A0A087YB35_POEFO Loading...

Ciliary neurotrophic factor receptor subunit alpha-like

AlphaFold DB , UniProt , Accession A0A087YB35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 397 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 low47.1Very low241 Ų241121.6 Ų121.6100%1.18773%0.732SS**  0136.50-73.7-177.5168.800107.1
2P40.6Very low47.8Very low134 Ų134117.6 Ų117.687%0.8771%0.709SS**  cis-108.2150.333.136.3-28.7000113.9
3G40.8Very low48.4Very low68 Ų68114.9 Ų114.970%0.70169%0.693SS**  trans-86.5148.7171.900000111.2
4L44.1Very low49Very low178 Ų178114.5 Ų114.593%0.93268%0.683SS**  trans-118120162.1-94.9156.7000107.7S6L4-S6 PolarHBondContact O-N 3.38Å
5L39.9Very low48.9Very low168 Ų168117.2 Ų117.288%0.8868%0.677SS**  trans-59.6123.4-179.4-70.9103.5000110.6S7L5-S7 PolarHBondContact O-N 2.94Å
6S45.8Very low49Very low98 Ų98119 Ų11969%0.68567%0.674SS**  trans-71.2104.7162.8174.20000108.3L4L4-S6 PolarHBondContact O-N 3.38Å
7S52.1Low48.9Very low61 Ų61118.7 Ų118.743%0.42767%0.67SS.*  trans-75.3131.5172172.90000109.7L5 V9 C10L5-S7 PolarHBondContact O-N 2.94Å; S7-V9 PolarHBondContact O-N 3.19Å; S7-C10 PolarHBondContact O-N 2.89Å; S7-C10 VanDerWaalsContact O-N 3.07Å
8P53.7Low48.8Very low100 Ų100116.3 Ų116.365%0.64966%0.662SS**Hα-helixtrans-63.9-12-177.225.1-33000113.9
9V55.4Low48.6Very low97 Ų97120 Ų12059%0.58866%0.664SS**Hα-helixtrans-76.3-25.7176.7-174.70000112S7 T12 V13S7-V9 PolarHBondContact O-N 3.19Å; V9-T12 PolarHBondContact O-OG1 2.94Å; V9-V13 WeakPolarHBondContact O-CG2 3.3Å
10C50.3Low48.3Very low82 Ų82118.1 Ų118.155%0.55466%0.66SS**Hα-helixtrans-77-33.7-177.7-146.60000112S7 V13 I14S7-C10 PolarHBondContact O-N 2.89Å; S7-C10 VanDerWaalsContact O-N 3.07Å; C10-V13 PolarHBondContact O-N 3.42Å; C10-I14 WeakPolarHBondContact O-CG1 3.43Å; C10-I14 PolarHBondContact O-N 3.45Å
11L52.3Low47.9Very low111 Ų111119 Ų11958%0.58166%0.662SS**Hα-helixtrans-71.3-32.8178.3-69.9171.3000112.4W15L11-W15 PolarHBondContact O-N 2.9Å
12T55.6Low47.9Very low73 Ų73112.3 Ų112.345%0.44864%0.637SS.*Hα-helixtrans-69.1-34.6176.747.70000112.2V9 W15 F16V9-T12 PolarHBondContact O-OG1 2.94Å; T12-W15 PolarHBondContact O-N 3.1Å; T12-F16 VanDerWaalsContact O-CD2 3.29Å; T12-F16 WeakPolarHBondContact O-CD2 3.3Å; T12-F16 PolarHBondContact O-N 3.43Å
13V55.3Low47.6Very low83 Ų83112 Ų11250%0.50364%0.636SS.*Hα-helixtrans-71.4-36.9178.7178.30000111.7V9 C10 W15 L17V9-V13 WeakPolarHBondContact O-CG2 3.3Å; C10-V13 PolarHBondContact O-N 3.42Å; V13-W15 VanDerWaalsContact C-N 3.31Å; V13-W15 PolarHBondContact O-N 2.92Å; V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 WeakPolarHBondContact O-CG 3.41Å; V13-L17 PolarHBondContact O-N 2.83Å
14I56.4Low47.2Very low109 Ų109114 Ų11456%0.55964%0.638SS**Hα-helixtrans-67.1-35.7176.3-62.5166.7000110.8C10 S18C10-I14 WeakPolarHBondContact O-CG1 3.43Å; C10-I14 PolarHBondContact O-N 3.45Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.15Å
15W47.3Very low46.6Very low155 Ų155117 Ų11759%0.58764%0.637SS**Hα-helixtrans-73.6-34.5-179-155.152.9000113.5L11 T12 V13 S18 W19L11-W15 PolarHBondContact O-N 2.9Å; T12-W15 PolarHBondContact O-N 3.1Å; V13-W15 VanDerWaalsContact C-N 3.31Å; V13-W15 PolarHBondContact O-N 2.92Å; W15-S18 PolarHBondContact O-OG 3.31Å; W15-W19 HydrophobicContact CD2-CZ3 4.33Å; W15-W19 HydrophobicContact CE3-CZ3 4.18Å; W15-W19 AromaticContact CH2-CH2 3.84Å; W15-W19 HydrophobicContact CH2-CH2 3.84Å; W15-W19 AromaticContact CH2-CZ3 3.57Å; W15-W19 HydrophobicContact CH2-CZ3 3.57Å; W15-W19 AromaticContact CZ2-CH2 3.82Å; W15-W19 HydrophobicContact CZ2-CH2 3.82Å; W15-W19 AromaticContact CZ2-CZ3 3.71Å; W15-W19 HydrophobicContact CZ2-CZ3 3.71Å; W15-W19 AromaticContact CZ3-CZ3 3.81Å; W15-W19 HydrophobicContact CZ3-CZ3 3.81Å
16F51.7Low46.1Very low146 Ų146112.9 Ų112.964%0.6463%0.628SS**Hα-helixtrans-73.9-33.2174.4-84.9-73.5000112.9T12 S18 W19 S20T12-F16 VanDerWaalsContact O-CD2 3.29Å; T12-F16 WeakPolarHBondContact O-CD2 3.3Å; T12-F16 PolarHBondContact O-N 3.43Å; F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 2.76Å; F16-W19 PolarHBondContact O-N 3.28Å; F16-S20 PolarHBondContact O-OG 2.96Å
17L47Very low45.4Very low114 Ų114116.5 Ų116.560%0.59763%0.634SS**Hα-helixtrans-71.7-25.3175.9-74.4167.5000113.2V13 W19 S20V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 WeakPolarHBondContact O-CG 3.41Å; V13-L17 PolarHBondContact O-N 2.83Å; L17-W19 VanDerWaalsContact C-N 3.33Å; L17-S20 PolarHBondContact O-OG 3.3Å
18S47.7Very low44.2Very low76 Ų76120.7 Ų120.753%0.53165%0.65SS.*THydrogen-bonded Turntrans-77.6-14176.2520000114.4I14 W15 F16I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.15Å; W15-S18 PolarHBondContact O-OG 3.31Å; F16-S18 VanDerWaalsContact C-N 3.33Å; F16-S18 PolarHBondContact O-N 2.76Å
19W44.6Very low42.9Very low186 Ų186126.3 Ų126.371%0.70566%0.658SS**THydrogen-bonded Turntrans-98.3-9.3179.3-111.9-31.9000114.7W15 F16 L17W15-W19 HydrophobicContact CD2-CZ3 4.33Å; W15-W19 HydrophobicContact CE3-CZ3 4.18Å; W15-W19 AromaticContact CH2-CH2 3.84Å; W15-W19 HydrophobicContact CH2-CH2 3.84Å; W15-W19 AromaticContact CH2-CZ3 3.57Å; W15-W19 HydrophobicContact CH2-CZ3 3.57Å; W15-W19 AromaticContact CZ2-CH2 3.82Å; W15-W19 HydrophobicContact CZ2-CH2 3.82Å; W15-W19 AromaticContact CZ2-CZ3 3.71Å; W15-W19 HydrophobicContact CZ2-CZ3 3.71Å; W15-W19 AromaticContact CZ3-CZ3 3.81Å; W15-W19 HydrophobicContact CZ3-CZ3 3.81Å; F16-W19 PolarHBondContact O-N 3.28Å; L17-W19 VanDerWaalsContact C-N 3.33Å
20S41.9Very low41.8Very low82 Ų82126 Ų12657%0.57366%0.66SS**SBendtrans-92.83.9179.842.40000114.9F16 L17F16-S20 PolarHBondContact O-OG 2.96Å; L17-S20 PolarHBondContact O-OG 3.3Å
21L40.4Very low41.1Very low136 Ų136128.3 Ų128.371%0.71267%0.667SS**SBendtrans-95.3121174.2-70.9165000109.4
22P42.1Very low40.8Very low102 Ų102128.4 Ų128.466%0.66267%0.665SS**  trans-58.915217225.7-31.7000108.9S24P22-S24 VanDerWaalsContact C-N 3.29Å; P22-S24 PolarHBondContact O-N 2.92Å
23P35.2Very low40.6Very low128 Ų128130.3 Ų130.383%0.83168%0.676SS**  trans-62.799176.226.6-30.9000107R25P23-R25 VanDerWaalsContact C-N 3.28Å; P23-R25 PolarHBondContact O-N 3.06Å
24S31.7Very low40.9Very low109 Ų109128.7 Ų128.776%0.76267%0.668SS**  trans-58.4103.816643.80000104.7P22 A26P22-S24 VanDerWaalsContact C-N 3.29Å; P22-S24 PolarHBondContact O-N 2.92Å; S24-A26 PolarHBondContact O-N 3.11Å
25R32.3Very low42.2Very low240 Ų240127.7 Ų127.791%0.90666%0.664SS**  trans-56.291.6165.9-156.3-178.1-158.4-168.25.3104.2P23 Q27P23-R25 VanDerWaalsContact C-N 3.28Å; P23-R25 PolarHBondContact O-N 3.06Å; R25-Q27 PolarHBondContact O-N 2.98Å
26A29.5Very low44.4Very low82 Ų82123.9 Ų123.968%0.67866%0.658SS**  trans-63.591.6169.200000103.9S24 I28S24-A26 PolarHBondContact O-N 3.11Å; A26-I28 PolarHBondContact O-N 3.13Å
27Q30Very low46.4Very low175 Ų175119.9 Ų119.982%0.81864%0.641SS**  trans-61.899.6164-159.9160.4100102.7R25 W29R25-Q27 PolarHBondContact O-N 2.98Å; Q27-W29 PolarHBondContact O-N 2.76Å
28I28.3Very low48.7Very low148 Ų148117.9 Ų117.976%0.75963%0.628SS**  trans-60.489.4168.4-63.3165.7000103.3A26 S30A26-I28 PolarHBondContact O-N 3.13Å; I28-S30 PolarHBondContact O-N 3.46Å
29W26.6Very low50.9Low219 Ų219114.5 Ų114.583%0.8360%0.604SS**  trans-70.490.3159.2-143.241.4000102.4Q27 D31Q27-W29 PolarHBondContact O-N 2.76Å; W29-D31 PolarHBondContact O-N 2.78Å
30S32Very low53.3Low89 Ų89112.2 Ų112.262%0.62260%0.596SS**  trans-58.697.4163.341.70000104.9I28 E32I28-S30 PolarHBondContact O-N 3.46Å; S30-E32 PolarHBondContact O-N 2.74Å
31D34.2Very low55.8Low132 Ų132108.6 Ų108.671%0.70657%0.57SS**  trans-67.160.4169.9-144.67.7000107.3W29 V33W29-D31 PolarHBondContact O-N 2.78Å; D31-V33 PolarHBondContact O-N 2.82Å
32E47.4Very low58.3Low113 Ų113108.7 Ų108.753%0.52857%0.566SS.*  trans-72.389.4169.8-165.4175.9177.500105S30 S34 H103S30-E32 PolarHBondContact O-N 2.74Å; E32-S34 PolarHBondContact O-N 2.93Å; E32-H103 IonicContact OE1-ND1 2.87Å; E32-H103 PolarHBondContact OE1-ND1 2.87Å
33V50.6Low60.8Low113 Ų113105.4 Ų105.469%0.68555%0.546SS*.  trans-41.4113.4172.2177.50000107.2D31 D35D31-V33 PolarHBondContact O-N 2.82Å; V33-D35 PolarHBondContact O-N 3.13Å
34S61.9Low63.6Low49 Ų49103.7 Ų103.734%0.34353%0.53SS..PPolyproline II helixtrans-57.8117.6179.5-51.70000108.5E32E32-S34 PolarHBondContact O-N 2.93Å
35D84.4Confident66.6Low87 Ų8798.9 Ų98.947%0.46550%0.496SS..EExtended strand (participates in β ladder)trans-63.5140-179.4-80.3-35000109.1V33 H103 S104 V105 I106V33-D35 PolarHBondContact O-N 3.13Å; D35-H103 IonicContact OD2-CE1 3.67Å; D35-H103 PolarHBondContact OD2-CE1 2.87Å; D35-H103 IonicContact OD2-NE2 3.86Å; D35-S104 PolarHBondContact N-O 3.35Å; D35-V105 HydrophobicContact CB-CG2 4.47Å; D35-V105 CarbonylContact O-C 3.48Å; D35-V105 VanDerWaalsContact O-CA 3.29Å; D35-V105 WeakPolarHBondContact O-CA 3.29Å; D35-V105 VanDerWaalsContact O-CG2 3.3Å; D35-V105 WeakPolarHBondContact O-CG2 3.24Å; D35-I106 PolarHBondContact O-N 2.82Å
36V92Very high69.6Low75 Ų7590.8 Ų90.846%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-99.4119174.5-178.20000108.3F38 I106 R108V36-F38 HydrophobicContact CG1-CD2 4.47Å; V36-F38 HydrophobicContact CG1-CE1 4.2Å; V36-F38 HydrophobicContact CG1-CE2 3.89Å; V36-F38 HydrophobicContact CG1-CZ 3.74Å; V36-I106 WeakPolarHBondContact CA-O 3.43Å; V36-I106 HydrophobicContact CG2-CB 4.42Å; V36-R108 HydrophobicContact CG1-CG 3.94Å
37Q94Very high72.6Confident62 Ų6286.9 Ų86.929%0.2944%0.441SS..EExtended strand (participates in β ladder)trans-105.8135.8173.9-174171.7-18.900110.2T46 L47 V105 I106 L107 R108Q37-T46 PolarHBondContact NE2-O 2.78Å; Q37-L47 HydrophobicContact CB-CD2 4.46Å; Q37-L47 VanDerWaalsContact CD-CD2 3.46Å; Q37-L47 HydrophobicContact CG-CD2 4.28Å; Q37-L47 VanDerWaalsContact OE1-CD2 3.24Å; Q37-V105 HydrophobicContact CB-CG2 3.57Å; Q37-I106 PolarHBondContact N-O 2.87Å; Q37-L107 WeakPolarHBondContact O-CA 2.93Å; Q37-R108 PolarHBondContact O-N 3.12Å
38F95.1Very high75.4Confident73 Ų7381 Ų8132%0.3242%0.422SS..EExtended strand (participates in β ladder)trans-102.9134.7176.8-61.7-86.1000110.3V36 R108 L140 A190 L191V36-F38 HydrophobicContact CG1-CD2 4.47Å; V36-F38 HydrophobicContact CG1-CE1 4.2Å; V36-F38 HydrophobicContact CG1-CE2 3.89Å; V36-F38 HydrophobicContact CG1-CZ 3.74Å; F38-R108 CarbonylContact C-O 3.6Å; F38-R108 WeakPolarHBondContact CA-O 3.33Å; F38-R108 HydrophobicContact CD1-CB 3.79Å; F38-R108 HydrophobicContact CE1-CB 3.95Å; F38-R108 HydrophobicContact CE1-CG 4.39Å; F38-L140 HydrophobicContact CD1-CD1 4.46Å; F38-L140 HydrophobicContact CD1-CD2 3.81Å; F38-L140 HydrophobicContact CE1-CD2 4.21Å; F38-A190 HydrophobicContact CB-CB 3.61Å; F38-A190 HydrophobicContact CD1-CB 3.57Å; F38-A190 HydrophobicContact CD2-CB 3.23Å; F38-A190 HydrophobicContact CE1-CB 3.97Å; F38-A190 HydrophobicContact CE2-CB 3.66Å; F38-A190 HydrophobicContact CG-CB 3.15Å; F38-A190 HydrophobicContact CZ-CB 4Å; F38-L191 HydrophobicContact CB-CD2 4.08Å
39G94.4Very high78.2Confident4 Ų474.5 Ų74.54%0.04139%0.39CS..EExtended strand (participates in β ladder)trans-130.5159.4177.300000111.9R108 L109 G110G39-R108 PolarHBondContact N-O 2.9Å; G39-L109 WeakPolarHBondContact O-CA 3.21Å; G39-G110 PolarHBondContact O-N 3.14Å; G39-G110 VanDerWaalsContact O-N 3.09Å
40R95.5Very high80.8Confident139 Ų13965.4 Ų65.453%0.52536%0.364SS..EExtended strand (participates in β ladder)trans-91.9133.2178.1-177.4-178175.7178.60.4110.1S43 V84 G110 L191R40-S43 WeakPolarHBondContact CB-OG 3.26Å; R40-S43 PolarHBondContact O-OG 2.71Å; R40-V84 WeakPolarHBondContact O-CG2 3.32Å; R40-G110 CarbonylContact C-O 3.55Å; R40-G110 VanDerWaalsContact CA-O 3.31Å; R40-G110 WeakPolarHBondContact CA-O 3.41Å; R40-L191 HydrophobicContact CB-CD1 4.16Å
41L94.6Very high82.4Confident5 Ų571.5 Ų71.53%0.02638%0.379CS..THydrogen-bonded Turntrans-61150.4172-73.5166.4000111.1S43 D85 Q86 L109 G110 Y111 F139L41-S43 PolarHBondContact O-N 2.8Å; L41-D85 VanDerWaalsContact CD2-C 3.45Å; L41-Q86 HydrophobicContact CD1-CG 4.43Å; L41-Q86 HydrophobicContact CD2-CG 4.1Å; L41-L109 HydrophobicContact CD2-CB 3.75Å; L41-L109 HydrophobicContact CD2-CD1 4.23Å; L41-L109 HydrophobicContact CG-CB 4.02Å; L41-G110 PolarHBondContact N-O 3.12Å; L41-Y111 HydrophobicContact CB-CD1 4.31Å; L41-Y111 HydrophobicContact CB-CE1 3.68Å; L41-Y111 HydrophobicContact CB-CE2 4.23Å; L41-Y111 HydrophobicContact CD1-CD2 4.05Å; L41-Y111 HydrophobicContact CD1-CE1 4.47Å; L41-Y111 HydrophobicContact CD1-CE2 3.49Å; L41-Y111 VanDerWaalsContact CD1-CE2 3.49Å; L41-Y111 HydrophobicContact CG-CE2 4.48Å; L41-F139 HydrophobicContact CD1-CD2 4.1Å
42E93.1Very high83.4Confident138 Ų13869 Ų6965%0.64537%0.372SS*.THydrogen-bonded Turntrans59.826.4-179.6-58.6160.9-153.400113.3V84 Y111E42-V84 PolarHBondContact N-O 3.14Å; E42-Y111 PolarHBondContact OE1-OH 3.44Å
43S93.7Very high83.8Confident34 Ų3472.8 Ų72.824%0.23839%0.39CS..SBendtrans-135.1171178.7790000111.3R40 L41 L83 V84R40-S43 WeakPolarHBondContact CB-OG 3.26Å; R40-S43 PolarHBondContact O-OG 2.71Å; L41-S43 PolarHBondContact O-N 2.8Å; S43-L83 WeakPolarHBondContact O-CA 3.47Å; S43-L83 PolarHBondContact O-N 2.89Å; S43-V84 WeakPolarHBondContact O-CG2 3.3Å; S43-V84 PolarHBondContact O-N 2.92Å
44N95.1Very high84.2Confident91 Ų9169.8 Ų69.849%0.48737%0.37SS..  trans-84.8133.4175.7-60.4-11.5000109.4L81 F82 L83N44-L81 CarbonylContact C-O 3.58Å; N44-L81 VanDerWaalsContact CA-O 3.25Å; N44-L81 WeakPolarHBondContact CA-O 3.46Å; N44-F82 WeakPolarHBondContact OD1-CA 3.33Å; N44-L83 PolarHBondContact OD1-N 2.82Å
45V94.6Very high84.1Confident8 Ų872.7 Ų72.75%0.04839%0.39CS..EExtended strand (participates in β ladder)trans-121131.8179.5176.90000109.3L47 L81 V84 L107 L109V45-L47 HydrophobicContact CG1-CD2 4.03Å; V45-L81 PolarHBondContact N-O 2.77Å; V45-L81 PolarHBondContact O-N 2.83Å; V45-V84 HydrophobicContact CB-CG1 4.31Å; V45-V84 HydrophobicContact CG2-CG1 4.27Å; V45-V84 HydrophobicContact CG2-CG2 3.69Å; V45-L107 HydrophobicContact CG1-CD1 3.93Å; V45-L107 HydrophobicContact CG1-CD2 4.29Å; V45-L109 HydrophobicContact CG2-CD2 4.13Å
46T93.8Very high83.2Confident71 Ų7171.5 Ų71.544%0.43639%0.386SS..EExtended strand (participates in β ladder)trans-111.6125.2178.4-53.10000110.3Q37 L79 V80Q37-T46 PolarHBondContact NE2-O 2.78Å; T46-L79 CarbonylContact C-O 3.57Å; T46-L79 VanDerWaalsContact CA-O 3.29Å; T46-L79 WeakPolarHBondContact CA-O 3.39Å; T46-V80 HydrophobicContact CG2-CG2 4.05Å
47L92.4Very high82.4Confident0 Ų071.8 Ų71.80%039%0.389CS..EExtended strand (participates in β ladder)trans-105.6133175.4-51.4-178.8000109.5Q37 V45 W60 S78 L79 L81 Y92 V105 L107Q37-L47 HydrophobicContact CB-CD2 4.46Å; Q37-L47 VanDerWaalsContact CD-CD2 3.46Å; Q37-L47 HydrophobicContact CG-CD2 4.28Å; Q37-L47 VanDerWaalsContact OE1-CD2 3.24Å; V45-L47 HydrophobicContact CG1-CD2 4.03Å; L47-W60 HydrophobicContact CB-CH2 4.01Å; L47-W60 HydrophobicContact CB-CZ2 4.47Å; L47-W60 HydrophobicContact CB-CZ3 4.45Å; L47-S78 CarbonylContact O-C 3.51Å; L47-S78 VanDerWaalsContact O-CA 3.25Å; L47-S78 WeakPolarHBondContact O-CA 3.31Å; L47-S78 WeakPolarHBondContact O-CB 3.44Å; L47-L79 HydrophobicContact CB-CB 4.37Å; L47-L79 HydrophobicContact CD1-CD2 4.3Å; L47-L79 PolarHBondContact N-O 3.31Å; L47-L79 PolarHBondContact O-N 3.07Å; L47-L81 HydrophobicContact CD1-CD1 4.4Å; L47-Y92 HydrophobicContact CD1-CD1 3.79Å; L47-Y92 HydrophobicContact CD1-CD2 3.69Å; L47-Y92 HydrophobicContact CD1-CE1 4.34Å; L47-Y92 HydrophobicContact CD1-CE2 4.26Å; L47-Y92 HydrophobicContact CD1-CG 3.42Å; L47-Y92 VanDerWaalsContact CD1-CG 3.42Å; L47-V105 HydrophobicContact CB-CG1 4.36Å; L47-V105 HydrophobicContact CD1-CG1 4.04Å; L47-V105 HydrophobicContact CD2-CG1 4.4Å; L47-L107 HydrophobicContact CD2-CD1 4.24Å; L47-L107 HydrophobicContact CD2-CD2 4.49Å
48A89.8Confident82.1Confident51 Ų5169.6 Ų69.642%0.42138%0.38SS..  trans-93.4143.3177.200000111G50A48-G50 PolarHBondContact O-N 2.8Å
49C88.1Confident81.8Confident11 Ų1169.9 Ų69.97%0.07439%0.387CS..SBendtrans-89.282.4173.1-174.60000109.7W60 C94C49-W60 HydrophobicContact CB-CH2 4.33Å; C49-W60 HydrophobicContact CB-CZ2 3.73Å; C49-C94 WeakPolarHBondContact CA-SG 3.44Å; C49-C94 HydrophobicContact CB-CB 3.81Å; C49-C94 WeakPolarHBondContact CB-SG 3.47Å; C49-C94 WeakPolarHBondContact SG-CB 3.15Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.14Å
50G79.4Confident81.7Confident28 Ų2870.3 Ų70.329%0.28939%0.388SS..THydrogen-bonded Turntrans72.4-166.4179.900000114.4A48A48-G50 PolarHBondContact O-N 2.8Å
51K67.3Low81.6Confident218 Ų21869 Ų6995%0.94838%0.383SS*.THydrogen-bonded Turntrans-90.75.3-172.3-68.2-178.7-179.4171.60115.1
52S55.1Low81.5Confident79 Ų7970.1 Ų70.155%0.55239%0.388SS*.SBendtrans-119.5142.7-167-172.90000112.5I54S52-I54 PolarHBondContact O-N 3.38Å
53Q56Low81.4Confident192 Ų19267.3 Ų67.390%0.89738%0.377SS*.  trans-71.360.1172.7-66.1-178.6-4.400110.1S55Q53-S55 PolarHBondContact O-N 2.95Å
54I57.9Low81Confident51 Ų5172.3 Ų72.326%0.26240%0.396SS..  trans-77.9109.5-175.9-67.1171.5000107.3S52 V56S52-I54 PolarHBondContact O-N 3.38Å; I54-V56 HydrophobicContact CG2-CB 3.36Å; I54-V56 HydrophobicContact CG2-CG2 3.36Å; I54-V56 PolarHBondContact O-N 3.23Å
55S59.8Low80.6Confident109 Ų10971.5 Ų71.576%0.76240%0.398SS*.  trans-81.933.2168.969.40000111.6Q53Q53-S55 PolarHBondContact O-N 2.95Å
56V65Low80.1Confident63 Ų6376.1 Ų76.138%0.38243%0.431SS..SBendtrans-99.1136.5178.6-175.80000106.6I54 V58I54-V56 HydrophobicContact CG2-CB 3.36Å; I54-V56 HydrophobicContact CG2-CG2 3.36Å; I54-V56 PolarHBondContact O-N 3.23Å; V56-V58 PolarHBondContact O-N 3.45Å
57P76.3Confident79.7Confident81 Ų8173.5 Ų73.553%0.52642%0.415SS..  trans-53.8128.4169.124.3-35.7000109.6D97P57-D97 WeakPolarHBondContact CG-OD1 3.47Å; P57-D97 WeakPolarHBondContact CG-OD2 3.13Å
58V87.5Confident79Confident16 Ų1677.2 Ų77.210%0.09744%0.441CS..  trans-122.5145.2178.9-63.90000110.2V56 V73 G77 Y95 L102V56-V58 PolarHBondContact O-N 3.45Å; V58-V73 HydrophobicContact CG2-CG1 4.23Å; V58-G77 VanDerWaalsContact CG2-O 3.27Å; V58-G77 WeakPolarHBondContact CG2-O 3.42Å; V58-Y95 WeakPolarHBondContact CA-O 3.14Å; V58-L102 HydrophobicContact CG1-CD1 3.7Å
59V89.7Confident78.1Confident79 Ų7979.5 Ų79.548%0.47945%0.453SS..EExtended strand (participates in β ladder)trans-109.2121.2176.9-177.40000109C94 Y95V59-C94 WeakPolarHBondContact O-CA 3.47Å; V59-Y95 PolarHBondContact N-O 3.47Å; V59-Y95 PolarHBondContact O-N 3.38Å
60W91.6Very high77.7Confident13 Ų1388.1 Ų88.15%0.04948%0.484CS..EExtended strand (participates in β ladder)trans-91.5141.5176.6-76.391.6000111.7L47 C49 V67 G77 L79 S93 C94 V105L47-W60 HydrophobicContact CB-CH2 4.01Å; L47-W60 HydrophobicContact CB-CZ2 4.47Å; L47-W60 HydrophobicContact CB-CZ3 4.45Å; C49-W60 HydrophobicContact CB-CH2 4.33Å; C49-W60 HydrophobicContact CB-CZ2 3.73Å; W60-V67 HydrophobicContact CB-CG2 3.78Å; W60-G77 PolarHBondContact NE1-O 2.52Å; W60-L79 HydrophobicContact CB-CD1 4.41Å; W60-L79 HydrophobicContact CB-CD2 4.08Å; W60-L79 HydrophobicContact CD2-CB 3.8Å; W60-L79 HydrophobicContact CD2-CD2 3.95Å; W60-L79 HydrophobicContact CD2-CG 4.43Å; W60-L79 HydrophobicContact CE3-CB 4.48Å; W60-L79 HydrophobicContact CE3-CD2 4.11Å; W60-L79 HydrophobicContact CG-CB 3.95Å; W60-L79 HydrophobicContact CG-CD1 4.29Å; W60-L79 HydrophobicContact CG-CD2 3.96Å; W60-L79 HydrophobicContact CG-CG 4.3Å; W60-L79 HydrophobicContact CZ2-CB 4.09Å; W60-S93 CarbonylContact C-O 3.55Å; W60-S93 WeakPolarHBondContact CA-O 3.38Å; W60-C94 HydrophobicContact CD2-CB 3.77Å; W60-C94 HydrophobicContact CE3-CB 3.88Å; W60-C94 HydrophobicContact CG-CB 4.43Å; W60-C94 HydrophobicContact CH2-CB 3.95Å; W60-C94 HydrophobicContact CZ2-CB 3.83Å; W60-C94 HydrophobicContact CZ3-CB 3.95Å; W60-V105 HydrophobicContact CZ3-CG1 4.38Å
61R92.2Very high78.2Confident112 Ų11290 Ų9042%0.42349%0.486SS..EExtended strand (participates in β ladder)trans-126.3138.2171.2-61-171-175.5-174.93110.4S65 Y92 S93 Y95R61-S65 CarbonylContact C-O 3.59Å; R61-S65 WeakPolarHBondContact CA-O 3.11Å; R61-S65 WeakPolarHBondContact CB-O 3.35Å; R61-Y92 WeakPolarHBondContact O-CA 3.25Å; R61-S93 PolarHBondContact N-O 2.69Å; R61-S93 PolarHBondContact O-N 3.22Å; R61-Y95 HydrophobicContact CB-CE2 4.16Å; R61-Y95 HydrophobicContact CG-CD2 4.18Å; R61-Y95 HydrophobicContact CG-CE2 3.93Å
62H93.6Very high79.2Confident27 Ų2784.8 Ų84.813%0.12547%0.465CS..EExtended strand (participates in β ladder)trans-109.4120.1173.8176.2-143.4000109.1H64 S65 V67 S87 Q89 N91 Y92H62-H64 PolarHBondContact O-N 2.86Å; H62-S65 PolarHBondContact N-O 3.41Å; H62-S65 WeakPolarHBondContact O-CA 3.4Å; H62-S65 WeakPolarHBondContact O-CB 3.37Å; H62-S65 PolarHBondContact O-N 3.19Å; H62-V67 HydrophobicContact CB-CG2 4.2Å; H62-S87 PolarHBondContact CE1-O 2.91Å; H62-Q89 PolarHBondContact NE2-O 3.32Å; H62-N91 CarbonylContact C-O 3.56Å; H62-N91 WeakPolarHBondContact CA-O 3.14Å; H62-Y92 HydrophobicContact CB-CD1 4.13Å; H62-Y92 HydrophobicContact CB-CE1 3.76Å; H62-Y92 AromaticContact CD2-CE1 3.88Å; H62-Y92 AromaticContact CD2-CE2 3.52Å; H62-Y92 AromaticContact CD2-CZ 3.41Å; H62-Y92 VanDerWaalsContact CD2-CZ 3.41Å; H62-Y92 AromaticContact CG-CE1 3.86Å; H62-Y92 AromaticContact CG-CZ 3.75Å; H62-Y92 AromaticContact NE2-CE2 3.89Å; H62-Y92 AromaticContact NE2-CZ 3.83Å
63N90.7Very high80.8Confident79 Ų7983.8 Ų83.842%0.42246%0.455SS..THydrogen-bonded Turntrans47.547.3-175.4-62.3-31.7000112.4S65 G90 N91N63-S65 PolarHBondContact O-N 2.91Å; N63-S65 VanDerWaalsContact O-N 3.11Å; N63-G90 WeakPolarHBondContact OD1-CA 3.3Å; N63-N91 PolarHBondContact N-O 3.36Å; N63-N91 PolarHBondContact OD1-N 2.83Å
64H85.4Confident82.3Confident139 Ų13976.6 Ų76.664%0.64442%0.424SS*.THydrogen-bonded Turntrans65.41.9-176.5-48.3-77.3000116.3H62H62-H64 PolarHBondContact O-N 2.86Å
65S87.4Confident83.4Confident74 Ų7484.4 Ų84.452%0.51746%0.456SS..EExtended strand (participates in β ladder)trans-106.7171.8176.7-58.20000111.7R61 H62 N63R61-S65 CarbonylContact C-O 3.59Å; R61-S65 WeakPolarHBondContact CA-O 3.11Å; R61-S65 WeakPolarHBondContact CB-O 3.35Å; H62-S65 PolarHBondContact N-O 3.41Å; H62-S65 WeakPolarHBondContact O-CA 3.4Å; H62-S65 WeakPolarHBondContact O-CB 3.37Å; H62-S65 PolarHBondContact O-N 3.19Å; N63-S65 PolarHBondContact O-N 2.91Å; N63-S65 VanDerWaalsContact O-N 3.11Å
66S84.4Confident84.5Confident106 Ų10683.4 Ų83.474%0.74144%0.443SS*.EExtended strand (participates in β ladder)trans-64.2143.3171.954.10000111.2
67V84Confident85.5Confident16 Ų1680.6 Ų80.610%0.09743%0.426CS..PPolyproline II helixtrans-64.4140.6175.7-175.20000110.4W60 H62 H71 L79 L81 Y92W60-V67 HydrophobicContact CB-CG2 3.78Å; H62-V67 HydrophobicContact CB-CG2 4.2Å; V67-H71 HydrophobicContact CG1-CB 4.03Å; V67-L79 HydrophobicContact CG1-CD1 4.43Å; V67-L79 HydrophobicContact CG1-CD2 4.27Å; V67-L79 HydrophobicContact CG2-CD2 4.15Å; V67-L81 HydrophobicContact CG1-CD2 3.86Å; V67-Y92 HydrophobicContact CG1-CE1 4.38Å; V67-Y92 HydrophobicContact CG2-CE1 4.45Å
68S78.6Confident86.2Confident78 Ų7877.3 Ų77.355%0.54541%0.405SS..PPolyproline II helixtrans-55.2157.2178.2-1780000113W70 H71S68-W70 PolarHBondContact O-N 3.44Å; S68-H71 PolarHBondContact O-CE1 3Å; S68-H71 PolarHBondContact O-ND1 2.91Å
69S70.6Confident86.4Confident98 Ų9876.6 Ų76.669%0.68540%0.401SS*.SBendtrans-58.2-21-170.653.30000116.4H71S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 2.96Å
70W80.3Confident86.6Confident193 Ų19373.8 Ų73.873%0.73138%0.384SS*.SBendtrans-92.556.9-174.4-56.499.1000113S68 F82S68-W70 PolarHBondContact O-N 3.44Å; W70-F82 PolarHBondContact O-N 2.88Å
71H88.9Confident86.7Confident68 Ų6873.6 Ų73.632%0.31538%0.384SS..EExtended strand (participates in β ladder)trans-138.9162.7178.974.1-80.3000112.8V67 S68 S69 L79 V80 L81V67-H71 HydrophobicContact CG1-CB 4.03Å; S68-H71 PolarHBondContact O-CE1 3Å; S68-H71 PolarHBondContact O-ND1 2.91Å; S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 2.96Å; H71-L79 HydrophobicContact CB-CD1 3.81Å; H71-L79 VanDerWaalsContact CD2-CD1 3.49Å; H71-L79 WeakPolarHBondContact CD2-CD1 3.23Å; H71-V80 CarbonylContact C-O 3.53Å; H71-V80 WeakPolarHBondContact CA-O 3.39Å; H71-V80 WeakPolarHBondContact CB-O 3.23Å; H71-L81 HydrophobicContact CB-CD2 3.86Å
72Q89.3Confident86.7Confident108 Ų10871.8 Ų71.851%0.50538%0.379SS..EExtended strand (participates in β ladder)trans-136.6130.1169.5179.8177.50.400109.4V80 F82Q72-V80 PolarHBondContact N-O 2.83Å; Q72-V80 PolarHBondContact O-N 3.35Å; Q72-F82 HydrophobicContact CB-CE2 3.75Å; Q72-F82 HydrophobicContact CB-CZ 3.89Å
73V88.4Confident86.7Confident57 Ų5776.7 Ų76.735%0.34541%0.405SS..EExtended strand (participates in β ladder)trans-92123168.7-174.50000108.3V58 S78 L79V58-V73 HydrophobicContact CG2-CG1 4.23Å; V73-S78 CarbonylContact C-O 3.57Å; V73-S78 WeakPolarHBondContact CA-O 3.26Å; V73-L79 HydrophobicContact CG2-CD1 4Å
74T86.9Confident86.8Confident41 Ų4173.1 Ų73.125%0.25239%0.387SS..  trans-82163.2-179.949.20000111.1N76 G77 S78 V80T74-N76 VanDerWaalsContact CB-OD1 3.29Å; T74-N76 WeakPolarHBondContact CB-OD1 3.4Å; T74-N76 PolarHBondContact O-N 2.86Å; T74-N76 PolarHBondContact OG1-OD1 2.88Å; T74-G77 PolarHBondContact O-N 3.39Å; T74-S78 PolarHBondContact N-O 3.12Å; T74-S78 VanDerWaalsContact OG1-CB 3.28Å; T74-S78 WeakPolarHBondContact OG1-CB 3.08Å; T74-S78 PolarHBondContact OG1-N 2.87Å; T74-S78 PolarHBondContact OG1-O 2.97Å; T74-V80 HydrophobicContact CG2-CG2 3.89Å
75F81.8Confident87.1Confident215 Ų21570.8 Ų70.894%0.94338%0.379SS*.THydrogen-bonded Turntrans-59.1-22.1-178.4-68.3-76.4000114.9G77F75-G77 VanDerWaalsContact C-N 3.3Å
76N83.2Confident87.3Confident89 Ų8972.7 Ų72.748%0.47638%0.38SS..THydrogen-bonded Turntrans-91.415.1174.769.7-20.9000113T74 S78T74-N76 VanDerWaalsContact CB-OD1 3.29Å; T74-N76 WeakPolarHBondContact CB-OD1 3.4Å; T74-N76 PolarHBondContact O-N 2.86Å; T74-N76 PolarHBondContact OG1-OD1 2.88Å; N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact ND2-OG 3.29Å; N76-S78 PolarHBondContact O-N 2.86Å; N76-S78 PolarHBondContact OD1-N 2.98Å; N76-S78 PolarHBondContact OD1-OG 3.01Å
77G85.6Confident87.6Confident3 Ų371.8 Ų71.83%0.03137%0.374CS..SBendtrans749177.300000116V58 W60 T74 F75V58-G77 VanDerWaalsContact CG2-O 3.27Å; V58-G77 WeakPolarHBondContact CG2-O 3.42Å; W60-G77 PolarHBondContact NE1-O 2.52Å; T74-G77 PolarHBondContact O-N 3.39Å; F75-G77 VanDerWaalsContact C-N 3.3Å
78S89.6Confident88Confident13 Ų1371.7 Ų71.79%0.09137%0.374CS..PPolyproline II helixtrans-78.5146.4175.9-51.50000111.2L47 V73 T74 N76L47-S78 CarbonylContact O-C 3.51Å; L47-S78 VanDerWaalsContact O-CA 3.25Å; L47-S78 WeakPolarHBondContact O-CA 3.31Å; L47-S78 WeakPolarHBondContact O-CB 3.44Å; V73-S78 CarbonylContact C-O 3.57Å; V73-S78 WeakPolarHBondContact CA-O 3.26Å; T74-S78 PolarHBondContact N-O 3.12Å; T74-S78 VanDerWaalsContact OG1-CB 3.28Å; T74-S78 WeakPolarHBondContact OG1-CB 3.08Å; T74-S78 PolarHBondContact OG1-N 2.87Å; T74-S78 PolarHBondContact OG1-O 2.97Å; N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact ND2-OG 3.29Å; N76-S78 PolarHBondContact O-N 2.86Å; N76-S78 PolarHBondContact OD1-N 2.98Å; N76-S78 PolarHBondContact OD1-OG 3.01Å
79L91.9Very high88.7Confident0 Ų070.3 Ų70.30%036%0.359CS..EExtended strand (participates in β ladder)trans-100.5117177.2179.367000109.9T46 L47 W60 V67 H71 V73 L81 Y92T46-L79 CarbonylContact C-O 3.57Å; T46-L79 VanDerWaalsContact CA-O 3.29Å; T46-L79 WeakPolarHBondContact CA-O 3.39Å; L47-L79 HydrophobicContact CB-CB 4.37Å; L47-L79 HydrophobicContact CD1-CD2 4.3Å; L47-L79 PolarHBondContact N-O 3.31Å; L47-L79 PolarHBondContact O-N 3.07Å; W60-L79 HydrophobicContact CB-CD1 4.41Å; W60-L79 HydrophobicContact CB-CD2 4.08Å; W60-L79 HydrophobicContact CD2-CB 3.8Å; W60-L79 HydrophobicContact CD2-CD2 3.95Å; W60-L79 HydrophobicContact CD2-CG 4.43Å; W60-L79 HydrophobicContact CE3-CB 4.48Å; W60-L79 HydrophobicContact CE3-CD2 4.11Å; W60-L79 HydrophobicContact CG-CB 3.95Å; W60-L79 HydrophobicContact CG-CD1 4.29Å; W60-L79 HydrophobicContact CG-CD2 3.96Å; W60-L79 HydrophobicContact CG-CG 4.3Å; W60-L79 HydrophobicContact CZ2-CB 4.09Å; V67-L79 HydrophobicContact CG1-CD1 4.43Å; V67-L79 HydrophobicContact CG1-CD2 4.27Å; V67-L79 HydrophobicContact CG2-CD2 4.15Å; H71-L79 HydrophobicContact CB-CD1 3.81Å; H71-L79 VanDerWaalsContact CD2-CD1 3.49Å; H71-L79 WeakPolarHBondContact CD2-CD1 3.23Å; V73-L79 HydrophobicContact CG2-CD1 4Å; L79-L81 HydrophobicContact CD1-CD2 4.4Å; L79-L81 HydrophobicContact CD2-CD2 3.95Å; L79-L81 HydrophobicContact CD2-CG 4.32Å; L79-L81 HydrophobicContact CG-CD2 4.03Å; L79-L81 HydrophobicContact CG-CG 4.26Å; L79-Y92 HydrophobicContact CD2-CD1 3.6Å; L79-Y92 HydrophobicContact CD2-CE1 3.83Å
80V93.7Very high89.8Confident20 Ų2066.4 Ų66.412%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-97.9118.9171.8-174.40000108.5T46 H71 Q72 T74 F82T46-V80 HydrophobicContact CG2-CG2 4.05Å; H71-V80 CarbonylContact C-O 3.53Å; H71-V80 WeakPolarHBondContact CA-O 3.39Å; H71-V80 WeakPolarHBondContact CB-O 3.23Å; Q72-V80 PolarHBondContact N-O 2.83Å; Q72-V80 PolarHBondContact O-N 3.35Å; T74-V80 HydrophobicContact CG2-CG2 3.89Å; V80-F82 HydrophobicContact CB-CZ 4.48Å; V80-F82 HydrophobicContact CG1-CD1 4.19Å; V80-F82 HydrophobicContact CG1-CE1 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.98Å
81L94.2Very high90.5Very high10 Ų1059.1 Ų59.15%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-100.4127.1172.6-58.5171.5000108.4N44 V45 L47 V67 H71 L79 V84 Y92 L107N44-L81 CarbonylContact C-O 3.58Å; N44-L81 VanDerWaalsContact CA-O 3.25Å; N44-L81 WeakPolarHBondContact CA-O 3.46Å; V45-L81 PolarHBondContact N-O 2.77Å; V45-L81 PolarHBondContact O-N 2.83Å; L47-L81 HydrophobicContact CD1-CD1 4.4Å; V67-L81 HydrophobicContact CG1-CD2 3.86Å; H71-L81 HydrophobicContact CB-CD2 3.86Å; L79-L81 HydrophobicContact CD1-CD2 4.4Å; L79-L81 HydrophobicContact CD2-CD2 3.95Å; L79-L81 HydrophobicContact CD2-CG 4.32Å; L79-L81 HydrophobicContact CG-CD2 4.03Å; L79-L81 HydrophobicContact CG-CG 4.26Å; L81-V84 HydrophobicContact CB-CG1 3.42Å; L81-V84 VanDerWaalsContact CB-CG1 3.42Å; L81-V84 HydrophobicContact CD1-CG1 4.31Å; L81-Y92 HydrophobicContact CD1-CE1 3.93Å; L81-Y92 HydrophobicContact CD1-CE2 4.39Å; L81-Y92 WeakPolarHBondContact CD1-OH 3.41Å; L81-Y92 HydrophobicContact CD2-CE1 4.31Å; L81-L107 HydrophobicContact CD1-CD2 3.72Å
82F93.5Very high90.7Very high74 Ų7456 Ų5633%0.32530%0.295SS..PPolyproline II helixtrans-93.3137.1-177.4-60.7-70.2000111.7N44 W70 Q72 V80 V84N44-F82 WeakPolarHBondContact OD1-CA 3.33Å; W70-F82 PolarHBondContact O-N 2.88Å; Q72-F82 HydrophobicContact CB-CE2 3.75Å; Q72-F82 HydrophobicContact CB-CZ 3.89Å; V80-F82 HydrophobicContact CB-CZ 4.48Å; V80-F82 HydrophobicContact CG1-CD1 4.19Å; V80-F82 HydrophobicContact CG1-CE1 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.98Å; F82-V84 PolarHBondContact O-N 2.92Å
83L92.1Very high90.9Very high129 Ų12951.2 Ų51.268%0.67527%0.273SS*.SBendtrans44.656174-64172.7000113.2S43 N44S43-L83 WeakPolarHBondContact O-CA 3.47Å; S43-L83 PolarHBondContact O-N 2.89Å; N44-L83 PolarHBondContact OD1-N 2.82Å
84V92.8Very high91Very high5 Ų548.5 Ų48.53%0.0326%0.257CS..  trans-64.9137.1-171-600000112.5R40 E42 S43 V45 L81 F82 A88 L109R40-V84 WeakPolarHBondContact O-CG2 3.32Å; E42-V84 PolarHBondContact N-O 3.14Å; S43-V84 WeakPolarHBondContact O-CG2 3.3Å; S43-V84 PolarHBondContact O-N 2.92Å; V45-V84 HydrophobicContact CB-CG1 4.31Å; V45-V84 HydrophobicContact CG2-CG1 4.27Å; V45-V84 HydrophobicContact CG2-CG2 3.69Å; L81-V84 HydrophobicContact CB-CG1 3.42Å; L81-V84 VanDerWaalsContact CB-CG1 3.42Å; L81-V84 HydrophobicContact CD1-CG1 4.31Å; F82-V84 PolarHBondContact O-N 2.92Å; V84-A88 HydrophobicContact CB-CB 4.01Å; V84-A88 HydrophobicContact CG1-CB 4.2Å; V84-L109 HydrophobicContact CB-CD1 3.86Å; V84-L109 HydrophobicContact CG2-CD1 3.69Å; V84-L109 HydrophobicContact CG2-CD2 3.67Å; V84-L109 HydrophobicContact CG2-CG 4.31Å
85D92.4Very high91.1Very high89 Ų8948.3 Ų48.348%0.47625%0.252SS..  trans-109.4-171.3171.371.65.5000110.6L41 S87 A88 L109L41-D85 VanDerWaalsContact CD2-C 3.45Å; D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 2.91Å; D85-S87 PolarHBondContact OD1-OG 3.12Å; D85-A88 PolarHBondContact O-N 3.08Å; D85-A88 PolarHBondContact OD1-N 2.9Å; D85-L109 WeakPolarHBondContact O-CD1 3.15Å
86Q91Very high91.3Very high114 Ų11439.7 Ų39.753%0.53322%0.216SC..G310 helixtrans-64.8-22.7-179.8-65-176.528.700113.6L41 A88 Q89L41-Q86 HydrophobicContact CD1-CG 4.43Å; L41-Q86 HydrophobicContact CD2-CG 4.1Å; Q86-A88 VanDerWaalsContact C-N 3.27Å; Q86-A88 PolarHBondContact O-N 2.86Å; Q86-Q89 PolarHBondContact O-N 3.07Å
87S90.9Very high91.3Very high88 Ų8841 Ų4162%0.61522%0.223SC*.G310 helixtrans-71.4-23.5-179.178.40000112.7H62 D85 Q89H62-S87 PolarHBondContact CE1-O 2.91Å; D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 2.91Å; D85-S87 PolarHBondContact OD1-OG 3.12Å; S87-Q89 PolarHBondContact O-N 2.77Å
88A92Very high91.3Very high13 Ų1345.7 Ų45.711%0.10726%0.255CS..G310 helixtrans-75-0.8175.400000113.4V84 D85 Q86 Y92 L109V84-A88 HydrophobicContact CB-CB 4.01Å; V84-A88 HydrophobicContact CG1-CB 4.2Å; D85-A88 PolarHBondContact O-N 3.08Å; D85-A88 PolarHBondContact OD1-N 2.9Å; Q86-A88 VanDerWaalsContact C-N 3.27Å; Q86-A88 PolarHBondContact O-N 2.86Å; A88-Y92 VanDerWaalsContact O-CE2 3.29Å; A88-Y92 WeakPolarHBondContact O-CE2 3.23Å; A88-Y92 PolarHBondContact O-OH 2.95Å; A88-L109 HydrophobicContact CB-CD1 3.93Å
89Q93.6Very high91Very high50 Ų5047.4 Ų47.423%0.23427%0.274CS..  trans-71.9146.7172.8-66.9-170.458.800111.3H62 Q86 S87 L109H62-Q89 PolarHBondContact NE2-O 3.32Å; Q86-Q89 PolarHBondContact O-N 3.07Å; S87-Q89 PolarHBondContact O-N 2.77Å; Q89-L109 HydrophobicContact CG-CB 3.83Å; Q89-L109 HydrophobicContact CG-CD1 3.93Å; Q89-L109 HydrophobicContact CG-CG 3.87Å
90G93.4Very high90.8Very high16 Ų1652.5 Ų52.517%0.16530%0.301CS..EExtended strand (participates in β ladder)trans145.4-167.9175.800000113.5N63 I106 L107N63-G90 WeakPolarHBondContact OD1-CA 3.3Å; G90-I106 WeakPolarHBondContact O-CA 3.42Å; G90-L107 PolarHBondContact N-O 3.32Å; G90-L107 PolarHBondContact O-N 3.03Å
91N95.1Very high90.6Very high39 Ų3955.6 Ų55.621%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-88.8125.9178.2-171.49000110.1H62 N63 S104 V105H62-N91 CarbonylContact C-O 3.56Å; H62-N91 WeakPolarHBondContact CA-O 3.14Å; N63-N91 PolarHBondContact N-O 3.36Å; N63-N91 PolarHBondContact OD1-N 2.83Å; N91-S104 PolarHBondContact ND2-OG 2.78Å; N91-S104 PolarHBondContact OD1-OG 3.33Å; N91-V105 PolarHBondContact OD1-O 3.24Å
92Y93.5Very high90.3Very high4 Ų457.4 Ų57.42%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-111.3123.9173.9-72.7-95.3000109.1L47 R61 H62 V67 L79 L81 A88 S104 V105 L107L47-Y92 HydrophobicContact CD1-CD1 3.79Å; L47-Y92 HydrophobicContact CD1-CD2 3.69Å; L47-Y92 HydrophobicContact CD1-CE1 4.34Å; L47-Y92 HydrophobicContact CD1-CE2 4.26Å; L47-Y92 HydrophobicContact CD1-CG 3.42Å; L47-Y92 VanDerWaalsContact CD1-CG 3.42Å; R61-Y92 WeakPolarHBondContact O-CA 3.25Å; H62-Y92 HydrophobicContact CB-CD1 4.13Å; H62-Y92 HydrophobicContact CB-CE1 3.76Å; H62-Y92 AromaticContact CD2-CE1 3.88Å; H62-Y92 AromaticContact CD2-CE2 3.52Å; H62-Y92 AromaticContact CD2-CZ 3.41Å; H62-Y92 VanDerWaalsContact CD2-CZ 3.41Å; H62-Y92 AromaticContact CG-CE1 3.86Å; H62-Y92 AromaticContact CG-CZ 3.75Å; H62-Y92 AromaticContact NE2-CE2 3.89Å; H62-Y92 AromaticContact NE2-CZ 3.83Å; V67-Y92 HydrophobicContact CG1-CE1 4.38Å; V67-Y92 HydrophobicContact CG2-CE1 4.45Å; L79-Y92 HydrophobicContact CD2-CD1 3.6Å; L79-Y92 HydrophobicContact CD2-CE1 3.83Å; L81-Y92 HydrophobicContact CD1-CE1 3.93Å; L81-Y92 HydrophobicContact CD1-CE2 4.39Å; L81-Y92 WeakPolarHBondContact CD1-OH 3.41Å; L81-Y92 HydrophobicContact CD2-CE1 4.31Å; A88-Y92 VanDerWaalsContact O-CE2 3.29Å; A88-Y92 WeakPolarHBondContact O-CE2 3.23Å; A88-Y92 PolarHBondContact O-OH 2.95Å; Y92-S104 CarbonylContact O-C 3.58Å; Y92-S104 WeakPolarHBondContact O-CA 3.43Å; Y92-V105 PolarHBondContact N-O 3.37Å; Y92-V105 PolarHBondContact O-N 3.38Å; Y92-L107 HydrophobicContact CD2-CB 3.84Å; Y92-L107 HydrophobicContact CE2-CB 3.76Å; Y92-L107 HydrophobicContact CE2-CD2 3.89Å; Y92-L107 HydrophobicContact CE2-CG 4.45Å
93S92.6Very high90.1Very high6 Ų654.6 Ų54.64%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-123.1132.6-180-52.80000109.5W60 R61 H103 S104W60-S93 CarbonylContact C-O 3.55Å; W60-S93 WeakPolarHBondContact CA-O 3.38Å; R61-S93 PolarHBondContact N-O 2.69Å; R61-S93 PolarHBondContact O-N 3.22Å; S93-H103 WeakPolarHBondContact CA-O 3.2Å; S93-S104 PolarHBondContact OG-OG 2.99Å
94C90.3Very high90.1Very high0 Ų049.2 Ų49.20%029%0.287CS..EExtended strand (participates in β ladder)trans-105.8138.9174.163.70000110.8C49 V59 W60 L102 H103C49-C94 WeakPolarHBondContact CA-SG 3.44Å; C49-C94 HydrophobicContact CB-CB 3.81Å; C49-C94 WeakPolarHBondContact CB-SG 3.47Å; C49-C94 WeakPolarHBondContact SG-CB 3.15Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.14Å; V59-C94 WeakPolarHBondContact O-CA 3.47Å; W60-C94 HydrophobicContact CD2-CB 3.77Å; W60-C94 HydrophobicContact CE3-CB 3.88Å; W60-C94 HydrophobicContact CG-CB 4.43Å; W60-C94 HydrophobicContact CH2-CB 3.95Å; W60-C94 HydrophobicContact CZ2-CB 3.83Å; W60-C94 HydrophobicContact CZ3-CB 3.95Å; C94-L102 PolarHBondContact O-N 3.48Å; C94-H103 PolarHBondContact N-O 3.19Å
95Y89Confident90.1Very high38 Ų3849.2 Ų49.215%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-124.7149.5-178.3-59.4-97.8000110.1V58 V59 R61 G99 L100 L101V58-Y95 WeakPolarHBondContact CA-O 3.14Å; V59-Y95 PolarHBondContact N-O 3.47Å; V59-Y95 PolarHBondContact O-N 3.38Å; R61-Y95 HydrophobicContact CB-CE2 4.16Å; R61-Y95 HydrophobicContact CG-CD2 4.18Å; R61-Y95 HydrophobicContact CG-CE2 3.93Å; Y95-G99 WeakPolarHBondContact CD1-O 3.28Å; Y95-L100 WeakPolarHBondContact CA-O 3.47Å; Y95-L101 HydrophobicContact CD1-CB 4.11Å; Y95-L101 HydrophobicContact CD1-CD1 4.34Å; Y95-L101 HydrophobicContact CE1-CB 3.85Å; Y95-L101 HydrophobicContact CE1-CD1 3.85Å; Y95-L101 HydrophobicContact CE1-CG 4.45Å; Y95-L101 HydrophobicContact CE2-CD1 4.29Å
96D86.8Confident90.2Very high34 Ų3447.2 Ų47.218%0.18228%0.276CS..  trans-79.5177.2168.970.814.6000112.2S98 G99 L100 L102D96-S98 VanDerWaalsContact CG-OG 3.27Å; D96-S98 PolarHBondContact O-N 2.84Å; D96-S98 VanDerWaalsContact OD1-CA 3.31Å; D96-S98 WeakPolarHBondContact OD1-CA 3.39Å; D96-S98 WeakPolarHBondContact OD1-CB 3.39Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 2.81Å; D96-S98 PolarHBondContact OD2-OG 3.11Å; D96-G99 PolarHBondContact O-N 2.75Å; D96-G99 PolarHBondContact OD1-N 3.07Å; D96-L100 PolarHBondContact N-O 2.88Å; D96-L100 WeakPolarHBondContact OD1-CB 3.27Å; D96-L100 PolarHBondContact OD1-N 2.68Å; D96-L100 WeakPolarHBondContact OD2-CB 3.43Å; D96-L102 HydrophobicContact CB-CD1 3.98Å; D96-L102 HydrophobicContact CB-CD2 4.12Å; D96-L102 HydrophobicContact CB-CG 4.12Å
97D83.2Confident90.4Very high117 Ų11741.8 Ų41.863%0.62625%0.251SS*.THydrogen-bonded Turntrans-60.1-23177.5-70-22.7000113.9P57 G99P57-D97 WeakPolarHBondContact CG-OD1 3.47Å; P57-D97 WeakPolarHBondContact CG-OD2 3.13Å; D97-G99 VanDerWaalsContact C-N 3.3Å
98S85.5Confident90.6Very high100 Ų10043.8 Ų43.870%0.69925%0.245SC*.THydrogen-bonded Turntrans-84.6-7.3177.279.80000112.9D96D96-S98 VanDerWaalsContact CG-OG 3.27Å; D96-S98 PolarHBondContact O-N 2.84Å; D96-S98 VanDerWaalsContact OD1-CA 3.31Å; D96-S98 WeakPolarHBondContact OD1-CA 3.39Å; D96-S98 WeakPolarHBondContact OD1-CB 3.39Å; D96-S98 PolarHBondContact OD1-N 2.88Å; D96-S98 PolarHBondContact OD1-OG 2.81Å; D96-S98 PolarHBondContact OD2-OG 3.11Å
99G84.4Confident90.8Very high49 Ų4943.2 Ų43.251%0.50524%0.239SC..  trans8313.2-175.800000113.9Y95 D96 D97Y95-G99 WeakPolarHBondContact CD1-O 3.28Å; D96-G99 PolarHBondContact O-N 2.75Å; D96-G99 PolarHBondContact OD1-N 3.07Å; D97-G99 VanDerWaalsContact C-N 3.3Å
100L87.4Confident90.8Very high107 Ų10740.8 Ų40.856%0.5623%0.228SC*.  trans-74.6132.8173.6-177.267.5000109.7Y95 D96 L102Y95-L100 WeakPolarHBondContact CA-O 3.47Å; D96-L100 PolarHBondContact N-O 2.88Å; D96-L100 WeakPolarHBondContact OD1-CB 3.27Å; D96-L100 PolarHBondContact OD1-N 2.68Å; D96-L100 WeakPolarHBondContact OD2-CB 3.43Å; L100-L102 PolarHBondContact O-N 3.21Å
101L89Confident90.9Very high86 Ų8642.7 Ų42.745%0.4523%0.231SC..EExtended strand (participates in β ladder)trans-68119.1173.5177.167000109.3Y95Y95-L101 HydrophobicContact CD1-CB 4.11Å; Y95-L101 HydrophobicContact CD1-CD1 4.34Å; Y95-L101 HydrophobicContact CE1-CB 3.85Å; Y95-L101 HydrophobicContact CE1-CD1 3.85Å; Y95-L101 HydrophobicContact CE1-CG 4.45Å; Y95-L101 HydrophobicContact CE2-CD1 4.29Å
102L88.7Confident90.9Very high47 Ų4743 Ų4325%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-91.6-41.5179.2-65178.4000112.3V58 C94 D96 L100V58-L102 HydrophobicContact CG1-CD1 3.7Å; C94-L102 PolarHBondContact O-N 3.48Å; D96-L102 HydrophobicContact CB-CD1 3.98Å; D96-L102 HydrophobicContact CB-CD2 4.12Å; D96-L102 HydrophobicContact CB-CG 4.12Å; L100-L102 PolarHBondContact O-N 3.21Å
103H89.4Confident91Very high16 Ų1643.5 Ų43.57%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-162.6155179.7-170.962.5000111E32 D35 S93 C94E32-H103 IonicContact OE1-ND1 2.87Å; E32-H103 PolarHBondContact OE1-ND1 2.87Å; D35-H103 IonicContact OD2-CE1 3.67Å; D35-H103 PolarHBondContact OD2-CE1 2.87Å; D35-H103 IonicContact OD2-NE2 3.86Å; S93-H103 WeakPolarHBondContact CA-O 3.2Å; C94-H103 PolarHBondContact N-O 3.19Å
104S91.3Very high91.1Very high16 Ų1644.2 Ų44.211%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-136.8131.9175.1-151.40000110.9D35 N91 Y92 S93D35-S104 PolarHBondContact N-O 3.35Å; N91-S104 PolarHBondContact ND2-OG 2.78Å; N91-S104 PolarHBondContact OD1-OG 3.33Å; Y92-S104 CarbonylContact O-C 3.58Å; Y92-S104 WeakPolarHBondContact O-CA 3.43Å; S93-S104 PolarHBondContact OG-OG 2.99Å
105V92.8Very high91.3Very high4 Ų449.3 Ų49.32%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-133135.6-177.965.10000110.7D35 Q37 L47 W60 N91 Y92D35-V105 HydrophobicContact CB-CG2 4.47Å; D35-V105 CarbonylContact O-C 3.48Å; D35-V105 VanDerWaalsContact O-CA 3.29Å; D35-V105 WeakPolarHBondContact O-CA 3.29Å; D35-V105 VanDerWaalsContact O-CG2 3.3Å; D35-V105 WeakPolarHBondContact O-CG2 3.24Å; Q37-V105 HydrophobicContact CB-CG2 3.57Å; L47-V105 HydrophobicContact CB-CG1 4.36Å; L47-V105 HydrophobicContact CD1-CG1 4.04Å; L47-V105 HydrophobicContact CD2-CG1 4.4Å; W60-V105 HydrophobicContact CZ3-CG1 4.38Å; N91-V105 PolarHBondContact OD1-O 3.24Å; Y92-V105 PolarHBondContact N-O 3.37Å; Y92-V105 PolarHBondContact O-N 3.38Å
106I94.1Very high91.6Very high48 Ų4848.1 Ų48.125%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-93.5113.7174.1-59.2174.1000108.4D35 V36 Q37 G90 R108D35-I106 PolarHBondContact O-N 2.82Å; V36-I106 WeakPolarHBondContact CA-O 3.43Å; V36-I106 HydrophobicContact CG2-CB 4.42Å; Q37-I106 PolarHBondContact N-O 2.87Å; G90-I106 WeakPolarHBondContact O-CA 3.42Å; I106-R108 HydrophobicContact CG2-CG 4.44Å
107L94.8Very high92Very high0 Ų050.4 Ų50.40%029%0.289CS..EExtended strand (participates in β ladder)trans-85120.9175.6-179.956.3000110.7Q37 V45 L47 L81 G90 Y92 L109Q37-L107 WeakPolarHBondContact O-CA 2.93Å; V45-L107 HydrophobicContact CG1-CD1 3.93Å; V45-L107 HydrophobicContact CG1-CD2 4.29Å; L47-L107 HydrophobicContact CD2-CD1 4.24Å; L47-L107 HydrophobicContact CD2-CD2 4.49Å; L81-L107 HydrophobicContact CD1-CD2 3.72Å; G90-L107 PolarHBondContact N-O 3.32Å; G90-L107 PolarHBondContact O-N 3.03Å; Y92-L107 HydrophobicContact CD2-CB 3.84Å; Y92-L107 HydrophobicContact CE2-CB 3.76Å; Y92-L107 HydrophobicContact CE2-CD2 3.89Å; Y92-L107 HydrophobicContact CE2-CG 4.45Å; L107-L109 HydrophobicContact CD1-CD2 3.78Å; L107-L109 HydrophobicContact CD1-CG 4.36Å; L107-L109 HydrophobicContact CD2-CD1 4.44Å; L107-L109 HydrophobicContact CD2-CD2 4.17Å; L107-L109 HydrophobicContact CD2-CG 4.4Å; L107-L109 HydrophobicContact CG-CD2 3.98Å; L107-L109 HydrophobicContact CG-CG 4.09Å
108R95.8Very high92.7Very high130 Ų13045.5 Ų45.549%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-113.4132.3171.1-64.8-64.4-173.8166.8-0.7109.8V36 Q37 F38 G39 I106 L140V36-R108 HydrophobicContact CG1-CG 3.94Å; Q37-R108 PolarHBondContact O-N 3.12Å; F38-R108 CarbonylContact C-O 3.6Å; F38-R108 WeakPolarHBondContact CA-O 3.33Å; F38-R108 HydrophobicContact CD1-CB 3.79Å; F38-R108 HydrophobicContact CE1-CB 3.95Å; F38-R108 HydrophobicContact CE1-CG 4.39Å; G39-R108 PolarHBondContact N-O 2.9Å; I106-R108 HydrophobicContact CG2-CG 4.44Å; R108-L140 HydrophobicContact CB-CD2 4.34Å
109L95.6Very high93.2Very high0 Ų043.4 Ų43.40%025%0.248CC..EExtended strand (participates in β ladder)trans-117.5144.5-174.1-63.6173.7000111.5G39 L41 V45 V84 D85 A88 Q89 L107G39-L109 WeakPolarHBondContact O-CA 3.21Å; L41-L109 HydrophobicContact CD2-CB 3.75Å; L41-L109 HydrophobicContact CD2-CD1 4.23Å; L41-L109 HydrophobicContact CG-CB 4.02Å; V45-L109 HydrophobicContact CG2-CD2 4.13Å; V84-L109 HydrophobicContact CB-CD1 3.86Å; V84-L109 HydrophobicContact CG2-CD1 3.69Å; V84-L109 HydrophobicContact CG2-CD2 3.67Å; V84-L109 HydrophobicContact CG2-CG 4.31Å; D85-L109 WeakPolarHBondContact O-CD1 3.15Å; A88-L109 HydrophobicContact CB-CD1 3.93Å; Q89-L109 HydrophobicContact CG-CB 3.83Å; Q89-L109 HydrophobicContact CG-CD1 3.93Å; Q89-L109 HydrophobicContact CG-CG 3.87Å; L107-L109 HydrophobicContact CD1-CD2 3.78Å; L107-L109 HydrophobicContact CD1-CG 4.36Å; L107-L109 HydrophobicContact CD2-CD1 4.44Å; L107-L109 HydrophobicContact CD2-CD2 4.17Å; L107-L109 HydrophobicContact CD2-CG 4.4Å; L107-L109 HydrophobicContact CG-CD2 3.98Å; L107-L109 HydrophobicContact CG-CG 4.09Å
110G95.4Very high93.7Very high0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-174.6-154.3173.100000113.3G39 R40 L41 T138 L191G39-G110 PolarHBondContact O-N 3.14Å; G39-G110 VanDerWaalsContact O-N 3.09Å; R40-G110 CarbonylContact C-O 3.55Å; R40-G110 VanDerWaalsContact CA-O 3.31Å; R40-G110 WeakPolarHBondContact CA-O 3.41Å; L41-G110 PolarHBondContact N-O 3.12Å; G110-T138 CarbonylContact C-O 3.58Å; G110-T138 WeakPolarHBondContact CA-O 3.35Å; G110-L191 WeakPolarHBondContact O-CD1 3.37Å
111Y95.1Very high94.1Very high55 Ų5545 Ų4522%0.21623%0.232CC..  trans-121.3151.4-179.8-61.4-74.8000111.2L41 E42 T138 F139 N189L41-Y111 HydrophobicContact CB-CD1 4.31Å; L41-Y111 HydrophobicContact CB-CE1 3.68Å; L41-Y111 HydrophobicContact CB-CE2 4.23Å; L41-Y111 HydrophobicContact CD1-CD2 4.05Å; L41-Y111 HydrophobicContact CD1-CE1 4.47Å; L41-Y111 HydrophobicContact CD1-CE2 3.49Å; L41-Y111 VanDerWaalsContact CD1-CE2 3.49Å; L41-Y111 HydrophobicContact CG-CE2 4.48Å; E42-Y111 PolarHBondContact OE1-OH 3.44Å; Y111-T138 PolarHBondContact N-O 3.22Å; Y111-T138 WeakPolarHBondContact O-CB 3.29Å; Y111-F139 AromaticContact CD2-CD2 4Å; Y111-F139 HydrophobicContact CD2-CD2 4Å; Y111-F139 HydrophobicContact CD2-CE2 4.17Å; Y111-F139 HydrophobicContact CE2-CD2 4.11Å; Y111-F139 AromaticContact CE2-CE2 3.95Å; Y111-F139 HydrophobicContact CE2-CE2 3.95Å; Y111-N189 PolarHBondContact O-ND2 3.44Å
112P94.6Very high94.5Very high47 Ų4740.9 Ų40.931%0.30521%0.211SC..  trans-63.4157.1169.728.9-35.3000110.9L191P112-L191 HydrophobicContact CB-CB 4.22Å
113P95.8Very high94.8Very high13 Ų1339.1 Ų39.18%0.08420%0.202CC..  trans-60.8144.2-179.6-24.337.9000112.6E187 N189 Q194P113-E187 HydrophobicContact CB-CB 4.05Å; P113-E187 HydrophobicContact CB-CG 3.86Å; P113-E187 HydrophobicContact CG-CG 4.1Å; P113-N189 WeakPolarHBondContact CD-OD1 3.39Å; P113-N189 HydrophobicContact CG-CB 4.18Å; P113-Q194 HydrophobicContact CB-CB 3.84Å; P113-Q194 WeakPolarHBondContact O-CB 3.42Å
114G93.8Very high95.1Very high21 Ų2138.7 Ų38.722%0.21620%0.2CC..  trans-103.5-173175.400000112.6Q194G114-Q194 VanDerWaalsContact O-CG 3.26Å; G114-Q194 WeakPolarHBondContact O-CG 3.45Å
115L95.2Very high95.2Very high107 Ų10738.4 Ų38.456%0.5620%0.197SC*.  trans-69.9141.5171.9-71.1172.3000110.7S135 Q194L115-S135 WeakPolarHBondContact O-CB 3.41Å; L115-S135 PolarHBondContact O-N 3.46Å; L115-S135 PolarHBondContact O-OG 2.89Å; L115-Q194 HydrophobicContact CD2-CG 4.34Å
116L95.4Very high95.1Very high14 Ų1440 Ų407%0.07321%0.207CC..EExtended strand (participates in β ladder)trans-99.7141179.4-62.6177.6000110.6I118 W132 D134 Y144 V185 E187 S196L116-I118 PolarHBondContact O-N 3.5Å; L116-W132 HydrophobicContact CB-CB 4.29Å; L116-W132 HydrophobicContact CD1-CG 4.14Å; L116-D134 HydrophobicContact CD2-CB 4.32Å; L116-D134 WeakPolarHBondContact CD2-OD1 3.46Å; L116-Y144 HydrophobicContact CD1-CD1 4.34Å; L116-Y144 HydrophobicContact CD1-CE1 4.15Å; L116-V185 HydrophobicContact CB-CG1 4.32Å; L116-V185 HydrophobicContact CD1-CB 4.39Å; L116-V185 HydrophobicContact CD1-CG1 3.69Å; L116-V185 HydrophobicContact CD1-CG2 3.82Å; L116-E187 HydrophobicContact CD1-CB 4.1Å; L116-S196 PolarHBondContact N-OG 3.49Å
117S95.6Very high95.1Very high82 Ų8241.5 Ų41.557%0.57321%0.212SC*.EExtended strand (participates in β ladder)trans-86.8106.7171.9-1740000109.7W132 K133S117-W132 CarbonylContact O-C 3.6Å; S117-W132 VanDerWaalsContact O-CA 3.22Å; S117-W132 WeakPolarHBondContact O-CA 3.22Å; S117-K133 PolarHBondContact N-O 2.8Å; S117-K133 PolarHBondContact O-N 2.7Å
118I96.4Very high95.1Very high13 Ų1341.5 Ų41.57%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-92.3134.9-176.6-59.8168.1000109.8L116 T131 W132 F183 V185 R198L116-I118 PolarHBondContact O-N 3.5Å; I118-T131 CarbonylContact C-O 3.57Å; I118-T131 WeakPolarHBondContact CA-O 3.48Å; I118-W132 HydrophobicContact CG1-CB 4.44Å; I118-F183 HydrophobicContact CD1-CD1 4.28Å; I118-F183 HydrophobicContact CG2-CD1 3.65Å; I118-F183 HydrophobicContact CG2-CE1 4.04Å; I118-V185 HydrophobicContact CD1-CG1 3.76Å; I118-V185 HydrophobicContact CG1-CG1 3.88Å; I118-R198 HydrophobicContact CB-CB 4.08Å; I118-R198 HydrophobicContact CD1-CB 4.04Å; I118-R198 HydrophobicContact CG2-CB 3.82Å; I118-R198 HydrophobicContact CG2-CG 4.4Å; I118-R198 PolarHBondContact O-NH1 2.7Å
119S96.2Very high95Very high57 Ų5739.3 Ų39.340%0.39920%0.204SC..EExtended strand (participates in β ladder)trans-132.7132171-174.40000111.1C130 T131S119-C130 CarbonylContact O-C 3.52Å; S119-C130 WeakPolarHBondContact O-CA 3.49Å; S119-T131 PolarHBondContact N-O 2.66Å; S119-T131 PolarHBondContact O-N 3.46Å; S119-T131 PolarHBondContact O-OG1 2.84Å
120C96.3Very high95.1Very high9 Ų939.3 Ų39.36%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-124.5147.5-178.1-57.90000111.7R129 C130 I200 L205C120-R129 CarbonylContact C-O 3.59Å; C120-R129 VanDerWaalsContact CA-O 3.25Å; C120-R129 WeakPolarHBondContact CA-O 3.08Å; C120-C130 HydrophobicContact CB-CB 4.16Å; C120-C130 WeakPolarHBondContact CB-SG 3.47Å; C120-C130 WeakPolarHBondContact SG-CB 3.43Å; C120-C130 CovalentContact SG-SG 2.05Å; C120-C130 PolarHBondContact SG-SG 3.22Å; C120-I200 HydrophobicContact CB-CD1 4.02Å; C120-I200 WeakPolarHBondContact SG-CD1 3.42Å; C120-L205 HydrophobicContact CB-CD1 4.34Å
121R95.8Very high95.1Very high179 Ų17942 Ų4268%0.67522%0.22SC*.EExtended strand (participates in β ladder)trans-129.8141.9175.7-66.1-172.3179.4-171.5-0.3109.7R129R121-R129 PolarHBondContact N-O 2.76Å; R121-R129 PolarHBondContact O-N 2.79Å
122V96.7Very high95.2Very high1 Ų139.7 Ų39.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-125.990.7-178.8-175.70000107.4N124 V128 F176 L202 L205 L206 K207V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 VanDerWaalsContact CG1-O 3.25Å; V122-N124 WeakPolarHBondContact CG1-O 3.36Å; V122-V128 HydrophobicContact CG2-CG1 4.19Å; V122-V128 HydrophobicContact CG2-CG2 4.27Å; V122-F176 HydrophobicContact CG1-CE2 4.18Å; V122-L202 HydrophobicContact CG2-CD2 3.7Å; V122-L205 HydrophobicContact CB-CB 4.3Å; V122-L205 HydrophobicContact CG2-CB 3.75Å; V122-L206 HydrophobicContact CG1-CB 4.42Å; V122-L206 HydrophobicContact CG1-CD1 4.02Å; V122-L206 CarbonylContact O-C 3.54Å; V122-L206 WeakPolarHBondContact O-CA 3.33Å; V122-K207 PolarHBondContact O-N 3.3Å
123P95.3Very high95.2Very high9 Ų945 Ų456%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-72.8-22.9-176.829-36.5000113.9F127 K207 W236P123-F127 WeakPolarHBondContact CD-O 3.46Å; P123-F127 HydrophobicContact CG-CB 4.15Å; P123-K207 WeakPolarHBondContact CA-O 3.1Å; P123-W236 VanDerWaalsContact O-CE3 3.28Å; P123-W236 VanDerWaalsContact O-CZ3 3.25Å; P123-W236 WeakPolarHBondContact O-CZ3 3.28Å
124N94.9Very high94.9Very high8 Ų846.4 Ų46.44%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-158.7-176.1-179.967.227.7000110.2V122 T126 F127 S235 W236V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 VanDerWaalsContact CG1-O 3.25Å; V122-N124 WeakPolarHBondContact CG1-O 3.36Å; N124-T126 VanDerWaalsContact C-N 3.32Å; N124-T126 PolarHBondContact O-N 2.87Å; N124-T126 PolarHBondContact OD1-N 3.07Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; N124-T126 VanDerWaalsContact OD1-OG1 3.12Å; N124-F127 WeakPolarHBondContact ND2-CD2 3.37Å; N124-F127 WeakPolarHBondContact OD1-CB 3.33Å; N124-F127 PolarHBondContact OD1-N 3.13Å; N124-S235 PolarHBondContact ND2-O 3.17Å; N124-W236 HydrophobicContact CB-CE3 3.92Å; N124-W236 HydrophobicContact CB-CZ3 4.07Å
125H93.1Very high94.4Very high9 Ų949.1 Ų49.14%0.04225%0.252CS..THydrogen-bonded Turntrans-69.7-21.5-179.5-64.494.4000115.2P174 F176 W177 W236 F242 D287H125-P174 WeakPolarHBondContact O-CG 3.32Å; H125-F176 HydrophobicContact CB-CD2 4.43Å; H125-F176 AromaticContact CD2-CD1 3.58Å; H125-F176 AromaticContact CD2-CE1 3.38Å; H125-F176 WeakPolarHBondContact CD2-CE1 3.38Å; H125-F176 AromaticContact CD2-CE2 3.85Å; H125-F176 AromaticContact CD2-CG 3.91Å; H125-F176 AromaticContact CD2-CZ 3.53Å; H125-F176 AromaticContact NE2-CE1 3.78Å; H125-F176 AromaticContact NE2-CZ 3.86Å; H125-W177 AromaticContact NE2-CH2 4Å; H125-W236 AromaticContact CE1-CH2 3.95Å; H125-W236 AromaticContact CE1-CZ2 3.96Å; H125-F242 AromaticContact CE1-CD1 3.56Å; H125-F242 AromaticContact CE1-CG 3.83Å; H125-F242 AromaticContact ND1-CD1 3.6Å; H125-F242 AromaticContact ND1-CG 3.52Å; H125-D287 IonicContact CE1-OD1 2.89Å; H125-D287 PolarHBondContact CE1-OD1 2.86Å; H125-D287 VanDerWaalsContact CE1-OD1 3.3Å; H125-D287 IonicContact CE1-OD2 3.47Å; H125-D287 IonicContact NE2-OD2 2.7Å; H125-D287 PolarHBondContact NE2-OD2 2.81Å
126T91.9Very high93.8Very high39 Ų3947.8 Ų47.824%0.23925%0.248CC..THydrogen-bonded Turntrans-105.6-6-171.755.90000113.6N124 E172 D173 P174N124-T126 VanDerWaalsContact C-N 3.32Å; N124-T126 PolarHBondContact O-N 2.87Å; N124-T126 PolarHBondContact OD1-N 3.07Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; N124-T126 VanDerWaalsContact OD1-OG1 3.12Å; T126-E172 CarbonylContact O-C 3.58Å; T126-E172 WeakPolarHBondContact O-CA 3.34Å; T126-D173 WeakPolarHBondContact CB-OD1 3.42Å; T126-D173 PolarHBondContact O-N 2.89Å; T126-P174 WeakPolarHBondContact O-CD 3.25Å
127F92.7Very high93.5Very high78 Ų7854.7 Ų54.734%0.34228%0.277SS..EExtended strand (participates in β ladder)trans-133.2132-176.5-74.7-87.6000112.9P123 N124 V170 E172P123-F127 WeakPolarHBondContact CD-O 3.46Å; P123-F127 HydrophobicContact CG-CB 4.15Å; N124-F127 WeakPolarHBondContact ND2-CD2 3.37Å; N124-F127 WeakPolarHBondContact OD1-CB 3.33Å; N124-F127 PolarHBondContact OD1-N 3.13Å; F127-V170 HydrophobicContact CD1-CG1 4.05Å; F127-V170 HydrophobicContact CE1-CG1 4.49Å; F127-E172 HydrophobicContact CD1-CG 4.2Å; F127-E172 HydrophobicContact CE1-CG 3.77Å
128V94.8Very high93.4Very high1 Ų151.1 Ų51.11%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-122.9131.8166.5-174.50000109.1V122 F148 V170 V171 P174 L202V122-V128 HydrophobicContact CG2-CG1 4.19Å; V122-V128 HydrophobicContact CG2-CG2 4.27Å; V128-F148 HydrophobicContact CG1-CE2 4.37Å; V128-F148 HydrophobicContact CG2-CZ 4.41Å; V128-V170 WeakPolarHBondContact O-CA 3.39Å; V128-V171 HydrophobicContact CB-CB 4.23Å; V128-V171 PolarHBondContact N-O 2.7Å; V128-V171 PolarHBondContact O-N 3.47Å; V128-P174 HydrophobicContact CG2-CB 3.93Å; V128-P174 HydrophobicContact CG2-CG 3.76Å; V128-L202 HydrophobicContact CG1-CD2 4.29Å; V128-L202 HydrophobicContact CG2-CD1 4.31Å; V128-L202 HydrophobicContact CG2-CD2 3.59Å
129R95.1Very high93.2Very high84 Ų8455.6 Ų55.632%0.31727%0.272SS..EExtended strand (participates in β ladder)trans-120.7114.6177.4-171.4-168.8-46.5102.3-0.8110C120 R121 R168 C169 V170C120-R129 CarbonylContact C-O 3.59Å; C120-R129 VanDerWaalsContact CA-O 3.25Å; C120-R129 WeakPolarHBondContact CA-O 3.08Å; R121-R129 PolarHBondContact N-O 2.76Å; R121-R129 PolarHBondContact O-N 2.79Å; R129-R168 HydrophobicContact CG-CG 4.15Å; R129-C169 WeakPolarHBondContact CA-O 3.49Å; R129-V170 HydrophobicContact CG-CG2 4.47Å
130C96.4Very high93Very high0 Ų053.6 Ų53.60%026%0.256CS..EExtended strand (participates in β ladder)trans-108.6145.5174.3-67.30000110.8S119 C120 R168 C169 F183S119-C130 CarbonylContact O-C 3.52Å; S119-C130 WeakPolarHBondContact O-CA 3.49Å; C120-C130 HydrophobicContact CB-CB 4.16Å; C120-C130 WeakPolarHBondContact CB-SG 3.47Å; C120-C130 WeakPolarHBondContact SG-CB 3.43Å; C120-C130 CovalentContact SG-SG 2.05Å; C120-C130 PolarHBondContact SG-SG 3.22Å; C130-R168 CarbonylContact O-C 3.6Å; C130-R168 WeakPolarHBondContact O-CA 3.48Å; C130-C169 HydrophobicContact CB-CB 4.45Å; C130-C169 PolarHBondContact N-O 3.22Å; C130-C169 PolarHBondContact O-N 2.87Å; C130-F183 HydrophobicContact CB-CD1 3.91Å; C130-F183 HydrophobicContact CB-CE1 3.66Å; C130-F183 HydrophobicContact CB-CE2 4.31Å; C130-F183 HydrophobicContact CB-CG 4.31Å; C130-F183 HydrophobicContact CB-CZ 3.88Å
131T96.9Very high92.8Very high56 Ų5658 Ų5834%0.34429%0.285SS..EExtended strand (participates in β ladder)trans-135.3153177.453.90000108.8I118 S119 R167 R168I118-T131 CarbonylContact C-O 3.57Å; I118-T131 WeakPolarHBondContact CA-O 3.48Å; S119-T131 PolarHBondContact N-O 2.66Å; S119-T131 PolarHBondContact O-N 3.46Å; S119-T131 PolarHBondContact O-OG1 2.84Å; T131-R167 VanDerWaalsContact CA-O 3.3Å; T131-R167 WeakPolarHBondContact CA-O 3.36Å; T131-R168 HydrophobicContact CG2-CB 4.13Å; T131-R168 HydrophobicContact CG2-CG 4.02Å
132W95.8Very high92.7Very high6 Ų650.9 Ų50.92%0.02326%0.264CS..EExtended strand (participates in β ladder)trans-137.9152.8176.755.593.4000112.9L116 S117 I118 Y144 T146 V162 R167 C169 F183 V185L116-W132 HydrophobicContact CB-CB 4.29Å; L116-W132 HydrophobicContact CD1-CG 4.14Å; S117-W132 CarbonylContact O-C 3.6Å; S117-W132 VanDerWaalsContact O-CA 3.22Å; S117-W132 WeakPolarHBondContact O-CA 3.22Å; I118-W132 HydrophobicContact CG1-CB 4.44Å; W132-Y144 HydrophobicContact CZ2-CD1 4.32Å; W132-Y144 HydrophobicContact CZ2-CD2 4.44Å; W132-Y144 AromaticContact CZ2-CG 3.97Å; W132-Y144 HydrophobicContact CZ2-CG 3.97Å; W132-Y144 AromaticContact NE1-CD1 3.31Å; W132-Y144 VanDerWaalsContact NE1-CD1 3.31Å; W132-Y144 AromaticContact NE1-CE1 3.39Å; W132-Y144 AromaticContact NE1-CG 3.73Å; W132-Y144 AromaticContact NE1-CZ 3.9Å; W132-T146 HydrophobicContact CH2-CG2 3.77Å; W132-T146 HydrophobicContact CZ2-CG2 4.42Å; W132-T146 HydrophobicContact CZ3-CG2 4.1Å; W132-V162 HydrophobicContact CH2-CG1 4.13Å; W132-V162 HydrophobicContact CZ2-CG1 4.32Å; W132-R167 HydrophobicContact CD2-CB 4.2Å; W132-R167 HydrophobicContact CG-CB 4.27Å; W132-R167 HydrophobicContact CZ2-CB 4.27Å; W132-R167 PolarHBondContact N-O 2.81Å; W132-R167 VanDerWaalsContact N-O 3.09Å; W132-R167 WeakPolarHBondContact O-CB 3.47Å; W132-C169 HydrophobicContact CH2-CB 4.03Å; W132-C169 HydrophobicContact CZ3-CB 3.59Å; W132-F183 HydrophobicContact CE3-CE1 4.21Å; W132-F183 HydrophobicContact CE3-CZ 4.3Å; W132-F183 HydrophobicContact CZ3-CE1 4.34Å; W132-F183 AromaticContact CZ3-CZ 3.96Å; W132-F183 HydrophobicContact CZ3-CZ 3.96Å; W132-V185 HydrophobicContact CD2-CG2 4Å; W132-V185 HydrophobicContact CE3-CG2 4.42Å; W132-V185 HydrophobicContact CG-CG1 4.43Å; W132-V185 HydrophobicContact CG-CG2 4.38Å; W132-V185 HydrophobicContact CZ2-CG2 4.14Å
133K94.2Very high92.5Very high159 Ų15959 Ų5969%0.69130%0.299SS*.EExtended strand (participates in β ladder)trans-125.3143.9175-63-176.5-180-177.60109.9S117S117-K133 PolarHBondContact N-O 2.8Å; S117-K133 PolarHBondContact O-N 2.7Å
134D89.4Confident92.4Very high43 Ų4360 Ų6023%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-69.6139.3175.5-48.8-21000109.4L116 V136 R167L116-D134 HydrophobicContact CD2-CB 4.32Å; L116-D134 WeakPolarHBondContact CD2-OD1 3.46Å; D134-V136 WeakPolarHBondContact CB-O 3.47Å; D134-R167 IonicContact OD1-CZ 3.31Å; D134-R167 VanDerWaalsContact OD1-CZ 3.25Å; D134-R167 IonicContact OD1-NE 2.68Å; D134-R167 IonicContact OD1-NH1 3.07Å; D134-R167 PolarHBondContact OD1-NH1 3Å; D134-R167 IonicContact OD1-NH2 2.75Å; D134-R167 PolarHBondContact OD1-NH2 3.36Å; D134-R167 IonicContact OD2-CZ 3.67Å; D134-R167 IonicContact OD2-NH1 2.89Å; D134-R167 PolarHBondContact OD2-NH1 3.46Å; D134-R167 IonicContact OD2-NH2 3.11Å; D134-R167 PolarHBondContact OD2-NH2 3.49Å
135S84.4Confident92.2Very high77 Ų7765.1 Ų65.154%0.53833%0.329SS..SBendtrans-77.6-27.1167.157.10000112.2L115L115-S135 WeakPolarHBondContact O-CB 3.41Å; L115-S135 PolarHBondContact O-N 3.46Å; L115-S135 PolarHBondContact O-OG 2.89Å
136V83.5Confident92.2Very high79 Ų7965.4 Ų65.448%0.47933%0.332SS..SBendtrans-138.2139.5-175.2-176.50000109.5D134 T138D134-V136 WeakPolarHBondContact CB-O 3.47Å; V136-T138 PolarHBondContact O-N 2.61Å
137K89Confident92.2Very high159 Ų15964.5 Ų64.569%0.69133%0.327SS*.  trans-75.6118.2172.6-70.1-172.8177.7-177.90109.9F139K137-F139 HydrophobicContact CB-CE1 4.4Å; K137-F139 HydrophobicContact CB-CE2 4.23Å; K137-F139 HydrophobicContact CB-CZ 4.09Å
138T91.9Very high92.2Very high8 Ų861 Ų615%0.04931%0.312CS..  trans-85.2-18.9-178.560.10000113.7G110 Y111 V136 L140G110-T138 CarbonylContact C-O 3.58Å; G110-T138 WeakPolarHBondContact CA-O 3.35Å; Y111-T138 PolarHBondContact N-O 3.22Å; Y111-T138 WeakPolarHBondContact O-CB 3.29Å; V136-T138 PolarHBondContact O-N 2.61Å; T138-L140 PolarHBondContact O-N 3.42Å; T138-L140 PolarHBondContact OG1-O 3.02Å
139F92.7Very high91.9Very high107 Ų10765.6 Ų65.647%0.46933%0.329SS..  trans59.28.3-174.1-54.5-76.5000115.3L41 Y111 K137L41-F139 HydrophobicContact CD1-CD2 4.1Å; Y111-F139 AromaticContact CD2-CD2 4Å; Y111-F139 HydrophobicContact CD2-CD2 4Å; Y111-F139 HydrophobicContact CD2-CE2 4.17Å; Y111-F139 HydrophobicContact CE2-CD2 4.11Å; Y111-F139 AromaticContact CE2-CE2 3.95Å; Y111-F139 HydrophobicContact CE2-CE2 3.95Å; K137-F139 HydrophobicContact CB-CE1 4.4Å; K137-F139 HydrophobicContact CB-CE2 4.23Å; K137-F139 HydrophobicContact CB-CZ 4.09Å
140L93Very high91.3Very high15 Ų1562.6 Ų62.68%0.07932%0.324CS..SBendtrans-121.3148.5-179-64178.7000110.7F38 R108 T138 A142 N189 L191F38-L140 HydrophobicContact CD1-CD1 4.46Å; F38-L140 HydrophobicContact CD1-CD2 3.81Å; F38-L140 HydrophobicContact CE1-CD2 4.21Å; R108-L140 HydrophobicContact CB-CD2 4.34Å; T138-L140 PolarHBondContact O-N 3.42Å; T138-L140 PolarHBondContact OG1-O 3.02Å; L140-A142 PolarHBondContact O-N 3.07Å; L140-N189 HydrophobicContact CB-CB 4.25Å; L140-L191 HydrophobicContact CD1-CB 4.48Å; L140-L191 HydrophobicContact CD1-CD1 3.48Å; L140-L191 VanDerWaalsContact CD1-CD1 3.48Å; L140-L191 HydrophobicContact CD1-CG 3.56Å
141P92Very high90.4Very high101 Ų10169.5 Ų69.566%0.65635%0.354SS*.  trans-63.4132.5173.627.2-33.4000110N189P141-N189 WeakPolarHBondContact O-CB 3.25Å
142A92.3Very high89.2Confident29 Ų2973 Ų7324%0.2437%0.366CS..  trans-121.8150.1-178.100000111.6L140 E187 T188 N189L140-A142 PolarHBondContact O-N 3.07Å; A142-E187 HydrophobicContact CB-CG 3.77Å; A142-E187 WeakPolarHBondContact CB-OE1 3.47Å; A142-T188 CarbonylContact C-O 3.51Å; A142-T188 WeakPolarHBondContact CA-O 3.45Å; A142-N189 HydrophobicContact CB-CB 4.29Å
143K93.2Very high87.4Confident172 Ų17282.2 Ų82.275%0.74841%0.41SS*.EExtended strand (participates in β ladder)trans-111.2146.7170.2-64.6-178.6-179.4178.90108.7T188K143-T188 PolarHBondContact N-O 3.37Å; K143-T188 PolarHBondContact O-N 3.47Å
144Y92.4Very high85.7Confident31 Ų3184.3 Ų84.312%0.12242%0.419CS..EExtended strand (participates in β ladder)trans-116.8130179.6-58.5-80.3000110L116 W132 R167 V185 T186 E187L116-Y144 HydrophobicContact CD1-CD1 4.34Å; L116-Y144 HydrophobicContact CD1-CE1 4.15Å; W132-Y144 HydrophobicContact CZ2-CD1 4.32Å; W132-Y144 HydrophobicContact CZ2-CD2 4.44Å; W132-Y144 AromaticContact CZ2-CG 3.97Å; W132-Y144 HydrophobicContact CZ2-CG 3.97Å; W132-Y144 AromaticContact NE1-CD1 3.31Å; W132-Y144 VanDerWaalsContact NE1-CD1 3.31Å; W132-Y144 AromaticContact NE1-CE1 3.39Å; W132-Y144 AromaticContact NE1-CG 3.73Å; W132-Y144 AromaticContact NE1-CZ 3.9Å; Y144-R167 HydrophobicContact CE2-CG 4.25Å; Y144-R167 PolarHBondContact OH-NE 2.87Å; Y144-R167 PolarHBondContact OH-NH2 2.99Å; Y144-V185 HydrophobicContact CD1-CG2 4.08Å; Y144-T186 CarbonylContact C-O 3.51Å; Y144-T186 WeakPolarHBondContact CA-O 3.5Å; Y144-E187 HydrophobicContact CD1-CB 3.94Å; Y144-E187 HydrophobicContact CD1-CG 4.09Å; Y144-E187 HydrophobicContact CE1-CB 3.76Å; Y144-E187 HydrophobicContact CE1-CG 3.54Å; Y144-E187 PolarHBondContact OH-OE1 3.18Å
145N92.1Very high84.4Confident114 Ų11487.4 Ų87.461%0.6143%0.432SS*.EExtended strand (participates in β ladder)trans-114.4137.8168.3-171.211.4000108.7V185 T186N145-V185 CarbonylContact O-C 3.52Å; N145-V185 WeakPolarHBondContact O-CA 3.46Å; N145-T186 PolarHBondContact N-O 2.97Å; N145-T186 PolarHBondContact O-N 3.42Å
146T92.9Very high83.3Confident16 Ų1688.6 Ų88.610%0.09844%0.438CS..EExtended strand (participates in β ladder)trans-128.8148-174.158.80000111.5W132 C160 V162 F183 G184 V185W132-T146 HydrophobicContact CH2-CG2 3.77Å; W132-T146 HydrophobicContact CZ2-CG2 4.42Å; W132-T146 HydrophobicContact CZ3-CG2 4.1Å; T146-C160 WeakPolarHBondContact OG1-CB 3.28Å; T146-V162 HydrophobicContact CG2-CG2 3.73Å; T146-V162 WeakPolarHBondContact OG1-CG2 3.42Å; T146-F183 HydrophobicContact CG2-CE2 4.27Å; T146-F183 HydrophobicContact CG2-CZ 3.88Å; T146-G184 CarbonylContact C-O 3.48Å; T146-G184 VanDerWaalsContact CA-O 3.24Å; T146-G184 WeakPolarHBondContact CA-O 3.42Å; T146-V185 HydrophobicContact CG2-CB 4.2Å; T146-V185 HydrophobicContact CG2-CG2 4.06Å
147S91.4Very high82.6Confident19 Ų1987.9 Ų87.913%0.13343%0.434CS..EExtended strand (participates in β ladder)trans-133.7134.7175.263.60000110.2F183 G184S147-F183 CarbonylContact O-C 3.57Å; S147-F183 WeakPolarHBondContact O-CA 3.49Å; S147-F183 WeakPolarHBondContact O-CD2 3.48Å; S147-G184 PolarHBondContact N-O 3.45Å; S147-G184 PolarHBondContact O-N 3.2Å
148F91.8Very high81.7Confident6 Ų684 Ų843%0.02642%0.417CS..EExtended strand (participates in β ladder)trans-119.7117.1169.1-170.8-97.3000109V128 K158 V171 P174 H181 F183 I200 L202V128-F148 HydrophobicContact CG1-CE2 4.37Å; V128-F148 HydrophobicContact CG2-CZ 4.41Å; F148-K158 PolarHBondContact O-N 2.84Å; F148-K158 VanDerWaalsContact O-N 3.15Å; F148-V171 HydrophobicContact CB-CG2 3.91Å; F148-V171 HydrophobicContact CD1-CG1 3.87Å; F148-V171 HydrophobicContact CD1-CG2 4.39Å; F148-V171 HydrophobicContact CD2-CG2 4.18Å; F148-V171 HydrophobicContact CE1-CG1 4.29Å; F148-V171 HydrophobicContact CG-CG1 4.23Å; F148-V171 HydrophobicContact CG-CG2 3.92Å; F148-P174 HydrophobicContact CE1-CB 4.05Å; F148-P174 HydrophobicContact CZ-CB 4.48Å; F148-H181 HydrophobicContact CE1-CB 4.19Å; F148-H181 AromaticContact CE1-CD2 3.25Å; F148-H181 WeakPolarHBondContact CE1-CD2 3.42Å; F148-H181 AromaticContact CE1-CG 3.91Å; F148-H181 HydrophobicContact CE2-CB 3.92Å; F148-H181 HydrophobicContact CZ-CB 3.56Å; F148-H181 AromaticContact CZ-CD2 3.42Å; F148-H181 VanDerWaalsContact CZ-CD2 3.42Å; F148-H181 WeakPolarHBondContact CZ-CD2 3.47Å; F148-H181 AromaticContact CZ-CG 3.57Å; F148-F183 HydrophobicContact CB-CD2 4.38Å; F148-F183 HydrophobicContact CD2-CB 4.13Å; F148-F183 HydrophobicContact CD2-CD2 4.05Å; F148-I200 HydrophobicContact CE2-CD1 4.38Å; F148-L202 HydrophobicContact CZ-CD1 4.27Å; F148-L202 HydrophobicContact CZ-CD2 4.28Å
149R88.6Confident80.8Confident97 Ų9790 Ų9037%0.36645%0.453SS..EExtended strand (participates in β ladder)trans-127137.7-175.9-69.7-170.7-73-103.12.1111.4T157 H181 T182R149-T157 VanDerWaalsContact CD-OG1 3.32Å; R149-T157 WeakPolarHBondContact CD-OG1 3.34Å; R149-T157 HydrophobicContact CG-CG2 3.86Å; R149-T157 VanDerWaalsContact CG-OG1 3.3Å; R149-T157 WeakPolarHBondContact CG-OG1 2.92Å; R149-H181 CarbonylContact O-C 3.59Å; R149-H181 VanDerWaalsContact O-CA 3.28Å; R149-H181 WeakPolarHBondContact O-CA 3.25Å; R149-T182 PolarHBondContact N-O 3.42Å; R149-T182 PolarHBondContact O-N 3.47Å
150G83.9Confident80.3Confident21 Ų2185.2 Ų85.222%0.21643%0.433CS..EExtended strand (participates in β ladder)trans-69.3171.5164.700000113.1E152G150-E152 VanDerWaalsContact C-N 3.3Å
151K76.9Confident79.9Confident145 Ų14589.7 Ų89.763%0.6346%0.456SS*.SBendtrans-69.7-31.4171.6-175.1-178.6176.1-1720111.5E153 I180K151-E153 PolarHBondContact O-N 2.86Å; K151-I180 PolarHBondContact N-O 3.49Å
152E70.9Confident79.7Confident128 Ų12887.3 Ų87.360%0.59844%0.44SS*.SBendtrans-78.5110.1-179.6-62.8-173.5175.800109.9G150 K154 E155G150-E152 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.24Å; E152-E155 PolarHBondContact O-N 3.26Å
153E59.2Low79.6Confident200 Ų20087.9 Ų87.994%0.93544%0.439SS*.THydrogen-bonded Turntrans-62.1-11.9-176.4-68.9-17916600114.3K151K151-E153 PolarHBondContact O-N 2.86Å
154K58.8Low79.2Confident204 Ų20483.1 Ų83.189%0.88743%0.427SS*.THydrogen-bonded Turntrans-80.6-16.4-179.3-67.4-174178.7-178.90113.7E152E152-K154 PolarHBondContact O-N 3.24Å
155E60.6Low78.9Confident108 Ų10887.4 Ų87.451%0.50546%0.456SS..SBendtrans-84130.7177.3-81.9-69.1141.500110.7E152E152-E155 PolarHBondContact O-N 3.26Å
156P61.8Low78.8Confident102 Ų10287 Ų8766%0.66245%0.454SS*.  trans-58.3143.1175.523.9-31.6000110.2K158P156-K158 PolarHBondContact O-N 2.73Å
157T69.1Low78.9Confident63 Ų6389.9 Ų89.939%0.38746%0.463SS..  trans-57.6115.1173.8-61.80000108.2R149 V159R149-T157 VanDerWaalsContact CD-OG1 3.32Å; R149-T157 WeakPolarHBondContact CD-OG1 3.34Å; R149-T157 HydrophobicContact CG-CG2 3.86Å; R149-T157 VanDerWaalsContact CG-OG1 3.3Å; R149-T157 WeakPolarHBondContact CG-OG1 2.92Å; T157-V159 PolarHBondContact O-N 3.26Å
158K70.6Confident79Confident78 Ų7893.5 Ų93.534%0.33947%0.474SS..BIsolated β-bridgetrans-65.7128.8176.8-82.7-154.7166.4-158.20109F148 P156 C160 V171 E172 D173F148-K158 PolarHBondContact O-N 2.84Å; F148-K158 VanDerWaalsContact O-N 3.15Å; P156-K158 PolarHBondContact O-N 2.73Å; K158-C160 PolarHBondContact O-N 3.1Å; K158-V171 HydrophobicContact CB-CG1 4.35Å; K158-V171 HydrophobicContact CD-CG1 4.37Å; K158-E172 PolarHBondContact NZ-O 2.76Å; K158-D173 WeakPolarHBondContact CE-O 3.42Å; K158-D173 PolarHBondContact NZ-O 2.83Å
159V71.6Confident79.2Confident133 Ų13393.2 Ų93.281%0.80647%0.472SS*.PPolyproline II helixtrans-69.3124.2175.6-178.20000107.2T157T157-V159 PolarHBondContact O-N 3.26Å
160C82.8Confident79.4Confident8 Ų890.4 Ų90.45%0.05447%0.466CS..PPolyproline II helixtrans-90138.5171.3-177.70000110.3T146 K158 V162 C169 V170 V171T146-C160 WeakPolarHBondContact OG1-CB 3.28Å; K158-C160 PolarHBondContact O-N 3.1Å; C160-V162 PolarHBondContact O-N 3.19Å; C160-C169 HydrophobicContact CB-CB 4.23Å; C160-C169 WeakPolarHBondContact CB-SG 3.37Å; C160-C169 WeakPolarHBondContact SG-CA 3.12Å; C160-C169 WeakPolarHBondContact SG-CB 3.23Å; C160-C169 CovalentContact SG-SG 1.97Å; C160-C169 PolarHBondContact SG-SG 3.13Å; C160-V170 PolarHBondContact SG-N 2.83Å; C160-V170 PolarHBondContact SG-O 3.25Å; C160-V171 HydrophobicContact CB-CG2 4.05Å
161I84.9Confident79.8Confident109 Ų10989.5 Ų89.556%0.55946%0.456SS*.EExtended strand (participates in β ladder)trans-78.3107.4172.7-55.6173.7000108C169 V170I161-C169 WeakPolarHBondContact O-CA 3.29Å; I161-V170 PolarHBondContact N-O 2.69Å; I161-V170 VanDerWaalsContact N-O 3.1Å; I161-V170 PolarHBondContact O-N 2.94Å
162V88.3Confident80.5Confident51 Ų5187.2 Ų87.231%0.30945%0.448SS..EExtended strand (participates in β ladder)trans-91.6123.7-175.9-1800000111.1W132 T146 C160W132-V162 HydrophobicContact CH2-CG1 4.13Å; W132-V162 HydrophobicContact CZ2-CG1 4.32Å; T146-V162 HydrophobicContact CG2-CG2 3.73Å; T146-V162 WeakPolarHBondContact OG1-CG2 3.42Å; C160-V162 PolarHBondContact O-N 3.19Å
163D90.3Very high81.4Confident41 Ų4185.9 Ų85.922%0.21945%0.445CS..EExtended strand (participates in β ladder)trans-100.697166.1176-12.1000107.3T165 N166 R167 R168D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 PolarHBondContact O-N 3Å; D163-T165 PolarHBondContact OD1-N 2.96Å; D163-N166 PolarHBondContact OD1-N 2.88Å; D163-N166 PolarHBondContact OD1-ND2 2.76Å; D163-N166 WeakPolarHBondContact OD2-CB 3.43Å; D163-N166 PolarHBondContact OD2-ND2 3.42Å; D163-R167 WeakPolarHBondContact O-CA 3.47Å; D163-R167 PolarHBondContact O-N 3.3Å; D163-R168 HydrophobicContact CB-CB 4.31Å; D163-R168 PolarHBondContact N-O 3.14Å; D163-R168 PolarHBondContact O-N 3.48Å; D163-R168 IonicContact OD2-CZ 3.25Å; D163-R168 IonicContact OD2-NE 2.69Å; D163-R168 IonicContact OD2-NH2 3.38Å; D163-R168 PolarHBondContact OD2-NH2 3.11Å
164S84.9Confident82.9Confident71 Ų7176.9 Ų76.950%0.49740%0.404SS..THydrogen-bonded Turntrans-67.5-31.2-17557.30000112.6R167S164-R167 PolarHBondContact O-N 2.87Å
165T86.2Confident84.4Confident121 Ų12169 Ų6974%0.74238%0.377SS*.THydrogen-bonded Turntrans-66.8-47.2178.7-54.20000110.9D163D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 PolarHBondContact O-N 3Å; D163-T165 PolarHBondContact OD1-N 2.96Å
166N89.9Confident85.8Confident105 Ų10564.3 Ų64.356%0.56136%0.355SS*.THydrogen-bonded Turntrans-92.43179.4-61.4-55.6000113.5D163 R168D163-N166 PolarHBondContact OD1-N 2.88Å; D163-N166 PolarHBondContact OD1-ND2 2.76Å; D163-N166 WeakPolarHBondContact OD2-CB 3.43Å; D163-N166 PolarHBondContact OD2-ND2 3.42Å; N166-R168 VanDerWaalsContact C-N 3.27Å; N166-R168 HydrophobicContact CB-CB 4.33Å; N166-R168 PolarHBondContact O-N 3.42Å
167R93.7Very high87.1Confident77 Ų7767.4 Ų67.429%0.29135%0.353SS..THydrogen-bonded Turntrans48.651.3-178.6-64.6177.7-180-179.9-8.1111.9T131 W132 D134 Y144 D163 S164T131-R167 VanDerWaalsContact CA-O 3.3Å; T131-R167 WeakPolarHBondContact CA-O 3.36Å; W132-R167 HydrophobicContact CD2-CB 4.2Å; W132-R167 HydrophobicContact CG-CB 4.27Å; W132-R167 HydrophobicContact CZ2-CB 4.27Å; W132-R167 PolarHBondContact N-O 2.81Å; W132-R167 VanDerWaalsContact N-O 3.09Å; W132-R167 WeakPolarHBondContact O-CB 3.47Å; D134-R167 IonicContact OD1-CZ 3.31Å; D134-R167 VanDerWaalsContact OD1-CZ 3.25Å; D134-R167 IonicContact OD1-NE 2.68Å; D134-R167 IonicContact OD1-NH1 3.07Å; D134-R167 PolarHBondContact OD1-NH1 3Å; D134-R167 IonicContact OD1-NH2 2.75Å; D134-R167 PolarHBondContact OD1-NH2 3.36Å; D134-R167 IonicContact OD2-CZ 3.67Å; D134-R167 IonicContact OD2-NH1 2.89Å; D134-R167 PolarHBondContact OD2-NH1 3.46Å; D134-R167 IonicContact OD2-NH2 3.11Å; D134-R167 PolarHBondContact OD2-NH2 3.49Å; Y144-R167 HydrophobicContact CE2-CG 4.25Å; Y144-R167 PolarHBondContact OH-NE 2.87Å; Y144-R167 PolarHBondContact OH-NH2 2.99Å; D163-R167 WeakPolarHBondContact O-CA 3.47Å; D163-R167 PolarHBondContact O-N 3.3Å; S164-R167 PolarHBondContact O-N 2.87Å
168R94.8Very high88.1Confident95 Ų9565.8 Ų65.836%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-128.8147.1-170.5-179.8177.560.8172.9-2.2109.8R129 C130 T131 D163 N166R129-R168 HydrophobicContact CG-CG 4.15Å; C130-R168 CarbonylContact O-C 3.6Å; C130-R168 WeakPolarHBondContact O-CA 3.48Å; T131-R168 HydrophobicContact CG2-CB 4.13Å; T131-R168 HydrophobicContact CG2-CG 4.02Å; D163-R168 HydrophobicContact CB-CB 4.31Å; D163-R168 PolarHBondContact N-O 3.14Å; D163-R168 PolarHBondContact O-N 3.48Å; D163-R168 IonicContact OD2-CZ 3.25Å; D163-R168 IonicContact OD2-NE 2.69Å; D163-R168 IonicContact OD2-NH2 3.38Å; D163-R168 PolarHBondContact OD2-NH2 3.11Å; N166-R168 VanDerWaalsContact C-N 3.27Å; N166-R168 HydrophobicContact CB-CB 4.33Å; N166-R168 PolarHBondContact O-N 3.42Å
169C94.6Very high88.9Confident0 Ų066.4 Ų66.40%035%0.352CS..EExtended strand (participates in β ladder)trans-132.9128.9178.9154.80000108.3R129 C130 W132 C160 I161 F183R129-C169 WeakPolarHBondContact CA-O 3.49Å; C130-C169 HydrophobicContact CB-CB 4.45Å; C130-C169 PolarHBondContact N-O 3.22Å; C130-C169 PolarHBondContact O-N 2.87Å; W132-C169 HydrophobicContact CH2-CB 4.03Å; W132-C169 HydrophobicContact CZ3-CB 3.59Å; C160-C169 HydrophobicContact CB-CB 4.23Å; C160-C169 WeakPolarHBondContact CB-SG 3.37Å; C160-C169 WeakPolarHBondContact SG-CA 3.12Å; C160-C169 WeakPolarHBondContact SG-CB 3.23Å; C160-C169 CovalentContact SG-SG 1.97Å; C160-C169 PolarHBondContact SG-SG 3.13Å; I161-C169 WeakPolarHBondContact O-CA 3.29Å; C169-F183 HydrophobicContact CB-CE2 4.09Å; C169-F183 HydrophobicContact CB-CZ 3.83Å; C169-F183 WeakPolarHBondContact SG-CE2 3.3Å
170V93.9Very high89.8Confident39 Ų3962.5 Ų62.524%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-112.1128.3170.7-177.80000109.9F127 V128 R129 C160 I161 E172F127-V170 HydrophobicContact CD1-CG1 4.05Å; F127-V170 HydrophobicContact CE1-CG1 4.49Å; V128-V170 WeakPolarHBondContact O-CA 3.39Å; R129-V170 HydrophobicContact CG-CG2 4.47Å; C160-V170 PolarHBondContact SG-N 2.83Å; C160-V170 PolarHBondContact SG-O 3.25Å; I161-V170 PolarHBondContact N-O 2.69Å; I161-V170 VanDerWaalsContact N-O 3.1Å; I161-V170 PolarHBondContact O-N 2.94Å; V170-E172 HydrophobicContact CG1-CG 4.38Å
171V93Very high90.3Very high1 Ų162.2 Ų62.21%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-112.7124.1173.5-175.30000108V128 F148 K158 C160V128-V171 HydrophobicContact CB-CB 4.23Å; V128-V171 PolarHBondContact N-O 2.7Å; V128-V171 PolarHBondContact O-N 3.47Å; F148-V171 HydrophobicContact CB-CG2 3.91Å; F148-V171 HydrophobicContact CD1-CG1 3.87Å; F148-V171 HydrophobicContact CD1-CG2 4.39Å; F148-V171 HydrophobicContact CD2-CG2 4.18Å; F148-V171 HydrophobicContact CE1-CG1 4.29Å; F148-V171 HydrophobicContact CG-CG1 4.23Å; F148-V171 HydrophobicContact CG-CG2 3.92Å; K158-V171 HydrophobicContact CB-CG1 4.35Å; K158-V171 HydrophobicContact CD-CG1 4.37Å; C160-V171 HydrophobicContact CB-CG2 4.05Å
172E91Very high90.7Very high98 Ų9858.8 Ų58.846%0.45831%0.308SS..EExtended strand (participates in β ladder)trans-99.3141.7178.2-60.3-177.9159.800110.4T126 F127 K158 V170T126-E172 CarbonylContact O-C 3.58Å; T126-E172 WeakPolarHBondContact O-CA 3.34Å; F127-E172 HydrophobicContact CD1-CG 4.2Å; F127-E172 HydrophobicContact CE1-CG 3.77Å; K158-E172 PolarHBondContact NZ-O 2.76Å; V170-E172 HydrophobicContact CG1-CG 4.38Å
173D88.7Confident91Very high99 Ų9956.3 Ų56.353%0.52929%0.293SS..SBendtrans47.755.7-178.5-57.5-43.4000113T126 K158T126-D173 WeakPolarHBondContact CB-OD1 3.42Å; T126-D173 PolarHBondContact O-N 2.89Å; K158-D173 WeakPolarHBondContact CE-O 3.42Å; K158-D173 PolarHBondContact NZ-O 2.83Å
174P90.8Very high91.2Very high11 Ų1154.4 Ų54.47%0.07128%0.283CS..  trans-56.3157.4178.232.8-40.7000110.2H125 T126 V128 F148 F176 L202H125-P174 WeakPolarHBondContact O-CG 3.32Å; T126-P174 WeakPolarHBondContact O-CD 3.25Å; V128-P174 HydrophobicContact CG2-CB 3.93Å; V128-P174 HydrophobicContact CG2-CG 3.76Å; F148-P174 HydrophobicContact CE1-CB 4.05Å; F148-P174 HydrophobicContact CZ-CB 4.48Å; P174-F176 HydrophobicContact CG-CB 4.48Å; P174-F176 PolarHBondContact O-N 3.27Å; P174-L202 HydrophobicContact CB-CD1 3.75Å; P174-L202 HydrophobicContact CG-CD1 4.07Å
175A90.6Very high91.7Very high39 Ų3951 Ų5132%0.32226%0.26SS..  trans-70.764.816900000110.1W177 Q178 H181A175-W177 PolarHBondContact O-N 3.09Å; A175-Q178 HydrophobicContact CB-CG 3.89Å; A175-Q178 WeakPolarHBondContact O-CB 3.43Å; A175-Q178 PolarHBondContact O-N 2.81Å; A175-H181 PolarHBondContact O-CE1 2.79Å; A175-H181 PolarHBondContact O-NE2 2.85Å; A175-H181 VanDerWaalsContact O-NE2 3.1Å
176F90.5Very high92.1Very high9 Ų946.9 Ų46.94%0.03923%0.234CC..THydrogen-bonded Turntrans-50.7-42.5-163-178-87.5000113V122 H125 P174 Q178 L202 N203 L206V122-F176 HydrophobicContact CG1-CE2 4.18Å; H125-F176 HydrophobicContact CB-CD2 4.43Å; H125-F176 AromaticContact CD2-CD1 3.58Å; H125-F176 AromaticContact CD2-CE1 3.38Å; H125-F176 WeakPolarHBondContact CD2-CE1 3.38Å; H125-F176 AromaticContact CD2-CE2 3.85Å; H125-F176 AromaticContact CD2-CG 3.91Å; H125-F176 AromaticContact CD2-CZ 3.53Å; H125-F176 AromaticContact NE2-CE1 3.78Å; H125-F176 AromaticContact NE2-CZ 3.86Å; P174-F176 HydrophobicContact CG-CB 4.48Å; P174-F176 PolarHBondContact O-N 3.27Å; F176-Q178 PolarHBondContact O-N 3.3Å; F176-L202 HydrophobicContact CD2-CB 3.83Å; F176-L202 HydrophobicContact CD2-CD1 4.27Å; F176-L202 HydrophobicContact CE2-CB 3.83Å; F176-N203 HydrophobicContact CE1-CB 4.48Å; F176-N203 HydrophobicContact CZ-CB 4.36Å; F176-L206 HydrophobicContact CE2-CB 4.33Å; F176-L206 HydrophobicContact CE2-CD1 4.38Å; F176-L206 HydrophobicContact CE2-CD2 4.25Å; F176-L206 HydrophobicContact CZ-CB 4.22Å; F176-L206 HydrophobicContact CZ-CD2 3.73Å; F176-L206 HydrophobicContact CZ-CG 4.43Å
177W89.4Confident92.4Very high168 Ų16842 Ų4264%0.63621%0.207SC*.THydrogen-bonded Turntrans-72.5-6.5-176-52.8110.7000114.3H125 A175 F242 V289H125-W177 AromaticContact NE2-CH2 4Å; A175-W177 PolarHBondContact O-N 3.09Å; W177-F242 HydrophobicContact CH2-CE1 4.22Å; W177-F242 AromaticContact CZ2-CE1 3.7Å; W177-F242 HydrophobicContact CZ2-CE1 3.7Å; W177-F242 HydrophobicContact CZ2-CZ 4.29Å; W177-V289 HydrophobicContact CH2-CG1 3.93Å; W177-V289 HydrophobicContact CZ3-CG1 4.42Å
178Q89.3Confident92.4Very high29 Ų2941.2 Ų41.214%0.13621%0.212CC..SBendtrans-71.8137.9171.4-65.8-169.93.600111.4A175 F176 I180 H181A175-Q178 HydrophobicContact CB-CG 3.89Å; A175-Q178 WeakPolarHBondContact O-CB 3.43Å; A175-Q178 PolarHBondContact O-N 2.81Å; F176-Q178 PolarHBondContact O-N 3.3Å; Q178-I180 VanDerWaalsContact C-N 3.33Å; Q178-I180 PolarHBondContact O-N 2.75Å; Q178-H181 PolarHBondContact O-CE1 3.44Å
179T87.6Confident92.4Very high91 Ų9137.3 Ų37.356%0.55820%0.198SC*.SBendtrans-57.1-39.4-174.753.70000114.5R201T179-R201 WeakPolarHBondContact O-CG 3.25Å
180I91.8Very high92.5Very high51 Ų5139.9 Ų39.926%0.26222%0.219SC..  trans-145.3137.9-175.5-59.8177.3000109.3K151 Q178 R199 I200 R201K151-I180 PolarHBondContact N-O 3.49Å; Q178-I180 VanDerWaalsContact C-N 3.33Å; Q178-I180 PolarHBondContact O-N 2.75Å; I180-R199 HydrophobicContact CG2-CB 4.43Å; I180-I200 CarbonylContact C-O 3.55Å; I180-I200 WeakPolarHBondContact CA-O 3.5Å; I180-R201 HydrophobicContact CG1-CG 4.21Å
181H92.6Very high92.5Very high1 Ų140.4 Ų40.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-116.4152170.3-63.776.7000110F148 R149 A175 Q178 R199 I200 L202F148-H181 HydrophobicContact CE1-CB 4.19Å; F148-H181 AromaticContact CE1-CD2 3.25Å; F148-H181 WeakPolarHBondContact CE1-CD2 3.42Å; F148-H181 AromaticContact CE1-CG 3.91Å; F148-H181 HydrophobicContact CE2-CB 3.92Å; F148-H181 HydrophobicContact CZ-CB 3.56Å; F148-H181 AromaticContact CZ-CD2 3.42Å; F148-H181 VanDerWaalsContact CZ-CD2 3.42Å; F148-H181 WeakPolarHBondContact CZ-CD2 3.47Å; F148-H181 AromaticContact CZ-CG 3.57Å; R149-H181 CarbonylContact O-C 3.59Å; R149-H181 VanDerWaalsContact O-CA 3.28Å; R149-H181 WeakPolarHBondContact O-CA 3.25Å; A175-H181 PolarHBondContact O-CE1 2.79Å; A175-H181 PolarHBondContact O-NE2 2.85Å; A175-H181 VanDerWaalsContact O-NE2 3.1Å; Q178-H181 PolarHBondContact O-CE1 3.44Å; H181-R199 CarbonylContact O-C 3.53Å; H181-R199 WeakPolarHBondContact O-CA 3.48Å; H181-I200 HydrophobicContact CB-CB 4.42Å; H181-I200 PolarHBondContact N-O 2.85Å; H181-I200 PolarHBondContact O-N 2.05Å; H181-L202 WeakPolarHBondContact CE1-CD1 3.45Å; H181-L202 WeakPolarHBondContact ND1-CD1 3.2Å
182T93.5Very high92.6Very high37 Ų3741.8 Ų41.823%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-120.4116.5171.9-57.10000108.8R149 Y197R149-T182 PolarHBondContact N-O 3.42Å; R149-T182 PolarHBondContact O-N 3.47Å; T182-Y197 HydrophobicContact CG2-CD1 3.99Å
183F94.7Very high92.8Very high0 Ų040.7 Ų40.70%024%0.238CC..EExtended strand (participates in β ladder)trans-93.6131.6168.6-178.2-110.6000109.3I118 C130 W132 T146 S147 F148 C169 V185 Y197 R198 I200I118-F183 HydrophobicContact CD1-CD1 4.28Å; I118-F183 HydrophobicContact CG2-CD1 3.65Å; I118-F183 HydrophobicContact CG2-CE1 4.04Å; C130-F183 HydrophobicContact CB-CD1 3.91Å; C130-F183 HydrophobicContact CB-CE1 3.66Å; C130-F183 HydrophobicContact CB-CE2 4.31Å; C130-F183 HydrophobicContact CB-CG 4.31Å; C130-F183 HydrophobicContact CB-CZ 3.88Å; W132-F183 HydrophobicContact CE3-CE1 4.21Å; W132-F183 HydrophobicContact CE3-CZ 4.3Å; W132-F183 HydrophobicContact CZ3-CE1 4.34Å; W132-F183 AromaticContact CZ3-CZ 3.96Å; W132-F183 HydrophobicContact CZ3-CZ 3.96Å; T146-F183 HydrophobicContact CG2-CE2 4.27Å; T146-F183 HydrophobicContact CG2-CZ 3.88Å; S147-F183 CarbonylContact O-C 3.57Å; S147-F183 WeakPolarHBondContact O-CA 3.49Å; S147-F183 WeakPolarHBondContact O-CD2 3.48Å; F148-F183 HydrophobicContact CB-CD2 4.38Å; F148-F183 HydrophobicContact CD2-CB 4.13Å; F148-F183 HydrophobicContact CD2-CD2 4.05Å; C169-F183 HydrophobicContact CB-CE2 4.09Å; C169-F183 HydrophobicContact CB-CZ 3.83Å; C169-F183 WeakPolarHBondContact SG-CE2 3.3Å; F183-V185 HydrophobicContact CE1-CB 4.32Å; F183-V185 HydrophobicContact CE1-CG1 4.5Å; F183-Y197 CarbonylContact O-C 3.6Å; F183-Y197 VanDerWaalsContact O-CA 3.3Å; F183-Y197 WeakPolarHBondContact O-CA 3.47Å; F183-R198 PolarHBondContact N-O 2.57Å; F183-R198 PolarHBondContact O-N 3.24Å; F183-I200 HydrophobicContact CB-CD1 3.78Å
184G94.4Very high93.2Very high1 Ų139.5 Ų39.51%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-124.3139.1176.700000110.6T146 S147 S196T146-G184 CarbonylContact C-O 3.48Å; T146-G184 VanDerWaalsContact CA-O 3.24Å; T146-G184 WeakPolarHBondContact CA-O 3.42Å; S147-G184 PolarHBondContact N-O 3.45Å; S147-G184 PolarHBondContact O-N 3.2Å; G184-S196 CarbonylContact C-O 3.58Å; G184-S196 WeakPolarHBondContact CA-O 3.29Å
185V95.1Very high93.4Very high0 Ų040.7 Ų40.70%024%0.237CC..EExtended strand (participates in β ladder)trans-129.2125.4170.154.70000109.2L116 I118 W132 Y144 N145 T146 F183 T195 S196L116-V185 HydrophobicContact CB-CG1 4.32Å; L116-V185 HydrophobicContact CD1-CB 4.39Å; L116-V185 HydrophobicContact CD1-CG1 3.69Å; L116-V185 HydrophobicContact CD1-CG2 3.82Å; I118-V185 HydrophobicContact CD1-CG1 3.76Å; I118-V185 HydrophobicContact CG1-CG1 3.88Å; W132-V185 HydrophobicContact CD2-CG2 4Å; W132-V185 HydrophobicContact CE3-CG2 4.42Å; W132-V185 HydrophobicContact CG-CG1 4.43Å; W132-V185 HydrophobicContact CG-CG2 4.38Å; W132-V185 HydrophobicContact CZ2-CG2 4.14Å; Y144-V185 HydrophobicContact CD1-CG2 4.08Å; N145-V185 CarbonylContact O-C 3.52Å; N145-V185 WeakPolarHBondContact O-CA 3.46Å; T146-V185 HydrophobicContact CG2-CB 4.2Å; T146-V185 HydrophobicContact CG2-CG2 4.06Å; F183-V185 HydrophobicContact CE1-CB 4.32Å; F183-V185 HydrophobicContact CE1-CG1 4.5Å; V185-T195 CarbonylContact O-C 3.41Å; V185-T195 WeakPolarHBondContact O-CA 3.33Å; V185-S196 PolarHBondContact N-O 3.01Å; V185-S196 PolarHBondContact O-N 3.07Å
186T94.5Very high93.7Very high33 Ų3339.1 Ų39.120%0.20222%0.223CC..EExtended strand (participates in β ladder)trans-105.1115.8174.3-55.40000108.3Y144 N145 Q194 T195Y144-T186 CarbonylContact C-O 3.51Å; Y144-T186 WeakPolarHBondContact CA-O 3.5Å; N145-T186 PolarHBondContact N-O 2.97Å; N145-T186 PolarHBondContact O-N 3.42Å; T186-Q194 CarbonylContact C-O 3.58Å; T186-Q194 WeakPolarHBondContact CA-O 3.44Å; T186-T195 WeakPolarHBondContact CG2-OG1 3.47Å; T186-T195 WeakPolarHBondContact OG1-CG2 3.43Å; T186-T195 PolarHBondContact OG1-OG1 3.17Å
187E95Very high93.9Very high2 Ų245.4 Ų45.41%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-91.1129168.9-177.6177.3-159.100109.1P113 L116 A142 Y144 S193 Q194P113-E187 HydrophobicContact CB-CB 4.05Å; P113-E187 HydrophobicContact CB-CG 3.86Å; P113-E187 HydrophobicContact CG-CG 4.1Å; L116-E187 HydrophobicContact CD1-CB 4.1Å; A142-E187 HydrophobicContact CB-CG 3.77Å; A142-E187 WeakPolarHBondContact CB-OE1 3.47Å; Y144-E187 HydrophobicContact CD1-CB 3.94Å; Y144-E187 HydrophobicContact CD1-CG 4.09Å; Y144-E187 HydrophobicContact CE1-CB 3.76Å; Y144-E187 HydrophobicContact CE1-CG 3.54Å; Y144-E187 PolarHBondContact OH-OE1 3.18Å; E187-S193 CarbonylContact O-C 3.59Å; E187-S193 WeakPolarHBondContact O-CA 3.22Å; E187-Q194 PolarHBondContact N-O 2.68Å; E187-Q194 PolarHBondContact O-N 3Å
188T95.1Very high94.2Very high62 Ų6241.5 Ų41.538%0.3823%0.233SC..EExtended strand (participates in β ladder)trans-126.1123.3177.4-56.50000109.6A142 K143 G192 S193A142-T188 CarbonylContact C-O 3.51Å; A142-T188 WeakPolarHBondContact CA-O 3.45Å; K143-T188 PolarHBondContact N-O 3.37Å; K143-T188 PolarHBondContact O-N 3.47Å; T188-G192 WeakPolarHBondContact CA-O 3.47Å; T188-S193 WeakPolarHBondContact OG1-CB 3.09Å
189N95.1Very high94.5Very high12 Ų1250.1 Ų50.16%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-120.8-176.5167.977.514.6000109.8Y111 P113 L140 P141 A142 L191 G192Y111-N189 PolarHBondContact O-ND2 3.44Å; P113-N189 WeakPolarHBondContact CD-OD1 3.39Å; P113-N189 HydrophobicContact CG-CB 4.18Å; L140-N189 HydrophobicContact CB-CB 4.25Å; P141-N189 WeakPolarHBondContact O-CB 3.25Å; A142-N189 HydrophobicContact CB-CB 4.29Å; N189-L191 PolarHBondContact O-N 3.29Å; N189-L191 VanDerWaalsContact O-N 3.16Å; N189-L191 WeakPolarHBondContact OD1-CA 3.09Å; N189-L191 WeakPolarHBondContact OD1-CB 3.25Å; N189-L191 PolarHBondContact OD1-N 3.43Å; N189-G192 PolarHBondContact N-O 2.9Å; N189-G192 PolarHBondContact O-N 3Å; N189-G192 VanDerWaalsContact O-O 3.04Å; N189-G192 PolarHBondContact OD1-N 3.28Å
190A95.3Very high94.8Very high54 Ų5446 Ų4645%0.44624%0.239SC..THydrogen-bonded Turntrans-65.4-16.2-177.100000115.1F38F38-A190 HydrophobicContact CB-CB 3.61Å; F38-A190 HydrophobicContact CD1-CB 3.57Å; F38-A190 HydrophobicContact CD2-CB 3.23Å; F38-A190 HydrophobicContact CE1-CB 3.97Å; F38-A190 HydrophobicContact CE2-CB 3.66Å; F38-A190 HydrophobicContact CG-CB 3.15Å; F38-A190 HydrophobicContact CZ-CB 4Å
191L95.1Very high95Very high50 Ų5049.4 Ų49.426%0.26225%0.248SC..THydrogen-bonded Turntrans-99.9-2.6-179.8-60.1179.9000113.2F38 R40 G110 P112 L140 N189F38-L191 HydrophobicContact CB-CD2 4.08Å; R40-L191 HydrophobicContact CB-CD1 4.16Å; G110-L191 WeakPolarHBondContact O-CD1 3.37Å; P112-L191 HydrophobicContact CB-CB 4.22Å; L140-L191 HydrophobicContact CD1-CB 4.48Å; L140-L191 HydrophobicContact CD1-CD1 3.48Å; L140-L191 VanDerWaalsContact CD1-CD1 3.48Å; L140-L191 HydrophobicContact CD1-CG 3.56Å; N189-L191 PolarHBondContact O-N 3.29Å; N189-L191 VanDerWaalsContact O-N 3.16Å; N189-L191 WeakPolarHBondContact OD1-CA 3.09Å; N189-L191 WeakPolarHBondContact OD1-CB 3.25Å; N189-L191 PolarHBondContact OD1-N 3.43Å
192G94.7Very high95.1Very high31 Ų3149.4 Ų49.432%0.3225%0.248SC..EExtended strand (participates in β ladder)trans148.9-166175.400000113.9T188 N189T188-G192 WeakPolarHBondContact CA-O 3.47Å; N189-G192 PolarHBondContact N-O 2.9Å; N189-G192 PolarHBondContact O-N 3Å; N189-G192 VanDerWaalsContact O-O 3.04Å; N189-G192 PolarHBondContact OD1-N 3.28Å
193S95.9Very high95.1Very high75 Ų7549.6 Ų49.652%0.52425%0.248SC..EExtended strand (participates in β ladder)trans-136.6142.8179.862.70000111.7E187 T188E187-S193 CarbonylContact O-C 3.59Å; E187-S193 WeakPolarHBondContact O-CA 3.22Å; T188-S193 WeakPolarHBondContact OG1-CB 3.09Å
194Q96.2Very high95.2Very high73 Ų7353 Ų5334%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-132.7136.8174.5-175.758.821.600110.3P113 G114 L115 T186 E187P113-Q194 HydrophobicContact CB-CB 3.84Å; P113-Q194 WeakPolarHBondContact O-CB 3.42Å; G114-Q194 VanDerWaalsContact O-CG 3.26Å; G114-Q194 WeakPolarHBondContact O-CG 3.45Å; L115-Q194 HydrophobicContact CD2-CG 4.34Å; T186-Q194 CarbonylContact C-O 3.58Å; T186-Q194 WeakPolarHBondContact CA-O 3.44Å; E187-Q194 PolarHBondContact N-O 2.68Å; E187-Q194 PolarHBondContact O-N 3Å
195T95.6Very high95.3Very high37 Ų3754.8 Ų54.823%0.22727%0.273CS..EExtended strand (participates in β ladder)trans-111.5135.5178.5-52.50000111.2V185 T186 Y197V185-T195 CarbonylContact O-C 3.41Å; V185-T195 WeakPolarHBondContact O-CA 3.33Å; T186-T195 WeakPolarHBondContact CG2-OG1 3.47Å; T186-T195 WeakPolarHBondContact OG1-CG2 3.43Å; T186-T195 PolarHBondContact OG1-OG1 3.17Å; T195-Y197 HydrophobicContact CG2-CD2 4.24Å; T195-Y197 HydrophobicContact CG2-CE1 3.87Å; T195-Y197 HydrophobicContact CG2-CE2 3.57Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.21Å
196S96.1Very high95.4Very high6 Ų654.8 Ų54.84%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-120.2141.1175.5-570000110L116 G184 V185L116-S196 PolarHBondContact N-OG 3.49Å; G184-S196 CarbonylContact C-O 3.58Å; G184-S196 WeakPolarHBondContact CA-O 3.29Å; V185-S196 PolarHBondContact N-O 3.01Å; V185-S196 PolarHBondContact O-N 3.07Å
197Y95.3Very high95.5Very high140 Ų14056.2 Ų56.255%0.54928%0.276SS..EExtended strand (participates in β ladder)trans-124.7146.5-176.5-63.8-78.2000111.6T182 F183 T195T182-Y197 HydrophobicContact CG2-CD1 3.99Å; F183-Y197 CarbonylContact O-C 3.6Å; F183-Y197 VanDerWaalsContact O-CA 3.3Å; F183-Y197 WeakPolarHBondContact O-CA 3.47Å; T195-Y197 HydrophobicContact CG2-CD2 4.24Å; T195-Y197 HydrophobicContact CG2-CE1 3.87Å; T195-Y197 HydrophobicContact CG2-CE2 3.57Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.21Å
198R95.4Very high95.7Very high87 Ų8756.2 Ų56.233%0.32828%0.276SS..EExtended strand (participates in β ladder)trans-133124.3170.2-175171.5175.2141.60109.8I118 F183 I200I118-R198 HydrophobicContact CB-CB 4.08Å; I118-R198 HydrophobicContact CD1-CB 4.04Å; I118-R198 HydrophobicContact CG2-CB 3.82Å; I118-R198 HydrophobicContact CG2-CG 4.4Å; I118-R198 PolarHBondContact O-NH1 2.7Å; F183-R198 PolarHBondContact N-O 2.57Å; F183-R198 PolarHBondContact O-N 3.24Å; R198-I200 HydrophobicContact CG-CG1 4.07Å
199R95.1Very high95.8Very high209 Ų20956.9 Ų56.979%0.78928%0.278SS*.EExtended strand (participates in β ladder)trans-81137.5168.9-68.8-178.2177.9171.9-0109.4I180 H181I180-R199 HydrophobicContact CG2-CB 4.43Å; H181-R199 CarbonylContact O-C 3.53Å; H181-R199 WeakPolarHBondContact O-CA 3.48Å
200I94.9Very high95.9Very high5 Ų558.4 Ų58.43%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-137133.6-169.8-62.8166000108.9C120 F148 I180 H181 F183 R198 L202 L205C120-I200 HydrophobicContact CB-CD1 4.02Å; C120-I200 WeakPolarHBondContact SG-CD1 3.42Å; F148-I200 HydrophobicContact CE2-CD1 4.38Å; I180-I200 CarbonylContact C-O 3.55Å; I180-I200 WeakPolarHBondContact CA-O 3.5Å; H181-I200 HydrophobicContact CB-CB 4.42Å; H181-I200 PolarHBondContact N-O 2.85Å; H181-I200 PolarHBondContact O-N 2.05Å; F183-I200 HydrophobicContact CB-CD1 3.78Å; R198-I200 HydrophobicContact CG-CG1 4.07Å; I200-L202 HydrophobicContact CG2-CD2 3.68Å; I200-L202 HydrophobicContact CG2-CG 4.34Å; I200-L205 HydrophobicContact CB-CD1 4.46Å; I200-L205 HydrophobicContact CG1-CD1 4.44Å; I200-L205 HydrophobicContact CG2-CD1 3.48Å; I200-L205 VanDerWaalsContact CG2-CD1 3.48Å; I200-L205 HydrophobicContact CG2-CG 4.28Å
201R94.9Very high96Very high123 Ų12356.2 Ų56.246%0.46427%0.269SS..  trans-106.5114.6164.4-65.2-178.6174.7-179.71.6106.9T179 I180 E204 L205T179-R201 WeakPolarHBondContact O-CG 3.25Å; I180-R201 HydrophobicContact CG1-CG 4.21Å; R201-E204 HydrophobicContact CB-CB 4.1Å; R201-E204 HydrophobicContact CB-CG 4Å; R201-E204 WeakPolarHBondContact CD-OE1 3.25Å; R201-E204 WeakPolarHBondContact CD-OE2 3.44Å; R201-E204 IonicContact CZ-OE1 3.71Å; R201-E204 IonicContact NE-OE1 3.4Å; R201-E204 IonicContact NH1-OE1 3.42Å; R201-E204 PolarHBondContact NH1-OE1 2.84Å; R201-E204 PolarHBondContact O-N 3.23Å; R201-L205 PolarHBondContact O-N 2.72Å
202L95Very high96.1Very high0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-70.5-38.3-168.9-68.5178.1000111.8V122 V128 F148 P174 F176 H181 I200 E204 L205 L206V122-L202 HydrophobicContact CG2-CD2 3.7Å; V128-L202 HydrophobicContact CG1-CD2 4.29Å; V128-L202 HydrophobicContact CG2-CD1 4.31Å; V128-L202 HydrophobicContact CG2-CD2 3.59Å; F148-L202 HydrophobicContact CZ-CD1 4.27Å; F148-L202 HydrophobicContact CZ-CD2 4.28Å; P174-L202 HydrophobicContact CB-CD1 3.75Å; P174-L202 HydrophobicContact CG-CD1 4.07Å; F176-L202 HydrophobicContact CD2-CB 3.83Å; F176-L202 HydrophobicContact CD2-CD1 4.27Å; F176-L202 HydrophobicContact CE2-CB 3.83Å; H181-L202 WeakPolarHBondContact CE1-CD1 3.45Å; H181-L202 WeakPolarHBondContact ND1-CD1 3.2Å; I200-L202 HydrophobicContact CG2-CD2 3.68Å; I200-L202 HydrophobicContact CG2-CG 4.34Å; L202-E204 PolarHBondContact O-N 2.88Å; L202-L205 CarbonylContact O-C 3.54Å; L202-L205 PolarHBondContact O-N 2.73Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 PolarHBondContact O-N 2.97Å
203N94.4Very high96.1Very high41 Ų4161 Ų6122%0.21929%0.286CS..Hα-helixtrans-56.6-44.217365.4-32.4000112.7F176 L206 S290 E292 S293F176-N203 HydrophobicContact CE1-CB 4.48Å; F176-N203 HydrophobicContact CZ-CB 4.36Å; N203-L206 WeakPolarHBondContact O-CB 3.1Å; N203-L206 PolarHBondContact O-N 2.64Å; N203-S290 WeakPolarHBondContact CB-OG 3.38Å; N203-E292 PolarHBondContact ND2-OE2 2.96Å; N203-S293 WeakPolarHBondContact O-CA 3.44Å
204E95.6Very high96.3Very high71 Ų7158.4 Ų58.433%0.33227%0.267SS..Hα-helixtrans-72.9-26.8179-65177.6-170.100113.2R201 L202 E292 Q294R201-E204 HydrophobicContact CB-CB 4.1Å; R201-E204 HydrophobicContact CB-CG 4Å; R201-E204 WeakPolarHBondContact CD-OE1 3.25Å; R201-E204 WeakPolarHBondContact CD-OE2 3.44Å; R201-E204 IonicContact CZ-OE1 3.71Å; R201-E204 IonicContact NE-OE1 3.4Å; R201-E204 IonicContact NH1-OE1 3.42Å; R201-E204 PolarHBondContact NH1-OE1 2.84Å; R201-E204 PolarHBondContact O-N 3.23Å; L202-E204 PolarHBondContact O-N 2.88Å; E204-E292 HydrophobicContact CG-CB 4.47Å; E204-Q294 PolarHBondContact O-NE2 2.95Å
205L96.7Very high96.3Very high39 Ų3959.7 Ų59.720%0.20427%0.272CS..Hα-helixtrans-91-11176.2-70.5-168.7000113.7C120 V122 I200 R201 L202 K207C120-L205 HydrophobicContact CB-CD1 4.34Å; V122-L205 HydrophobicContact CB-CB 4.3Å; V122-L205 HydrophobicContact CG2-CB 3.75Å; I200-L205 HydrophobicContact CB-CD1 4.46Å; I200-L205 HydrophobicContact CG1-CD1 4.44Å; I200-L205 HydrophobicContact CG2-CD1 3.48Å; I200-L205 VanDerWaalsContact CG2-CD1 3.48Å; I200-L205 HydrophobicContact CG2-CG 4.28Å; R201-L205 PolarHBondContact O-N 2.72Å; L202-L205 CarbonylContact O-C 3.54Å; L202-L205 PolarHBondContact O-N 2.73Å; L205-K207 PolarHBondContact O-N 2.76Å; L205-K207 VanDerWaalsContact O-N 3.13Å
206L97.3Very high96.5Very high0 Ų058.2 Ų58.20%026%0.263CS..BIsolated β-bridgetrans-60.5114.6178.617962.6000108.6V122 F176 L202 N203 W236 D287 Q294V122-L206 HydrophobicContact CG1-CB 4.42Å; V122-L206 HydrophobicContact CG1-CD1 4.02Å; V122-L206 CarbonylContact O-C 3.54Å; V122-L206 WeakPolarHBondContact O-CA 3.33Å; F176-L206 HydrophobicContact CE2-CB 4.33Å; F176-L206 HydrophobicContact CE2-CD1 4.38Å; F176-L206 HydrophobicContact CE2-CD2 4.25Å; F176-L206 HydrophobicContact CZ-CB 4.22Å; F176-L206 HydrophobicContact CZ-CD2 3.73Å; F176-L206 HydrophobicContact CZ-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 PolarHBondContact O-N 2.97Å; N203-L206 WeakPolarHBondContact O-CB 3.1Å; N203-L206 PolarHBondContact O-N 2.64Å; L206-W236 HydrophobicContact CD1-CH2 4.06Å; L206-W236 HydrophobicContact CD1-CZ3 3.94Å; L206-W236 HydrophobicContact CD2-CH2 4.2Å; L206-W236 HydrophobicContact CG-CH2 4.39Å; L206-D287 HydrophobicContact CD2-CB 3.67Å; L206-D287 HydrophobicContact CG-CB 4.47Å; L206-Q294 PolarHBondContact O-N 3.01Å
207K97.8Very high96.5Very high63 Ų6362.2 Ų62.227%0.27428%0.281SS..  trans-142.4104.8-179.4-176.3169173.8165.30108.6V122 P123 L205 Q294 W295 E297V122-K207 PolarHBondContact O-N 3.3Å; P123-K207 WeakPolarHBondContact CA-O 3.1Å; L205-K207 PolarHBondContact O-N 2.76Å; L205-K207 VanDerWaalsContact O-N 3.13Å; K207-Q294 HydrophobicContact CB-CB 3.96Å; K207-Q294 HydrophobicContact CD-CB 4.08Å; K207-Q294 HydrophobicContact CG-CB 4Å; K207-W295 WeakPolarHBondContact CE-O 2.91Å; K207-E297 IonicContact NZ-OE1 3.07Å; K207-E297 PolarHBondContact NZ-OE1 3.05Å
208P97.4Very high96.6Very high2 Ų259.4 Ų59.41%0.01327%0.273CS..PPolyproline II helixtrans-58.8154.7174.8-16.426.6000111.6W236 L244 Q294 S296P208-W236 HydrophobicContact CB-CE3 3.81Å; P208-W236 HydrophobicContact CB-CZ3 3.89Å; P208-W236 HydrophobicContact CG-CE3 3.96Å; P208-W236 HydrophobicContact CG-CH2 4.12Å; P208-W236 HydrophobicContact CG-CZ3 3.55Å; P208-L244 HydrophobicContact CB-CD2 4.4Å; P208-L244 HydrophobicContact CG-CD2 3.93Å; P208-Q294 WeakPolarHBondContact CD-O 3Å; P208-S296 WeakPolarHBondContact O-CA 3.22Å; P208-S296 WeakPolarHBondContact O-CB 3.41Å
209D97.5Very high96.6Very high76 Ų7657 Ų5741%0.40627%0.267SS..PPolyproline II helixtrans-68.8161.5162.4-72.2-33.2000109.9P233 S235D209-P233 HydrophobicContact CB-CB 3.93Å; D209-P233 WeakPolarHBondContact O-CG 3.47Å; D209-S235 WeakPolarHBondContact OD2-CB 3.34Å; D209-S235 PolarHBondContact OD2-OG 3.42Å; D209-S235 VanDerWaalsContact OD2-OG 3.14Å
210P98Very high96.7Very high45 Ų4555 Ų5529%0.29227%0.267SS..PPolyproline II helixtrans-63.7149.3179.1-23.435.4000112.9E297P210-E297 WeakPolarHBondContact CB-O 3.44Å; P210-E297 HydrophobicContact CG-CB 3.89Å; P210-E297 WeakPolarHBondContact CG-O 3.46Å
211P97.8Very high96.7Very high7 Ų757.3 Ų57.35%0.04529%0.292CS..PPolyproline II helixtrans-52.6144.3170.1-27.236.3000111.9W230 F246 V283 A285P211-W230 HydrophobicContact CB-CB 4.34Å; P211-W230 HydrophobicContact CB-CG 4.28Å; P211-F246 HydrophobicContact CG-CD1 3.93Å; P211-F246 HydrophobicContact CG-CE1 3.98Å; P211-V283 HydrophobicContact CB-CB 4.46Å; P211-V283 HydrophobicContact CB-CG1 4.38Å; P211-V283 HydrophobicContact CG-CB 4.31Å; P211-V283 HydrophobicContact CG-CG1 3.95Å; P211-A285 HydrophobicContact CG-CB 3.91Å
212R96.1Very high96.7Very high103 Ų10353.4 Ų53.439%0.38928%0.28SS..EExtended strand (participates in β ladder)trans-108158.7-176.971.2-171.9178114.2-4.3110.6V214 K231 N232R212-V214 VanDerWaalsContact C-N 3.34Å; R212-V214 PolarHBondContact O-N 2.9Å; R212-K231 HydrophobicContact CG-CB 3.65Å; R212-K231 PolarHBondContact N-O 1.97Å; R212-K231 PolarHBondContact O-N 3.36Å; R212-N232 VanDerWaalsContact CD-O 3.28Å; R212-N232 WeakPolarHBondContact CD-O 3.48Å; R212-N232 WeakPolarHBondContact CG-O 3.32Å; R212-N232 PolarHBondContact NE-O 2.7Å
213S96.3Very high96.7Very high78 Ų7856.1 Ų56.155%0.54530%0.298SS..EExtended strand (participates in β ladder)trans55.146.2173.9-53.20000113.3F215S213-F215 PolarHBondContact O-N 3.42Å
214V98Very high96.8Very high21 Ų2156 Ų5613%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-62.7118.8171.6-179.20000108R212 V228 T229 W230 V283 S302R212-V214 VanDerWaalsContact C-N 3.34Å; R212-V214 PolarHBondContact O-N 2.9Å; V214-V228 HydrophobicContact CG1-CG1 4.07Å; V214-T229 WeakPolarHBondContact CA-O 3.48Å; V214-W230 HydrophobicContact CG2-CB 4.13Å; V214-V283 HydrophobicContact CG1-CG2 4.16Å; V214-V283 HydrophobicContact CG2-CB 4.29Å; V214-V283 HydrophobicContact CG2-CG2 4.03Å; V214-S302 PolarHBondContact O-OG 2.75Å
215F98Very high96.8Very high101 Ų10155.3 Ų55.344%0.44330%0.296SS..EExtended strand (participates in β ladder)trans-125.4139.4-178.5-172.1-114.1000109.1S213 E217 V228 T229S213-F215 PolarHBondContact O-N 3.42Å; F215-E217 HydrophobicContact CD1-CG 3.67Å; F215-E217 HydrophobicContact CE1-CG 3.24Å; F215-E217 WeakPolarHBondContact CE1-OE1 3.33Å; F215-E217 HydrophobicContact CZ-CG 4.18Å; F215-V228 CarbonylContact O-C 3.25Å; F215-V228 WeakPolarHBondContact O-CA 3.49Å; F215-T229 PolarHBondContact N-O 2.91Å; F215-T229 PolarHBondContact O-N 3.38Å
216I98.1Very high96.9Very high5 Ų553.5 Ų53.53%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-120.8130.6-179.5-48.8168.3000106.4L226 W227 V228 V281 R304I216-L226 HydrophobicContact CG2-CB 3.87Å; I216-L226 HydrophobicContact CG2-CD1 4.09Å; I216-L226 HydrophobicContact CG2-CD2 3.92Å; I216-L226 HydrophobicContact CG2-CG 4.18Å; I216-W227 CarbonylContact C-O 3.55Å; I216-W227 WeakPolarHBondContact CA-O 3.33Å; I216-V228 HydrophobicContact CG1-CG1 4.42Å; I216-V228 HydrophobicContact CG1-CG2 4.42Å; I216-V228 HydrophobicContact CG2-CG2 4.28Å; I216-V281 HydrophobicContact CD1-CB 3.85Å; I216-V281 HydrophobicContact CD1-CG2 3.6Å; I216-V281 HydrophobicContact CG1-CB 4.48Å; I216-V281 HydrophobicContact CG1-CG2 4.34Å; I216-R304 HydrophobicContact CB-CB 3.83Å; I216-R304 HydrophobicContact CD1-CB 4.14Å; I216-R304 HydrophobicContact CG2-CB 3.69Å; I216-R304 HydrophobicContact CG2-CG 4.23Å; I216-R304 WeakPolarHBondContact O-CD 3.32Å; I216-R304 PolarHBondContact O-NE 2.8Å
217E97.1Very high97Very high90 Ų9058 Ų5842%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-114.5146.1174.7-68.4178.1146.700109.7F215 W227F215-E217 HydrophobicContact CD1-CG 3.67Å; F215-E217 HydrophobicContact CE1-CG 3.24Å; F215-E217 WeakPolarHBondContact CE1-OE1 3.33Å; F215-E217 HydrophobicContact CZ-CG 4.18Å; E217-W227 HydrophobicContact CB-CB 4.27Å; E217-W227 PolarHBondContact N-O 2.94Å; E217-W227 PolarHBondContact O-N 2.81Å
218E96.9Very high97Very high82 Ų8255 Ų5538%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-76.3140.9170.1-78.3156.4-123.600109.6R304 T305 W307E218-R304 HydrophobicContact CG-CG 4.22Å; E218-R304 IonicContact OE1-CZ 3.89Å; E218-R304 IonicContact OE1-NH1 2.76Å; E218-R304 PolarHBondContact OE1-NH1 2.97Å; E218-T305 VanDerWaalsContact CG-O 3.26Å; E218-T305 WeakPolarHBondContact CG-O 3.24Å; E218-W307 HydrophobicContact CB-CB 4.14Å
219V96.8Very high97Very high36 Ų3656.9 Ų56.922%0.21830%0.302CS..  trans-92.5107.7171.5-178.90000107.8G221 N222 K225 W227 W307V219-G221 PolarHBondContact O-N 3.41Å; V219-N222 HydrophobicContact CB-CB 4.24Å; V219-N222 HydrophobicContact CG1-CB 4.03Å; V219-N222 PolarHBondContact O-N 2.92Å; V219-K225 HydrophobicContact CB-CB 3.78Å; V219-K225 HydrophobicContact CG1-CB 4.3Å; V219-K225 HydrophobicContact CG1-CD 4.37Å; V219-K225 HydrophobicContact CG2-CB 3.75Å; V219-W227 HydrophobicContact CG2-CB 4.21Å; V219-W307 VanDerWaalsContact O-CB 3.3Å; V219-W307 WeakPolarHBondContact O-CB 3.46Å
220E95.3Very high97.1Very high168 Ų16853.8 Ų53.879%0.78528%0.284SS*.THydrogen-bonded Turntrans-54135.2-177.7-171.7171.8-167.500111.6N222E220-N222 PolarHBondContact O-N 2.82Å
221G94.9Very high97Very high52 Ų5257.1 Ų57.154%0.53629%0.294SS..THydrogen-bonded Turntrans76.4-2.2-175.800000115.1V219 W307V219-G221 PolarHBondContact O-N 3.41Å; G221-W307 VanDerWaalsContact N-CD2 3.29Å
222N95.7Very high97Very high42 Ų4259 Ų5923%0.22530%0.304CS..  trans-124.8106.4-178.2-162.1-53.9000113.4V219 E220 S224 K225V219-N222 HydrophobicContact CB-CB 4.24Å; V219-N222 HydrophobicContact CG1-CB 4.03Å; V219-N222 PolarHBondContact O-N 2.92Å; E220-N222 PolarHBondContact O-N 2.82Å; N222-S224 PolarHBondContact O-N 2.85Å; N222-S224 PolarHBondContact OD1-N 3.06Å; N222-S224 PolarHBondContact OD1-OG 3.22Å; N222-S224 VanDerWaalsContact OD1-OG 3.13Å; N222-K225 HydrophobicContact CB-CB 4.01Å; N222-K225 HydrophobicContact CB-CD 4.14Å; N222-K225 HydrophobicContact CB-CG 4.25Å; N222-K225 VanDerWaalsContact CG-CG 3.44Å; N222-K225 VanDerWaalsContact ND2-CD 3.31Å; N222-K225 WeakPolarHBondContact ND2-CD 3.27Å; N222-K225 WeakPolarHBondContact ND2-CE 3.44Å; N222-K225 WeakPolarHBondContact OD1-CG 3.31Å; N222-K225 PolarHBondContact OD1-N 3.4Å; N222-K225 VanDerWaalsContact OD1-N 3.11Å
223P95.4Very high97Very high57 Ų5754.3 Ų54.337%0.3729%0.287SS..THydrogen-bonded Turntrans-79.4-0.6-176.733.9-37000114.3P275 P306 W307P223-P275 HydrophobicContact CB-CB 4.47Å; P223-P275 WeakPolarHBondContact O-CA 3.48Å; P223-P275 WeakPolarHBondContact O-CB 3.29Å; P223-P275 WeakPolarHBondContact O-CG 3.42Å; P223-P306 WeakPolarHBondContact O-CB 3.43Å; P223-W307 WeakPolarHBondContact CA-O 3.37Å
224S95.5Very high96.9Very high39 Ų3955.9 Ų55.927%0.27330%0.298SS..THydrogen-bonded Turntrans-119.44.8178.270.40000113.6N222 P271 D272 A273N222-S224 PolarHBondContact O-N 2.85Å; N222-S224 PolarHBondContact OD1-N 3.06Å; N222-S224 PolarHBondContact OD1-OG 3.22Å; N222-S224 VanDerWaalsContact OD1-OG 3.13Å; S224-P271 CarbonylContact O-C 3.53Å; S224-P271 VanDerWaalsContact O-C 3.25Å; S224-P271 VanDerWaalsContact O-O 3.1Å; S224-P271 PolarHBondContact OG-O 2.93Å; S224-D272 CarbonylContact O-C 3.53Å; S224-D272 PolarHBondContact O-N 3.15Å; S224-A273 WeakPolarHBondContact CA-O 3.25Å; S224-A273 WeakPolarHBondContact O-CB 3.28Å; S224-A273 PolarHBondContact O-N 2.91Å
225K97.3Very high96.7Very high56 Ų5656 Ų5624%0.24330%0.3CS..  trans-113.6143.1-178.5-73-176.1178.8-151.90112.6V219 N222 E269 I270V219-K225 HydrophobicContact CB-CB 3.78Å; V219-K225 HydrophobicContact CG1-CB 4.3Å; V219-K225 HydrophobicContact CG1-CD 4.37Å; V219-K225 HydrophobicContact CG2-CB 3.75Å; N222-K225 HydrophobicContact CB-CB 4.01Å; N222-K225 HydrophobicContact CB-CD 4.14Å; N222-K225 HydrophobicContact CB-CG 4.25Å; N222-K225 VanDerWaalsContact CG-CG 3.44Å; N222-K225 VanDerWaalsContact ND2-CD 3.31Å; N222-K225 WeakPolarHBondContact ND2-CD 3.27Å; N222-K225 WeakPolarHBondContact ND2-CE 3.44Å; N222-K225 WeakPolarHBondContact OD1-CG 3.31Å; N222-K225 PolarHBondContact OD1-N 3.4Å; N222-K225 VanDerWaalsContact OD1-N 3.11Å; K225-E269 HydrophobicContact CD-CG 4.37Å; K225-E269 WeakPolarHBondContact CD-OE1 3.34Å; K225-E269 VanDerWaalsContact CE-OE1 3.23Å; K225-E269 WeakPolarHBondContact CE-OE1 3.15Å; K225-E269 IonicContact NZ-OE1 3.35Å; K225-E269 PolarHBondContact NZ-OE1 3.32Å; K225-E269 IonicContact NZ-OE2 3.66Å; K225-E269 PolarHBondContact NZ-OE2 3.01Å; K225-I270 VanDerWaalsContact CA-O 3.3Å; K225-I270 WeakPolarHBondContact CA-O 3.43Å
226L97.9Very high96.5Very high0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-133.9133.1171-68172.9000109.1I216 I270 A273 N279 R304 P306I216-L226 HydrophobicContact CG2-CB 3.87Å; I216-L226 HydrophobicContact CG2-CD1 4.09Å; I216-L226 HydrophobicContact CG2-CD2 3.92Å; I216-L226 HydrophobicContact CG2-CG 4.18Å; L226-I270 HydrophobicContact CB-CB 4.31Å; L226-I270 PolarHBondContact N-O 3.48Å; L226-I270 VanDerWaalsContact N-O 3.13Å; L226-I270 PolarHBondContact O-N 2.81Å; L226-A273 HydrophobicContact CB-CB 4.42Å; L226-A273 HydrophobicContact CD1-CB 3.58Å; L226-A273 HydrophobicContact CG-CB 3.7Å; L226-N279 HydrophobicContact CD1-CB 3.8Å; L226-R304 HydrophobicContact CD2-CB 4.45Å; L226-R304 HydrophobicContact CD2-CG 4.14Å; L226-P306 HydrophobicContact CD1-CG 4.39Å; L226-P306 HydrophobicContact CD2-CB 4.3Å; L226-P306 HydrophobicContact CD2-CG 4.23Å; L226-P306 HydrophobicContact CG-CG 4.23Å
227W98.2Very high96.1Very high96 Ų9653 Ų5336%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-94.7124.1172-174.6-101.2000109.1I216 E217 V219 T229 E269I216-W227 CarbonylContact C-O 3.55Å; I216-W227 WeakPolarHBondContact CA-O 3.33Å; E217-W227 HydrophobicContact CB-CB 4.27Å; E217-W227 PolarHBondContact N-O 2.94Å; E217-W227 PolarHBondContact O-N 2.81Å; V219-W227 HydrophobicContact CG2-CB 4.21Å; W227-T229 VanDerWaalsContact NE1-CG2 3.31Å; W227-E269 HydrophobicContact CE3-CB 3.82Å; W227-E269 HydrophobicContact CE3-CG 4.37Å; W227-E269 HydrophobicContact CZ3-CB 3.93Å
228V98.4Very high95.5Very high0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-116.5131.4-176-170.70000109.3V214 F215 I216 W230 S267 I268 I270 V281V214-V228 HydrophobicContact CG1-CG1 4.07Å; F215-V228 CarbonylContact O-C 3.25Å; F215-V228 WeakPolarHBondContact O-CA 3.49Å; I216-V228 HydrophobicContact CG1-CG1 4.42Å; I216-V228 HydrophobicContact CG1-CG2 4.42Å; I216-V228 HydrophobicContact CG2-CG2 4.28Å; V228-W230 HydrophobicContact CB-CZ3 4.2Å; V228-W230 HydrophobicContact CG1-CE3 3.95Å; V228-W230 HydrophobicContact CG1-CZ3 3.89Å; V228-S267 CarbonylContact O-C 3.59Å; V228-S267 WeakPolarHBondContact O-CA 3.44Å; V228-I268 HydrophobicContact CB-CG2 4.28Å; V228-I268 PolarHBondContact N-O 2.86Å; V228-I268 PolarHBondContact O-N 3.24Å; V228-I270 HydrophobicContact CG2-CD1 3.6Å; V228-I270 HydrophobicContact CG2-CG1 4.04Å; V228-V281 HydrophobicContact CG1-CG1 4.08Å; V228-V281 HydrophobicContact CG2-CG1 4.34Å
229T98.4Very high95Very high40 Ų4056.4 Ų56.425%0.24531%0.308CS..EExtended strand (participates in β ladder)trans-129.1152.7177.260.90000111.1V214 F215 W227 N266V214-T229 WeakPolarHBondContact CA-O 3.48Å; F215-T229 PolarHBondContact N-O 2.91Å; F215-T229 PolarHBondContact O-N 3.38Å; W227-T229 VanDerWaalsContact NE1-CG2 3.31Å; T229-N266 WeakPolarHBondContact CA-O 3.29Å
230W98.2Very high94.4Very high11 Ų1160.4 Ų60.44%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-152.5165.8175.655.387.8000112P211 V214 V228 F246 I248 T263 E265 N266 I268 V283P211-W230 HydrophobicContact CB-CB 4.34Å; P211-W230 HydrophobicContact CB-CG 4.28Å; V214-W230 HydrophobicContact CG2-CB 4.13Å; V228-W230 HydrophobicContact CB-CZ3 4.2Å; V228-W230 HydrophobicContact CG1-CE3 3.95Å; V228-W230 HydrophobicContact CG1-CZ3 3.89Å; W230-F246 AromaticContact CD1-CD1 3.99Å; W230-F246 AromaticContact CD1-CE1 3.76Å; W230-F246 AromaticContact CE2-CD2 4Å; W230-F246 AromaticContact CE2-CG 3.78Å; W230-F246 HydrophobicContact CZ2-CB 3.75Å; W230-F246 HydrophobicContact CZ2-CD1 4.41Å; W230-F246 AromaticContact CZ2-CD2 3.89Å; W230-F246 HydrophobicContact CZ2-CD2 3.89Å; W230-F246 AromaticContact CZ2-CG 3.74Å; W230-F246 HydrophobicContact CZ2-CG 3.74Å; W230-F246 AromaticContact NE1-CD1 3.23Å; W230-F246 AromaticContact NE1-CD2 3.48Å; W230-F246 AromaticContact NE1-CE1 3.29Å; W230-F246 VanDerWaalsContact NE1-CE1 3.29Å; W230-F246 AromaticContact NE1-CE2 3.54Å; W230-F246 AromaticContact NE1-CG 3.33Å; W230-F246 VanDerWaalsContact NE1-CG 3.33Å; W230-F246 AromaticContact NE1-CZ 3.46Å; W230-I248 HydrophobicContact CH2-CD1 3.75Å; W230-I248 HydrophobicContact CH2-CG1 3.82Å; W230-I248 HydrophobicContact CZ2-CD1 4.18Å; W230-I248 HydrophobicContact CZ2-CG1 4.49Å; W230-I248 HydrophobicContact CZ3-CG1 4.18Å; W230-T263 HydrophobicContact CH2-CG2 3.81Å; W230-T263 HydrophobicContact CZ2-CG2 3.71Å; W230-E265 WeakPolarHBondContact CZ2-O 3.3Å; W230-N266 PolarHBondContact N-O 2.9Å; W230-N266 PolarHBondContact O-ND2 3.4Å; W230-N266 VanDerWaalsContact O-ND2 3.12Å; W230-I268 HydrophobicContact CH2-CB 4.15Å; W230-I268 HydrophobicContact CH2-CG2 3.81Å; W230-I268 HydrophobicContact CZ3-CG2 3.88Å; W230-V283 HydrophobicContact CD2-CG1 3.98Å; W230-V283 HydrophobicContact CD2-CG2 4.2Å; W230-V283 HydrophobicContact CE3-CG1 4.34Å; W230-V283 HydrophobicContact CE3-CG2 3.85Å; W230-V283 HydrophobicContact CG-CG1 4.38Å; W230-V283 HydrophobicContact CZ2-CG1 4.18Å; W230-V283 HydrophobicContact CZ3-CG2 4.18Å
231K97.1Very high94.1Very high115 Ų11558.2 Ų58.250%0.533%0.327SS..EExtended strand (participates in β ladder)trans-107.9150.8173.4-65.5-177.2-179.8-176.70110.8R212R212-K231 HydrophobicContact CG-CB 3.65Å; R212-K231 PolarHBondContact N-O 1.97Å; R212-K231 PolarHBondContact O-N 3.36Å
232N96.8Very high94Very high47 Ų4757.4 Ų57.425%0.25131%0.309SS..  trans-59.4150.3171.8-69.5-2000110.8R212 L244 F246 N266R212-N232 VanDerWaalsContact CD-O 3.28Å; R212-N232 WeakPolarHBondContact CD-O 3.48Å; R212-N232 WeakPolarHBondContact CG-O 3.32Å; R212-N232 PolarHBondContact NE-O 2.7Å; N232-L244 HydrophobicContact CB-CD1 4.33Å; N232-F246 WeakPolarHBondContact OD1-CZ 2.93Å; N232-N266 PolarHBondContact OD1-ND2 3.49Å
233P96.3Very high93.9Very high4 Ų458.1 Ų58.13%0.02632%0.316CS..  trans-57.1141.4175.5-16.929.1000110D209 S235 W236 L244D209-P233 HydrophobicContact CB-CB 3.93Å; D209-P233 WeakPolarHBondContact O-CG 3.47Å; P233-S235 PolarHBondContact O-N 3.07Å; P233-S235 VanDerWaalsContact O-N 3.14Å; P233-W236 HydrophobicContact CB-CB 4.42Å; P233-W236 HydrophobicContact CG-CB 4.47Å; P233-W236 WeakPolarHBondContact O-CB 3.39Å; P233-W236 PolarHBondContact O-N 2.77Å; P233-L244 HydrophobicContact CG-CD1 4.45Å
234S94.1Very high94Very high111 Ų11155.6 Ų55.678%0.77630%0.299SS*.THydrogen-bonded Turntrans-64.8-18.8178.854.70000113.2W236S234-W236 VanDerWaalsContact C-N 3.3Å
235S93.9Very high94Very high25 Ų2558.3 Ų58.318%0.17530%0.303CS..THydrogen-bonded Turntrans-78.1-13.6173.168.20000112.8N124 D209 P233N124-S235 PolarHBondContact ND2-O 3.17Å; D209-S235 WeakPolarHBondContact OD2-CB 3.34Å; D209-S235 PolarHBondContact OD2-OG 3.42Å; D209-S235 VanDerWaalsContact OD2-OG 3.14Å; P233-S235 PolarHBondContact O-N 3.07Å; P233-S235 VanDerWaalsContact O-N 3.14Å
236W95.1Very high94.1Very high9 Ų955.6 Ų55.63%0.03429%0.292CS..SBendtrans-90.9133.3-178.5-159-98000109.8P123 N124 H125 L206 P208 P233 S234 F242 L244 D287P123-W236 VanDerWaalsContact O-CE3 3.28Å; P123-W236 VanDerWaalsContact O-CZ3 3.25Å; P123-W236 WeakPolarHBondContact O-CZ3 3.28Å; N124-W236 HydrophobicContact CB-CE3 3.92Å; N124-W236 HydrophobicContact CB-CZ3 4.07Å; H125-W236 AromaticContact CE1-CH2 3.95Å; H125-W236 AromaticContact CE1-CZ2 3.96Å; L206-W236 HydrophobicContact CD1-CH2 4.06Å; L206-W236 HydrophobicContact CD1-CZ3 3.94Å; L206-W236 HydrophobicContact CD2-CH2 4.2Å; L206-W236 HydrophobicContact CG-CH2 4.39Å; P208-W236 HydrophobicContact CB-CE3 3.81Å; P208-W236 HydrophobicContact CB-CZ3 3.89Å; P208-W236 HydrophobicContact CG-CE3 3.96Å; P208-W236 HydrophobicContact CG-CH2 4.12Å; P208-W236 HydrophobicContact CG-CZ3 3.55Å; P233-W236 HydrophobicContact CB-CB 4.42Å; P233-W236 HydrophobicContact CG-CB 4.47Å; P233-W236 WeakPolarHBondContact O-CB 3.39Å; P233-W236 PolarHBondContact O-N 2.77Å; S234-W236 VanDerWaalsContact C-N 3.3Å; W236-F242 HydrophobicContact CZ2-CB 4.31Å; W236-F242 PolarHBondContact NE1-O 3.42Å; W236-L244 HydrophobicContact CB-CD1 4.36Å; W236-L244 HydrophobicContact CD2-CD1 4.09Å; W236-L244 HydrophobicContact CD2-CD2 3.74Å; W236-L244 HydrophobicContact CD2-CG 4.09Å; W236-L244 VanDerWaalsContact CE2-CD2 3.4Å; W236-L244 HydrophobicContact CE3-CD2 4.15Å; W236-L244 HydrophobicContact CG-CD1 3.8Å; W236-L244 HydrophobicContact CG-CD2 4.32Å; W236-L244 HydrophobicContact CG-CG 4.17Å; W236-L244 HydrophobicContact CH2-CD2 3.98Å; W236-L244 HydrophobicContact CZ2-CD2 3.53Å; W236-L244 HydrophobicContact CZ2-CG 4.27Å; W236-L244 HydrophobicContact CZ3-CD2 4.27Å; W236-D287 HydrophobicContact CH2-CB 3.78Å; W236-D287 HydrophobicContact CZ2-CB 4.14Å; W236-D287 WeakPolarHBondContact CZ2-OD1 3.48Å
237P89.3Confident94.1Very high33 Ų3356.2 Ų56.221%0.21429%0.294CS..  trans-64.4141.3178.427.1-34000110.7D239 F242P237-D239 HydrophobicContact CB-CB 4.29Å; P237-D239 PolarHBondContact O-N 2.84Å; P237-F242 HydrophobicContact CG-CD2 4.49Å
238E84.6Confident94.1Very high184 Ų18451.6 Ų51.686%0.8628%0.277SS*.  trans-79.857.8170.5-63.8-174.2175.600109.8
239D85.7Confident94.1Very high60 Ų6054 Ų5432%0.32129%0.286SS..  trans-114.7120.9-180-173.1-21.9000109.5P237 L241 F242P237-D239 HydrophobicContact CB-CB 4.29Å; P237-D239 PolarHBondContact O-N 2.84Å; D239-L241 PolarHBondContact O-N 3.25Å; D239-L241 VanDerWaalsContact O-N 3.12Å; D239-L241 VanDerWaalsContact OD1-CB 3.25Å; D239-L241 WeakPolarHBondContact OD1-CB 3.4Å; D239-L241 VanDerWaalsContact OD1-CG 3.29Å; D239-L241 WeakPolarHBondContact OD1-CG 3.45Å; D239-L241 PolarHBondContact OD1-N 2.9Å; D239-F242 HydrophobicContact CB-CD2 4.09Å; D239-F242 PolarHBondContact O-N 2.9Å; D239-F242 VanDerWaalsContact O-N 3.14Å
240P84.9Confident94.1Very high120 Ų12052.7 Ų52.778%0.77928%0.277SS*.THydrogen-bonded Turntrans-63.7-14.6179.628.2-36.5000113.7F242P240-F242 PolarHBondContact O-N 3.43Å
241L89.3Confident94.1Very high122 Ų12254.7 Ų54.764%0.63928%0.284SS*.THydrogen-bonded Turntrans-72.3-16.6176-62.1176.1000113.3D239 P243 V289D239-L241 PolarHBondContact O-N 3.25Å; D239-L241 VanDerWaalsContact O-N 3.12Å; D239-L241 VanDerWaalsContact OD1-CB 3.25Å; D239-L241 WeakPolarHBondContact OD1-CB 3.4Å; D239-L241 VanDerWaalsContact OD1-CG 3.29Å; D239-L241 WeakPolarHBondContact OD1-CG 3.45Å; D239-L241 PolarHBondContact OD1-N 2.9Å; L241-P243 WeakPolarHBondContact O-CD 3.2Å; L241-V289 WeakPolarHBondContact O-CG2 3.05Å
242F91.8Very high94Very high35 Ų3550.7 Ų50.715%0.15427%0.27CS..SBendtrans-124.865.2-178.5-53.1-56.8000111.4H125 W177 W236 P237 D239 P240 V289H125-F242 AromaticContact CE1-CD1 3.56Å; H125-F242 AromaticContact CE1-CG 3.83Å; H125-F242 AromaticContact ND1-CD1 3.6Å; H125-F242 AromaticContact ND1-CG 3.52Å; W177-F242 HydrophobicContact CH2-CE1 4.22Å; W177-F242 AromaticContact CZ2-CE1 3.7Å; W177-F242 HydrophobicContact CZ2-CE1 3.7Å; W177-F242 HydrophobicContact CZ2-CZ 4.29Å; W236-F242 HydrophobicContact CZ2-CB 4.31Å; W236-F242 PolarHBondContact NE1-O 3.42Å; P237-F242 HydrophobicContact CG-CD2 4.49Å; D239-F242 HydrophobicContact CB-CD2 4.09Å; D239-F242 PolarHBondContact O-N 2.9Å; D239-F242 VanDerWaalsContact O-N 3.14Å; P240-F242 PolarHBondContact O-N 3.43Å; F242-V289 HydrophobicContact CD1-CG2 4.31Å
243P94.5Very high93.9Very high56 Ų5654.3 Ų54.336%0.36429%0.285SS..PPolyproline II helixtrans-63.6148.9177.826.7-32.2000111.2L241 D288L241-P243 WeakPolarHBondContact O-CD 3.2Å; P243-D288 HydrophobicContact CG-CB 4.19Å; P243-D288 VanDerWaalsContact O-CB 3.28Å; P243-D288 WeakPolarHBondContact O-CB 3.3Å; P243-D288 PolarHBondContact O-N 2.96Å
244L96.5Very high93.6Very high4 Ų457.6 Ų57.62%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-98.4142172.8-72.1173.1000109.4P208 N232 P233 W236 F246 A285 R286P208-L244 HydrophobicContact CB-CD2 4.4Å; P208-L244 HydrophobicContact CG-CD2 3.93Å; N232-L244 HydrophobicContact CB-CD1 4.33Å; P233-L244 HydrophobicContact CG-CD1 4.45Å; W236-L244 HydrophobicContact CB-CD1 4.36Å; W236-L244 HydrophobicContact CD2-CD1 4.09Å; W236-L244 HydrophobicContact CD2-CD2 3.74Å; W236-L244 HydrophobicContact CD2-CG 4.09Å; W236-L244 VanDerWaalsContact CE2-CD2 3.4Å; W236-L244 HydrophobicContact CE3-CD2 4.15Å; W236-L244 HydrophobicContact CG-CD1 3.8Å; W236-L244 HydrophobicContact CG-CD2 4.32Å; W236-L244 HydrophobicContact CG-CG 4.17Å; W236-L244 HydrophobicContact CH2-CD2 3.98Å; W236-L244 HydrophobicContact CZ2-CD2 3.53Å; W236-L244 HydrophobicContact CZ2-CG 4.27Å; W236-L244 HydrophobicContact CZ3-CD2 4.27Å; L244-F246 HydrophobicContact CB-CE1 4.05Å; L244-F246 HydrophobicContact CB-CE2 4.1Å; L244-F246 HydrophobicContact CB-CZ 3.62Å; L244-F246 HydrophobicContact CD1-CE1 4.26Å; L244-F246 HydrophobicContact CD1-CZ 4.19Å; L244-A285 HydrophobicContact CD1-CB 4.11Å; L244-A285 HydrophobicContact CD2-CB 4.29Å; L244-R286 CarbonylContact C-O 3.57Å; L244-R286 WeakPolarHBondContact CA-O 3.34Å; L244-R286 WeakPolarHBondContact CD2-O 3.43Å
245R96.8Very high93.6Very high96 Ų9654 Ų5436%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-99.2139.3163.4-170.5176.7-71.7159.63.4109.6M262 E264 A285 R286 D288 W295R245-M262 HydrophobicContact CG-CE 3.84Å; R245-E264 HydrophobicContact CB-CG 4.35Å; R245-E264 HydrophobicContact CG-CG 4.07Å; R245-E264 IonicContact CZ-OE1 3.93Å; R245-E264 VanDerWaalsContact CZ-OE1 3.31Å; R245-E264 IonicContact NE-OE1 2.66Å; R245-E264 PolarHBondContact NE-OE1 2.89Å; R245-E264 VanDerWaalsContact NE-OE1 3.11Å; R245-E264 IonicContact NH2-OE1 3.69Å; R245-E264 PolarHBondContact NH2-OE1 2.86Å; R245-A285 CarbonylContact O-C 3.49Å; R245-A285 WeakPolarHBondContact O-CA 3.35Å; R245-R286 PolarHBondContact N-O 3.25Å; R245-R286 PolarHBondContact O-N 2.86Å; R245-D288 HydrophobicContact CB-CB 4.37Å; R245-D288 IonicContact CZ-OD1 2.71Å; R245-D288 IonicContact NE-OD1 3.24Å; R245-D288 PolarHBondContact NE-OD1 3.34Å; R245-D288 VanDerWaalsContact NE-OD1 3.07Å; R245-D288 IonicContact NH1-OD1 2.71Å; R245-D288 IonicContact NH2-OD1 3.6Å; R245-D288 PolarHBondContact NH2-OD1 2.91Å; R245-D288 IonicContact NH2-OD2 4Å; R245-W295 WeakPolarHBondContact O-CZ3 3.15Å
246F98.3Very high93.7Very high0 Ų060.4 Ų60.40%032%0.324CS..EExtended strand (participates in β ladder)trans-110.7142.1-177.5-56.6-77.8000111.6P211 W230 N232 L244 I248 M262 T263 E265 V283 R284 A285P211-F246 HydrophobicContact CG-CD1 3.93Å; P211-F246 HydrophobicContact CG-CE1 3.98Å; W230-F246 AromaticContact CD1-CD1 3.99Å; W230-F246 AromaticContact CD1-CE1 3.76Å; W230-F246 AromaticContact CE2-CD2 4Å; W230-F246 AromaticContact CE2-CG 3.78Å; W230-F246 HydrophobicContact CZ2-CB 3.75Å; W230-F246 HydrophobicContact CZ2-CD1 4.41Å; W230-F246 AromaticContact CZ2-CD2 3.89Å; W230-F246 HydrophobicContact CZ2-CD2 3.89Å; W230-F246 AromaticContact CZ2-CG 3.74Å; W230-F246 HydrophobicContact CZ2-CG 3.74Å; W230-F246 AromaticContact NE1-CD1 3.23Å; W230-F246 AromaticContact NE1-CD2 3.48Å; W230-F246 AromaticContact NE1-CE1 3.29Å; W230-F246 VanDerWaalsContact NE1-CE1 3.29Å; W230-F246 AromaticContact NE1-CE2 3.54Å; W230-F246 AromaticContact NE1-CG 3.33Å; W230-F246 VanDerWaalsContact NE1-CG 3.33Å; W230-F246 AromaticContact NE1-CZ 3.46Å; N232-F246 WeakPolarHBondContact OD1-CZ 2.93Å; L244-F246 HydrophobicContact CB-CE1 4.05Å; L244-F246 HydrophobicContact CB-CE2 4.1Å; L244-F246 HydrophobicContact CB-CZ 3.62Å; L244-F246 HydrophobicContact CD1-CE1 4.26Å; L244-F246 HydrophobicContact CD1-CZ 4.19Å; F246-I248 HydrophobicContact CB-CD1 4.16Å; F246-M262 WeakPolarHBondContact O-CA 3.41Å; F246-T263 HydrophobicContact CB-CG2 4.2Å; F246-T263 PolarHBondContact N-O 3.3Å; F246-T263 PolarHBondContact O-N 2.88Å; F246-T263 VanDerWaalsContact O-N 3.12Å; F246-E265 WeakPolarHBondContact CD2-O 3.29Å; F246-V283 HydrophobicContact CB-CG1 4.07Å; F246-V283 HydrophobicContact CD1-CG1 4.09Å; F246-V283 HydrophobicContact CG-CG1 4.42Å; F246-R284 WeakPolarHBondContact CA-O 3.42Å; F246-A285 HydrophobicContact CD1-CB 3.86Å; F246-A285 HydrophobicContact CE1-CB 3.78Å
247H98.6Very high93.7Very high12 Ų1266.8 Ų66.86%0.05635%0.354CS..EExtended strand (participates in β ladder)trans-115.9123.9168.8-178.4-141.9000107.8E260 M261 M262 V283 R284 W295 W298H247-E260 VanDerWaalsContact CE1-CD 3.46Å; H247-E260 IonicContact CE1-OE1 3.3Å; H247-E260 IonicContact CE1-OE2 3.5Å; H247-E260 PolarHBondContact CE1-OE2 2.71Å; H247-E260 IonicContact NE2-OE2 3.56Å; H247-E260 PolarHBondContact NE2-OE2 2.8Å; H247-M261 PolarHBondContact CD2-O 2.94Å; H247-M262 HydrophobicContact CB-SD 3.52Å; H247-M262 VanDerWaalsContact CB-SD 3.52Å; H247-M262 PolarHBondContact CD2-SD 3.04Å; H247-V283 WeakPolarHBondContact O-CA 3.18Å; H247-R284 HydrophobicContact CB-CG 3.76Å; H247-R284 PolarHBondContact N-O 2.84Å; H247-R284 VanDerWaalsContact ND1-CZ 3.35Å; H247-R284 PolarHBondContact ND1-NE 2.82Å; H247-R284 PolarHBondContact ND1-NH2 3.16Å; H247-R284 PolarHBondContact O-N 3.35Å; H247-W295 HydrophobicContact CB-CE3 4.12Å; H247-W295 HydrophobicContact CB-CH2 3.67Å; H247-W295 HydrophobicContact CB-CZ2 4.29Å; H247-W295 HydrophobicContact CB-CZ3 3.56Å; H247-W298 HydrophobicContact CB-CH2 4.4Å; H247-W298 AromaticContact CE1-CH2 3.53Å; H247-W298 AromaticContact CE1-CZ2 3.79Å; H247-W298 AromaticContact CG-CH2 3.77Å; H247-W298 AromaticContact ND1-CH2 3.1Å; H247-W298 WeakPolarHBondContact ND1-CH2 3.44Å; H247-W298 AromaticContact ND1-CZ2 3.46Å; H247-W298 WeakPolarHBondContact ND1-CZ2 3.34Å; H247-W298 WeakPolarHBondContact O-CZ3 3.31Å
248I98.5Very high94.1Very high0 Ų068.4 Ų68.40%036%0.356CS..EExtended strand (participates in β ladder)trans-109.4136.6-178.9-58.786.5000107W230 F246 E260 M261 T263 I268 V281 Q282 V283W230-I248 HydrophobicContact CH2-CD1 3.75Å; W230-I248 HydrophobicContact CH2-CG1 3.82Å; W230-I248 HydrophobicContact CZ2-CD1 4.18Å; W230-I248 HydrophobicContact CZ2-CG1 4.49Å; W230-I248 HydrophobicContact CZ3-CG1 4.18Å; F246-I248 HydrophobicContact CB-CD1 4.16Å; I248-E260 CarbonylContact O-C 3.55Å; I248-E260 VanDerWaalsContact O-CA 3.29Å; I248-E260 WeakPolarHBondContact O-CA 3.2Å; I248-M261 HydrophobicContact CB-CB 4.39Å; I248-M261 PolarHBondContact N-O 3.48Å; I248-M261 PolarHBondContact O-N 2.77Å; I248-T263 HydrophobicContact CD1-CG2 3.69Å; I248-I268 HydrophobicContact CD1-CD1 4.33Å; I248-I268 HydrophobicContact CD1-CG2 4.31Å; I248-I268 HydrophobicContact CG1-CG2 4.16Å; I248-V281 HydrophobicContact CG2-CG1 3.87Å; I248-Q282 WeakPolarHBondContact CA-O 3.35Å; I248-V283 HydrophobicContact CG1-CG1 4.16Å; I248-V283 HydrophobicContact CG1-CG2 4.15Å
249R98.3Very high94.7Very high51 Ų5162 Ų6219%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-126138.5165.168.7177.5-175.8-171.5-0.6110.2W258 S259 E260 V281 Q282 W298R249-W258 HydrophobicContact CB-CB 4.42Å; R249-W258 HydrophobicContact CB-CD2 4.12Å; R249-W258 HydrophobicContact CB-CE3 3.61Å; R249-W258 HydrophobicContact CB-CG 4.49Å; R249-W258 HydrophobicContact CB-CZ3 4.15Å; R249-W258 HydrophobicContact CG-CD2 3.96Å; R249-W258 HydrophobicContact CG-CE3 3.47Å; R249-W258 VanDerWaalsContact CG-CE3 3.47Å; R249-W258 HydrophobicContact CG-CH2 4.13Å; R249-W258 HydrophobicContact CG-CZ3 3.57Å; R249-S259 CarbonylContact C-O 3.6Å; R249-S259 VanDerWaalsContact CA-O 3.24Å; R249-S259 WeakPolarHBondContact CA-O 3.39Å; R249-E260 HydrophobicContact CB-CG 4.1Å; R249-V281 WeakPolarHBondContact O-CA 3.44Å; R249-Q282 HydrophobicContact CG-CB 4.04Å; R249-Q282 VanDerWaalsContact CZ-OE1 3.28Å; R249-Q282 PolarHBondContact N-O 2.91Å; R249-Q282 PolarHBondContact O-N 3.48Å; R249-W298 HydrophobicContact CB-CH2 3.71Å; R249-W298 HydrophobicContact CB-CZ2 4.37Å; R249-W298 HydrophobicContact CB-CZ3 4.04Å; R249-W298 HydrophobicContact CG-CD2 4.34Å; R249-W298 HydrophobicContact CG-CE3 3.95Å; R249-W298 HydrophobicContact CG-CH2 3.52Å; R249-W298 HydrophobicContact CG-CZ2 4Å; R249-W298 HydrophobicContact CG-CZ3 3.52Å
250Y98.1Very high95.3Very high11 Ų1164.8 Ų64.84%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-139.4155.3177.165.8-77.6000112S259 M261 I270 D272 Q280Y250-S259 WeakPolarHBondContact CD1-O 3.44Å; Y250-S259 PolarHBondContact N-O 3.32Å; Y250-S259 PolarHBondContact O-N 2.82Å; Y250-S259 WeakPolarHBondContact OH-CB 3.33Å; Y250-M261 HydrophobicContact CE1-CG 4.13Å; Y250-M261 HydrophobicContact CE1-SD 4.08Å; Y250-I270 HydrophobicContact CD1-CD1 4.06Å; Y250-I270 HydrophobicContact CD1-CG1 4.28Å; Y250-I270 HydrophobicContact CD1-CG2 4.43Å; Y250-I270 HydrophobicContact CD2-CD1 4.23Å; Y250-I270 HydrophobicContact CD2-CG2 3.67Å; Y250-I270 HydrophobicContact CE1-CG2 4.22Å; Y250-I270 HydrophobicContact CE2-CG2 3.38Å; Y250-I270 HydrophobicContact CG-CD1 3.8Å; Y250-I270 HydrophobicContact CG-CG1 4.39Å; Y250-I270 HydrophobicContact CG-CG2 4.19Å; Y250-D272 WeakPolarHBondContact CE2-OD1 3.43Å; Y250-D272 VanDerWaalsContact CZ-OD1 3.27Å; Y250-D272 PolarHBondContact OH-OD1 3.01Å; Y250-D272 PolarHBondContact OH-OD2 2.98Å; Y250-Q280 CarbonylContact C-O 3.51Å; Y250-Q280 WeakPolarHBondContact CA-O 3.37Å
251R97.4Very high95.9Very high54 Ų5461.4 Ų61.420%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-162.8160176.165.1-179.3-176.4177.20111.2S255 H257 W258 N279 Q280R251-S255 VanDerWaalsContact CD-O 3.25Å; R251-S255 WeakPolarHBondContact CD-O 3.45Å; R251-S255 VanDerWaalsContact CZ-O 3.23Å; R251-S255 PolarHBondContact NE-O 3.41Å; R251-S255 PolarHBondContact NH1-O 2.56Å; R251-H257 WeakPolarHBondContact CB-O 3.42Å; R251-W258 HydrophobicContact CB-CD2 4.4Å; R251-W258 HydrophobicContact CB-CE3 4Å; R251-W258 HydrophobicContact CB-CZ3 4.36Å; R251-W258 HydrophobicContact CG-CD2 4.1Å; R251-W258 HydrophobicContact CG-CE3 3.72Å; R251-W258 HydrophobicContact CG-CH2 4.02Å; R251-W258 HydrophobicContact CG-CZ2 4.34Å; R251-W258 HydrophobicContact CG-CZ3 3.68Å; R251-W258 VanDerWaalsContact CZ-CZ2 3.48Å; R251-W258 VanDerWaalsContact NE-CZ2 3.32Å; R251-N279 CarbonylContact O-C 3.49Å; R251-N279 WeakPolarHBondContact O-CA 3.43Å; R251-Q280 HydrophobicContact CG-CB 4.27Å; R251-Q280 PolarHBondContact N-O 3.1Å; R251-Q280 VanDerWaalsContact NE-OE1 3.08Å; R251-Q280 PolarHBondContact O-N 2.77Å
252P96.5Very high96.3Very high30 Ų3060.1 Ų60.120%0.19531%0.309CS..EExtended strand (participates in β ladder)trans-60.7141.8164.6-22.936.4000110.8G254 S255 T274 H277P252-G254 PolarHBondContact O-N 3.09Å; P252-S255 VanDerWaalsContact O-CB 3.23Å; P252-S255 WeakPolarHBondContact O-CB 3.5Å; P252-S255 PolarHBondContact O-N 2.89Å; P252-T274 HydrophobicContact CG-CG2 4.22Å; P252-T274 WeakPolarHBondContact CG-OG1 3.37Å; P252-H277 HydrophobicContact CB-CB 4.49Å
253Q93.9Very high96.6Very high123 Ų12359.8 Ų59.858%0.57531%0.31SS*.THydrogen-bonded Turntrans-57.8125.7176.6-174.8176.21700109.7S255 S278 F303Q253-S255 VanDerWaalsContact C-N 3.35Å; Q253-S278 VanDerWaalsContact CB-O 3.23Å; Q253-S278 WeakPolarHBondContact CB-O 3.48Å; Q253-S278 PolarHBondContact N-O 2.76Å; Q253-F303 HydrophobicContact CG-CE1 4.34Å
254G89.3Confident96.6Very high74 Ų7462.2 Ų62.276%0.76332%0.316SS*.THydrogen-bonded Turntrans89.6-11.8-176.500000115P252P252-G254 PolarHBondContact O-N 3.09Å
255S95.1Very high96.6Very high36 Ų3668.1 Ų68.125%0.25234%0.344SS..  trans-68.3147.4171.5-179.80000111.3R251 P252 Q253 H257R251-S255 VanDerWaalsContact CD-O 3.25Å; R251-S255 WeakPolarHBondContact CD-O 3.45Å; R251-S255 VanDerWaalsContact CZ-O 3.23Å; R251-S255 PolarHBondContact NE-O 3.41Å; R251-S255 PolarHBondContact NH1-O 2.56Å; P252-S255 VanDerWaalsContact O-CB 3.23Å; P252-S255 WeakPolarHBondContact O-CB 3.5Å; P252-S255 PolarHBondContact O-N 2.89Å; Q253-S255 VanDerWaalsContact C-N 3.35Å; S255-H257 PolarHBondContact OG-N 3.49Å; S255-H257 PolarHBondContact OG-O 3.45Å
256M94.8Very high96.6Very high158 Ų15866.3 Ų66.378%0.77834%0.341SS*.SBendtrans-86.9-22.6172.6-63.5-169.9-63.700112.9
257H95.1Very high96.6Very high143 Ų14367.6 Ų67.666%0.66235%0.35SS*.PPolyproline II helixtrans-94.5132.6-172.9-60.3-70.8000111R251 S255R251-H257 WeakPolarHBondContact CB-O 3.42Å; S255-H257 PolarHBondContact OG-N 3.49Å; S255-H257 PolarHBondContact OG-O 3.45Å
258W97.5Very high96.6Very high67 Ų6768.2 Ų68.225%0.25435%0.354SS..PPolyproline II helixtrans-100136.1175.1-69.698.2000109.9R249 R251 Q280R249-W258 HydrophobicContact CB-CB 4.42Å; R249-W258 HydrophobicContact CB-CD2 4.12Å; R249-W258 HydrophobicContact CB-CE3 3.61Å; R249-W258 HydrophobicContact CB-CG 4.49Å; R249-W258 HydrophobicContact CB-CZ3 4.15Å; R249-W258 HydrophobicContact CG-CD2 3.96Å; R249-W258 HydrophobicContact CG-CE3 3.47Å; R249-W258 VanDerWaalsContact CG-CE3 3.47Å; R249-W258 HydrophobicContact CG-CH2 4.13Å; R249-W258 HydrophobicContact CG-CZ3 3.57Å; R251-W258 HydrophobicContact CB-CD2 4.4Å; R251-W258 HydrophobicContact CB-CE3 4Å; R251-W258 HydrophobicContact CB-CZ3 4.36Å; R251-W258 HydrophobicContact CG-CD2 4.1Å; R251-W258 HydrophobicContact CG-CE3 3.72Å; R251-W258 HydrophobicContact CG-CH2 4.02Å; R251-W258 HydrophobicContact CG-CZ2 4.34Å; R251-W258 HydrophobicContact CG-CZ3 3.68Å; R251-W258 VanDerWaalsContact CZ-CZ2 3.48Å; R251-W258 VanDerWaalsContact NE-CZ2 3.32Å; W258-Q280 HydrophobicContact CH2-CG 4Å; W258-Q280 HydrophobicContact CZ3-CG 4.45Å
259S98Very high96.5Very high51 Ų5171.5 Ų71.536%0.35737%0.369SS..EExtended strand (participates in β ladder)trans-91.4142.7159-62.50000108.5R249 Y250R249-S259 CarbonylContact C-O 3.6Å; R249-S259 VanDerWaalsContact CA-O 3.24Å; R249-S259 WeakPolarHBondContact CA-O 3.39Å; Y250-S259 WeakPolarHBondContact CD1-O 3.44Å; Y250-S259 PolarHBondContact N-O 3.32Å; Y250-S259 PolarHBondContact O-N 2.82Å; Y250-S259 WeakPolarHBondContact OH-CB 3.33Å
260E98.1Very high96.5Very high118 Ų11869 Ų6955%0.55136%0.36SS*.EExtended strand (participates in β ladder)trans-130.1142-170.8-68-169.6166.100111.5H247 I248 R249H247-E260 VanDerWaalsContact CE1-CD 3.46Å; H247-E260 IonicContact CE1-OE1 3.3Å; H247-E260 IonicContact CE1-OE2 3.5Å; H247-E260 PolarHBondContact CE1-OE2 2.71Å; H247-E260 IonicContact NE2-OE2 3.56Å; H247-E260 PolarHBondContact NE2-OE2 2.8Å; I248-E260 CarbonylContact O-C 3.55Å; I248-E260 VanDerWaalsContact O-CA 3.29Å; I248-E260 WeakPolarHBondContact O-CA 3.2Å; R249-E260 HydrophobicContact CB-CG 4.1Å
261M98.2Very high96.4Very high49 Ų4971.3 Ų71.324%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-143.5155.5-178.3-69.8-175.7149.400111.3H247 I248 Y250 I268 P271H247-M261 PolarHBondContact CD2-O 2.94Å; I248-M261 HydrophobicContact CB-CB 4.39Å; I248-M261 PolarHBondContact N-O 3.48Å; I248-M261 PolarHBondContact O-N 2.77Å; Y250-M261 HydrophobicContact CE1-CG 4.13Å; Y250-M261 HydrophobicContact CE1-SD 4.08Å; M261-I268 HydrophobicContact CB-CD1 3.87Å; M261-I268 HydrophobicContact SD-CD1 3.91Å; M261-P271 HydrophobicContact CE-CG 3.81Å
262M97.8Very high96.4Very high95 Ų9572.8 Ų72.847%0.46839%0.388SS..EExtended strand (participates in β ladder)trans-127.6140.3-179.2-64.2-72.3-60.700109.8R245 F246 H247 W295R245-M262 HydrophobicContact CG-CE 3.84Å; F246-M262 WeakPolarHBondContact O-CA 3.41Å; H247-M262 HydrophobicContact CB-SD 3.52Å; H247-M262 VanDerWaalsContact CB-SD 3.52Å; H247-M262 PolarHBondContact CD2-SD 3.04Å; M262-W295 HydrophobicContact CE-CH2 3.52Å; M262-W295 HydrophobicContact CE-CZ2 3.73Å; M262-W295 HydrophobicContact SD-CH2 4.14Å; M262-W295 HydrophobicContact SD-CZ2 4.37Å
263T97.4Very high96.4Very high27 Ų2771.5 Ų71.517%0.16638%0.379CS..EExtended strand (participates in β ladder)trans-152.9158.2173.6-175.90000110.2W230 F246 I248 E265 I268W230-T263 HydrophobicContact CH2-CG2 3.81Å; W230-T263 HydrophobicContact CZ2-CG2 3.71Å; F246-T263 HydrophobicContact CB-CG2 4.2Å; F246-T263 PolarHBondContact N-O 3.3Å; F246-T263 PolarHBondContact O-N 2.88Å; F246-T263 VanDerWaalsContact O-N 3.12Å; I248-T263 HydrophobicContact CD1-CG2 3.69Å; T263-E265 WeakPolarHBondContact CG2-O 3.43Å; T263-E265 PolarHBondContact OG1-N 3.04Å; T263-E265 VanDerWaalsContact OG1-N 3.07Å; T263-I268 HydrophobicContact CG2-CB 4.41Å; T263-I268 HydrophobicContact CG2-CD1 4.32Å
264E95.1Very high96.4Very high108 Ų10867.9 Ų67.951%0.50537%0.366SS..SBendtrans-100.1-7.7170.1-69167.1-170.800111.4R245R245-E264 HydrophobicContact CB-CG 4.35Å; R245-E264 HydrophobicContact CG-CG 4.07Å; R245-E264 IonicContact CZ-OE1 3.93Å; R245-E264 VanDerWaalsContact CZ-OE1 3.31Å; R245-E264 IonicContact NE-OE1 2.66Å; R245-E264 PolarHBondContact NE-OE1 2.89Å; R245-E264 VanDerWaalsContact NE-OE1 3.11Å; R245-E264 IonicContact NH2-OE1 3.69Å; R245-E264 PolarHBondContact NH2-OE1 2.86Å
265E96Very high96.6Very high127 Ų12766.8 Ų66.859%0.59335%0.345SS*.SBendtrans-87.6160.6176.7-61.5-174.1-177.400112W230 F246 T263 S267W230-E265 WeakPolarHBondContact CZ2-O 3.3Å; F246-E265 WeakPolarHBondContact CD2-O 3.29Å; T263-E265 WeakPolarHBondContact CG2-O 3.43Å; T263-E265 PolarHBondContact OG1-N 3.04Å; T263-E265 VanDerWaalsContact OG1-N 3.07Å; E265-S267 PolarHBondContact O-N 3.31Å
266N96.5Very high96.4Very high59 Ų5971.3 Ų71.332%0.31636%0.362SS..SBendtrans-82.510.3176.8-81.371000114T229 W230 N232T229-N266 WeakPolarHBondContact CA-O 3.29Å; W230-N266 PolarHBondContact N-O 2.9Å; W230-N266 PolarHBondContact O-ND2 3.4Å; W230-N266 VanDerWaalsContact O-ND2 3.12Å; N232-N266 PolarHBondContact OD1-ND2 3.49Å
267S97.8Very high96.3Very high26 Ų2668.7 Ų68.718%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-147.7154.3-179.852.30000111.7V228 E265V228-S267 CarbonylContact O-C 3.59Å; V228-S267 WeakPolarHBondContact O-CA 3.44Å; E265-S267 PolarHBondContact O-N 3.31Å
268I98.3Very high96.4Very high26 Ų2663.2 Ų63.213%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-154.7146.2173-162.2170.1000111.2V228 W230 I248 M261 T263V228-I268 HydrophobicContact CB-CG2 4.28Å; V228-I268 PolarHBondContact N-O 2.86Å; V228-I268 PolarHBondContact O-N 3.24Å; W230-I268 HydrophobicContact CH2-CB 4.15Å; W230-I268 HydrophobicContact CH2-CG2 3.81Å; W230-I268 HydrophobicContact CZ3-CG2 3.88Å; I248-I268 HydrophobicContact CD1-CD1 4.33Å; I248-I268 HydrophobicContact CD1-CG2 4.31Å; I248-I268 HydrophobicContact CG1-CG2 4.16Å; M261-I268 HydrophobicContact CB-CD1 3.87Å; M261-I268 HydrophobicContact SD-CD1 3.91Å; T263-I268 HydrophobicContact CG2-CB 4.41Å; T263-I268 HydrophobicContact CG2-CD1 4.32Å
269E98.2Very high96.4Very high68 Ų6860.1 Ų60.132%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-88.7123.9167.6-170.5-177.892.100109.8K225 W227 P271K225-E269 HydrophobicContact CD-CG 4.37Å; K225-E269 WeakPolarHBondContact CD-OE1 3.34Å; K225-E269 VanDerWaalsContact CE-OE1 3.23Å; K225-E269 WeakPolarHBondContact CE-OE1 3.15Å; K225-E269 IonicContact NZ-OE1 3.35Å; K225-E269 PolarHBondContact NZ-OE1 3.32Å; K225-E269 IonicContact NZ-OE2 3.66Å; K225-E269 PolarHBondContact NZ-OE2 3.01Å; W227-E269 HydrophobicContact CE3-CB 3.82Å; W227-E269 HydrophobicContact CE3-CG 4.37Å; W227-E269 HydrophobicContact CZ3-CB 3.93Å; E269-P271 WeakPolarHBondContact O-CD 3.24Å
270I98.1Very high96.3Very high0 Ų058.6 Ų58.60%030%0.301CS..EExtended strand (participates in β ladder)trans-84.1117166.3-64.7173.3000107.4K225 L226 V228 Y250 A273 V281K225-I270 VanDerWaalsContact CA-O 3.3Å; K225-I270 WeakPolarHBondContact CA-O 3.43Å; L226-I270 HydrophobicContact CB-CB 4.31Å; L226-I270 PolarHBondContact N-O 3.48Å; L226-I270 VanDerWaalsContact N-O 3.13Å; L226-I270 PolarHBondContact O-N 2.81Å; V228-I270 HydrophobicContact CG2-CD1 3.6Å; V228-I270 HydrophobicContact CG2-CG1 4.04Å; Y250-I270 HydrophobicContact CD1-CD1 4.06Å; Y250-I270 HydrophobicContact CD1-CG1 4.28Å; Y250-I270 HydrophobicContact CD1-CG2 4.43Å; Y250-I270 HydrophobicContact CD2-CD1 4.23Å; Y250-I270 HydrophobicContact CD2-CG2 3.67Å; Y250-I270 HydrophobicContact CE1-CG2 4.22Å; Y250-I270 HydrophobicContact CE2-CG2 3.38Å; Y250-I270 HydrophobicContact CG-CD1 3.8Å; Y250-I270 HydrophobicContact CG-CG1 4.39Å; Y250-I270 HydrophobicContact CG-CG2 4.19Å; I270-A273 HydrophobicContact CG2-CB 4.08Å; I270-V281 HydrophobicContact CD1-CG1 4.38Å; I270-V281 HydrophobicContact CD1-CG2 3.79Å
271P96.4Very high96.3Very high59 Ų5953 Ų5338%0.38328%0.275SS..SBendtrans-84.5-19.7-171.532.7-35.8000114.4S224 M261 E269S224-P271 CarbonylContact O-C 3.53Å; S224-P271 VanDerWaalsContact O-C 3.25Å; S224-P271 VanDerWaalsContact O-O 3.1Å; S224-P271 PolarHBondContact OG-O 2.93Å; M261-P271 HydrophobicContact CE-CG 3.81Å; E269-P271 WeakPolarHBondContact O-CD 3.24Å
272D96.2Very high96.3Very high85 Ų8551.5 Ų51.546%0.45527%0.268SS..  trans-134.837.3-166.564.8-23.1000112.4S224 Y250S224-D272 CarbonylContact O-C 3.53Å; S224-D272 PolarHBondContact O-N 3.15Å; Y250-D272 WeakPolarHBondContact CE2-OD1 3.43Å; Y250-D272 VanDerWaalsContact CZ-OD1 3.27Å; Y250-D272 PolarHBondContact OH-OD1 3.01Å; Y250-D272 PolarHBondContact OH-OD2 2.98Å
273A96Very high96.4Very high2 Ų247 Ų472%0.01725%0.245CC..PPolyproline II helixtrans-59.1138.7169.400000110.1S224 L226 I270 P275 P306S224-A273 WeakPolarHBondContact CA-O 3.25Å; S224-A273 WeakPolarHBondContact O-CB 3.28Å; S224-A273 PolarHBondContact O-N 2.91Å; L226-A273 HydrophobicContact CB-CB 4.42Å; L226-A273 HydrophobicContact CD1-CB 3.58Å; L226-A273 HydrophobicContact CG-CB 3.7Å; I270-A273 HydrophobicContact CG2-CB 4.08Å; A273-P275 VanDerWaalsContact O-CD 3.26Å; A273-P275 WeakPolarHBondContact O-CD 3.47Å; A273-P306 HydrophobicContact CB-CG 3.8Å
274T94.9Very high96.4Very high48 Ų4848.4 Ų48.429%0.29425%0.248SC..PPolyproline II helixtrans-72120.7-175.7-63.30000110.3P252 H277 N279P252-T274 HydrophobicContact CG-CG2 4.22Å; P252-T274 WeakPolarHBondContact CG-OG1 3.37Å; T274-H277 HydrophobicContact CG2-CB 4.01Å; T274-H277 PolarHBondContact O-N 2.82Å; T274-N279 PolarHBondContact N-OD1 3.1Å; T274-N279 PolarHBondContact O-ND2 2.82Å
275P93.8Very high96.6Very high51 Ų5143.3 Ų43.333%0.33122%0.224SC..THydrogen-bonded Turntrans-59.4147.3-179.7-23.133.1000111.8P223 A273 H277P223-P275 HydrophobicContact CB-CB 4.47Å; P223-P275 WeakPolarHBondContact O-CA 3.48Å; P223-P275 WeakPolarHBondContact O-CB 3.29Å; P223-P275 WeakPolarHBondContact O-CG 3.42Å; A273-P275 VanDerWaalsContact O-CD 3.26Å; A273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-H277 PolarHBondContact O-N 2.88Å; P275-H277 PolarHBondContact O-ND1 2.95Å
276H90.6Very high96.6Very high130 Ų13040.2 Ų40.260%0.60221%0.207SC*.THydrogen-bonded Turntrans61.11.1177-48.5-62.4000116.3
277H93.3Very high96.6Very high103 Ų10337.6 Ų37.648%0.47719%0.193SC..SBendtrans-110.2145.2176.8-66.274.3000109.8P252 T274 P275 N279 P306P252-H277 HydrophobicContact CB-CB 4.49Å; T274-H277 HydrophobicContact CG2-CB 4.01Å; T274-H277 PolarHBondContact O-N 2.82Å; P275-H277 PolarHBondContact O-N 2.88Å; P275-H277 PolarHBondContact O-ND1 2.95Å; H277-N279 PolarHBondContact O-N 2.86Å; H277-N279 PolarHBondContact O-ND2 3Å; H277-P306 WeakPolarHBondContact O-CD 3.47Å
278S96Very high96.5Very high28 Ų2838.5 Ų38.520%0.19620%0.196CC..PPolyproline II helixtrans-67.5120.2168.6-1790000108.6Q253Q253-S278 VanDerWaalsContact CB-O 3.23Å; Q253-S278 WeakPolarHBondContact CB-O 3.48Å; Q253-S278 PolarHBondContact N-O 2.76Å
279N96.9Very high96.2Very high2 Ų240.3 Ų40.31%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-97.1124.9178.6-69.8-90.9000109.1L226 R251 T274 H277 F303 R304 P306L226-N279 HydrophobicContact CD1-CB 3.8Å; R251-N279 CarbonylContact O-C 3.49Å; R251-N279 WeakPolarHBondContact O-CA 3.43Å; T274-N279 PolarHBondContact N-OD1 3.1Å; T274-N279 PolarHBondContact O-ND2 2.82Å; H277-N279 PolarHBondContact O-N 2.86Å; H277-N279 PolarHBondContact O-ND2 3Å; N279-F303 VanDerWaalsContact O-CA 3.32Å; N279-F303 WeakPolarHBondContact O-CA 3.26Å; N279-R304 PolarHBondContact N-O 2.93Å; N279-R304 PolarHBondContact O-N 2.69Å; N279-R304 VanDerWaalsContact O-N 3.15Å; N279-P306 WeakPolarHBondContact ND2-CD 3.18Å
280Q97.4Very high95.9Very high20 Ų2037.5 Ų37.59%0.09320%0.195CC..EExtended strand (participates in β ladder)trans-83.9128.1174.1-176.7-176.9-3.100109.4Y250 R251 W258 P301 S302 F303Y250-Q280 CarbonylContact C-O 3.51Å; Y250-Q280 WeakPolarHBondContact CA-O 3.37Å; R251-Q280 HydrophobicContact CG-CB 4.27Å; R251-Q280 PolarHBondContact N-O 3.1Å; R251-Q280 VanDerWaalsContact NE-OE1 3.08Å; R251-Q280 PolarHBondContact O-N 2.77Å; W258-Q280 HydrophobicContact CH2-CG 4Å; W258-Q280 HydrophobicContact CZ3-CG 4.45Å; Q280-P301 HydrophobicContact CG-CB 3.97Å; Q280-S302 CarbonylContact C-O 3.49Å; Q280-S302 VanDerWaalsContact CA-O 3.3Å; Q280-S302 WeakPolarHBondContact CA-O 3.46Å; Q280-F303 HydrophobicContact CB-CD1 3.89Å; Q280-F303 HydrophobicContact CB-CE1 3.6Å; Q280-F303 HydrophobicContact CB-CZ 4.4Å; Q280-F303 HydrophobicContact CG-CD1 4.23Å; Q280-F303 HydrophobicContact CG-CE1 3.62Å; Q280-F303 HydrophobicContact CG-CZ 3.92Å
281V98.2Very high95.5Very high0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-124.8139.6176.7-173.60000110.3I216 V228 I248 R249 I270 S302I216-V281 HydrophobicContact CD1-CB 3.85Å; I216-V281 HydrophobicContact CD1-CG2 3.6Å; I216-V281 HydrophobicContact CG1-CB 4.48Å; I216-V281 HydrophobicContact CG1-CG2 4.34Å; V228-V281 HydrophobicContact CG1-CG1 4.08Å; V228-V281 HydrophobicContact CG2-CG1 4.34Å; I248-V281 HydrophobicContact CG2-CG1 3.87Å; R249-V281 WeakPolarHBondContact O-CA 3.44Å; I270-V281 HydrophobicContact CD1-CG1 4.38Å; I270-V281 HydrophobicContact CD1-CG2 3.79Å; V281-S302 PolarHBondContact N-O 3.02Å; V281-S302 PolarHBondContact O-N 3.5Å
282Q98.3Very high95.3Very high18 Ų1844.7 Ų44.78%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-137.4147.4171.5-68.4-178.1-73.800110.4I248 R249 W298 S299 P301I248-Q282 WeakPolarHBondContact CA-O 3.35Å; R249-Q282 HydrophobicContact CG-CB 4.04Å; R249-Q282 VanDerWaalsContact CZ-OE1 3.28Å; R249-Q282 PolarHBondContact N-O 2.91Å; R249-Q282 PolarHBondContact O-N 3.48Å; Q282-W298 HydrophobicContact CB-CB 4.37Å; Q282-W298 HydrophobicContact CB-CD2 4.43Å; Q282-W298 HydrophobicContact CB-CE3 3.81Å; Q282-W298 HydrophobicContact CB-CZ3 4.46Å; Q282-W298 WeakPolarHBondContact O-CZ3 3.48Å; Q282-S299 PolarHBondContact NE2-O 2.93Å; Q282-P301 HydrophobicContact CG-CB 4.16Å
283V98.7Very high95.3Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-127.7141.3-179.4-168.70000108.9P211 V214 W230 F246 H247 I248 S299P211-V283 HydrophobicContact CB-CB 4.46Å; P211-V283 HydrophobicContact CB-CG1 4.38Å; P211-V283 HydrophobicContact CG-CB 4.31Å; P211-V283 HydrophobicContact CG-CG1 3.95Å; V214-V283 HydrophobicContact CG1-CG2 4.16Å; V214-V283 HydrophobicContact CG2-CB 4.29Å; V214-V283 HydrophobicContact CG2-CG2 4.03Å; W230-V283 HydrophobicContact CD2-CG1 3.98Å; W230-V283 HydrophobicContact CD2-CG2 4.2Å; W230-V283 HydrophobicContact CE3-CG1 4.34Å; W230-V283 HydrophobicContact CE3-CG2 3.85Å; W230-V283 HydrophobicContact CG-CG1 4.38Å; W230-V283 HydrophobicContact CZ2-CG1 4.18Å; W230-V283 HydrophobicContact CZ3-CG2 4.18Å; F246-V283 HydrophobicContact CB-CG1 4.07Å; F246-V283 HydrophobicContact CD1-CG1 4.09Å; F246-V283 HydrophobicContact CG-CG1 4.42Å; H247-V283 WeakPolarHBondContact O-CA 3.18Å; I248-V283 HydrophobicContact CG1-CG1 4.16Å; I248-V283 HydrophobicContact CG1-CG2 4.15Å; V283-S299 PolarHBondContact N-OG 3.31Å; V283-S299 VanDerWaalsContact O-CB 3.27Å; V283-S299 WeakPolarHBondContact O-CB 3.45Å; V283-S299 PolarHBondContact O-N 2.98Å; V283-S299 PolarHBondContact O-OG 2.95Å
284R98.6Very high95.4Very high57 Ų5744.7 Ų44.722%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-131.1156.6168.864.8175.4-169.4-173.9-5.9109.7F246 H247 W295 S296 W298F246-R284 WeakPolarHBondContact CA-O 3.42Å; H247-R284 HydrophobicContact CB-CG 3.76Å; H247-R284 PolarHBondContact N-O 2.84Å; H247-R284 VanDerWaalsContact ND1-CZ 3.35Å; H247-R284 PolarHBondContact ND1-NE 2.82Å; H247-R284 PolarHBondContact ND1-NH2 3.16Å; H247-R284 PolarHBondContact O-N 3.35Å; R284-W295 HydrophobicContact CB-CE3 4.46Å; R284-W295 HydrophobicContact CG-CD2 4.41Å; R284-W295 HydrophobicContact CG-CE3 3.63Å; R284-W295 HydrophobicContact CG-CZ3 4.15Å; R284-S296 WeakPolarHBondContact CA-OG 3.49Å; R284-S296 WeakPolarHBondContact CB-OG 3.41Å; R284-W298 HydrophobicContact CB-CD2 4.18Å; R284-W298 HydrophobicContact CB-CE3 3.86Å; R284-W298 HydrophobicContact CB-CZ3 4.25Å; R284-W298 HydrophobicContact CG-CD2 4.12Å; R284-W298 HydrophobicContact CG-CE3 3.79Å; R284-W298 HydrophobicContact CG-CH2 3.98Å; R284-W298 HydrophobicContact CG-CZ2 4.23Å; R284-W298 HydrophobicContact CG-CZ3 3.72Å
285A97.9Very high95.5Very high0 Ų045.1 Ų45.10%023%0.226CC..EExtended strand (participates in β ladder)trans-118156.2-177.200000111.8P211 L244 R245 F246 S296P211-A285 HydrophobicContact CG-CB 3.91Å; L244-A285 HydrophobicContact CD1-CB 4.11Å; L244-A285 HydrophobicContact CD2-CB 4.29Å; R245-A285 CarbonylContact O-C 3.49Å; R245-A285 WeakPolarHBondContact O-CA 3.35Å; F246-A285 HydrophobicContact CD1-CB 3.86Å; F246-A285 HydrophobicContact CE1-CB 3.78Å; A285-S296 PolarHBondContact N-OG 3.44Å; A285-S296 WeakPolarHBondContact O-CB 3.45Å; A285-S296 PolarHBondContact O-N 3.32Å; A285-S296 PolarHBondContact O-OG 2.96Å
286R97.4Very high95.8Very high63 Ų6342.9 Ų42.924%0.23821%0.212CC..EExtended strand (participates in β ladder)trans-144.4150.9170.2-174.1-175.9-169.6-166.59.9108.3L244 R245 D288 P291 S293 W295L244-R286 CarbonylContact C-O 3.57Å; L244-R286 WeakPolarHBondContact CA-O 3.34Å; L244-R286 WeakPolarHBondContact CD2-O 3.43Å; R245-R286 PolarHBondContact N-O 3.25Å; R245-R286 PolarHBondContact O-N 2.86Å; R286-D288 PolarHBondContact O-N 2.91Å; R286-P291 VanDerWaalsContact NH2-C 3.27Å; R286-P291 PolarHBondContact NH2-O 2.87Å; R286-S293 WeakPolarHBondContact CG-OG 3.5Å; R286-S293 PolarHBondContact NE-O 2.79Å; R286-S293 PolarHBondContact NE-OG 2.93Å; R286-S293 PolarHBondContact NH2-O 3.24Å; R286-W295 HydrophobicContact CB-CD2 3.73Å; R286-W295 HydrophobicContact CB-CE3 3.52Å; R286-W295 HydrophobicContact CB-CG 4.4Å; R286-W295 HydrophobicContact CB-CH2 3.88Å; R286-W295 HydrophobicContact CB-CZ2 4.1Å; R286-W295 HydrophobicContact CB-CZ3 3.6Å; R286-W295 HydrophobicContact CG-CD2 4.38Å
287D96.4Very high96.1Very high3 Ų342.3 Ų42.32%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-63.2131.9169.2-175.747.7000111.2H125 L206 W236 S290 S293H125-D287 IonicContact CE1-OD1 2.89Å; H125-D287 PolarHBondContact CE1-OD1 2.86Å; H125-D287 VanDerWaalsContact CE1-OD1 3.3Å; H125-D287 IonicContact CE1-OD2 3.47Å; H125-D287 IonicContact NE2-OD2 2.7Å; H125-D287 PolarHBondContact NE2-OD2 2.81Å; L206-D287 HydrophobicContact CD2-CB 3.67Å; L206-D287 HydrophobicContact CG-CB 4.47Å; W236-D287 HydrophobicContact CH2-CB 3.78Å; W236-D287 HydrophobicContact CZ2-CB 4.14Å; W236-D287 WeakPolarHBondContact CZ2-OD1 3.48Å; D287-S290 WeakPolarHBondContact OD2-CA 3.36Å; D287-S290 WeakPolarHBondContact OD2-CB 3.35Å; D287-S290 PolarHBondContact OD2-N 2.84Å; D287-S293 PolarHBondContact O-OG 2.88Å
288D94.3Very high96.4Very high46 Ų4639.8 Ų39.825%0.24620%0.196CC..SBendtrans-82.9-29.6179.2-168.254.6000112.3P243 R245 R286P243-D288 HydrophobicContact CG-CB 4.19Å; P243-D288 VanDerWaalsContact O-CB 3.28Å; P243-D288 WeakPolarHBondContact O-CB 3.3Å; P243-D288 PolarHBondContact O-N 2.96Å; R245-D288 HydrophobicContact CB-CB 4.37Å; R245-D288 IonicContact CZ-OD1 2.71Å; R245-D288 IonicContact NE-OD1 3.24Å; R245-D288 PolarHBondContact NE-OD1 3.34Å; R245-D288 VanDerWaalsContact NE-OD1 3.07Å; R245-D288 IonicContact NH1-OD1 2.71Å; R245-D288 IonicContact NH2-OD1 3.6Å; R245-D288 PolarHBondContact NH2-OD1 2.91Å; R245-D288 IonicContact NH2-OD2 4Å; R286-D288 PolarHBondContact O-N 2.91Å
289V93.1Very high96.5Very high63 Ų6338.7 Ų38.738%0.38219%0.188SC..SBendtrans-73.8-36.5-177.5-175.30000111.9W177 L241 F242 P291W177-V289 HydrophobicContact CH2-CG1 3.93Å; W177-V289 HydrophobicContact CZ3-CG1 4.42Å; L241-V289 WeakPolarHBondContact O-CG2 3.05Å; F242-V289 HydrophobicContact CD1-CG2 4.31Å; V289-P291 WeakPolarHBondContact O-CD 3.47Å
290S91.6Very high96.5Very high9 Ų942.3 Ų42.36%0.06322%0.218CC..  trans-105.395.8-177.4-163.40000111.1N203 D287 E292 S293N203-S290 WeakPolarHBondContact CB-OG 3.38Å; D287-S290 WeakPolarHBondContact OD2-CA 3.36Å; D287-S290 WeakPolarHBondContact OD2-CB 3.35Å; D287-S290 PolarHBondContact OD2-N 2.84Å; S290-E292 PolarHBondContact O-N 2.82Å; S290-E292 VanDerWaalsContact O-N 3.07Å; S290-S293 VanDerWaalsContact O-CB 3.23Å; S290-S293 WeakPolarHBondContact O-CB 3.28Å; S290-S293 PolarHBondContact O-N 2.9Å; S290-S293 PolarHBondContact O-OG 3.31Å
291P88.8Confident96.5Very high102 Ų10244.2 Ų44.266%0.66223%0.233SC*.THydrogen-bonded Turntrans-71.3-3.2-177.730.4-37.8000113.8R286 V289R286-P291 VanDerWaalsContact NH2-C 3.27Å; R286-P291 PolarHBondContact NH2-O 2.87Å; V289-P291 WeakPolarHBondContact O-CD 3.47Å
292E92.9Very high96.4Very high109 Ų10945.4 Ų45.451%0.50924%0.241SC..THydrogen-bonded Turntrans-98.3-6.2172.4-64.9-170.3172.600112.7N203 E204 S290N203-E292 PolarHBondContact ND2-OE2 2.96Å; E204-E292 HydrophobicContact CG-CB 4.47Å; S290-E292 PolarHBondContact O-N 2.82Å; S290-E292 VanDerWaalsContact O-N 3.07Å
293S96.5Very high96.4Very high3 Ų349 Ų492%0.02126%0.256CS..PPolyproline II helixtrans-62161.5178.467.60000112.4N203 R286 D287 S290N203-S293 WeakPolarHBondContact O-CA 3.44Å; R286-S293 WeakPolarHBondContact CG-OG 3.5Å; R286-S293 PolarHBondContact NE-O 2.79Å; R286-S293 PolarHBondContact NE-OG 2.93Å; R286-S293 PolarHBondContact NH2-O 3.24Å; D287-S293 PolarHBondContact O-OG 2.88Å; S290-S293 VanDerWaalsContact O-CB 3.23Å; S290-S293 WeakPolarHBondContact O-CB 3.28Å; S290-S293 PolarHBondContact O-N 2.9Å; S290-S293 PolarHBondContact O-OG 3.31Å
294Q97.7Very high96.3Very high83 Ų8353.1 Ų53.139%0.38827%0.272SS..PPolyproline II helixtrans-93.4146.6178.7-59.2178.33000110.9E204 L206 K207 P208E204-Q294 PolarHBondContact O-NE2 2.95Å; L206-Q294 PolarHBondContact O-N 3.01Å; K207-Q294 HydrophobicContact CB-CB 3.96Å; K207-Q294 HydrophobicContact CD-CB 4.08Å; K207-Q294 HydrophobicContact CG-CB 4Å; P208-Q294 WeakPolarHBondContact CD-O 3Å
295W98.1Very high96.2Very high58 Ų5853.2 Ų53.222%0.2228%0.279CS..PPolyproline II helixtrans-63.2139.8164.5-74.499.7000110.6K207 R245 H247 M262 R284 R286K207-W295 WeakPolarHBondContact CE-O 2.91Å; R245-W295 WeakPolarHBondContact O-CZ3 3.15Å; H247-W295 HydrophobicContact CB-CE3 4.12Å; H247-W295 HydrophobicContact CB-CH2 3.67Å; H247-W295 HydrophobicContact CB-CZ2 4.29Å; H247-W295 HydrophobicContact CB-CZ3 3.56Å; M262-W295 HydrophobicContact CE-CH2 3.52Å; M262-W295 HydrophobicContact CE-CZ2 3.73Å; M262-W295 HydrophobicContact SD-CH2 4.14Å; M262-W295 HydrophobicContact SD-CZ2 4.37Å; R284-W295 HydrophobicContact CB-CE3 4.46Å; R284-W295 HydrophobicContact CG-CD2 4.41Å; R284-W295 HydrophobicContact CG-CE3 3.63Å; R284-W295 HydrophobicContact CG-CZ3 4.15Å; R286-W295 HydrophobicContact CB-CD2 3.73Å; R286-W295 HydrophobicContact CB-CE3 3.52Å; R286-W295 HydrophobicContact CB-CG 4.4Å; R286-W295 HydrophobicContact CB-CH2 3.88Å; R286-W295 HydrophobicContact CB-CZ2 4.1Å; R286-W295 HydrophobicContact CB-CZ3 3.6Å; R286-W295 HydrophobicContact CG-CD2 4.38Å
296S98.4Very high96.1Very high4 Ų453.4 Ų53.43%0.02828%0.28CS..PPolyproline II helixtrans-60165.8167.277.20000110.6P208 R284 A285P208-S296 WeakPolarHBondContact O-CA 3.22Å; P208-S296 WeakPolarHBondContact O-CB 3.41Å; R284-S296 WeakPolarHBondContact CA-OG 3.49Å; R284-S296 WeakPolarHBondContact CB-OG 3.41Å; A285-S296 PolarHBondContact N-OG 3.44Å; A285-S296 WeakPolarHBondContact O-CB 3.45Å; A285-S296 PolarHBondContact O-N 3.32Å; A285-S296 PolarHBondContact O-OG 2.96Å
297E98.3Very high96.1Very high117 Ų11753.9 Ų53.955%0.54728%0.282SS..PPolyproline II helixtrans-60.8158.9161.2-60-5513400110K207 P210K207-E297 IonicContact NZ-OE1 3.07Å; K207-E297 PolarHBondContact NZ-OE1 3.05Å; P210-E297 WeakPolarHBondContact CB-O 3.44Å; P210-E297 HydrophobicContact CG-CB 3.89Å; P210-E297 WeakPolarHBondContact CG-O 3.46Å
298W98.4Very high95.8Very high50 Ų5061.5 Ų61.519%0.18931%0.311CS..PPolyproline II helixtrans-64.8141.9170.8-68.8103000110.6H247 R249 Q282 R284H247-W298 HydrophobicContact CB-CH2 4.4Å; H247-W298 AromaticContact CE1-CH2 3.53Å; H247-W298 AromaticContact CE1-CZ2 3.79Å; H247-W298 AromaticContact CG-CH2 3.77Å; H247-W298 AromaticContact ND1-CH2 3.1Å; H247-W298 WeakPolarHBondContact ND1-CH2 3.44Å; H247-W298 AromaticContact ND1-CZ2 3.46Å; H247-W298 WeakPolarHBondContact ND1-CZ2 3.34Å; H247-W298 WeakPolarHBondContact O-CZ3 3.31Å; R249-W298 HydrophobicContact CB-CH2 3.71Å; R249-W298 HydrophobicContact CB-CZ2 4.37Å; R249-W298 HydrophobicContact CB-CZ3 4.04Å; R249-W298 HydrophobicContact CG-CD2 4.34Å; R249-W298 HydrophobicContact CG-CE3 3.95Å; R249-W298 HydrophobicContact CG-CH2 3.52Å; R249-W298 HydrophobicContact CG-CZ2 4Å; R249-W298 HydrophobicContact CG-CZ3 3.52Å; Q282-W298 HydrophobicContact CB-CB 4.37Å; Q282-W298 HydrophobicContact CB-CD2 4.43Å; Q282-W298 HydrophobicContact CB-CE3 3.81Å; Q282-W298 HydrophobicContact CB-CZ3 4.46Å; Q282-W298 WeakPolarHBondContact O-CZ3 3.48Å; R284-W298 HydrophobicContact CB-CD2 4.18Å; R284-W298 HydrophobicContact CB-CE3 3.86Å; R284-W298 HydrophobicContact CB-CZ3 4.25Å; R284-W298 HydrophobicContact CG-CD2 4.12Å; R284-W298 HydrophobicContact CG-CE3 3.79Å; R284-W298 HydrophobicContact CG-CH2 3.98Å; R284-W298 HydrophobicContact CG-CZ2 4.23Å; R284-W298 HydrophobicContact CG-CZ3 3.72Å
299S98.4Very high95.4Very high6 Ų661.9 Ų61.94%0.04232%0.32CS..PPolyproline II helixtrans-57.6163.6169.770.10000111.2Q282 V283Q282-S299 PolarHBondContact NE2-O 2.93Å; V283-S299 PolarHBondContact N-OG 3.31Å; V283-S299 VanDerWaalsContact O-CB 3.27Å; V283-S299 WeakPolarHBondContact O-CB 3.45Å; V283-S299 PolarHBondContact O-N 2.98Å; V283-S299 PolarHBondContact O-OG 2.95Å
300A97.3Very high94.6Very high78 Ų7866 Ų6665%0.64534%0.34SS*.PPolyproline II helixtrans-54.2142166.600000110.1S302A300-S302 PolarHBondContact O-N 2.94Å
301P97Very high93.1Very high60 Ų6070.9 Ų70.939%0.3937%0.369SS..PPolyproline II helixtrans-65.8132.3179.729.5-35.4000110.8Q280 Q282 F303Q280-P301 HydrophobicContact CG-CB 3.97Å; Q282-P301 HydrophobicContact CG-CB 4.16Å; P301-F303 HydrophobicContact CB-CE2 3.81Å; P301-F303 HydrophobicContact CB-CZ 3.89Å; P301-F303 HydrophobicContact CG-CE2 4.07Å; P301-F303 HydrophobicContact CG-CZ 4.31Å
302S97.4Very high91Very high25 Ų2571.3 Ų71.318%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-111.9147.7174.3-60.80000109.6V214 Q280 V281 A300V214-S302 PolarHBondContact O-OG 2.75Å; Q280-S302 CarbonylContact C-O 3.49Å; Q280-S302 VanDerWaalsContact CA-O 3.3Å; Q280-S302 WeakPolarHBondContact CA-O 3.46Å; V281-S302 PolarHBondContact N-O 3.02Å; V281-S302 PolarHBondContact O-N 3.5Å; A300-S302 PolarHBondContact O-N 2.94Å
303F97.1Very high88.7Confident92 Ų9271.8 Ų71.840%0.40438%0.381SS..EExtended strand (participates in β ladder)trans-132.3135.8-171.8-61-91000110.6Q253 N279 Q280 P301Q253-F303 HydrophobicContact CG-CE1 4.34Å; N279-F303 VanDerWaalsContact O-CA 3.32Å; N279-F303 WeakPolarHBondContact O-CA 3.26Å; Q280-F303 HydrophobicContact CB-CD1 3.89Å; Q280-F303 HydrophobicContact CB-CE1 3.6Å; Q280-F303 HydrophobicContact CB-CZ 4.4Å; Q280-F303 HydrophobicContact CG-CD1 4.23Å; Q280-F303 HydrophobicContact CG-CE1 3.62Å; Q280-F303 HydrophobicContact CG-CZ 3.92Å; P301-F303 HydrophobicContact CB-CE2 3.81Å; P301-F303 HydrophobicContact CB-CZ 3.89Å; P301-F303 HydrophobicContact CG-CE2 4.07Å; P301-F303 HydrophobicContact CG-CZ 4.31Å
304R97.4Very high86Confident87 Ų8779 Ų7933%0.32841%0.414SS..EExtended strand (participates in β ladder)trans-155.3145.7169.4-175.1155.3-73.1-956.4111.5I216 E218 L226 N279I216-R304 HydrophobicContact CB-CB 3.83Å; I216-R304 HydrophobicContact CD1-CB 4.14Å; I216-R304 HydrophobicContact CG2-CB 3.69Å; I216-R304 HydrophobicContact CG2-CG 4.23Å; I216-R304 WeakPolarHBondContact O-CD 3.32Å; I216-R304 PolarHBondContact O-NE 2.8Å; E218-R304 HydrophobicContact CG-CG 4.22Å; E218-R304 IonicContact OE1-CZ 3.89Å; E218-R304 IonicContact OE1-NH1 2.76Å; E218-R304 PolarHBondContact OE1-NH1 2.97Å; L226-R304 HydrophobicContact CD2-CB 4.45Å; L226-R304 HydrophobicContact CD2-CG 4.14Å; N279-R304 PolarHBondContact N-O 2.93Å; N279-R304 PolarHBondContact O-N 2.69Å; N279-R304 VanDerWaalsContact O-N 3.15Å
305T96.5Very high83.3Confident59 Ų5980.1 Ų80.136%0.36243%0.428SS..PPolyproline II helixtrans-90.8136.2169.7-57.20000108.7E218E218-T305 VanDerWaalsContact CG-O 3.26Å; E218-T305 WeakPolarHBondContact CG-O 3.24Å
306P96.3Very high80.6Confident4 Ų482.6 Ų82.63%0.02645%0.454CS..PPolyproline II helixtrans-60.5164.8175.7-24.735.4000113.1P223 L226 A273 H277 N279P223-P306 WeakPolarHBondContact O-CB 3.43Å; L226-P306 HydrophobicContact CD1-CG 4.39Å; L226-P306 HydrophobicContact CD2-CB 4.3Å; L226-P306 HydrophobicContact CD2-CG 4.23Å; L226-P306 HydrophobicContact CG-CG 4.23Å; A273-P306 HydrophobicContact CB-CG 3.8Å; H277-P306 WeakPolarHBondContact O-CD 3.47Å; N279-P306 WeakPolarHBondContact ND2-CD 3.18Å
307W95.9Very high77.9Confident73 Ų7390 Ų9028%0.27749%0.493SS..PPolyproline II helixtrans-55.2141.8-174.8-179.383.9000111.9E218 V219 G221 P223 A309E218-W307 HydrophobicContact CB-CB 4.14Å; V219-W307 VanDerWaalsContact O-CB 3.3Å; V219-W307 WeakPolarHBondContact O-CB 3.46Å; G221-W307 VanDerWaalsContact N-CD2 3.29Å; P223-W307 WeakPolarHBondContact CA-O 3.37Å; W307-A309 HydrophobicContact CH2-CB 3.57Å; W307-A309 HydrophobicContact CZ2-CB 4.24Å; W307-A309 HydrophobicContact CZ3-CB 3.99Å
308R91.4Very high74.9Confident164 Ų16491.8 Ų91.862%0.61951%0.507SS*.  trans-129.7135.6174.3-173.9179.7179.4163.70.9109.3D310R308-D310 PolarHBondContact O-N 3.49Å
309A84.5Confident72.4Confident53 Ų5394.1 Ų94.144%0.43853%0.528SS..  trans-63.7130.2169.400000110.2W307 T311W307-A309 HydrophobicContact CH2-CB 3.57Å; W307-A309 HydrophobicContact CZ2-CB 4.24Å; W307-A309 HydrophobicContact CZ3-CB 3.99Å; A309-T311 PolarHBondContact O-N 2.66Å; A309-T311 VanDerWaalsContact O-N 3.1Å
310D77.8Confident69.4Low150 Ų150100.8 Ų100.880%0.80256%0.564SS**  trans-62.5114.2169.7-76.8-33.4000108.9R308 T312R308-D310 PolarHBondContact O-N 3.49Å; D310-T312 PolarHBondContact O-N 3.19Å
311T58.7Low66.4Low111 Ų111104.7 Ų104.768%0.68157%0.573SS**  trans-79.172.1171.3-20.10000106.9A309 T313A309-T311 PolarHBondContact O-N 2.66Å; A309-T311 VanDerWaalsContact O-N 3.1Å; T311-T313 PolarHBondContact O-N 3.18Å
312T44.9Very low63.6Low112 Ų112108.8 Ų108.869%0.68759%0.591SS**  trans-72.785.9168.4-550000106.7D310 H314D310-T312 PolarHBondContact O-N 3.19Å; T312-H314 PolarHBondContact O-N 3Å
313T44.7Very low60.7Low118 Ų118118 Ų11872%0.72462%0.623SS**  trans-66.492164-37.40000106.2T311 P315T311-T313 PolarHBondContact O-N 3.18Å; T313-P315 VanDerWaalsContact O-CD 3.3Å; T313-P315 WeakPolarHBondContact O-CD 3.49Å
314H39.2Very low57.8Low156 Ų156120.8 Ų120.872%0.72264%0.642SS**  trans-61.2118.3159-119-77.1000105.8T312 S316T312-H314 PolarHBondContact O-N 3Å; H314-S316 VanDerWaalsContact C-N 3.35Å; H314-S316 PolarHBondContact O-N 2.98Å
315P41.5Very low54.7Low106 Ų106126.1 Ų126.169%0.68867%0.668SS**  trans-69.1100.8172.127.1-27.7000106.6T313 D317T313-P315 VanDerWaalsContact O-CD 3.3Å; T313-P315 WeakPolarHBondContact O-CD 3.49Å; P315-D317 PolarHBondContact O-N 3.29Å
316S40.9Very low51.5Low110 Ų110128.1 Ų128.177%0.76968%0.684SS**  trans-75.394.6167.251.40000107.8H314 D318H314-S316 VanDerWaalsContact C-N 3.35Å; H314-S316 PolarHBondContact O-N 2.98Å; S316-D318 PolarHBondContact O-N 3.36Å
317D42.4Very low48.4Very low158 Ų158134.2 Ų134.285%0.84572%0.721SS**  trans-77.194.4154.7-79.9-29.7000107.5P315P315-D317 PolarHBondContact O-N 3.29Å
318D36.3Very low45.9Very low156 Ų156136.3 Ų136.383%0.83474%0.744SS**  trans-170.3142.1133.7-124.5-9.6000111.2S316S316-D318 PolarHBondContact O-N 3.36Å
319P44.7Very low43.5Very low98 Ų98133.9 Ų133.964%0.63675%0.75SS**  trans-96.3154.1-17836.4-27.2000113
320D36Very low41Very low147 Ų147139.4 Ų139.479%0.78677%0.766SS**  trans65109.5161.8-62.7-31.8000118.4
321D34.1Very low38.7Very low159 Ų159137.8 Ų137.885%0.8576%0.762SS**  -155.1129.5124.9-107.9-26.3000112.7
322I39Very low37.4Very low146 Ų146141.3 Ų141.375%0.74977%0.768SS**  trans-81.6120.7-179.9-65.5165.9000108.5
323Y35.2Very low36.7Very low218 Ų218141.9 Ų141.986%0.85577%0.772SS**  trans-142.3115.2151.3-84.9-76000112.5
324L36.5Very low35.9Very low152 Ų152141.1 Ų141.180%0.79677%0.771SS**  trans-79.912816717977.4000109.1
325F31.8Very low35.4Very low199 Ų199143.7 Ų143.787%0.87378%0.781SS**  trans-161.2121.7147.3-103.4-73.2000113.5
326S29.4Very low34.7Very low101 Ų101144.5 Ų144.571%0.70678%0.784SS**  trans19134.3148.9-54.80000124.2
327T32.4Very low34.3Very low132 Ų132148.4 Ų148.481%0.8179%0.789SS**  trans-60.6174.5154.237.60000112.9
328P42.1Very low33.6Very low117 Ų117143.8 Ų143.876%0.7678%0.779SS**  cis-144.4-163.422.249-27.2000114.3
329P42.2Very low33.4Very low113 Ų113143.2 Ų143.273%0.73478%0.781SS**  trans-95.2160.6-155.639.8-35.8000115.4
330E32.3Very low32.9Very low168 Ų168144.3 Ų144.379%0.78579%0.785SS**  trans-105.2125167.6-72.8-163.6160.100112.8F332E330-F332 HydrophobicContact CB-CE2 4.41Å; E330-F332 WeakPolarHBondContact OE2-CE2 3.37Å
331T28.9Very low32.8Very low117 Ų117145.8 Ų145.872%0.71879%0.788SS**  trans-99.7134.7167.8-49.80000106.9
332F31Very low32.8Very low184 Ų184146.6 Ų146.681%0.80779%0.786SS**  trans-125.1116.1162.2-83.4-78.7000111E330E330-F332 HydrophobicContact CB-CE2 4.41Å; E330-F332 WeakPolarHBondContact OE2-CE2 3.37Å
333T30Very low33.2Very low125 Ų125146.6 Ų146.677%0.76779%0.788SS**  trans-85.7140171.98.20000111.3
334S29.3Very low34Very low101 Ų101143.2 Ų143.271%0.70678%0.784SS**  trans39127.5140.4-171.50000121.1
335K27.1Very low35Very low211 Ų211138.8 Ų138.892%0.91778%0.775SS**  trans-141.5116.5135.6-101.5179.4-174.61750111.7
336T27.4Very low36.4Very low123 Ų123134.8 Ų134.876%0.75576%0.763SS**  trans-70.6137.6163.1-51.40000110.4
337H31.5Very low38.1Very low191 Ų191135.7 Ų135.788%0.88476%0.76SS**  trans-136.1116151.8-130.6-52.7000108.2
338G29.6Very low40Very low61 Ų61131.8 Ų131.863%0.62975%0.745SS**  trans-79.8145.417300000111.4
339V30.5Very low41.5Very low145 Ų145131.2 Ų131.288%0.87974%0.735SS**  trans-131.9135.4157.1174.40000106.7
340V34.5Very low43.3Very low120 Ų120129.2 Ų129.273%0.72772%0.721SS**  trans-93.8157.7-176.5163.10000110.1
341Q33.6Very low45.6Very low179 Ų179125.5 Ų125.584%0.83671%0.705SS**  trans82130.6167.9-90.3159.8-41.800115.8
342E35.3Very low48.2Very low176 Ų176125.8 Ų125.882%0.82270%0.702SS**  cis-14014437.5-91.7160.3147.900113.9D344E342-D344 PolarHBondContact O-N 3.06Å
343D47.1Very low50.8Low146 Ų146122 Ų12278%0.78169%0.689SS**  trans-84.691.6170.9-178.125.6000109.6
344D51.7Low53.6Low146 Ų146119.5 Ų119.578%0.78167%0.674SS**  trans-129.624.1169.3-104.1-11.8000111.5E342E342-D344 PolarHBondContact O-N 3.06Å
345G57Low56.5Low59 Ų59119.9 Ų119.961%0.60867%0.668SS**SBendtrans-89.9-11.1-173.300000115.7
346N61.7Low59.5Low115 Ų115116 Ų11662%0.61565%0.651SS**SBendtrans-103.5-30-167.8-143.7-7.2000113.7V350N346-V350 WeakPolarHBondContact O-CG2 3.31Å; N346-V350 PolarHBondContact O-N 3.21Å; N346-V350 VanDerWaalsContact O-N 3.17Å
347L65.4Low62.4Low121 Ų121113.3 Ų113.363%0.63464%0.637SS**Hα-helixtrans-72-41.3-176.6-168.765.7000112.5L349 V350 I351L347-L349 PolarHBondContact O-N 2.68Å; L347-V350 PolarHBondContact O-N 3.24Å; L347-I351 HydrophobicContact CG-CD1 4.05Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.32Å; L347-I351 PolarHBondContact O-N 3.42Å
348G72Confident65.3Low49 Ų49108.6 Ų108.651%0.50562%0.618SS.*Hα-helixtrans-65.4-37.3178.800000113.2I351 L352G348-I351 PolarHBondContact O-N 3.4Å; G348-L352 WeakPolarHBondContact O-CB 3.32Å; G348-L352 PolarHBondContact O-N 3.18Å
349L74Confident68.3Low106 Ų106111.9 Ų111.956%0.55562%0.615SS**Hα-helixtrans-72.3-38.4178.9-157.1140.6000111.3L347 L352 L353L347-L349 PolarHBondContact O-N 2.68Å; L349-L352 PolarHBondContact O-N 2.91Å; L349-L353 HydrophobicContact CD2-CD1 3.74Å; L349-L353 HydrophobicContact CD2-CG 4.25Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.06Å; L349-L353 PolarHBondContact O-N 2.64Å
350V78.4Confident71.3Confident71 Ų71108.8 Ų108.843%0.4359%0.592SS.*Hα-helixtrans-64.6-43.1173.4172.70000111.4N346 L347 L352 L353 V354N346-V350 WeakPolarHBondContact O-CG2 3.31Å; N346-V350 PolarHBondContact O-N 3.21Å; N346-V350 VanDerWaalsContact O-N 3.17Å; L347-V350 PolarHBondContact O-N 3.24Å; V350-L352 VanDerWaalsContact C-N 3.33Å; V350-L352 PolarHBondContact O-N 2.03Å; V350-L353 PolarHBondContact O-N 3.27Å; V350-V354 HydrophobicContact CG1-CG2 4.5Å; V350-V354 VanDerWaalsContact O-CG2 3.28Å; V350-V354 WeakPolarHBondContact O-CG2 3.46Å; V350-V354 PolarHBondContact O-N 3.31Å
351I81.4Confident74.1Confident89 Ų89108.4 Ų108.446%0.45659%0.586SS.*Hα-helixtrans-62.2-42.8175.9-68.2165.4000110.7L347 G348 L353 V354 L355L347-I351 HydrophobicContact CG-CD1 4.05Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.32Å; L347-I351 PolarHBondContact O-N 3.42Å; G348-I351 PolarHBondContact O-N 3.4Å; I351-L353 PolarHBondContact O-N 3.26Å; I351-V354 PolarHBondContact O-N 2.87Å; I351-L355 HydrophobicContact CG2-CD1 4.01Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 VanDerWaalsContact O-CG 3.31Å; I351-L355 WeakPolarHBondContact O-CG 3.3Å; I351-L355 PolarHBondContact O-N 3.07Å
352L83Confident76.8Confident123 Ų123103 Ų10364%0.64457%0.565SS**Hα-helixtrans-63.4-41.8178.4-157.9107.3000111.9G348 L349 V350 L355 F356G348-L352 WeakPolarHBondContact O-CB 3.32Å; G348-L352 PolarHBondContact O-N 3.18Å; L349-L352 PolarHBondContact O-N 2.91Å; V350-L352 VanDerWaalsContact C-N 3.33Å; V350-L352 PolarHBondContact O-N 2.03Å; L352-L355 PolarHBondContact O-N 3.27Å; L352-F356 WeakPolarHBondContact O-CB 3.35Å; L352-F356 PolarHBondContact O-N 2.81Å
353L86.3Confident79.5Confident104 Ų10497.1 Ų97.155%0.54554%0.541SS..Hα-helixtrans-65.3-40.2176.3-72.6174.8000112.1L349 V350 I351 F356 S357L349-L353 HydrophobicContact CD2-CD1 3.74Å; L349-L353 HydrophobicContact CD2-CG 4.25Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.06Å; L349-L353 PolarHBondContact O-N 2.64Å; V350-L353 PolarHBondContact O-N 3.27Å; I351-L353 PolarHBondContact O-N 3.26Å; L353-F356 PolarHBondContact O-N 2.83Å; L353-S357 WeakPolarHBondContact O-CB 3.02Å; L353-S357 PolarHBondContact O-N 2.94Å
354V89.6Confident81.7Confident74 Ų7493.5 Ų93.545%0.44852%0.524SS..Hα-helixtrans-64-46.2175.4172.30000110.4V350 I351 F356 S357 I358V350-V354 HydrophobicContact CG1-CG2 4.5Å; V350-V354 VanDerWaalsContact O-CG2 3.28Å; V350-V354 WeakPolarHBondContact O-CG2 3.46Å; V350-V354 PolarHBondContact O-N 3.31Å; I351-V354 PolarHBondContact O-N 2.87Å; V354-F356 VanDerWaalsContact C-N 3.34Å; V354-F356 PolarHBondContact O-N 2.76Å; V354-S357 PolarHBondContact O-N 3.34Å; V354-S357 PolarHBondContact O-OG 3.39Å; V354-I358 HydrophobicContact CG1-CD1 3.96Å; V354-I358 WeakPolarHBondContact O-CG1 3.33Å; V354-I358 PolarHBondContact O-N 2.96Å
355L88.9Confident83.7Confident108 Ų10891.3 Ų91.357%0.56551%0.512SS*.Hα-helixtrans-61.7-41.5176.7-70.2174000112.3I351 L352 I358 F359I351-L355 HydrophobicContact CG2-CD1 4.01Å; I351-L355 HydrophobicContact CG2-CG 4.4Å; I351-L355 VanDerWaalsContact O-CG 3.31Å; I351-L355 WeakPolarHBondContact O-CG 3.3Å; I351-L355 PolarHBondContact O-N 3.07Å; L352-L355 PolarHBondContact O-N 3.27Å; L355-I358 PolarHBondContact O-N 2.93Å; L355-F359 PolarHBondContact O-N 2.85Å
356F90.1Very high85.4Confident131 Ų13191.9 Ų91.958%0.57551%0.507SS*.Hα-helixtrans-65.1-39.7176.9-163.5-105.9000111.8L352 L353 V354 I358 F359 I360L352-F356 WeakPolarHBondContact O-CB 3.35Å; L352-F356 PolarHBondContact O-N 2.81Å; L353-F356 PolarHBondContact O-N 2.83Å; V354-F356 VanDerWaalsContact C-N 3.34Å; V354-F356 PolarHBondContact O-N 2.76Å; F356-I358 PolarHBondContact O-N 3.43Å; F356-F359 PolarHBondContact O-N 3.03Å; F356-I360 HydrophobicContact CD1-CD1 3.75Å; F356-I360 HydrophobicContact CD1-CG1 4.41Å; F356-I360 HydrophobicContact CE1-CD1 3.41Å; F356-I360 VanDerWaalsContact CE1-CD1 3.41Å; F356-I360 HydrophobicContact CE1-CG1 4.26Å; F356-I360 HydrophobicContact CZ-CD1 4.11Å; F356-I360 WeakPolarHBondContact O-CG1 3.27Å; F356-I360 PolarHBondContact O-N 2.94Å
357S89.3Confident86.8Confident66 Ų6691.6 Ų91.646%0.46251%0.505SS..Hα-helixtrans-64.1-39.8175.876.30000112.5L353 V354 I360 L361L353-S357 WeakPolarHBondContact O-CB 3.02Å; L353-S357 PolarHBondContact O-N 2.94Å; V354-S357 PolarHBondContact O-N 3.34Å; V354-S357 PolarHBondContact O-OG 3.39Å; S357-I360 PolarHBondContact O-N 2.92Å; S357-L361 WeakPolarHBondContact O-CB 3.34Å; S357-L361 PolarHBondContact O-N 3.03Å
358I92.8Very high88.2Confident92 Ų9290.6 Ų90.647%0.47250%0.499SS..Hα-helixtrans-66.7-40.8175.9-66.8167.3000110.4V354 L355 F356 L361 T362V354-I358 HydrophobicContact CG1-CD1 3.96Å; V354-I358 WeakPolarHBondContact O-CG1 3.33Å; V354-I358 PolarHBondContact O-N 2.96Å; L355-I358 PolarHBondContact O-N 2.93Å; F356-I358 PolarHBondContact O-N 3.43Å; I358-L361 PolarHBondContact O-N 3.2Å; I358-T362 HydrophobicContact CG2-CG2 4.36Å; I358-T362 WeakPolarHBondContact O-CB 3.25Å; I358-T362 VanDerWaalsContact O-CG2 3.3Å; I358-T362 WeakPolarHBondContact O-CG2 3.29Å; I358-T362 PolarHBondContact O-N 2.96Å; I358-T362 PolarHBondContact O-OG1 2.8Å
359F92.4Very high89.1Confident129 Ų12993.9 Ų93.957%0.56650%0.499SS*.Hα-helixtrans-63.8-42.7176.8-173.7-100.8000112.3L355 F356 T362 T363L355-F359 PolarHBondContact O-N 2.85Å; F356-F359 PolarHBondContact O-N 3.03Å; F359-T362 WeakPolarHBondContact CA-OG1 3.5Å; F359-T362 PolarHBondContact O-OG1 2.9Å; F359-T363 HydrophobicContact CD1-CG2 4.34Å; F359-T363 HydrophobicContact CE1-CG2 3.99Å; F359-T363 HydrophobicContact CE2-CG2 4.36Å; F359-T363 HydrophobicContact CZ-CG2 4Å; F359-T363 WeakPolarHBondContact O-CB 3.31Å; F359-T363 VanDerWaalsContact O-CG2 3.28Å; F359-T363 WeakPolarHBondContact O-CG2 3.25Å; F359-T363 PolarHBondContact O-N 2.82Å; F359-T363 PolarHBondContact O-OG1 3.27Å
360I92.7Very high90Very high80 Ų8092 Ų9241%0.4149%0.493SS..Hα-helixtrans-64.1-43.4174.2-69.1-179.3000110.7F356 S357 T362 T363 V364F356-I360 HydrophobicContact CD1-CD1 3.75Å; F356-I360 HydrophobicContact CD1-CG1 4.41Å; F356-I360 HydrophobicContact CE1-CD1 3.41Å; F356-I360 VanDerWaalsContact CE1-CD1 3.41Å; F356-I360 HydrophobicContact CE1-CG1 4.26Å; F356-I360 HydrophobicContact CZ-CD1 4.11Å; F356-I360 WeakPolarHBondContact O-CG1 3.27Å; F356-I360 PolarHBondContact O-N 2.94Å; S357-I360 PolarHBondContact O-N 2.92Å; I360-T362 PolarHBondContact O-N 2.87Å; I360-T363 WeakPolarHBondContact CA-OG1 3.14Å; I360-T363 PolarHBondContact O-N 3.28Å; I360-T363 PolarHBondContact O-OG1 2.52Å; I360-V364 HydrophobicContact CG2-CG2 4.23Å; I360-V364 WeakPolarHBondContact O-CB 3.38Å; I360-V364 VanDerWaalsContact O-CG2 3.24Å; I360-V364 WeakPolarHBondContact O-CG2 3.25Å; I360-V364 PolarHBondContact O-N 2.85Å
361L93.8Very high90.5Very high113 Ų11393.5 Ų93.559%0.59250%0.497SS*.Hα-helixtrans-64.3-41.4-178.4-150.1115000111.9S357 I358 L365S357-L361 WeakPolarHBondContact O-CB 3.34Å; S357-L361 PolarHBondContact O-N 3.03Å; I358-L361 PolarHBondContact O-N 3.2Å; L361-L365 HydrophobicContact CD2-CD1 3.87Å; L361-L365 WeakPolarHBondContact O-CB 3.34Å; L361-L365 VanDerWaalsContact O-CG 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 2.81Å
362T90.6Very high90.9Very high65 Ų6595.6 Ų95.640%0.39950%0.499SS..Hα-helixtrans-68.4-39.2178.351.80000112.7I358 F359 I360 S366I358-T362 HydrophobicContact CG2-CG2 4.36Å; I358-T362 WeakPolarHBondContact O-CB 3.25Å; I358-T362 VanDerWaalsContact O-CG2 3.3Å; I358-T362 WeakPolarHBondContact O-CG2 3.29Å; I358-T362 PolarHBondContact O-N 2.96Å; I358-T362 PolarHBondContact O-OG1 2.8Å; F359-T362 WeakPolarHBondContact CA-OG1 3.5Å; F359-T362 PolarHBondContact O-OG1 2.9Å; I360-T362 PolarHBondContact O-N 2.87Å; T362-S366 WeakPolarHBondContact O-CB 3.29Å; T362-S366 PolarHBondContact O-N 3.27Å; T362-S366 PolarHBondContact O-OG 3.4Å
363T90.6Very high91.1Very high53 Ų5392.8 Ų92.833%0.32548%0.483SS..Hα-helixtrans-67.8-41.717652.20000111.9F359 I360 S366 L367F359-T363 HydrophobicContact CD1-CG2 4.34Å; F359-T363 HydrophobicContact CE1-CG2 3.99Å; F359-T363 HydrophobicContact CE2-CG2 4.36Å; F359-T363 HydrophobicContact CZ-CG2 4Å; F359-T363 WeakPolarHBondContact O-CB 3.31Å; F359-T363 VanDerWaalsContact O-CG2 3.28Å; F359-T363 WeakPolarHBondContact O-CG2 3.25Å; F359-T363 PolarHBondContact O-N 2.82Å; F359-T363 PolarHBondContact O-OG1 3.27Å; I360-T363 WeakPolarHBondContact CA-OG1 3.14Å; I360-T363 PolarHBondContact O-N 3.28Å; I360-T363 PolarHBondContact O-OG1 2.52Å; T363-S366 PolarHBondContact O-N 3.41Å; T363-L367 WeakPolarHBondContact O-CG 3.41Å; T363-L367 PolarHBondContact O-N 3.29Å
364V94.4Very high91Very high69 Ų6996.1 Ų96.142%0.41849%0.489SS..Hα-helixtrans-64.1-46.2175.4172.10000111.3I360 S366 L367 I368I360-V364 HydrophobicContact CG2-CG2 4.23Å; I360-V364 WeakPolarHBondContact O-CB 3.38Å; I360-V364 VanDerWaalsContact O-CG2 3.24Å; I360-V364 WeakPolarHBondContact O-CG2 3.25Å; I360-V364 PolarHBondContact O-N 2.85Å; V364-S366 VanDerWaalsContact C-N 3.3Å; V364-S366 PolarHBondContact O-N 3.23Å; V364-L367 PolarHBondContact O-N 2.89Å; V364-I368 HydrophobicContact CG1-CD1 3.84Å; V364-I368 HydrophobicContact CG1-CG1 4.46Å; V364-I368 VanDerWaalsContact O-CG1 3.31Å; V364-I368 WeakPolarHBondContact O-CG1 3.28Å; V364-I368 PolarHBondContact O-N 2.91Å
365L93.4Very high90.6Very high100 Ų10098.2 Ų98.252%0.52449%0.494SS..Hα-helixtrans-61.9-38.2176.2-73.9172000112L361 I368 F369L361-L365 HydrophobicContact CD2-CD1 3.87Å; L361-L365 WeakPolarHBondContact O-CB 3.34Å; L361-L365 VanDerWaalsContact O-CG 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 2.81Å; L365-I368 PolarHBondContact O-N 3.49Å; L365-F369 WeakPolarHBondContact O-CB 3.29Å; L365-F369 PolarHBondContact O-N 3.26Å
366S91.9Very high90.3Very high72 Ų7297.3 Ų97.350%0.50349%0.485SS..Hα-helixtrans-65-42.4175.5-61.30000111.9T362 T363 V364 F369 V370T362-S366 WeakPolarHBondContact O-CB 3.29Å; T362-S366 PolarHBondContact O-N 3.27Å; T362-S366 PolarHBondContact O-OG 3.4Å; T363-S366 PolarHBondContact O-N 3.41Å; V364-S366 VanDerWaalsContact C-N 3.3Å; V364-S366 PolarHBondContact O-N 3.23Å; S366-F369 PolarHBondContact O-N 3.34Å; S366-V370 VanDerWaalsContact O-CG2 3.29Å; S366-V370 WeakPolarHBondContact O-CG2 3.37Å; S366-V370 PolarHBondContact O-N 3.34Å
367L92.8Very high89.7Confident109 Ų10999.7 Ų99.757%0.57149%0.49SS*.Hα-helixtrans-63-45.4175-81.2162000111.7T363 V364 F369 V370 I371T363-L367 WeakPolarHBondContact O-CG 3.41Å; T363-L367 PolarHBondContact O-N 3.29Å; V364-L367 PolarHBondContact O-N 2.89Å; L367-F369 VanDerWaalsContact C-N 3.32Å; L367-F369 PolarHBondContact O-N 3.43Å; L367-V370 PolarHBondContact O-N 2.9Å; L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.28Å; L367-I371 PolarHBondContact O-N 3.21Å
368I93.2Very high89.1Confident100 Ų100105.9 Ų105.951%0.51350%0.503SS..Hα-helixtrans-59.8-44.4175.7-67.8168.2000110.2V364 L365 V370 I371 W372V364-I368 HydrophobicContact CG1-CD1 3.84Å; V364-I368 HydrophobicContact CG1-CG1 4.46Å; V364-I368 VanDerWaalsContact O-CG1 3.31Å; V364-I368 WeakPolarHBondContact O-CG1 3.28Å; V364-I368 PolarHBondContact O-N 2.91Å; L365-I368 PolarHBondContact O-N 3.49Å; I368-V370 PolarHBondContact O-N 3.44Å; I368-I371 PolarHBondContact O-N 3.07Å; I368-W372 VanDerWaalsContact O-CB 3.29Å; I368-W372 WeakPolarHBondContact O-CB 3.35Å; I368-W372 PolarHBondContact O-N 3.06Å
369F92.5Very high88.3Confident117 Ų117106.4 Ų106.451%0.51350%0.504SS..Hα-helixtrans-62.7-42.4177.2-177.5-98.9000112.4L365 S366 L367 W372 M373L365-F369 WeakPolarHBondContact O-CB 3.29Å; L365-F369 PolarHBondContact O-N 3.26Å; S366-F369 PolarHBondContact O-N 3.34Å; L367-F369 VanDerWaalsContact C-N 3.32Å; L367-F369 PolarHBondContact O-N 3.43Å; F369-W372 HydrophobicContact CD2-CE3 4.02Å; F369-W372 HydrophobicContact CD2-CZ3 4.32Å; F369-W372 HydrophobicContact CE2-CE3 4Å; F369-W372 AromaticContact CE2-CZ3 3.9Å; F369-W372 HydrophobicContact CE2-CZ3 3.9Å; F369-W372 PolarHBondContact O-N 3.44Å; F369-M373 HydrophobicContact CD1-CG 4.12Å; F369-M373 HydrophobicContact CE1-CG 3.73Å; F369-M373 HydrophobicContact CE2-CG 4.28Å; F369-M373 HydrophobicContact CZ-CG 3.81Å; F369-M373 HydrophobicContact CZ-SD 4.17Å; F369-M373 WeakPolarHBondContact O-CB 3.48Å; F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.47Å; F369-M373 PolarHBondContact O-N 2.85Å
370V91.1Very high87.3Confident68 Ų68105.5 Ų105.541%0.41250%0.501SS..Hα-helixtrans-64.4-43176.4170.60000111.2S366 L367 I368 M373 R374S366-V370 VanDerWaalsContact O-CG2 3.29Å; S366-V370 WeakPolarHBondContact O-CG2 3.37Å; S366-V370 PolarHBondContact O-N 3.34Å; L367-V370 PolarHBondContact O-N 2.9Å; I368-V370 PolarHBondContact O-N 3.44Å; V370-M373 PolarHBondContact O-N 3.47Å; V370-R374 WeakPolarHBondContact O-CB 3.31Å; V370-R374 WeakPolarHBondContact O-CG 3.29Å; V370-R374 PolarHBondContact O-N 2.9Å
371I90Very high86.2Confident102 Ų102104.1 Ų104.152%0.52350%0.502SS..Hα-helixtrans-63.7-45.8176.6-68.2167.4000110L367 I368 M373 R374 Q375L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.28Å; L367-I371 PolarHBondContact O-N 3.21Å; I368-I371 PolarHBondContact O-N 3.07Å; I371-M373 PolarHBondContact O-N 3.18Å; I371-R374 PolarHBondContact O-N 3.44Å; I371-Q375 WeakPolarHBondContact O-CB 3.5Å; I371-Q375 PolarHBondContact O-N 3.4Å
372W89.7Confident85.2Confident132 Ų132102.6 Ų102.650%0.550%0.497SS..Hα-helixtrans-59.9-43.8176.1-179.866.8000112I368 F369 R374 Q375 K376I368-W372 VanDerWaalsContact O-CB 3.29Å; I368-W372 WeakPolarHBondContact O-CB 3.35Å; I368-W372 PolarHBondContact O-N 3.06Å; F369-W372 HydrophobicContact CD2-CE3 4.02Å; F369-W372 HydrophobicContact CD2-CZ3 4.32Å; F369-W372 HydrophobicContact CE2-CE3 4Å; F369-W372 AromaticContact CE2-CZ3 3.9Å; F369-W372 HydrophobicContact CE2-CZ3 3.9Å; F369-W372 PolarHBondContact O-N 3.44Å; W372-R374 PolarHBondContact O-N 3.4Å; W372-Q375 PolarHBondContact O-N 2.83Å; W372-K376 HydrophobicContact CZ2-CD 4.36Å; W372-K376 VanDerWaalsContact O-CB 3.31Å; W372-K376 WeakPolarHBondContact O-CB 3.33Å; W372-K376 PolarHBondContact O-N 3.28Å
373M86.2Confident84.2Confident64 Ų64106.1 Ų106.132%0.31551%0.507SS..Hα-helixtrans-64.1-38.7175.4-77-65.1-72.300112.4F369 V370 I371 R377F369-M373 HydrophobicContact CD1-CG 4.12Å; F369-M373 HydrophobicContact CE1-CG 3.73Å; F369-M373 HydrophobicContact CE2-CG 4.28Å; F369-M373 HydrophobicContact CZ-CG 3.81Å; F369-M373 HydrophobicContact CZ-SD 4.17Å; F369-M373 WeakPolarHBondContact O-CB 3.48Å; F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.47Å; F369-M373 PolarHBondContact O-N 2.85Å; V370-M373 PolarHBondContact O-N 3.47Å; I371-M373 PolarHBondContact O-N 3.18Å; M373-R377 WeakPolarHBondContact O-CG 3.38Å; M373-R377 PolarHBondContact O-N 3.4Å
374R85.4Confident83.1Confident175 Ų175110.7 Ų110.766%0.6653%0.525SS*.Hα-helixtrans-65.8-42174.3-76.1179.2177.8-167.50.5111.5V370 I371 W372 R377 R378V370-R374 WeakPolarHBondContact O-CB 3.31Å; V370-R374 WeakPolarHBondContact O-CG 3.29Å; V370-R374 PolarHBondContact O-N 2.9Å; I371-R374 PolarHBondContact O-N 3.44Å; W372-R374 PolarHBondContact O-N 3.4Å; R374-R377 PolarHBondContact O-N 2.84Å; R374-R378 WeakPolarHBondContact O-CG 3.43Å; R374-R378 PolarHBondContact O-N 2.82Å
375Q81.3Confident81.8Confident118 Ų118113.9 Ų113.955%0.55154%0.535SS*.Hα-helixtrans-67.3-43.5178.4-166.4170-3.500111.3I371 W372 R377 R378 E379I371-Q375 WeakPolarHBondContact O-CB 3.5Å; I371-Q375 PolarHBondContact O-N 3.4Å; W372-Q375 PolarHBondContact O-N 2.83Å; Q375-R377 PolarHBondContact O-N 3.46Å; Q375-R378 WeakPolarHBondContact O-CB 3.47Å; Q375-R378 PolarHBondContact O-N 3.33Å; Q375-R378 VanDerWaalsContact O-N 3.14Å; Q375-E379 PolarHBondContact O-N 2.96Å
376K82.2Confident80.4Confident89 Ų89114.9 Ų114.939%0.38754%0.54SS..Hα-helixtrans-61.3-41.7174.2-172.1171.9-177.7178.50112.2W372 R378 E379 H380W372-K376 HydrophobicContact CZ2-CD 4.36Å; W372-K376 VanDerWaalsContact O-CB 3.31Å; W372-K376 WeakPolarHBondContact O-CB 3.33Å; W372-K376 PolarHBondContact O-N 3.28Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.17Å; K376-E379 PolarHBondContact O-N 3.48Å; K376-H380 PolarHBondContact O-CD2 3.01Å; K376-H380 PolarHBondContact O-N 3.14Å
377R77.9Confident79.1Confident180 Ų180114.4 Ų114.468%0.67954%0.541SS*.Hα-helixtrans-61.6-40.5173.2-77.6-172.4-148-162.95.4112.2M373 R374 Q375 H380 A381M373-R377 WeakPolarHBondContact O-CG 3.38Å; M373-R377 PolarHBondContact O-N 3.4Å; R374-R377 PolarHBondContact O-N 2.84Å; Q375-R377 PolarHBondContact O-N 3.46Å; R377-H380 PolarHBondContact O-N 2.98Å; R377-A381 PolarHBondContact O-N 3.01Å
378R76Confident77.6Confident196 Ų196112.2 Ų112.274%0.7454%0.535SS*.Hα-helixtrans-64.1-42.1175.6-74.3-175.2-175.8-175.61.7112R374 Q375 K376 H380 A381 T382R374-R378 WeakPolarHBondContact O-CG 3.43Å; R374-R378 PolarHBondContact O-N 2.82Å; Q375-R378 WeakPolarHBondContact O-CB 3.47Å; Q375-R378 PolarHBondContact O-N 3.33Å; Q375-R378 VanDerWaalsContact O-N 3.14Å; K376-R378 VanDerWaalsContact C-N 3.34Å; K376-R378 PolarHBondContact O-N 3.17Å; R378-H380 PolarHBondContact O-N 3.28Å; R378-A381 PolarHBondContact O-N 3.49Å; R378-T382 PolarHBondContact O-N 2.95Å; R378-T382 PolarHBondContact O-OG1 3.19Å
379E76Confident75.9Confident103 Ų103114 Ų11448%0.48154%0.542SS..Hα-helixtrans-64.6-36.6175.6-75.6-169.3174.200113.4Q375 K376 T382 K383Q375-E379 PolarHBondContact O-N 2.96Å; K376-E379 PolarHBondContact O-N 3.48Å; E379-T382 WeakPolarHBondContact CA-OG1 3.34Å; E379-T382 PolarHBondContact O-OG1 3.03Å; E379-T382 VanDerWaalsContact O-OG1 3.05Å; E379-K383 WeakPolarHBondContact O-CB 3.4Å; E379-K383 WeakPolarHBondContact O-CG 3.45Å; E379-K383 PolarHBondContact O-N 3.05Å
380H72.5Confident74.4Confident110 Ų110113.2 Ų113.251%0.50955%0.547SS..Hα-helixtrans-67.2-40173.7-81.3-71.9000111.8K376 R377 R378 K383 Q384K376-H380 PolarHBondContact O-CD2 3.01Å; K376-H380 PolarHBondContact O-N 3.14Å; R377-H380 PolarHBondContact O-N 2.98Å; R378-H380 PolarHBondContact O-N 3.28Å; H380-K383 PolarHBondContact O-N 3.48Å; H380-Q384 WeakPolarHBondContact O-CB 3.4Å; H380-Q384 PolarHBondContact O-N 3.01Å
381A69.5Low72.8Confident52 Ų52117.9 Ų117.943%0.4356%0.562SS.*Hα-helixtrans-63.3-45175.700000111.8R377 R378 Q384 E385R377-A381 PolarHBondContact O-N 3.01Å; R378-A381 PolarHBondContact O-N 3.49Å; A381-Q384 PolarHBondContact O-N 2.97Å; A381-E385 WeakPolarHBondContact O-CG 3.39Å; A381-E385 PolarHBondContact O-N 3.23Å
382T71.6Confident71.2Confident80 Ų80120.6 Ų120.649%0.49157%0.574SS.*Hα-helixtrans-67.3-37178.352.30000112.7R378 E379 Q384 E385 L386R378-T382 PolarHBondContact O-N 2.95Å; R378-T382 PolarHBondContact O-OG1 3.19Å; E379-T382 WeakPolarHBondContact CA-OG1 3.34Å; E379-T382 PolarHBondContact O-OG1 3.03Å; E379-T382 VanDerWaalsContact O-OG1 3.05Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; T382-E385 PolarHBondContact O-N 2.98Å; T382-L386 PolarHBondContact O-N 3.04Å
383K69.1Low69.5Low139 Ų139123.6 Ų123.660%0.60459%0.591SS**Hα-helixtrans-63.7-37.8172.2-77.9176.7178.9173.10112.4E379 H380 A387E379-K383 WeakPolarHBondContact O-CB 3.4Å; E379-K383 WeakPolarHBondContact O-CG 3.45Å; E379-K383 PolarHBondContact O-N 3.05Å; H380-K383 PolarHBondContact O-N 3.48Å; K383-A387 WeakPolarHBondContact O-CB 3.4Å; K383-A387 PolarHBondContact O-N 3.44Å
384Q67.5Low68Low149 Ų149124.7 Ų124.770%0.69661%0.605SS**Hα-helixtrans-69.8-38.9177.7-171.1165.6-17.300111.9H380 A381 T382 A387 S388H380-Q384 WeakPolarHBondContact O-CB 3.4Å; H380-Q384 PolarHBondContact O-N 3.01Å; A381-Q384 PolarHBondContact O-N 2.97Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-A387 PolarHBondContact O-N 3.05Å; Q384-S388 PolarHBondContact O-N 2.7Å
385E67.1Low66.3Low137 Ų137123 Ų12364%0.6461%0.608SS**Hα-helixtrans-65.3-45.9173.7-68-13715000112.1A381 T382 A387 S388 M389A381-E385 WeakPolarHBondContact O-CG 3.39Å; A381-E385 PolarHBondContact O-N 3.23Å; T382-E385 PolarHBondContact O-N 2.98Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.13Å; E385-S388 PolarHBondContact O-N 3.39Å; E385-S388 VanDerWaalsContact O-N 3.13Å; E385-S388 PolarHBondContact O-OG 3.44Å; E385-M389 PolarHBondContact O-N 3.48Å
386L65.5Low65.1Low120 Ų120123.2 Ų123.263%0.62862%0.62SS**Hα-helixtrans-60.1-41.9175.8-105.2108.6000112.5T382 S388 M389 V390T382-L386 PolarHBondContact O-N 3.04Å; L386-S388 VanDerWaalsContact C-N 3.3Å; L386-S388 PolarHBondContact O-N 3.33Å; L386-M389 PolarHBondContact O-N 3.31Å; L386-V390 WeakPolarHBondContact O-CG2 3.35Å; L386-V390 PolarHBondContact O-N 3.02Å; L386-V390 VanDerWaalsContact O-N 3.11Å
387A63.1Low63.6Low63 Ų63130.4 Ų130.452%0.52166%0.66SS.*Hα-helixtrans-64.5-34.7176.500000112.5K383 Q384 E385 K391K383-A387 WeakPolarHBondContact O-CB 3.4Å; K383-A387 PolarHBondContact O-N 3.44Å; Q384-A387 PolarHBondContact O-N 3.05Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.13Å; A387-K391 PolarHBondContact O-N 3.47Å
388S61.7Low62.9Low62 Ų62128 Ų12843%0.43466%0.659SS.*Hα-helixtrans-71.4-38.6176.176.50000112.9Q384 E385 L386 K391 M392Q384-S388 PolarHBondContact O-N 2.7Å; E385-S388 PolarHBondContact O-N 3.39Å; E385-S388 VanDerWaalsContact O-N 3.13Å; E385-S388 PolarHBondContact O-OG 3.44Å; L386-S388 VanDerWaalsContact C-N 3.3Å; L386-S388 PolarHBondContact O-N 3.33Å; S388-K391 PolarHBondContact O-N 3.39Å; S388-M392 PolarHBondContact O-N 3.44Å
389M58.8Low62.2Low137 Ų137124.4 Ų124.468%0.67566%0.655SS**Hα-helixtrans-67.8-37.2177.1-80.6-18068.600112.8E385 L386 K391 M392E385-M389 PolarHBondContact O-N 3.48Å; L386-M389 PolarHBondContact O-N 3.31Å; M389-K391 VanDerWaalsContact C-N 3.29Å; M389-K391 PolarHBondContact O-N 3.38Å; M389-M392 PolarHBondContact O-N 3.11Å
390V59.3Low61.4Low101 Ų101125.6 Ų125.661%0.61266%0.664SS**Hα-helixtrans-66.1-34.41761730000111.1L386 K393L386-V390 WeakPolarHBondContact O-CG2 3.35Å; L386-V390 PolarHBondContact O-N 3.02Å; L386-V390 VanDerWaalsContact O-N 3.11Å; V390-K393 PolarHBondContact O-N 3.39Å
391K57.6Low60.8Low166 Ų166126.5 Ų126.572%0.72267%0.674SS**Hα-helixtrans-72.3-26.5179.9-152.9174.8-175.2179.80113.6A387 S388 M389 K393 S394A387-K391 PolarHBondContact O-N 3.47Å; S388-K391 PolarHBondContact O-N 3.39Å; M389-K391 VanDerWaalsContact C-N 3.29Å; M389-K391 PolarHBondContact O-N 3.38Å; K391-K393 VanDerWaalsContact C-N 3.34Å; K391-S394 PolarHBondContact O-OG 3.27Å
392M56.3Low60.2Low159 Ų159131.1 Ų131.178%0.78369%0.689SS**Hα-helixtrans-74.9-22172.4-77.9-169.5-167.200113.4S388 M389S388-M392 PolarHBondContact O-N 3.44Å; M389-M392 PolarHBondContact O-N 3.11Å
393K54.3Low59.5Low196 Ų196134.5 Ų134.585%0.85270%0.702SS**THydrogen-bonded Turntrans-88.5-8.6-177-126.5173.2-176.21770114V390 K391V390-K393 PolarHBondContact O-N 3.39Å; K391-K393 VanDerWaalsContact C-N 3.34Å
394S55.2Low58.8Low86 Ų86134.2 Ų134.260%0.60171%0.709SS**THydrogen-bonded Turntrans-105.317.7-176.265.80000114.3K391 P396K391-S394 PolarHBondContact O-OG 3.27Å; S394-P396 WeakPolarHBondContact O-CD 3.36Å
395L49.2Very low58.1Low140 Ų140133.1 Ų133.173%0.73371%0.71SS**  trans-87.8110170.6-80.4155.6000108.3
396P56Low57.3Low122 Ų122132.8 Ų132.879%0.79272%0.716SS**  trans-72141.9172.831.6-30.1000109S394S394-P396 WeakPolarHBondContact O-CD 3.36Å
397I51.2Low56.6Low241 Ų241133.9 Ų133.9100%1.23672%0.724SS**  trans-67.20175.6-64.6167.1000110

Retrieved 397 of 397 residues in 241 ms (Link to these results)