3.26Å; A63-N104 WeakPolarHBondContact CA-O 3.45Å; T64-N104 PolarHBondContact N-O 2.76Å; T64-N104 PolarHBondContact O-N 3.16Å; N104-T106 PolarHBondContact OD1-OG1 2.89Å; N104-S116 WeakPolarHBondContact CA-O 3.48Å; N104-L117 HydrophobicContact CB-CD2 3.51Å
105V94.7Very high89.6Confident0 Ų047.7 Ų47.70%030%0.303CS..EExtended strand (participates in β ladder)trans-114.7117.1173.6-178.70000108.2P30 V32 W47 F61 A63 L103 S115 S116P30-V105 HydrophobicContact CG-CG1 4.38Å; V32-V105 HydrophobicContact CG1-CG2 4.21Å; V32-V105 HydrophobicContact CG2-CB 4.09Å; V32-V105 HydrophobicContact CG2-CG2 3.89Å; W47-V105 HydrophobicContact CD2-CG1 3.7Å; W47-V105 HydrophobicContact CD2-CG2 4.35Å; W47-V105 HydrophobicContact CE3-CG1 4.05Å; W47-V105 HydrophobicContact CE3-CG2 3.87Å; W47-V105 HydrophobicContact CG-CG1 4.14Å; W47-V105 HydrophobicContact CH2-CG1 4.3Å; W47-V105 HydrophobicContact CZ2-CG1 3.95Å; W47-V105 HydrophobicContact CZ3-CG1 4.34Å; W47-V105 HydrophobicContact CZ3-CG2 3.98Å; F61-V105 HydrophobicContact CD1-CG1 4.4Å; A63-V105 HydrophobicContact CB-CG2 4.33Å; L103-V105 HydrophobicContact CD2-CG2 4Å; L103-V105 HydrophobicContact CG-CG2 4.03Å; V105-S115 CarbonylContact O-C 3.45Å; V105-S115 VanDerWaalsContact O-CA 3.3Å; V105-S115 WeakPolarHBondContact O-CA 3.12Å; V105-S116 PolarHBondContact N-O 3.12Å; V105-S116 PolarHBondContact O-N 2.82Å
106T92.3Very high89.6Confident23 Ų2344.6 Ų44.614%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-111116.8178.4-60.30000109.8F61 I62 N104 V108 A113 S114 S115F61-T106 WeakPolarHBondContact CA-O 3.44Å; I62-T106 PolarHBondContact N-O 2.76Å; I62-T106 PolarHBondContact O-N 3.21Å; N104-T106 PolarHBondContact OD1-OG1 2.89Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å; T106-A113 HydrophobicContact CG2-CB 3.99Å; T106-S114 CarbonylContact C-O 3.59Å; T106-S114 WeakPolarHBondContact CA-O 3.3Å; T106-S115 WeakPolarHBondContact CG2-OG 3.5Å; T106-S115 PolarHBondContact OG1-OG 3.23Å
107A90.4Very high89.9Confident3 Ų343 Ų433%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-86.2118.6171.600000109.5M59 F61 A113 S114M59-A107 HydrophobicContact CE-CB 4.39Å; M59-A107 HydrophobicContact SD-CB 4.26Å; F61-A107 HydrophobicContact CD1-CB 3.94Å; F61-A107 HydrophobicContact CE1-CB 3.73Å; A107-A113 CarbonylContact O-C 3.5Å; A107-A113 VanDerWaalsContact O-CA 3.27Å; A107-A113 WeakPolarHBondContact O-CA 3.4Å; A107-S114 PolarHBondContact N-O 2.97Å; A107-S114 PolarHBondContact O-N 2.89Å
108V88.9Confident90.3Very high49 Ų4944.1 Ų44.130%0.29729%0.29SS..EExtended strand (participates in β ladder)trans-101.1124.3179.5-175.80000108.6S60 I62 T106S60-V108 PolarHBondContact N-O 2.79Å; S60-V108 VanDerWaalsContact N-O 3.15Å; S60-V108 PolarHBondContact O-N 3.19Å; I62-V108 HydrophobicContact CD1-CG2 4.02Å; I62-V108 HydrophobicContact CG1-CG2 4.34Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å
109H84.8Confident90.6Very high66 Ų6640.7 Ų40.731%0.30627%0.274SS..EExtended strand (participates in β ladder)trans-131.5160.8175.953.2-85.6000109.7M59 G111 G112M59-H109 HydrophobicContact CE-CB 4.48Å; H109-G111 PolarHBondContact O-N 3.18Å; H109-G112 CarbonylContact C-O 3.59Å; H109-G112 PolarHBondContact CD2-N 3.16Å; H109-G112 VanDerWaalsContact CD2-N 3.29Å; H109-G112 PolarHBondContact CD2-O 3.36Å; H109-G112 PolarHBondContact CE1-O 3.09Å; H109-G112 VanDerWaalsContact CE1-O 3.25Å; H109-G112 VanDerWaalsContact CG-O 3.24Å; H109-G112 PolarHBondContact N-O 3.17Å; H109-G112 PolarHBondContact ND1-O 3.41Å; H109-G112 VanDerWaalsContact ND1-O 3.11Å; H109-G112 PolarHBondContact NE2-N 3.13Å; H109-G112 PolarHBondContact NE2-O 3.37Å; H109-G112 CarbonylContact O-C 3.59Å; H109-G112 PolarHBondContact O-N 3.19Å
110P81.6Confident90.8Very high73 Ų7338.3 Ų38.347%0.47426%0.259SS..THydrogen-bonded Turntrans-65.7-15.2-174.8-33.646.1000115.5R57R57-P110 HydrophobicContact CB-CG 4.36Å; R57-P110 VanDerWaalsContact CD-CG 3.46Å; R57-P110 HydrophobicContact CG-CG 3.77Å
111G77.9Confident90.9Very high75 Ų7538.1 Ų38.177%0.77326%0.257SS*.THydrogen-bonded Turntrans-94.30174.300000115H109H109-G111 PolarHBondContact O-N 3.18Å
112G84.5Confident90.9Very high34 Ų3438 Ų3835%0.35126%0.257SS..EExtended strand (participates in β ladder)trans150-167.1-17700000114.4H109H109-G112 CarbonylContact C-O 3.59Å; H109-G112 PolarHBondContact CD2-N 3.16Å; H109-G112 VanDerWaalsContact CD2-N 3.29Å; H109-G112 PolarHBondContact CD2-O 3.36Å; H109-G112 PolarHBondContact CE1-O 3.09Å; H109-G112 VanDerWaalsContact CE1-O 3.25Å; H109-G112 VanDerWaalsContact CG-O 3.24Å; H109-G112 PolarHBondContact N-O 3.17Å; H109-G112 PolarHBondContact ND1-O 3.41Å; H109-G112 VanDerWaalsContact ND1-O 3.11Å; H109-G112 PolarHBondContact NE2-N 3.13Å; H109-G112 PolarHBondContact NE2-O 3.37Å; H109-G112 CarbonylContact O-C 3.59Å; H109-G112 PolarHBondContact O-N 3.19Å
113A86.9Confident90.8Very high67 Ų6738 Ų3855%0.55426%0.256SS*.EExtended strand (participates in β ladder)trans-132.5144.3175.600000110.3T106 A107T106-A113 HydrophobicContact CG2-CB 3.99Å; A107-A113 CarbonylContact O-C 3.5Å; A107-A113 VanDerWaalsContact O-CA 3.27Å; A107-A113 WeakPolarHBondContact O-CA 3.4Å
114S87.7Confident90.8Very high21 Ų2147.3 Ų47.315%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-126.1135.7171.364.60000110.3S28 T106 A107S28-S114 PolarHBondContact O-OG 3.24Å; S28-S114 VanDerWaalsContact O-OG 3.08Å; T106-S114 CarbonylContact C-O 3.59Å; T106-S114 WeakPolarHBondContact CA-O 3.3Å; A107-S114 PolarHBondContact N-O 2.97Å; A107-S114 PolarHBondContact O-N 2.89Å
115S89.5Confident90.9Very high51 Ų5146.8 Ų46.836%0.35729%0.288SS..EExtended strand (participates in β ladder)trans-120.2141.2-175.8-55.70000111.5Q29 V105 T106Q29-S115 PolarHBondContact NE2-O 2.96Å; Q29-S115 VanDerWaalsContact NE2-O 3.16Å; V105-S115 CarbonylContact O-C 3.45Å; V105-S115 VanDerWaalsContact O-CA 3.3Å; V105-S115 WeakPolarHBondContact O-CA 3.12Å; T106-S115 WeakPolarHBondContact CG2-OG 3.5Å; T106-S115 PolarHBondContact OG1-OG 3.23Å
116S91.8Very high91Very high9 Ų946.9 Ų46.96%0.06329%0.289CS..EExtended strand (participates in β ladder)trans-119.4134171.4-710000110.1Q29 P30 N104 V105Q29-S116 WeakPolarHBondContact CB-OG 3.31Å; P30-S116 WeakPolarHBondContact CD-OG 3.32Å; P30-S116 WeakPolarHBondContact CG-OG 3.36Å; P30-S116 VanDerWaalsContact N-OG 3.17Å; P30-S116 WeakPolarHBondContact O-CB 3.5Å; P30-S116 PolarHBondContact O-OG 2.82Å; N104-S116 WeakPolarHBondContact CA-O 3.48Å; V105-S116 PolarHBondContact N-O 3.12Å; V105-S116 PolarHBondContact O-N 2.82Å
117L93.3Very high91.3Very high124 Ų12448 Ų4865%0.64929%0.292SS*.EExtended strand (participates in β ladder)trans-106.3134.1172.6-65.5175.3000110.2V102 L103 N104V102-L117 HydrophobicContact CG1-CD2 4.32Å; L103-L117 CarbonylContact O-C 3.6Å; L103-L117 VanDerWaalsContact O-CA 3.31Å; L103-L117 WeakPolarHBondContact O-CA 3.4Å; N104-L117 HydrophobicContact CB-CD2 3.51Å
118L95.4Very high91.7Very high51 Ų5147.9 Ų47.927%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-130.3117.5173.1-179.566.3000109.8V32 C34 L103 F120V32-L118 HydrophobicContact CB-CB 4.4Å; V32-L118 HydrophobicContact CB-CD2 4.19Å; V32-L118 HydrophobicContact CG1-CB 4.39Å; V32-L118 HydrophobicContact CG1-CD2 3.86Å; C34-L118 HydrophobicContact CB-CD2 4.28Å; L103-L118 PolarHBondContact N-O 3.4Å; L103-L118 PolarHBondContact O-N 2.88Å; L118-F120 HydrophobicContact CD2-CD1 4.49Å; L118-F120 HydrophobicContact CG-CD1 4.4Å
119A95.4Very high92.1Very high56 Ų5647.6 Ų47.646%0.46329%0.287SS..EExtended strand (participates in β ladder)trans-93135.6171.800000110.7M69 Y101 V102M69-A119 HydrophobicContact SD-CB 4.41Å; Y101-A119 CarbonylContact O-C 3.57Å; Y101-A119 WeakPolarHBondContact O-CA 3.23Å; V102-A119 HydrophobicContact CG2-CB 4.27Å
120F95.5Very high92.8Very high13 Ų1346.3 Ų46.36%0.05729%0.285CS..EExtended strand (participates in β ladder)trans-150.9155.1175.562.7-95.3000112.3C34 V43 P100 Y101 L103 L118 I125C34-F120 HydrophobicContact CB-CD1 4.26Å; C34-F120 HydrophobicContact CB-CE1 4.21Å; V43-F120 HydrophobicContact CB-CE2 4.29Å; V43-F120 HydrophobicContact CB-CZ 4.42Å; V43-F120 HydrophobicContact CG1-CE2 3.9Å; V43-F120 HydrophobicContact CG1-CZ 3.91Å; V43-F120 HydrophobicContact CG2-CE2 4.02Å; P100-F120 CarbonylContact C-O 3.59Å; P100-F120 VanDerWaalsContact CA-O 3.31Å; P100-F120 WeakPolarHBondContact CA-O 3.31Å; Y101-F120 HydrophobicContact CD2-CD2 4.33Å; Y101-F120 AromaticContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CD2-CE2 3.9Å; Y101-F120 HydrophobicContact CG-CD2 4.42Å; Y101-F120 AromaticContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CE2 3.76Å; Y101-F120 HydrophobicContact CG-CZ 4.03Å; Y101-F120 PolarHBondContact N-O 3.42Å; Y101-F120 PolarHBondContact O-N 2.78Å; L103-F120 HydrophobicContact CB-CE1 4.1Å; L118-F120 HydrophobicContact CD2-CD1 4.49Å; L118-F120 HydrophobicContact CG-CD1 4.4Å; F120-I125 HydrophobicContact CB-CD1 4.28Å; F120-I125 HydrophobicContact CB-CG2 4.14Å; F120-I125 HydrophobicContact CD2-CD1 3.41Å; F120-I125 VanDerWaalsContact CD2-CD1 3.41Å; F120-I125 HydrophobicContact CD2-CG1 4.21Å; F120-I125 HydrophobicContact CE2-CD1 3.83Å; F120-I125 HydrophobicContact CG-CD1 3.88Å
121V95.3Very high93.6Very high25 Ų2543.1 Ų43.115%0.15226%0.264CS..  trans-106.8131166.7174.40000106.7S97 P100 E123 R124 I125S97-V121 WeakPolarHBondContact O-CG1 3.5Å; P100-V121 HydrophobicContact CB-CG2 4.24Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 VanDerWaalsContact CG1-OE2 3.28Å; V121-E123 WeakPolarHBondContact CG1-OE2 3.18Å; V121-E123 PolarHBondContact O-N 2.85Å; V121-R124 HydrophobicContact CB-CB 4.35Å; V121-R124 HydrophobicContact CB-CG 4.05Å; V121-R124 HydrophobicContact CG1-CG 4.26Å; V121-R124 PolarHBondContact O-N 3.43Å; V121-I125 PolarHBondContact O-N 3.17Å
122A94.9Very high94.5Very high1 Ų143.6 Ų43.61%0.00825%0.246CC..THydrogen-bonded Turntrans-58.9-43.9-168.900000112.3Y39 V43 V93 Y101 R124 I125 I126Y39-A122 HydrophobicContact CE2-CB 4.49Å; V43-A122 HydrophobicContact CG2-CB 4.29Å; V93-A122 HydrophobicContact CG1-CB 3.26Å; Y101-A122 HydrophobicContact CE2-CB 4.38Å; A122-R124 PolarHBondContact O-N 2.93Å; A122-I125 CarbonylContact O-C 3.49Å; A122-I125 WeakPolarHBondContact O-CG1 3.28Å; A122-I125 PolarHBondContact O-N 2.89Å; A122-I126 PolarHBondContact O-N 2.77Å
123E94.8Very high95.1Very high9 Ų945 Ų454%0.04225%0.251CS..G310 helixtrans-59.6-35.7178.3-65.683.916800111.6Y39 F96 S97 V121 I125 I126 Y209 G210Y39-E123 HydrophobicContact CE2-CG 4.49Å; F96-E123 WeakPolarHBondContact CA-OE1 3.46Å; F96-E123 PolarHBondContact N-OE1 3.49Å; S97-E123 PolarHBondContact N-OE1 2.85Å; S97-E123 VanDerWaalsContact N-OE1 3.16Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 VanDerWaalsContact CG1-OE2 3.28Å; V121-E123 WeakPolarHBondContact CG1-OE2 3.18Å; V121-E123 PolarHBondContact O-N 2.85Å; E123-I125 VanDerWaalsContact C-N 3.25Å; E123-I125 PolarHBondContact O-N 3.41Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.32Å; E123-Y209 HydrophobicContact CB-CD1 4.4Å; E123-Y209 HydrophobicContact CB-CD2 4.11Å; E123-Y209 HydrophobicContact CB-CG 4.05Å; E123-Y209 HydrophobicContact CG-CD2 4.2Å; E123-Y209 HydrophobicContact CG-CE2 4.41Å; E123-Y209 WeakPolarHBondContact O-CB 3.44Å; E123-G210 PolarHBondContact O-N 3.39Å; E123-G210 VanDerWaalsContact O-N 3.11Å
124R95.5Very high95.6Very high196 Ų19642.4 Ų42.474%0.7423%0.228SC*.G310 helixtrans-74.8-15.9179.8-62.7-171.7179-138.4-0.1113.5V121 A122V121-R124 HydrophobicContact CB-CB 4.35Å; V121-R124 HydrophobicContact CB-CG 4.05Å; V121-R124 HydrophobicContact CG1-CG 4.26Å; V121-R124 PolarHBondContact O-N 3.43Å; A122-R124 PolarHBondContact O-N 2.93Å
125I97Very high96.1Very high37 Ų3746.3 Ų46.319%0.1924%0.239CC..G310 helixtrans-113.211.6179.566.1163.8000112.8C34 A36 V43 F120 V121 A122 E123 K127C34-I125 HydrophobicContact CB-CD1 3.89Å; A36-I125 HydrophobicContact CB-CG1 4.26Å; A36-I125 PolarHBondContact N-O 3.43Å; V43-I125 HydrophobicContact CG1-CD1 3.51Å; V43-I125 HydrophobicContact CG2-CD1 4.18Å; F120-I125 HydrophobicContact CB-CD1 4.28Å; F120-I125 HydrophobicContact CB-CG2 4.14Å; F120-I125 HydrophobicContact CD2-CD1 3.41Å; F120-I125 VanDerWaalsContact CD2-CD1 3.41Å; F120-I125 HydrophobicContact CD2-CG1 4.21Å; F120-I125 HydrophobicContact CE2-CD1 3.83Å; F120-I125 HydrophobicContact CG-CD1 3.88Å; V121-I125 PolarHBondContact O-N 3.17Å; A122-I125 CarbonylContact O-C 3.49Å; A122-I125 WeakPolarHBondContact O-CG1 3.28Å; A122-I125 PolarHBondContact O-N 2.89Å; E123-I125 VanDerWaalsContact C-N 3.25Å; E123-I125 PolarHBondContact O-N 3.41Å; I125-K127 PolarHBondContact O-N 3.01Å
126I97.7Very high96.3Very high1 Ų144.7 Ų44.71%0.00523%0.226CC..BIsolated β-bridgetrans-56123.4167-67.1174.4000108.2A36 Y39 A122 E123 W153 D205 G210 K211A36-I126 HydrophobicContact CB-CG1 4.24Å; Y39-I126 HydrophobicContact CD1-CD1 3.73Å; Y39-I126 HydrophobicContact CD1-CG1 4.38Å; Y39-I126 HydrophobicContact CD2-CD1 3.81Å; Y39-I126 HydrophobicContact CD2-CG1 3.87Å; Y39-I126 HydrophobicContact CE1-CD1 3.86Å; Y39-I126 HydrophobicContact CE2-CD1 3.95Å; Y39-I126 HydrophobicContact CE2-CG1 4.39Å; Y39-I126 HydrophobicContact CG-CD1 3.7Å; Y39-I126 HydrophobicContact CG-CG1 3.86Å; A122-I126 PolarHBondContact O-N 2.77Å; E123-I126 HydrophobicContact CB-CD1 4.41Å; E123-I126 PolarHBondContact O-N 3.32Å; I126-W153 HydrophobicContact CG2-CH2 3.82Å; I126-W153 HydrophobicContact CG2-CZ3 4.12Å; I126-D205 HydrophobicContact CG2-CB 4.04Å; I126-G210 CarbonylContact O-C 3.5Å; I126-G210 WeakPolarHBondContact O-CA 3.41Å; I126-K211 PolarHBondContact O-N 3.13Å
127K98.1Very high96.4Very high47 Ų4748.9 Ų48.920%0.20424%0.241CC..  trans-154.192.8171.8-174-171.5157.576.90106.7R35 A36 I125 K211 P212 D214R35-K127 HydrophobicContact CG-CB 4.04Å; R35-K127 PolarHBondContact NE-O 2.88Å; R35-K127 PolarHBondContact NH2-O 3.45Å; R35-K127 VanDerWaalsContact NH2-O 3.12Å; A36-K127 PolarHBondContact O-N 3.18Å; A36-K127 VanDerWaalsContact O-N 3.11Å; I125-K127 PolarHBondContact O-N 3.01Å; K127-K211 WeakPolarHBondContact CA-O 2.96Å; K127-K211 HydrophobicContact CB-CB 4.48Å; K127-K211 HydrophobicContact CG-CB 4.23Å; K127-P212 WeakPolarHBondContact CG-O 3.41Å; K127-P212 PolarHBondContact NZ-O 3.31Å; K127-D214 IonicContact NZ-OD1 2.6Å; K127-D214 PolarHBondContact NZ-OD1 2.86Å
128P98.4Very high96.2Very high0 Ų046.7 Ų46.70%024%0.241CC..PPolyproline II helixtrans-54.6159.3179.2-21.330.8000111.4R35 W153 L161 A203 S213R35-P128 PolarHBondContact NH2-O 2.88Å; P128-W153 HydrophobicContact CB-CE3 3.97Å; P128-W153 HydrophobicContact CB-CZ3 4.15Å; P128-W153 HydrophobicContact CG-CE3 4Å; P128-W153 HydrophobicContact CG-CH2 4.21Å; P128-W153 HydrophobicContact CG-CZ3 3.72Å; P128-L161 HydrophobicContact CB-CD2 4.41Å; P128-L161 HydrophobicContact CG-CD2 3.77Å; P128-A203 HydrophobicContact CB-CB 4.27Å; P128-S213 WeakPolarHBondContact O-CA 3.3Å; P128-S213 WeakPolarHBondContact O-CB 3.34Å
129D98.5Very high95.7Very high44 Ų4447.2 Ų47.224%0.23525%0.253CS..PPolyproline II helixtrans-72.4163.8165.5-67.5-42.5000110.8R35 P150 S152 S213R35-D129 IonicContact CZ-OD1 3.45Å; R35-D129 IonicContact NH1-OD1 3.21Å; R35-D129 PolarHBondContact NH1-OD1 2.85Å; R35-D129 IonicContact NH2-OD1 2.84Å; D129-P150 HydrophobicContact CB-CB 4.03Å; D129-P150 WeakPolarHBondContact O-CG 3.41Å; D129-S152 WeakPolarHBondContact CB-OG 3.49Å; D129-S152 WeakPolarHBondContact OD2-CB 3.48Å; D129-S152 PolarHBondContact OD2-OG 2.81Å; D129-S213 VanDerWaalsContact O-CB 3.3Å; D129-S213 WeakPolarHBondContact O-CB 3.45Å
130P98.6Very high95.3Very high39 Ų3947.6 Ų47.625%0.25326%0.262SS..PPolyproline II helixtrans-63.2147.4178.6-21.934.2000111.9D214P130-D214 WeakPolarHBondContact CB-O 3.34Å; P130-D214 HydrophobicContact CG-CB 4.18Å; P130-D214 WeakPolarHBondContact CG-O 3.36Å
131P98.5Very high94.9Very high6 Ų653.1 Ų53.14%0.03929%0.288CS..PPolyproline II helixtrans-53.3146.5172-26.834.7000112.6W147 H148 Y163 V201 A203 S216P131-W147 HydrophobicContact CB-CB 4.31Å; P131-W147 HydrophobicContact CB-CG 4.34Å; P131-H148 WeakPolarHBondContact CA-O 3.3Å; P131-H148 WeakPolarHBondContact CB-O 3.37Å; P131-Y163 HydrophobicContact CG-CD1 3.8Å; P131-Y163 HydrophobicContact CG-CE1 3.93Å; P131-V201 HydrophobicContact CB-CB 4.23Å; P131-V201 HydrophobicContact CB-CG1 4.33Å; P131-V201 HydrophobicContact CG-CB 4.03Å; P131-V201 HydrophobicContact CG-CG1 3.86Å; P131-A203 HydrophobicContact CG-CB 3.93Å; P131-S216 VanDerWaalsContact O-CB 3.32Å; P131-S216 WeakPolarHBondContact O-CB 3.26Å
132E97.7Very high94.8Very high85 Ų8556.4 Ų56.440%0.39730%0.301SS..EExtended strand (participates in β ladder)trans-105.3163.7-175.7-68.5179.7-150.400112V134 H148 A151E132-V134 VanDerWaalsContact C-N 3.32Å; E132-V134 PolarHBondContact O-N 2.99Å; E132-H148 PolarHBondContact N-O 3.39Å; E132-H148 PolarHBondContact O-N 2.92Å; E132-A151 WeakPolarHBondContact OE1-CB 3.38Å; E132-A151 PolarHBondContact OE1-N 2.66Å
133S96.6Very high94.7Very high63 Ų6357.2 Ų57.244%0.44131%0.306SS..EExtended strand (participates in β ladder)trans51.646.2171.9-67.30000114R135S133-R135 WeakPolarHBondContact O-CG 3.22Å; S133-R135 PolarHBondContact O-N 3.1Å
134V98Very high94.7Very high12 Ų1260.2 Ų60.27%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-68.4111.6176.2-174.40000109.4E132 V145 L146 W147 V201 S216 G219 Q220E132-V134 VanDerWaalsContact C-N 3.32Å; E132-V134 PolarHBondContact O-N 2.99Å; V134-V145 HydrophobicContact CG1-CG1 4.03Å; V134-L146 CarbonylContact C-O 3.55Å; V134-L146 VanDerWaalsContact CA-O 3.3Å; V134-L146 WeakPolarHBondContact CA-O 3.18Å; V134-W147 HydrophobicContact CG2-CB 4.02Å; V134-V201 HydrophobicContact CG1-CG2 3.96Å; V134-V201 HydrophobicContact CG2-CB 4.41Å; V134-V201 HydrophobicContact CG2-CG2 3.95Å; V134-S216 WeakPolarHBondContact CG2-OG 3.36Å; V134-G219 CarbonylContact O-C 3.51Å; V134-G219 VanDerWaalsContact O-CA 3.23Å; V134-G219 WeakPolarHBondContact O-CA 3.24Å; V134-Q220 PolarHBondContact O-N 3.04Å
135R96.9Very high94.7Very high104 Ų10450.9 Ų50.939%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-115.3143.6-176.5-64.7176.1-152.5-140.72.7111.2S133 V145 L146 Q220 E222S133-R135 WeakPolarHBondContact O-CG 3.22Å; S133-R135 PolarHBondContact O-N 3.1Å; R135-V145 WeakPolarHBondContact O-CA 3.45Å; R135-L146 PolarHBondContact N-O 2.85Å; R135-L146 PolarHBondContact O-N 2.04Å; R135-Q220 CarbonylContact C-O 3.54Å; R135-Q220 WeakPolarHBondContact CA-O 3.24Å; R135-E222 IonicContact NH1-OE1 3.51Å
136L94.8Very high94.8Very high16 Ų1651.1 Ų51.18%0.08429%0.286CS..EExtended strand (participates in β ladder)trans-117.6119.5-179.5-51.9-179.4000109.8L143 Q144 V145 I199 Q220 E222L136-L143 HydrophobicContact CB-CD1 4.09Å; L136-Q144 WeakPolarHBondContact CA-O 3.43Å; L136-V145 HydrophobicContact CD2-CB 4.26Å; L136-V145 HydrophobicContact CD2-CG1 3.91Å; L136-V145 HydrophobicContact CD2-CG2 3.86Å; L136-I199 HydrophobicContact CD2-CB 4.14Å; L136-I199 HydrophobicContact CD2-CD1 3.89Å; L136-I199 HydrophobicContact CD2-CG1 4.29Å; L136-Q220 PolarHBondContact N-O 2.8Å; L136-E222 PolarHBondContact O-N 2.83Å
137R92.8Very high94.8Very high97 Ų9751.2 Ų51.237%0.36629%0.286SS..EExtended strand (participates in β ladder)trans-115.7118.8177.9-61.3179.4177.2-175.6-13.3110L143 Q144 L146 E222R137-L143 WeakPolarHBondContact O-CA 3.48Å; R137-Q144 HydrophobicContact CB-CB 4.26Å; R137-Q144 PolarHBondContact N-O 3.22Å; R137-Q144 PolarHBondContact O-N 2.86Å; R137-L146 HydrophobicContact CG-CD1 4.01Å; R137-E222 VanDerWaalsContact CD-OE2 3.31Å; R137-E222 WeakPolarHBondContact CD-OE2 3.5Å; R137-E222 HydrophobicContact CG-CB 4.18Å; R137-E222 VanDerWaalsContact CG-OE2 3.29Å; R137-E222 WeakPolarHBondContact CG-OE2 3.48Å; R137-E222 IonicContact CZ-OE1 3.65Å; R137-E222 IonicContact CZ-OE2 3.55Å; R137-E222 VanDerWaalsContact NE-CD 3.35Å; R137-E222 IonicContact NE-OE1 2.74Å; R137-E222 PolarHBondContact NE-OE1 2.83Å; R137-E222 IonicContact NE-OE2 2.73Å; R137-E222 PolarHBondContact NE-OE2 3.26Å; R137-E222 IonicContact NH2-OE1 2.82Å; R137-E222 PolarHBondContact NH2-OE1 3.37Å; R137-E222 IonicContact NH2-OE2 2.79Å; R137-E222 PolarHBondContact NH2-OE2 3.15Å
138A89.9Confident94.8Very high78 Ų7853.6 Ų53.665%0.64530%0.298SS*.EExtended strand (participates in β ladder)trans-84.3132.8176.500000110.4L143A138-L143 HydrophobicContact CB-CD1 4.38Å
139A85.8Confident94.8Very high63 Ų6355.3 Ų55.352%0.52131%0.309SS..EExtended strand (participates in β ladder)trans-13991.117500000108.9Q141 Q142A139-Q141 PolarHBondContact O-N 3.32Å; A139-Q141 VanDerWaalsContact O-N 3.15Å; A139-Q142 PolarHBondContact N-O 2.82Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.68Å
140G85.2Confident94.8Very high63 Ų6353.3 Ų53.365%0.64930%0.298SS*.THydrogen-bonded Turntrans60-115.3-176.300000112.7Q142G140-Q142 VanDerWaalsContact C-N 3.32Å
141Q88.9Confident94.7Very high129 Ų12955.4 Ų55.460%0.60332%0.319SS*.THydrogen-bonded Turntrans-9418.9176.3-66.9-176.2-14.100113.1A139 T190A139-Q141 PolarHBondContact O-N 3.32Å; A139-Q141 VanDerWaalsContact O-N 3.15Å; Q141-T190 VanDerWaalsContact C-OG1 3.22Å; Q141-T190 WeakPolarHBondContact CA-OG1 3.36Å; Q141-T190 PolarHBondContact O-N 2.04Å; Q141-T190 PolarHBondContact O-OG1 3.41Å
142Q91.6Very high94.6Very high95 Ų9556.9 Ų56.944%0.44433%0.329SS..EExtended strand (participates in β ladder)trans-123.3146.5177.4-60.8-1770.100110.4A139 G140 T187 L188A139-Q142 PolarHBondContact N-O 2.82Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.68Å; G140-Q142 VanDerWaalsContact C-N 3.32Å; Q142-T187 HydrophobicContact CB-CG2 4Å; Q142-T187 HydrophobicContact CG-CG2 4.27Å; Q142-L188 WeakPolarHBondContact CA-O 3.1Å
143L92.8Very high94.6Very high18 Ų1853.1 Ų53.19%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-122.8106.1172-174.468000107.8L136 R137 A138 L188 T190 Y197 I199L136-L143 HydrophobicContact CB-CD1 4.09Å; R137-L143 WeakPolarHBondContact O-CA 3.48Å; A138-L143 HydrophobicContact CB-CD1 4.38Å; L143-L188 HydrophobicContact CB-CB 4.35Å; L143-L188 PolarHBondContact N-O 3.05Å; L143-L188 PolarHBondContact O-N 2.83Å; L143-T190 HydrophobicContact CB-CG2 3.75Å; L143-Y197 HydrophobicContact CD2-CD2 3.89Å; L143-Y197 HydrophobicContact CD2-CG 4.3Å; L143-I199 HydrophobicContact CD2-CD1 3.72Å
144Q95.1Very high94.5Very high72 Ų7252.5 Ų52.534%0.33631%0.306SS..EExtended strand (participates in β ladder)trans-80.7128.2174.8-166.5-17734.800108.9L136 R137 L146L136-Q144 WeakPolarHBondContact CA-O 3.43Å; R137-Q144 HydrophobicContact CB-CB 4.26Å; R137-Q144 PolarHBondContact N-O 3.22Å; R137-Q144 PolarHBondContact O-N 2.86Å; Q144-L146 HydrophobicContact CB-CD1 4.29Å; Q144-L146 HydrophobicContact CG-CD1 3.76Å; Q144-L146 HydrophobicContact CG-CG 4.3Å
145V96.9Very high94.4Very high0 Ų056.3 Ų56.30%032%0.321CS..EExtended strand (participates in β ladder)trans-109.9123.7177.8-171.80000106.7V134 R135 L136 W147 T185 F186 I199V134-V145 HydrophobicContact CG1-CG1 4.03Å; R135-V145 WeakPolarHBondContact O-CA 3.45Å; L136-V145 HydrophobicContact CD2-CB 4.26Å; L136-V145 HydrophobicContact CD2-CG1 3.91Å; L136-V145 HydrophobicContact CD2-CG2 3.86Å; V145-W147 HydrophobicContact CB-CZ3 4.25Å; V145-W147 HydrophobicContact CG1-CE3 3.96Å; V145-W147 HydrophobicContact CG1-CZ3 4.01Å; V145-T185 CarbonylContact O-C 3.45Å; V145-T185 VanDerWaalsContact O-CA 3.26Å; V145-T185 WeakPolarHBondContact O-CA 3.3Å; V145-T185 PolarHBondContact O-OG1 3.29Å; V145-F186 HydrophobicContact CB-CB 4.44Å; V145-F186 WeakPolarHBondContact CB-O 3.4Å; V145-F186 HydrophobicContact CG2-CD1 4.23Å; V145-F186 PolarHBondContact N-O 2.79Å; V145-F186 PolarHBondContact O-N 3.01Å; V145-I199 HydrophobicContact CG1-CG2 3.97Å; V145-I199 HydrophobicContact CG2-CD1 3.7Å; V145-I199 HydrophobicContact CG2-CG2 4.27Å
146L97.8Very high94.3Very high41 Ų4153.1 Ų53.122%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-122.9145.2177.1-5791.9000108.8V134 R135 R137 Q144V134-L146 CarbonylContact C-O 3.55Å; V134-L146 VanDerWaalsContact CA-O 3.3Å; V134-L146 WeakPolarHBondContact CA-O 3.18Å; R135-L146 PolarHBondContact N-O 2.85Å; R135-L146 PolarHBondContact O-N 2.04Å; R137-L146 HydrophobicContact CG-CD1 4.01Å; Q144-L146 HydrophobicContact CB-CD1 4.29Å; Q144-L146 HydrophobicContact CG-CD1 3.76Å; Q144-L146 HydrophobicContact CG-CG 4.3Å
147W98.2Very high94.2Very high4 Ų459.6 Ų59.62%0.01535%0.349CS..EExtended strand (participates in β ladder)trans-144.7170.6175.358.191.4000110.6P131 V134 V145 Y163 V165 I181 A183 T184 F186 V201P131-W147 HydrophobicContact CB-CB 4.31Å; P131-W147 HydrophobicContact CB-CG 4.34Å; V134-W147 HydrophobicContact CG2-CB 4.02Å; V145-W147 HydrophobicContact CB-CZ3 4.25Å; V145-W147 HydrophobicContact CG1-CE3 3.96Å; V145-W147 HydrophobicContact CG1-CZ3 4.01Å; W147-Y163 AromaticContact CD1-CD1 3.95Å; W147-Y163 AromaticContact CD1-CE1 3.87Å; W147-Y163 AromaticContact CE2-CG 3.83Å; W147-Y163 HydrophobicContact CZ2-CD2 4.04Å; W147-Y163 AromaticContact CZ2-CG 3.93Å; W147-Y163 HydrophobicContact CZ2-CG 3.93Å; W147-Y163 AromaticContact NE1-CD1 3.3Å; W147-Y163 VanDerWaalsContact NE1-CD1 3.3Å; W147-Y163 AromaticContact NE1-CD2 3.41Å; W147-Y163 AromaticContact NE1-CE1 3.52Å; W147-Y163 AromaticContact NE1-CE2 3.65Å; W147-Y163 AromaticContact NE1-CG 3.25Å; W147-Y163 AromaticContact NE1-CZ 3.7Å; W147-V165 HydrophobicContact CH2-CG2 3.86Å; W147-V165 HydrophobicContact CZ3-CG2 4.05Å; W147-I181 HydrophobicContact CH2-CD1 4.38Å; W147-I181 HydrophobicContact CH2-CG2 4.43Å; W147-I181 HydrophobicContact CZ2-CG2 4.42Å; W147-A183 WeakPolarHBondContact CZ2-O 3.26Å; W147-T184 PolarHBondContact N-O 2.86Å; W147-T184 WeakPolarHBondContact O-CB 3.3Å; W147-F186 HydrophobicContact CH2-CB 3.73Å; W147-F186 HydrophobicContact CZ3-CB 3.74Å; W147-V201 HydrophobicContact CD2-CG1 3.95Å; W147-V201 HydrophobicContact CD2-CG2 4.1Å; W147-V201 HydrophobicContact CE3-CG1 4.43Å; W147-V201 HydrophobicContact CE3-CG2 3.95Å; W147-V201 HydrophobicContact CG-CG1 4.21Å; W147-V201 HydrophobicContact CG-CG2 4.38Å; W147-V201 HydrophobicContact CZ2-CG1 4.25Å
148H98Very high94.2Very high97 Ų9761 Ų6145%0.44936%0.363SS..EExtended strand (participates in β ladder)trans-115.4150.7171.7-64.671.5000109.5P131 E132P131-H148 WeakPolarHBondContact CA-O 3.3Å; P131-H148 WeakPolarHBondContact CB-O 3.37Å; E132-H148 PolarHBondContact N-O 3.39Å; E132-H148 PolarHBondContact O-N 2.92Å
149P98Very high94.5Very high35 Ų3558.9 Ų58.923%0.22734%0.339CS..  trans-53.2153.8164.4-20.531.7000110.6P156 L161 T184P149-P156 HydrophobicContact CB-CB 4.13Å; P149-P156 HydrophobicContact CB-CG 4.45Å; P149-P156 HydrophobicContact CG-CB 4.02Å; P149-P156 HydrophobicContact CG-CG 4.3Å; P149-L161 HydrophobicContact CB-CD1 4.45Å; P149-T184 HydrophobicContact CG-CG2 4.45Å
150P97.9Very high95Very high2 Ų258 Ų581%0.01333%0.329CS..  trans-60.9139.1175.8-15.428.9000110.4D129 S152 W153D129-P150 HydrophobicContact CB-CB 4.03Å; D129-P150 WeakPolarHBondContact O-CG 3.41Å; P150-S152 PolarHBondContact O-N 3.48Å; P150-S152 VanDerWaalsContact O-N 3.17Å; P150-W153 WeakPolarHBondContact O-CB 3.19Å; P150-W153 PolarHBondContact O-N 2.96Å
151A97.1Very high95.6Very high83 Ų8355.3 Ų55.369%0.68630%0.3SS*.THydrogen-bonded Turntrans-64-22.9179.200000112.5E132 W153E132-A151 WeakPolarHBondContact OE1-CB 3.38Å; E132-A151 PolarHBondContact OE1-N 2.66Å; A151-W153 PolarHBondContact O-N 3.34Å
152S96.9Very high96Very high37 Ų3750.3 Ų50.326%0.25928%0.276SS..THydrogen-bonded Turntrans-72.3-13.1173.4580000113.9R38 D129 P150 P154R38-S152 VanDerWaalsContact CA-O 3.26Å; R38-S152 WeakPolarHBondContact CA-O 3.29Å; R38-S152 WeakPolarHBondContact CB-O 3.26Å; D129-S152 WeakPolarHBondContact CB-OG 3.49Å; D129-S152 WeakPolarHBondContact OD2-CB 3.48Å; D129-S152 PolarHBondContact OD2-OG 2.81Å; P150-S152 PolarHBondContact O-N 3.48Å; P150-S152 VanDerWaalsContact O-N 3.17Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å
153W97.4Very high96.4Very high7 Ų746.1 Ų46.13%0.02726%0.256CS..  trans-92.7103.2178.3-163.1-97.6000110.3S37 Y39 I126 P128 P150 A151 F155 F159 L161S37-W153 VanDerWaalsContact O-CE3 3.29Å; Y39-W153 HydrophobicContact CD1-CH2 4.33Å; I126-W153 HydrophobicContact CG2-CH2 3.82Å; I126-W153 HydrophobicContact CG2-CZ3 4.12Å; P128-W153 HydrophobicContact CB-CE3 3.97Å; P128-W153 HydrophobicContact CB-CZ3 4.15Å; P128-W153 HydrophobicContact CG-CE3 4Å; P128-W153 HydrophobicContact CG-CH2 4.21Å; P128-W153 HydrophobicContact CG-CZ3 3.72Å; P150-W153 WeakPolarHBondContact O-CB 3.19Å; P150-W153 PolarHBondContact O-N 2.96Å; A151-W153 PolarHBondContact O-N 3.34Å; W153-F155 PolarHBondContact O-N 3Å; W153-F159 HydrophobicContact CZ2-CB 4Å; W153-F159 PolarHBondContact NE1-O 3.07Å; W153-L161 HydrophobicContact CB-CD1 4.36Å; W153-L161 HydrophobicContact CD2-CD1 4.18Å; W153-L161 HydrophobicContact CD2-CD2 4.02Å; W153-L161 HydrophobicContact CD2-CG 4.36Å; W153-L161 HydrophobicContact CE3-CD2 4.49Å; W153-L161 HydrophobicContact CG-CD1 3.86Å; W153-L161 HydrophobicContact CG-CG 4.36Å; W153-L161 HydrophobicContact CH2-CD2 4.22Å; W153-L161 HydrophobicContact CZ2-CD2 3.7Å; W153-L161 HydrophobicContact CZ2-CG 4.5Å
154P95.6Very high96.6Very high50 Ų5048.9 Ų48.933%0.32527%0.265SS..SBendtrans-75.8-28-160.627.6-34.1000114.3V41 S152V41-P154 HydrophobicContact CG2-CB 4.18Å; V41-P154 HydrophobicContact CG2-CG 3.65Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å
155F95.3Very high96.8Very high91 Ų9145.5 Ų45.540%0.39925%0.249SC..  trans-135.563.8-170.6-50.4-61.8000112V41 W153 D157 I158 F159V41-F155 HydrophobicContact CG2-CE2 3.66Å; V41-F155 HydrophobicContact CG2-CZ 4.27Å; W153-F155 PolarHBondContact O-N 3Å; F155-D157 PolarHBondContact O-N 3.42Å; F155-D157 VanDerWaalsContact O-N 3.16Å; F155-I158 HydrophobicContact CB-CB 4.27Å; F155-I158 HydrophobicContact CB-CD1 4.48Å; F155-I158 PolarHBondContact O-N 3.11Å; F155-I158 VanDerWaalsContact O-N 3.13Å; F155-F159 HydrophobicContact CB-CD2 4.08Å; F155-F159 HydrophobicContact CD2-CD2 4.43Å; F155-F159 PolarHBondContact O-N 3.31Å
156P94.1Very high96.9Very high38 Ų3848.1 Ų48.125%0.24726%0.259CS..THydrogen-bonded Turntrans-62.5-21.3-177.826.7-34.9000113.9P149 S160P149-P156 HydrophobicContact CB-CB 4.13Å; P149-P156 HydrophobicContact CB-CG 4.45Å; P149-P156 HydrophobicContact CG-CB 4.02Å; P149-P156 HydrophobicContact CG-CG 4.3Å; P156-S160 VanDerWaalsContact O-CA 3.29Å; P156-S160 WeakPolarHBondContact O-CA 3.3Å; P156-S160 PolarHBondContact O-OG 3.21Å
157D93.1Very high96.8Very high151 Ų15148 Ų4881%0.80726%0.256SS*.THydrogen-bonded Turntrans-82-20.2178.7-56-44.1000113.2F155F155-D157 PolarHBondContact O-N 3.42Å; F155-D157 VanDerWaalsContact O-N 3.16Å
158I93.8Very high96.7Very high128 Ų12852.2 Ų52.266%0.65627%0.272SS*.THydrogen-bonded Turntrans-105.4-46.2-179.7-55.7174.3000110.1F155F155-I158 HydrophobicContact CB-CB 4.27Å; F155-I158 HydrophobicContact CB-CD1 4.48Å; F155-I158 PolarHBondContact O-N 3.11Å; F155-I158 VanDerWaalsContact O-N 3.13Å
159F94.5Very high96.4Very high32 Ų3253.9 Ų53.914%0.1428%0.275CS..SBendtrans-10579.7174.1-63.8-86.9000107.9Y39 P40 L95 W153 F155Y39-F159 HydrophobicContact CD1-CD1 4.05Å; Y39-F159 HydrophobicContact CD1-CE1 4.38Å; Y39-F159 AromaticContact CE1-CD1 3.65Å; Y39-F159 HydrophobicContact CE1-CD1 3.65Å; Y39-F159 AromaticContact CE1-CE1 3.66Å; Y39-F159 HydrophobicContact CE1-CE1 3.66Å; P40-F159 HydrophobicContact CB-CZ 4.26Å; P40-F159 HydrophobicContact CG-CD2 4.16Å; P40-F159 HydrophobicContact CG-CE1 4.34Å; P40-F159 HydrophobicContact CG-CE2 3.54Å; P40-F159 HydrophobicContact CG-CZ 3.64Å; L95-F159 HydrophobicContact CD1-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CE1 3.95Å; L95-F159 HydrophobicContact CD2-CZ 3.86Å; W153-F159 HydrophobicContact CZ2-CB 4Å; W153-F159 PolarHBondContact NE1-O 3.07Å; F155-F159 HydrophobicContact CB-CD2 4.08Å; F155-F159 HydrophobicContact CD2-CD2 4.43Å; F155-F159 PolarHBondContact O-N 3.31Å
160S96.4Very high96.1Very high46 Ų4659.6 Ų59.632%0.32230%0.298SS..  trans-66146.7-172.8-56.60000112.9P156 L206P156-S160 VanDerWaalsContact O-CA 3.29Å; P156-S160 WeakPolarHBondContact O-CA 3.3Å; P156-S160 PolarHBondContact O-OG 3.21Å; S160-L206 WeakPolarHBondContact O-CB 3.09Å; S160-L206 PolarHBondContact O-N 3.17Å
161L98Very high95.6Very high6 Ų663.2 Ų63.23%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-107.3146.4174.9-63.6175.3000109.9P128 P149 W153 Y163 A203 Q204P128-L161 HydrophobicContact CB-CD2 4.41Å; P128-L161 HydrophobicContact CG-CD2 3.77Å; P149-L161 HydrophobicContact CB-CD1 4.45Å; W153-L161 HydrophobicContact CB-CD1 4.36Å; W153-L161 HydrophobicContact CD2-CD1 4.18Å; W153-L161 HydrophobicContact CD2-CD2 4.02Å; W153-L161 HydrophobicContact CD2-CG 4.36Å; W153-L161 HydrophobicContact CE3-CD2 4.49Å; W153-L161 HydrophobicContact CG-CD1 3.86Å; W153-L161 HydrophobicContact CG-CG 4.36Å; W153-L161 HydrophobicContact CH2-CD2 4.22Å; W153-L161 HydrophobicContact CZ2-CD2 3.7Å; W153-L161 HydrophobicContact CZ2-CG 4.5Å; L161-Y163 HydrophobicContact CB-CE1 4.25Å; L161-Y163 HydrophobicContact CB-CE2 4.27Å; L161-A203 HydrophobicContact CD1-CB 4.18Å; L161-Q204 CarbonylContact C-O 3.5Å; L161-Q204 VanDerWaalsContact CA-O 3.29Å; L161-Q204 WeakPolarHBondContact CA-O 3.47Å; L161-Q204 WeakPolarHBondContact CD2-O 3.28Å
162K98.2Very high95.4Very high23 Ų2361 Ų6110%0.132%0.317CS..EExtended strand (participates in β ladder)trans-109.8152.1163.464.8-171.9172-160.60110.6P180 I181 E182 A203 Q204 D205 L206 D208K162-P180 HydrophobicContact CB-CB 4.14Å; K162-P180 HydrophobicContact CD-CB 3.84Å; K162-P180 HydrophobicContact CG-CB 4.24Å; K162-I181 CarbonylContact C-O 3.51Å; K162-I181 WeakPolarHBondContact CA-O 3.44Å; K162-E182 HydrophobicContact CB-CG 4.44Å; K162-A203 CarbonylContact O-C 3.5Å; K162-Q204 HydrophobicContact CG-CB 4.25Å; K162-Q204 PolarHBondContact N-O 2.97Å; K162-Q204 PolarHBondContact O-N 2.81Å; K162-D205 WeakPolarHBondContact CE-O 3.21Å; K162-L206 HydrophobicContact CB-CD1 4.13Å; K162-L206 HydrophobicContact CD-CD1 4.23Å; K162-L206 PolarHBondContact NZ-O 3.19Å; K162-D208 WeakPolarHBondContact CE-OD1 3.39Å; K162-D208 IonicContact NZ-OD1 3.99Å; K162-D208 PolarHBondContact NZ-OD1 3.29Å; K162-D208 IonicContact NZ-OD2 3.19Å; K162-D208 PolarHBondContact NZ-OD2 3.01Å
163Y98.7Very high95.1Very high7 Ų763.5 Ų63.53%0.02734%0.335CS..EExtended strand (participates in β ladder)trans-121.2145.9-171-55.3-82.3000111.6P131 W147 L161 P180 I181 A183 T184 V201 S202 A203P131-Y163 HydrophobicContact CG-CD1 3.8Å; P131-Y163 HydrophobicContact CG-CE1 3.93Å; W147-Y163 AromaticContact CD1-CD1 3.95Å; W147-Y163 AromaticContact CD1-CE1 3.87Å; W147-Y163 AromaticContact CE2-CG 3.83Å; W147-Y163 HydrophobicContact CZ2-CD2 4.04Å; W147-Y163 AromaticContact CZ2-CG 3.93Å; W147-Y163 HydrophobicContact CZ2-CG 3.93Å; W147-Y163 AromaticContact NE1-CD1 3.3Å; W147-Y163 VanDerWaalsContact NE1-CD1 3.3Å; W147-Y163 AromaticContact NE1-CD2 3.41Å; W147-Y163 AromaticContact NE1-CE1 3.52Å; W147-Y163 AromaticContact NE1-CE2 3.65Å; W147-Y163 AromaticContact NE1-CG 3.25Å; W147-Y163 AromaticContact NE1-CZ 3.7Å; L161-Y163 HydrophobicContact CB-CE1 4.25Å; L161-Y163 HydrophobicContact CB-CE2 4.27Å; Y163-P180 CarbonylContact O-C 3.59Å; Y163-P180 WeakPolarHBondContact O-CA 3.5Å; Y163-I181 WeakPolarHBondContact CD2-O 3.4Å; Y163-I181 PolarHBondContact N-O 3.33Å; Y163-I181 PolarHBondContact O-N 2.76Å; Y163-A183 WeakPolarHBondContact CD2-O 3.37Å; Y163-T184 HydrophobicContact CE2-CG2 4.29Å; Y163-V201 HydrophobicContact CD1-CG1 4.14Å; Y163-V201 HydrophobicContact CG-CG1 4.39Å; Y163-S202 CarbonylContact C-O 3.55Å; Y163-S202 VanDerWaalsContact CA-O 3.25Å; Y163-S202 WeakPolarHBondContact CA-O 3.15Å; Y163-A203 HydrophobicContact CD1-CB 4Å; Y163-A203 HydrophobicContact CE1-CB 3.88Å
164R98.5Very high95Very high77 Ų7770.4 Ų70.429%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-114.8138.3164.9-68.9178.3-65.71488.8108.3V178 V201 S202 W215R164-V178 WeakPolarHBondContact CA-O 3.28Å; R164-V201 CarbonylContact O-C 3.58Å; R164-V201 WeakPolarHBondContact O-CA 3.26Å; R164-S202 PolarHBondContact N-O 2.76Å; R164-S202 PolarHBondContact O-N 2.84Å; R164-W215 HydrophobicContact CB-CH2 4.04Å; R164-W215 HydrophobicContact CB-CZ3 4.33Å; R164-W215 WeakPolarHBondContact O-CZ3 3.19Å
165V98.6Very high95.1Very high0 Ų070.9 Ų70.90%036%0.364CS..EExtended strand (participates in β ladder)trans-111.6130.9176.2179.60000107.9W147 Q177 V178 I181 F186 I199 Q200 V201W147-V165 HydrophobicContact CH2-CG2 3.86Å; W147-V165 HydrophobicContact CZ3-CG2 4.05Å; V165-Q177 CarbonylContact O-C 3.53Å; V165-Q177 VanDerWaalsContact O-CA 3.3Å; V165-Q177 WeakPolarHBondContact O-CA 3.4Å; V165-V178 HydrophobicContact CB-CG2 3.74Å; V165-V178 HydrophobicContact CG1-CG2 4.44Å; V165-V178 PolarHBondContact N-O 2.93Å; V165-V178 PolarHBondContact O-N 3.42Å; V165-I181 HydrophobicContact CG2-CD1 3.98Å; V165-F186 HydrophobicContact CG1-CD1 4.29Å; V165-F186 HydrophobicContact CG2-CB 4.42Å; V165-I199 HydrophobicContact CG1-CG2 3.59Å; V165-Q200 WeakPolarHBondContact CA-O 3.06Å; V165-V201 HydrophobicContact CG2-CG1 4.22Å; V165-V201 HydrophobicContact CG2-CG2 4.27Å
166R98.1Very high95.1Very high55 Ų5574.9 Ų74.921%0.20838%0.377CS..EExtended strand (participates in β ladder)trans-112136.7166.774.5175.1-176.2-172-0.4110.2F175 R176 Q177 I199 Q200 W215R166-F175 HydrophobicContact CB-CB 4.23Å; R166-F175 HydrophobicContact CB-CD1 3.93Å; R166-F175 HydrophobicContact CB-CG 4.36Å; R166-F175 HydrophobicContact CG-CD1 3.65Å; R166-F175 HydrophobicContact CG-CE1 4Å; R166-F175 HydrophobicContact CG-CG 4.22Å; R166-R176 CarbonylContact C-O 3.56Å; R166-R176 WeakPolarHBondContact CA-O 3.39Å; R166-Q177 HydrophobicContact CB-CG 3.92Å; R166-I199 CarbonylContact O-C 3.56Å; R166-I199 WeakPolarHBondContact O-CA 3.49Å; R166-Q200 HydrophobicContact CG-CB 3.96Å; R166-Q200 PolarHBondContact N-O 3.36Å; R166-Q200 PolarHBondContact O-N 3.44Å; R166-W215 HydrophobicContact CB-CE3 4.22Å; R166-W215 HydrophobicContact CB-CH2 3.79Å; R166-W215 HydrophobicContact CB-CZ2 4.28Å; R166-W215 HydrophobicContact CB-CZ3 3.75Å; R166-W215 HydrophobicContact CG-CD2 3.93Å; R166-W215 HydrophobicContact CG-CE3 3.62Å; R166-W215 HydrophobicContact CG-CH2 4.07Å; R166-W215 HydrophobicContact CG-CZ2 4.35Å; R166-W215 HydrophobicContact CG-CZ3 3.69Å
167Y96.4Very high95.3Very high40 Ų4078.3 Ų78.316%0.15739%0.389CS..EExtended strand (participates in β ladder)trans-141.1150.3178.666.7-81.6000112.5F175 R176 V178 L188 Y197 C198Y167-F175 WeakPolarHBondContact O-CA 3.39Å; Y167-R176 HydrophobicContact CD1-CB 4.33Å; Y167-R176 HydrophobicContact CE1-CB 3.83Å; Y167-R176 HydrophobicContact CE2-CB 4.13Å; Y167-R176 PolarHBondContact N-O 2.92Å; Y167-R176 PolarHBondContact O-N 3.33Å; Y167-V178 HydrophobicContact CE1-CG1 4.04Å; Y167-L188 HydrophobicContact CD2-CD1 4.05Å; Y167-L188 HydrophobicContact CD2-CD2 3.73Å; Y167-L188 HydrophobicContact CE1-CD1 4.22Å; Y167-L188 HydrophobicContact CE2-CD1 3.56Å; Y167-L188 HydrophobicContact CE2-CD2 4.06Å; Y167-L188 HydrophobicContact CE2-CG 4.49Å; Y167-L188 HydrophobicContact CG-CD2 4.2Å; Y167-Y197 HydrophobicContact CD2-CD1 4.23Å; Y167-Y197 HydrophobicContact CD2-CE1 4.38Å; Y167-C198 CarbonylContact C-O 3.55Å; Y167-C198 VanDerWaalsContact CA-O 3.27Å; Y167-C198 WeakPolarHBondContact CA-O 3.06Å
168R95.4Very high95.5Very high91 Ų9173.1 Ų73.134%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-145.6147.7168.167.3-179.6-179.8146.8-5.3110.5A172 H174 F175 Y197 C198R168-A172 HydrophobicContact CB-CB 4.36Å; R168-A172 PolarHBondContact NH1-O 3.12Å; R168-H174 WeakPolarHBondContact CB-O 3.28Å; R168-F175 HydrophobicContact CB-CD1 4.06Å; R168-F175 HydrophobicContact CB-CE1 4.34Å; R168-F175 HydrophobicContact CB-CG 4.33Å; R168-F175 HydrophobicContact CG-CD1 3.94Å; R168-F175 HydrophobicContact CG-CD2 4.46Å; R168-F175 HydrophobicContact CG-CE1 3.73Å; R168-F175 HydrophobicContact CG-CE2 4.27Å; R168-F175 HydrophobicContact CG-CG 4.31Å; R168-F175 HydrophobicContact CG-CZ 3.91Å; R168-Y197 CarbonylContact O-C 3.55Å; R168-Y197 WeakPolarHBondContact O-CA 3.31Å; R168-C198 HydrophobicContact CG-CB 4.13Å; R168-C198 PolarHBondContact N-O 3.5Å; R168-C198 PolarHBondContact O-N 3.14Å
169R92.9Very high95.6Very high133 Ų13369.1 Ų69.150%0.50235%0.353SS..EExtended strand (participates in β ladder)trans-69.7148.7170.1-166.1173.871.8-161.92.4109.3G171 A172 Y197R169-G171 PolarHBondContact O-N 3.16Å; R169-A172 VanDerWaalsContact O-CB 3.29Å; R169-A172 WeakPolarHBondContact O-CB 3.35Å; R169-A172 PolarHBondContact O-N 2.75Å; R169-Y197 HydrophobicContact CB-CD1 4.27Å; R169-Y197 HydrophobicContact CB-CE1 4Å; R169-Y197 HydrophobicContact CG-CE1 4.42Å
170H90.3Very high95.7Very high154 Ų15472 Ų7271%0.71338%0.376SS*.THydrogen-bonded Turntrans-54.1133.3170.3-170.2-97.7000110.5A172 K196H170-A172 VanDerWaalsContact C-N 3.33Å; H170-K196 HydrophobicContact CB-CB 4.11Å; H170-K196 PolarHBondContact N-O 3.35Å
171G88.3Confident95.8Very high79 Ų7971.2 Ų71.281%0.81437%0.367SS*.THydrogen-bonded Turntrans83.6-7.7-174.300000115.8R169R169-G171 PolarHBondContact O-N 3.16Å
172A92.5Very high95.7Very high36 Ų3677.7 Ų77.730%0.29840%0.397SS..  trans-81.7141172.600000111.4R168 R169 H170R168-A172 HydrophobicContact CB-CB 4.36Å; R168-A172 PolarHBondContact NH1-O 3.12Å; R169-A172 VanDerWaalsContact O-CB 3.29Å; R169-A172 WeakPolarHBondContact O-CB 3.35Å; R169-A172 PolarHBondContact O-N 2.75Å; H170-A172 VanDerWaalsContact C-N 3.33Å
173S91.5Very high95.7Very high90 Ų9078.8 Ų78.863%0.62941%0.411SS*.SBendtrans-75.4-37.6179.550.30000113.1
174H94.6Very high95.6Very high151 Ų15181.5 Ų81.570%0.69943%0.428SS*.SBendtrans-111.3145.8-171.9-56.1-71.5000113.3R168R168-H174 WeakPolarHBondContact CB-O 3.28Å
175F97.3Very high95.6Very high60 Ų6080.3 Ų80.326%0.26343%0.429SS..  trans-82.7136.8168.4-78.8-89000110.9R166 Y167 R168 C198R166-F175 HydrophobicContact CB-CB 4.23Å; R166-F175 HydrophobicContact CB-CD1 3.93Å; R166-F175 HydrophobicContact CB-CG 4.36Å; R166-F175 HydrophobicContact CG-CD1 3.65Å; R166-F175 HydrophobicContact CG-CE1 4Å; R166-F175 HydrophobicContact CG-CG 4.22Å; Y167-F175 WeakPolarHBondContact O-CA 3.39Å; R168-F175 HydrophobicContact CB-CD1 4.06Å; R168-F175 HydrophobicContact CB-CE1 4.34Å; R168-F175 HydrophobicContact CB-CG 4.33Å; R168-F175 HydrophobicContact CG-CD1 3.94Å; R168-F175 HydrophobicContact CG-CD2 4.46Å; R168-F175 HydrophobicContact CG-CE1 3.73Å; R168-F175 HydrophobicContact CG-CE2 4.27Å; R168-F175 HydrophobicContact CG-CG 4.31Å; R168-F175 HydrophobicContact CG-CZ 3.91Å; F175-C198 HydrophobicContact CE1-CB 4.49Å
176R96.8Very high95.5Very high175 Ų17582.3 Ų82.366%0.6644%0.438SS*.EExtended strand (participates in β ladder)trans-88.5150.5161.3-64.3178.5-176.9-106.7-1.1108.6R166 Y167R166-R176 CarbonylContact C-O 3.56Å; R166-R176 WeakPolarHBondContact CA-O 3.39Å; Y167-R176 HydrophobicContact CD1-CB 4.33Å; Y167-R176 HydrophobicContact CE1-CB 3.83Å; Y167-R176 HydrophobicContact CE2-CB 4.13Å; Y167-R176 PolarHBondContact N-O 2.92Å; Y167-R176 PolarHBondContact O-N 3.33Å
177Q97.6Very high95.4Very high110 Ų11082.7 Ų82.751%0.51445%0.447SS..EExtended strand (participates in β ladder)trans-125.3145.6178.7-62-170.921.700110.7V165 R166V165-Q177 CarbonylContact O-C 3.53Å; V165-Q177 VanDerWaalsContact O-CA 3.3Å; V165-Q177 WeakPolarHBondContact O-CA 3.4Å; R166-Q177 HydrophobicContact CB-CG 3.92Å
178V97.4Very high95.3Very high43 Ų4381.3 Ų81.326%0.26144%0.442SS..EExtended strand (participates in β ladder)trans-138.7156.1174.8-64.60000110.1R164 V165 Y167 I181 F186R164-V178 WeakPolarHBondContact CA-O 3.28Å; V165-V178 HydrophobicContact CB-CG2 3.74Å; V165-V178 HydrophobicContact CG1-CG2 4.44Å; V165-V178 PolarHBondContact N-O 2.93Å; V165-V178 PolarHBondContact O-N 3.42Å; Y167-V178 HydrophobicContact CE1-CG1 4.04Å; V178-I181 HydrophobicContact CG2-CD1 4.38Å; V178-F186 HydrophobicContact CB-CZ 4.5Å; V178-F186 HydrophobicContact CG1-CZ 4.44Å; V178-F186 HydrophobicContact CG2-CD2 4.4Å; V178-F186 HydrophobicContact CG2-CE1 4.02Å; V178-F186 HydrophobicContact CG2-CE2 3.9Å; V178-F186 HydrophobicContact CG2-CZ 3.7Å
179G95.3Very high95.1Very high43 Ų4387 Ų8744%0.44346%0.464SS..EExtended strand (participates in β ladder)trans123.4-177.5-17800000112.2
180P96.9Very high94.8Very high94 Ų9481.4 Ų81.461%0.6144%0.444SS*.EExtended strand (participates in β ladder)cis-66.1149.4528.4-35000113.5K162 Y163K162-P180 HydrophobicContact CB-CB 4.14Å; K162-P180 HydrophobicContact CD-CB 3.84Å; K162-P180 HydrophobicContact CG-CB 4.24Å; Y163-P180 CarbonylContact O-C 3.59Å; Y163-P180 WeakPolarHBondContact O-CA 3.5Å
181I98Very high94.3Very high28 Ų2879 Ų7914%0.14444%0.44CS..EExtended strand (participates in β ladder)trans-125.5125.2177.1-54.2178.9000107W147 K162 Y163 V165 V178 A183 F186W147-I181 HydrophobicContact CH2-CD1 4.38Å; W147-I181 HydrophobicContact CH2-CG2 4.43Å; W147-I181 HydrophobicContact CZ2-CG2 4.42Å; K162-I181 CarbonylContact C-O 3.51Å; K162-I181 WeakPolarHBondContact CA-O 3.44Å; Y163-I181 WeakPolarHBondContact CD2-O 3.4Å; Y163-I181 PolarHBondContact N-O 3.33Å; Y163-I181 PolarHBondContact O-N 2.76Å; V165-I181 HydrophobicContact CG2-CD1 3.98Å; V178-I181 HydrophobicContact CG2-CD1 4.38Å; I181-A183 HydrophobicContact CG2-CB 4.18Å; I181-F186 HydrophobicContact CD1-CB 3.95Å; I181-F186 HydrophobicContact CD1-CD2 3.65Å; I181-F186 HydrophobicContact CD1-CE2 4.46Å; I181-F186 HydrophobicContact CD1-CG 3.97Å
182E97Very high93.8Very high142 Ų14281.8 Ų81.866%0.66443%0.43SS*.  trans-91.4-13.6179-65.9177-157.900112.7K162 L206K162-E182 HydrophobicContact CB-CG 4.44Å; E182-L206 HydrophobicContact CG-CD1 3.93Å
183A97.1Very high93Very high47 Ų4783.6 Ų83.639%0.38844%0.439SS..SBendtrans-83162.117200000112.3W147 Y163 I181 T185W147-A183 WeakPolarHBondContact CZ2-O 3.26Å; Y163-A183 WeakPolarHBondContact CD2-O 3.37Å; I181-A183 HydrophobicContact CG2-CB 4.18Å; A183-T185 VanDerWaalsContact C-N 3.25Å; A183-T185 HydrophobicContact CB-CG2 4.22Å; A183-T185 PolarHBondContact O-N 3.42Å
184T97.6Very high92.2Very high63 Ų6387.6 Ų87.639%0.38745%0.447SS..SBendtrans-91.519.4173.251.80000113.4W147 P149 Y163W147-T184 PolarHBondContact N-O 2.86Å; W147-T184 WeakPolarHBondContact O-CB 3.3Å; P149-T184 HydrophobicContact CG-CG2 4.45Å; Y163-T184 HydrophobicContact CE2-CG2 4.29Å
185T97.4Very high91.7Very high52 Ų5281.8 Ų81.832%0.31943%0.425SS..EExtended strand (participates in β ladder)trans-142.4147.3-177.9-172.80000111.4V145 A183V145-T185 CarbonylContact O-C 3.45Å; V145-T185 VanDerWaalsContact O-CA 3.26Å; V145-T185 WeakPolarHBondContact O-CA 3.3Å; V145-T185 PolarHBondContact O-OG1 3.29Å; A183-T185 VanDerWaalsContact C-N 3.25Å; A183-T185 HydrophobicContact CB-CG2 4.22Å; A183-T185 PolarHBondContact O-N 3.42Å
186F97.1Very high91.3Very high42 Ų4286.7 Ų86.718%0.18445%0.446CS..EExtended strand (participates in β ladder)trans-147136.1175.5171.1-108.1000110.4V145 W147 V165 V178 I181 L188V145-F186 HydrophobicContact CB-CB 4.44Å; V145-F186 WeakPolarHBondContact CB-O 3.4Å; V145-F186 HydrophobicContact CG2-CD1 4.23Å; V145-F186 PolarHBondContact N-O 2.79Å; V145-F186 PolarHBondContact O-N 3.01Å; W147-F186 HydrophobicContact CH2-CB 3.73Å; W147-F186 HydrophobicContact CZ3-CB 3.74Å; V165-F186 HydrophobicContact CG1-CD1 4.29Å; V165-F186 HydrophobicContact CG2-CB 4.42Å; V178-F186 HydrophobicContact CB-CZ 4.5Å; V178-F186 HydrophobicContact CG1-CZ 4.44Å; V178-F186 HydrophobicContact CG2-CD2 4.4Å; V178-F186 HydrophobicContact CG2-CE1 4.02Å; V178-F186 HydrophobicContact CG2-CE2 3.9Å; V178-F186 HydrophobicContact CG2-CZ 3.7Å; I181-F186 HydrophobicContact CD1-CB 3.95Å; I181-F186 HydrophobicContact CD1-CD2 3.65Å; I181-F186 HydrophobicContact CD1-CE2 4.46Å; I181-F186 HydrophobicContact CD1-CG 3.97Å; F186-L188 HydrophobicContact CE1-CB 3.88Å; F186-L188 HydrophobicContact CE1-CD1 4.34Å
187T95.8Very high91.1Very high64 Ų6480.2 Ų80.239%0.39342%0.422SS..EExtended strand (participates in β ladder)trans-107.4115.4178.3-590000110.6Q142Q142-T187 HydrophobicContact CB-CG2 4Å; Q142-T187 HydrophobicContact CG-CG2 4.27Å
188L93.9Very high91Very high11 Ų1176.5 Ų76.56%0.05841%0.408CS..EExtended strand (participates in β ladder)trans-92.6123.7173.6179.564.6000110.1Q142 L143 Y167 F186 Y197 I199Q142-L188 WeakPolarHBondContact CA-O 3.1Å; L143-L188 HydrophobicContact CB-CB 4.35Å; L143-L188 PolarHBondContact N-O 3.05Å; L143-L188 PolarHBondContact O-N 2.83Å; Y167-L188 HydrophobicContact CD2-CD1 4.05Å; Y167-L188 HydrophobicContact CD2-CD2 3.73Å; Y167-L188 HydrophobicContact CE1-CD1 4.22Å; Y167-L188 HydrophobicContact CE2-CD1 3.56Å; Y167-L188 HydrophobicContact CE2-CD2 4.06Å; Y167-L188 HydrophobicContact CE2-CG 4.49Å; Y167-L188 HydrophobicContact CG-CD2 4.2Å; F186-L188 HydrophobicContact CE1-CB 3.88Å; F186-L188 HydrophobicContact CE1-CD1 4.34Å; L188-Y197 HydrophobicContact CD2-CD1 3.91Å; L188-Y197 HydrophobicContact CD2-CD2 4.45Å; L188-Y197 HydrophobicContact CD2-CE1 3.91Å; L188-Y197 HydrophobicContact CD2-CE2 4.45Å; L188-Y197 HydrophobicContact CD2-CG 4.2Å; L188-I199 HydrophobicContact CD2-CD1 4.19Å
189R91.8Very high91Very high211 Ų21174.5 Ų74.580%0.79640%0.396SS*.EExtended strand (participates in β ladder)trans-73.9126.4168.7-65.7-174.7-177.4-178.31109.7
190T86.3Confident91.1Very high14 Ų1473.5 Ų73.59%0.08638%0.38CS..PPolyproline II helixtrans-101.9136.9-179.269.20000110.2Q141 L143 K192 Y197Q141-T190 VanDerWaalsContact C-OG1 3.22Å; Q141-T190 WeakPolarHBondContact CA-OG1 3.36Å; Q141-T190 PolarHBondContact O-N 2.04Å; Q141-T190 PolarHBondContact O-OG1 3.41Å; L143-T190 HydrophobicContact CB-CG2 3.75Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 2.88Å; T190-K192 PolarHBondContact OG1-O 2.7Å; T190-Y197 HydrophobicContact CG2-CE2 3.76Å
191T79.7Confident91.2Very high104 Ų10469 Ų6964%0.63835%0.351SS*.SBendtrans-74.6-21.1178.358.40000112.9
192K79.6Confident91.2Very high138 Ų13867.8 Ų67.860%0.634%0.344SS*.SBendtrans-139.3133.6-179.3-67.1-173.4179-1730108.7T190 H194 A195T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 2.88Å; T190-K192 PolarHBondContact OG1-O 2.7Å; K192-H194 PolarHBondContact O-N 2.8Å; K192-A195 HydrophobicContact CB-CB 4.37Å; K192-A195 WeakPolarHBondContact O-CB 3.42Å; K192-A195 PolarHBondContact O-N 2.86Å
193P74Confident91.3Very high73 Ų7361 Ų6147%0.47431%0.313SS..THydrogen-bonded Turntrans-52.4140.5167.5-23.433.5000110.1A195P193-A195 PolarHBondContact O-N 3.46Å; P193-A195 VanDerWaalsContact O-N 3.17Å
194H75.1Confident91.4Very high175 Ų17560.1 Ų60.181%0.8130%0.301SS*.THydrogen-bonded Turntrans64.512.8176.9-45.788.9000116.4K192 K196K192-H194 PolarHBondContact O-N 2.8Å; H194-K196 PolarHBondContact O-N 2.85Å
195A83.6Confident91.3Very high28 Ų2857.4 Ų57.423%0.23128%0.283CS..  trans-60.7128.7171.200000110.7K192 P193 Y197K192-A195 HydrophobicContact CB-CB 4.37Å; K192-A195 WeakPolarHBondContact O-CB 3.42Å; K192-A195 PolarHBondContact O-N 2.86Å; P193-A195 PolarHBondContact O-N 3.46Å; P193-A195 VanDerWaalsContact O-N 3.17Å; A195-Y197 HydrophobicContact CB-CD2 4.45Å; A195-Y197 HydrophobicContact CB-CE2 3.69Å; A195-Y197 WeakPolarHBondContact O-CD2 3.46Å; A195-Y197 WeakPolarHBondContact O-CE2 3.35Å
196K89.1Confident91.3Very high164 Ų16457.7 Ų57.771%0.71328%0.283SS*.  trans-80.1130.2178.4-65.3-176.3179.7-179.40110.7H170 H194H170-K196 HydrophobicContact CB-CB 4.11Å; H170-K196 PolarHBondContact N-O 3.35Å; H194-K196 PolarHBondContact O-N 2.85Å
197Y92.8Very high91.1Very high38 Ų3859.8 Ų59.815%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-121.4145.9176.5-69.6-92.4000110.9L143 Y167 R168 R169 L188 T190 A195L143-Y197 HydrophobicContact CD2-CD2 3.89Å; L143-Y197 HydrophobicContact CD2-CG 4.3Å; Y167-Y197 HydrophobicContact CD2-CD1 4.23Å; Y167-Y197 HydrophobicContact CD2-CE1 4.38Å; R168-Y197 CarbonylContact O-C 3.55Å; R168-Y197 WeakPolarHBondContact O-CA 3.31Å; R169-Y197 HydrophobicContact CB-CD1 4.27Å; R169-Y197 HydrophobicContact CB-CE1 4Å; R169-Y197 HydrophobicContact CG-CE1 4.42Å; L188-Y197 HydrophobicContact CD2-CD1 3.91Å; L188-Y197 HydrophobicContact CD2-CD2 4.45Å; L188-Y197 HydrophobicContact CD2-CE1 3.91Å; L188-Y197 HydrophobicContact CD2-CE2 4.45Å; L188-Y197 HydrophobicContact CD2-CG 4.2Å; T190-Y197 HydrophobicContact CG2-CE2 3.76Å; A195-Y197 HydrophobicContact CB-CD2 4.45Å; A195-Y197 HydrophobicContact CB-CE2 3.69Å; A195-Y197 WeakPolarHBondContact O-CD2 3.46Å; A195-Y197 WeakPolarHBondContact O-CE2 3.35Å
198C95.5Very high91.1Very high33 Ų3361.2 Ų61.222%0.22330%0.304CS..EExtended strand (participates in β ladder)trans-99118.7161.5177.90000106.9Y167 R168 F175Y167-C198 CarbonylContact C-O 3.55Å; Y167-C198 VanDerWaalsContact CA-O 3.27Å; Y167-C198 WeakPolarHBondContact CA-O 3.06Å; R168-C198 HydrophobicContact CG-CB 4.13Å; R168-C198 PolarHBondContact N-O 3.5Å; R168-C198 PolarHBondContact O-N 3.14Å; F175-C198 HydrophobicContact CE1-CB 4.49Å
199I97.3Very high91.1Very high1 Ų166.2 Ų66.21%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-126.6134.3-176.4-54-166000108.7L136 L143 V145 V165 R166 L188 P218 G219L136-I199 HydrophobicContact CD2-CB 4.14Å; L136-I199 HydrophobicContact CD2-CD1 3.89Å; L136-I199 HydrophobicContact CD2-CG1 4.29Å; L143-I199 HydrophobicContact CD2-CD1 3.72Å; V145-I199 HydrophobicContact CG1-CG2 3.97Å; V145-I199 HydrophobicContact CG2-CD1 3.7Å; V145-I199 HydrophobicContact CG2-CG2 4.27Å; V165-I199 HydrophobicContact CG1-CG2 3.59Å; R166-I199 CarbonylContact O-C 3.56Å; R166-I199 WeakPolarHBondContact O-CA 3.49Å; L188-I199 HydrophobicContact CD2-CD1 4.19Å; I199-P218 CarbonylContact O-C 3.54Å; I199-P218 WeakPolarHBondContact O-CA 3.22Å; I199-G219 PolarHBondContact O-N 3.29Å
200Q98.3Very high91.2Very high22 Ų2257.5 Ų57.510%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-136.6151.4176.1-65.1172.3-73.200109.5V165 R166 W215 S216 P218V165-Q200 WeakPolarHBondContact CA-O 3.06Å; R166-Q200 HydrophobicContact CG-CB 3.96Å; R166-Q200 PolarHBondContact N-O 3.36Å; R166-Q200 PolarHBondContact O-N 3.44Å; Q200-W215 HydrophobicContact CB-CB 4.15Å; Q200-W215 HydrophobicContact CB-CE3 4.28Å; Q200-S216 VanDerWaalsContact CG-O 3.31Å; Q200-S216 WeakPolarHBondContact CG-O 3.27Å; Q200-S216 PolarHBondContact NE2-O 3.08Å; Q200-P218 HydrophobicContact CG-CG 4.39Å
201V98.8Very high91.7Very high0 Ų063.5 Ų63.50%032%0.324CS..EExtended strand (participates in β ladder)trans-122144.2-177-1650000109P131 V134 W147 Y163 R164 V165 S216P131-V201 HydrophobicContact CB-CB 4.23Å; P131-V201 HydrophobicContact CB-CG1 4.33Å; P131-V201 HydrophobicContact CG-CB 4.03Å; P131-V201 HydrophobicContact CG-CG1 3.86Å; V134-V201 HydrophobicContact CG1-CG2 3.96Å; V134-V201 HydrophobicContact CG2-CB 4.41Å; V134-V201 HydrophobicContact CG2-CG2 3.95Å; W147-V201 HydrophobicContact CD2-CG1 3.95Å; W147-V201 HydrophobicContact CD2-CG2 4.1Å; W147-V201 HydrophobicContact CE3-CG1 4.43Å; W147-V201 HydrophobicContact CE3-CG2 3.95Å; W147-V201 HydrophobicContact CG-CG1 4.21Å; W147-V201 HydrophobicContact CG-CG2 4.38Å; W147-V201 HydrophobicContact CZ2-CG1 4.25Å; Y163-V201 HydrophobicContact CD1-CG1 4.14Å; Y163-V201 HydrophobicContact CG-CG1 4.39Å; R164-V201 CarbonylContact O-C 3.58Å; R164-V201 WeakPolarHBondContact O-CA 3.26Å; V165-V201 HydrophobicContact CG2-CG1 4.22Å; V165-V201 HydrophobicContact CG2-CG2 4.27Å; V201-S216 PolarHBondContact N-OG 3.34Å; V201-S216 WeakPolarHBondContact O-CB 3.5Å; V201-S216 PolarHBondContact O-N 3.46Å; V201-S216 PolarHBondContact O-OG 3.42Å
202S98.7Very high92.6Very high1 Ų160.3 Ų60.31%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-125.9135.4173.6166.20000108.1Y163 R164 S213Y163-S202 CarbonylContact C-O 3.55Å; Y163-S202 VanDerWaalsContact CA-O 3.25Å; Y163-S202 WeakPolarHBondContact CA-O 3.15Å; R164-S202 PolarHBondContact N-O 2.76Å; R164-S202 PolarHBondContact O-N 2.84Å; S202-S213 WeakPolarHBondContact CA-OG 3.44Å; S202-S213 PolarHBondContact OG-O 2.76Å; S202-S213 PolarHBondContact OG-OG 3.34Å
203A98.6Very high93.5Very high0 Ų054 Ų540%028%0.278CS..EExtended strand (participates in β ladder)trans-94152.6175.200000110.8P128 P131 L161 K162 Y163 P212 S213P128-A203 HydrophobicContact CB-CB 4.27Å; P131-A203 HydrophobicContact CG-CB 3.93Å; L161-A203 HydrophobicContact CD1-CB 4.18Å; K162-A203 CarbonylContact O-C 3.5Å; Y163-A203 HydrophobicContact CD1-CB 4Å; Y163-A203 HydrophobicContact CE1-CB 3.88Å; A203-P212 CarbonylContact O-C 3.55Å; A203-P212 WeakPolarHBondContact O-CA 2.92Å; A203-S213 PolarHBondContact N-OG 3.48Å; A203-S213 WeakPolarHBondContact O-CB 3.26Å; A203-S213 PolarHBondContact O-N 2.91Å; A203-S213 PolarHBondContact O-OG 3.11Å
204Q97.9Very high94.7Very high29 Ų2954.8 Ų54.814%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-148.2149.8169.7-172180-6.700108.1L161 K162 D208 P212L161-Q204 CarbonylContact C-O 3.5Å; L161-Q204 VanDerWaalsContact CA-O 3.29Å; L161-Q204 WeakPolarHBondContact CA-O 3.47Å; L161-Q204 WeakPolarHBondContact CD2-O 3.28Å; K162-Q204 HydrophobicContact CG-CB 4.25Å; K162-Q204 PolarHBondContact N-O 2.97Å; K162-Q204 PolarHBondContact O-N 2.81Å; Q204-D208 PolarHBondContact NE2-OD1 2.96Å; Q204-P212 HydrophobicContact CB-CB 4.31Å; Q204-P212 HydrophobicContact CB-CG 4.49Å; Q204-P212 HydrophobicContact CG-CB 4.47Å; Q204-P212 HydrophobicContact CG-CG 4.21Å
205D96.7Very high95.8Very high5 Ų549.3 Ų49.33%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-56.8138.4169.6-176.784.4000111.1I126 K162 T207 D208I126-D205 HydrophobicContact CG2-CB 4.04Å; K162-D205 WeakPolarHBondContact CE-O 3.21Å; D205-T207 PolarHBondContact O-N 2.94Å; D205-T207 WeakPolarHBondContact OD2-CA 2.97Å; D205-T207 VanDerWaalsContact OD2-CB 3.28Å; D205-T207 WeakPolarHBondContact OD2-CB 3.46Å; D205-T207 PolarHBondContact OD2-N 2.96Å; D205-T207 PolarHBondContact OD2-OG1 2.8Å; D205-D208 PolarHBondContact O-N 2.91Å
206L96.8Very high96.5Very high59 Ų5948.2 Ų48.231%0.30924%0.241SC..THydrogen-bonded Turntrans-60.4-35.1-176.6-177.865000112S160 K162 E182 D208S160-L206 WeakPolarHBondContact O-CB 3.09Å; S160-L206 PolarHBondContact O-N 3.17Å; K162-L206 HydrophobicContact CB-CD1 4.13Å; K162-L206 HydrophobicContact CD-CD1 4.23Å; K162-L206 PolarHBondContact NZ-O 3.19Å; E182-L206 HydrophobicContact CG-CD1 3.93Å; L206-D208 PolarHBondContact O-N 2.75Å
207T93.9Very high96.9Very high85 Ų8547.2 Ų47.252%0.52124%0.243SC..THydrogen-bonded Turntrans-78.94.1-177.274.60000114D205 Y209D205-T207 PolarHBondContact O-N 2.94Å; D205-T207 WeakPolarHBondContact OD2-CA 2.97Å; D205-T207 VanDerWaalsContact OD2-CB 3.28Å; D205-T207 WeakPolarHBondContact OD2-CB 3.46Å; D205-T207 PolarHBondContact OD2-N 2.96Å; D205-T207 PolarHBondContact OD2-OG1 2.8Å; T207-Y209 PolarHBondContact O-N 3.25Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.48Å
208D94.3Very high97.1Very high95 Ų9548.5 Ų48.551%0.50826%0.256SS..  trans64.19.9-174.7-71-55.8000115.2K162 Q204 D205 L206K162-D208 WeakPolarHBondContact CE-OD1 3.39Å; K162-D208 IonicContact NZ-OD1 3.99Å; K162-D208 PolarHBondContact NZ-OD1 3.29Å; K162-D208 IonicContact NZ-OD2 3.19Å; K162-D208 PolarHBondContact NZ-OD2 3.01Å; Q204-D208 PolarHBondContact NE2-OD1 2.96Å; D205-D208 PolarHBondContact O-N 2.91Å; L206-D208 PolarHBondContact O-N 2.75Å
209Y93.9Very high97.1Very high115 Ų11547.6 Ų47.645%0.45125%0.252SS..  trans-64.2140.4171.3-73.2-36.1000112.2E123 T207E123-Y209 HydrophobicContact CB-CD1 4.4Å; E123-Y209 HydrophobicContact CB-CD2 4.11Å; E123-Y209 HydrophobicContact CB-CG 4.05Å; E123-Y209 HydrophobicContact CG-CD2 4.2Å; E123-Y209 HydrophobicContact CG-CE2 4.41Å; E123-Y209 WeakPolarHBondContact O-CB 3.44Å; T207-Y209 PolarHBondContact O-N 3.25Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.48Å
210G94.9Very high96.9Very high28 Ų2854.5 Ų54.529%0.28928%0.284SS..SBendtrans70.8-132.8177.100000114E123 I126E123-G210 PolarHBondContact O-N 3.39Å; E123-G210 VanDerWaalsContact O-N 3.11Å; I126-G210 CarbonylContact O-C 3.5Å; I126-G210 WeakPolarHBondContact O-CA 3.41Å
211K96.9Very high96.5Very high141 Ų14157.3 Ų57.361%0.61331%0.311SS*.  trans-136.7153.1-174.2-65.7-176.7-176.6178.50111.5I126 K127I126-K211 PolarHBondContact O-N 3.13Å; K127-K211 WeakPolarHBondContact CA-O 2.96Å; K127-K211 HydrophobicContact CB-CB 4.48Å; K127-K211 HydrophobicContact CG-CB 4.23Å
212P98Very high95.8Very high36 Ų3660.5 Ų60.523%0.23433%0.326CS..PPolyproline II helixtrans-61.3150.8170.3-18.429.2000112.7K127 A203 Q204K127-P212 WeakPolarHBondContact CG-O 3.41Å; K127-P212 PolarHBondContact NZ-O 3.31Å; A203-P212 CarbonylContact O-C 3.55Å; A203-P212 WeakPolarHBondContact O-CA 2.92Å; Q204-P212 HydrophobicContact CB-CB 4.31Å; Q204-P212 HydrophobicContact CB-CG 4.49Å; Q204-P212 HydrophobicContact CG-CB 4.47Å; Q204-P212 HydrophobicContact CG-CG 4.21Å
213S98.6Very high94.4Very high5 Ų571.6 Ų71.64%0.03537%0.368CS..PPolyproline II helixtrans-57.5163.1166.280.80000110.5P128 D129 S202 A203P128-S213 WeakPolarHBondContact O-CA 3.3Å; P128-S213 WeakPolarHBondContact O-CB 3.34Å; D129-S213 VanDerWaalsContact O-CB 3.3Å; D129-S213 WeakPolarHBondContact O-CB 3.45Å; S202-S213 WeakPolarHBondContact CA-OG 3.44Å; S202-S213 PolarHBondContact OG-O 2.76Å; S202-S213 PolarHBondContact OG-OG 3.34Å; A203-S213 PolarHBondContact N-OG 3.48Å; A203-S213 WeakPolarHBondContact O-CB 3.26Å; A203-S213 PolarHBondContact O-N 2.91Å; A203-S213 PolarHBondContact O-OG 3.11Å
214D98.5Very high92.5Very high91 Ų9177.6 Ų77.649%0.48741%0.405SS..PPolyproline II helixtrans-66.8166.7163.1-54.9-31.6000109.6K127 P130K127-D214 IonicContact NZ-OD1 2.6Å; K127-D214 PolarHBondContact NZ-OD1 2.86Å; P130-D214 WeakPolarHBondContact CB-O 3.34Å; P130-D214 HydrophobicContact CG-CB 4.18Å; P130-D214 WeakPolarHBondContact CG-O 3.36Å
215W98.5Very high90Very high60 Ų6081.9 Ų81.923%0.22744%0.435CS..PPolyproline II helixtrans-70.5138176.4-64.198.4000110.1R164 R166 Q200R164-W215 HydrophobicContact CB-CH2 4.04Å; R164-W215 HydrophobicContact CB-CZ3 4.33Å; R164-W215 WeakPolarHBondContact O-CZ3 3.19Å; R166-W215 HydrophobicContact CB-CE3 4.22Å; R166-W215 HydrophobicContact CB-CH2 3.79Å; R166-W215 HydrophobicContact CB-CZ2 4.28Å; R166-W215 HydrophobicContact CB-CZ3 3.75Å; R166-W215 HydrophobicContact CG-CD2 3.93Å; R166-W215 HydrophobicContact CG-CE3 3.62Å; R166-W215 HydrophobicContact CG-CH2 4.07Å; R166-W215 HydrophobicContact CG-CZ2 4.35Å; R166-W215 HydrophobicContact CG-CZ3 3.69Å; Q200-W215 HydrophobicContact CB-CB 4.15Å; Q200-W215 HydrophobicContact CB-CE3 4.28Å
216S98.7Very high87.4Confident4 Ų490.7 Ų90.73%0.02848%0.476CS..PPolyproline II helixtrans-56.6166.5174.372.30000111.4P131 V134 Q200 V201P131-S216 VanDerWaalsContact O-CB 3.32Å; P131-S216 WeakPolarHBondContact O-CB 3.26Å; V134-S216 WeakPolarHBondContact CG2-OG 3.36Å; Q200-S216 VanDerWaalsContact CG-O 3.31Å; Q200-S216 WeakPolarHBondContact CG-O 3.27Å; Q200-S216 PolarHBondContact NE2-O 3.08Å; V201-S216 PolarHBondContact N-OG 3.34Å; V201-S216 WeakPolarHBondContact O-CB 3.5Å; V201-S216 PolarHBondContact O-N 3.46Å; V201-S216 PolarHBondContact O-OG 3.42Å
217L97.4Very high84.7Confident143 Ų14397 Ų9775%0.74950%0.501SS*.PPolyproline II helixtrans-57.2152.5162-64.1177.4000110.4G219L217-G219 PolarHBondContact O-N 3.01Å
218P96.8Very high82.6Confident65 Ų65102 Ų10242%0.42254%0.535SS..PPolyproline II helixtrans-53.8135.2174.7-26.535.6000111.8I199 Q200I199-P218 CarbonylContact O-C 3.54Å; I199-P218 WeakPolarHBondContact O-CA 3.22Å; Q200-P218 HydrophobicContact CG-CG 4.39Å
219G95.3Very high82Confident14 Ų14102.4 Ų102.414%0.14454%0.537CS..PPolyproline II helixtrans-59.1143.4179.400000112.5V134 I199 L217V134-G219 CarbonylContact O-C 3.51Å; V134-G219 VanDerWaalsContact O-CA 3.23Å; V134-G219 WeakPolarHBondContact O-CA 3.24Å; I199-G219 PolarHBondContact O-N 3.29Å; L217-G219 PolarHBondContact O-N 3.01Å
220Q94.4Very high81.4Confident146 Ų146101.7 Ų101.768%0.68254%0.541SS*.EExtended strand (participates in β ladder)trans-99.9137.2-178.6-59.9-174.513.100110.2V134 R135 L136 E222V134-Q220 PolarHBondContact O-N 3.04Å; R135-Q220 CarbonylContact C-O 3.54Å; R135-Q220 WeakPolarHBondContact CA-O 3.24Å; L136-Q220 PolarHBondContact N-O 2.8Å; Q220-E222 PolarHBondContact O-N 3.33Å
221A89.7Confident80.7Confident81 Ų81105.8 Ų105.867%0.66956%0.555SS**EExtended strand (participates in β ladder)trans-65.2130.5172.300000109.6R223A221-R223 PolarHBondContact O-N 3.32Å
222E83.6Confident79.7Confident68 Ų68103.8 Ų103.832%0.31855%0.552SS.*PPolyproline II helixtrans-72.9125.9173.2-158.2173.6-126.600108.8R135 L136 R137 Q220 T224R135-E222 IonicContact NH1-OE1 3.51Å; L136-E222 PolarHBondContact O-N 2.83Å; R137-E222 VanDerWaalsContact CD-OE2 3.31Å; R137-E222 WeakPolarHBondContact CD-OE2 3.5Å; R137-E222 HydrophobicContact CG-CB 4.18Å; R137-E222 VanDerWaalsContact CG-OE2 3.29Å; R137-E222 WeakPolarHBondContact CG-OE2 3.48Å; R137-E222 IonicContact CZ-OE1 3.65Å; R137-E222 IonicContact CZ-OE2 3.55Å; R137-E222 VanDerWaalsContact NE-CD 3.35Å; R137-E222 IonicContact NE-OE1 2.74Å; R137-E222 PolarHBondContact NE-OE1 2.83Å; R137-E222 IonicContact NE-OE2 2.73Å; R137-E222 PolarHBondContact NE-OE2 3.26Å; R137-E222 IonicContact NH2-OE1 2.82Å; R137-E222 PolarHBondContact NH2-OE1 3.37Å; R137-E222 IonicContact NH2-OE2 2.79Å; R137-E222 PolarHBondContact NH2-OE2 3.15Å; Q220-E222 PolarHBondContact O-N 3.33Å; E222-T224 PolarHBondContact O-N 3.27Å
223R69.1Low78.6Confident234 Ų234108 Ų10888%0.88357%0.572SS**  trans-70.8113.2173.6-62.1-174.9-166.4-178.94.6107A221A221-R223 PolarHBondContact O-N 3.32Å
224T58.1Low77.2Confident125 Ų125114.9 Ų114.977%0.76761%0.607SS**PPolyproline II helixtrans-66.7128.2165.7-15.90000106.9E222 Q226E222-T224 PolarHBondContact O-N 3.27Å; T224-Q226 PolarHBondContact O-N 3.12Å; T224-Q226 VanDerWaalsContact O-N 3.09Å
225P45.4Very low75.7Confident120 Ų120116.6 Ų116.678%0.77962%0.616SS**PPolyproline II helixtrans-58.7119.5169.22.50.7000107.8K227P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.17Å
226Q41.9Very low74Confident189 Ų189120.9 Ų120.988%0.88365%0.646SS**PPolyproline II helixtrans-60.4118.1163.3-86.6170.7-3800106.3T224T224-Q226 PolarHBondContact O-N 3.12Å; T224-Q226 VanDerWaalsContact O-N 3.09Å
227K40.3Very low71.9Confident193 Ų193130.7 Ų130.784%0.83970%0.697SS**PPolyproline II helixtrans-58.6129.7169.2-168.4177.1-178.9-177.20107P225P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.17Å
228P50.8Low69.6Low190 Ų190129.5 Ų129.5100%1.23469%0.693SS**  trans-61.50178.825.9-33.5000111.9

Retrieved 228 of 228 residues in 86.2 ms (Link to these results)