A0A060XXU8_ONCMY Loading...

NF-kappa-B inhibitor-interacting Ras-like protein 2

AlphaFold DB , UniProt , Accession A0A060XXU8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486255, Length 192 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
1M38.9Very low82.8Confident245 Ų24552.8 Ų52.8100%1.20729%0.291SS*.  0122.50-74.8167.675.900107.6
2G54Low84Confident77 Ų7750.6 Ų50.679%0.79428%0.278SS*.PPolyproline II helixtrans-61.8148.8-177.900000111.8S4G2-S4 PolarHBondContact O-N 3.22Å
3K65.1Low84.8Confident167 Ų16749.7 Ų49.773%0.72628%0.282SS*.PPolyproline II helixtrans-62.6116.4174.9-174-177.7178.2-171.10108.1C5K3-C5 PolarHBondContact O-N 2.97Å
4S76.8Confident85.5Confident22 Ų2251.9 Ų51.915%0.15431%0.309CS..PPolyproline II helixtrans-75.4123.2174.9174.50000109.8G2 R58G2-S4 PolarHBondContact O-N 3.22Å; S4-R58 PolarHBondContact OG-NH1 3.43Å
5C91.4Very high86.2Confident8 Ų848.5 Ų48.55%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-77.8127.1179.3-64.10000109.9K3 R58 M168K3-C5 PolarHBondContact O-N 2.97Å; C5-R58 PolarHBondContact O-N 2.97Å; C5-M168 HydrophobicContact CB-CE 3.76Å; C5-M168 HydrophobicContact CB-SD 4.12Å
6K95Very high86.8Confident62 Ų6246.6 Ų46.627%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-97.8114.1177-65.8173.8-86.7163.20109.6Y60 F78 D80 G81K6-Y60 HydrophobicContact CB-CD2 4.42Å; K6-Y60 HydrophobicContact CB-CE2 3.86Å; K6-Y60 HydrophobicContact CD-CE2 4.42Å; K6-Y60 HydrophobicContact CG-CE2 3.88Å; K6-F78 HydrophobicContact CB-CE1 4.19Å; K6-F78 HydrophobicContact CB-CZ 4.42Å; K6-F78 HydrophobicContact CD-CD2 4.34Å; K6-F78 HydrophobicContact CD-CE1 4.04Å; K6-F78 HydrophobicContact CD-CE2 3.61Å; K6-F78 HydrophobicContact CD-CZ 3.46Å; K6-F78 VanDerWaalsContact CD-CZ 3.46Å; K6-F78 HydrophobicContact CG-CZ 4.26Å; K6-F78 PolarHBondContact NZ-O 3.32Å; K6-D80 PolarHBondContact N-OD2 3.07Å; K6-D80 WeakPolarHBondContact O-CA 3.35Å; K6-D80 PolarHBondContact O-N 2.84Å; K6-G81 PolarHBondContact O-N 3.43Å
7V97.3Very high87.4Confident0 Ų044.2 Ų44.20%027%0.267CS..EExtended strand (participates in β ladder)trans-110.1127.1179.3172.90000109V9 V57 R58 F59 Y60 G81 V83 L164 M168V7-V9 HydrophobicContact CG1-CG2 4.49Å; V7-V57 HydrophobicContact CB-CG1 4.02Å; V7-V57 HydrophobicContact CG2-CG1 3.48Å; V7-V57 VanDerWaalsContact CG2-CG1 3.48Å; V7-R58 PolarHBondContact N-O 3.22Å; V7-F59 HydrophobicContact CB-CD1 3.76Å; V7-F59 HydrophobicContact CB-CE1 3.98Å; V7-F59 HydrophobicContact CG1-CD1 3.71Å; V7-F59 HydrophobicContact CG1-CE1 3.91Å; V7-F59 HydrophobicContact CG2-CE1 4.32Å; V7-F59 CarbonylContact O-C 3.5Å; V7-F59 WeakPolarHBondContact O-CA 3.48Å; V7-Y60 PolarHBondContact O-N 3.14Å; V7-G81 VanDerWaalsContact CA-O 3.31Å; V7-G81 WeakPolarHBondContact CA-O 3.36Å; V7-V83 HydrophobicContact CG1-CG2 3.77Å; V7-L164 HydrophobicContact CB-CD2 4.46Å; V7-L164 HydrophobicContact CG1-CD2 3.83Å; V7-L164 HydrophobicContact CG2-CD2 3.82Å; V7-L164 HydrophobicContact CG2-CG 4.47Å; V7-M168 HydrophobicContact CG2-CE 3.63Å; V7-M168 HydrophobicContact CG2-SD 3.68Å
8V98Very high87.9Confident0 Ų043.2 Ų43.20%026%0.261CS..EExtended strand (participates in β ladder)trans-97.6127.4174175.20000109.3C10 T62 F71 Y75 F78 A79 G81 F82 V83V8-C10 HydrophobicContact CG1-CB 4.47Å; V8-T62 HydrophobicContact CG1-CG2 3.85Å; V8-F71 HydrophobicContact CG1-CE1 4.46Å; V8-F71 HydrophobicContact CG1-CZ 3.75Å; V8-Y75 HydrophobicContact CG1-CD1 4.03Å; V8-Y75 HydrophobicContact CG1-CG 4.12Å; V8-Y75 HydrophobicContact CG2-CD1 3.66Å; V8-Y75 HydrophobicContact CG2-CE1 4.36Å; V8-Y75 HydrophobicContact CG2-CG 4.3Å; V8-F78 HydrophobicContact CG2-CD1 4.19Å; V8-A79 HydrophobicContact CB-CB 4.2Å; V8-A79 HydrophobicContact CG2-CB 3.64Å; V8-G81 PolarHBondContact N-O 2.92Å; V8-F82 HydrophobicContact CB-CD1 3.79Å; V8-F82 HydrophobicContact CB-CE1 3.76Å; V8-F82 HydrophobicContact CG1-CD1 4.13Å; V8-F82 HydrophobicContact CG1-CE1 4.01Å; V8-F82 HydrophobicContact CG2-CE1 4.37Å; V8-F82 WeakPolarHBondContact O-CA 3.44Å; V8-V83 PolarHBondContact O-N 3.45Å
9V98.4Very high88.3Confident0 Ų041.6 Ų41.60%025%0.253CS..EExtended strand (participates in β ladder)trans-102.7117.3177.2-171.30000108.3V7 K17 L21 F59 Y60 T62 V83 V85V7-V9 HydrophobicContact CG1-CG2 4.49Å; V9-K17 HydrophobicContact CG1-CB 3.93Å; V9-K17 HydrophobicContact CG1-CD 4.38Å; V9-K17 HydrophobicContact CG1-CG 4.1Å; V9-L21 HydrophobicContact CB-CD1 4.46Å; V9-L21 HydrophobicContact CG2-CD1 4Å; V9-L21 HydrophobicContact CG2-CD2 4.1Å; V9-L21 HydrophobicContact CG2-CG 4.35Å; V9-F59 HydrophobicContact CG2-CB 4.37Å; V9-F59 HydrophobicContact CG2-CD1 4.17Å; V9-Y60 PolarHBondContact N-O 3.23Å; V9-T62 PolarHBondContact O-N 3.02Å; V9-T62 PolarHBondContact O-OG1 3.42Å; V9-V83 WeakPolarHBondContact CA-O 3.3Å; V9-V83 HydrophobicContact CG1-CB 4.33Å; V9-V83 HydrophobicContact CG1-CG1 4.37Å; V9-V83 HydrophobicContact CG2-CB 4.24Å; V9-V85 HydrophobicContact CG1-CG2 3.9Å
10C97.8Very high88.7Confident0 Ų039.6 Ų39.60%024%0.241CC..EExtended strand (participates in β ladder)trans-143.5158.7-172.962.20000112.9V8 F71 V83 L84 V85V8-C10 HydrophobicContact CG1-CB 4.47Å; C10-F71 HydrophobicContact CB-CD2 4.34Å; C10-F71 HydrophobicContact CB-CE2 3.52Å; C10-F71 HydrophobicContact CB-CZ 3.65Å; C10-V83 PolarHBondContact N-O 3.08Å; C10-L84 WeakPolarHBondContact O-CA 3.37Å; C10-L84 WeakPolarHBondContact SG-CD2 3.18Å; C10-V85 PolarHBondContact O-N 2.94Å
11G97.6Very high89.1Confident0 Ų037.7 Ų37.70%023%0.229CC..EExtended strand (participates in β ladder)trans158.4173.8-169.300000111L65 V85G11-L65 PolarHBondContact O-N 3.46Å; G11-L65 VanDerWaalsContact O-N 3.1Å; G11-V85 WeakPolarHBondContact CA-O 3.44Å
12L97.1Very high91.7Very high26 Ų2628.5 Ų28.514%0.13618%0.184CC..BIsolated β-bridgetrans-59.5162.1178.1-160.172.3000111.2V15 K17 L65 R96L12-V15 HydrophobicContact CB-CG1 3.85Å; L12-V15 VanDerWaalsContact O-CG2 3.24Å; L12-V15 WeakPolarHBondContact O-CG2 2.98Å; L12-K17 PolarHBondContact O-NZ 2.79Å; L12-K17 VanDerWaalsContact O-NZ 3.16Å; L12-L65 CarbonylContact C-O 3.55Å; L12-L65 WeakPolarHBondContact CD1-O 3.47Å; L12-R96 HydrophobicContact CD1-CB 4.28Å; L12-R96 HydrophobicContact CD1-CG 4.05Å
13A95.1Very high93.7Very high39 Ų3925.9 Ų25.932%0.32215%0.15SC..THydrogen-bonded Turntrans-56.9149.2167.800000111.7V15 L65A13-V15 PolarHBondContact O-N 3.32Å; A13-V15 VanDerWaalsContact O-N 3.08Å; A13-L65 PolarHBondContact N-O 3.4Å
14A94.2Very high95.1Very high80 Ų8018.6 Ų18.666%0.66112%0.12SC*.THydrogen-bonded Turntrans61.79.2177.100000117.7G16A14-G16 PolarHBondContact O-N 3.06Å
15V96.5Very high95.9Very high1 Ų119.4 Ų19.41%0.00612%0.122CC..SBendtrans-74.4-11.3174.7-56.70000113.9L12 A13 K17 V85 N120L12-V15 HydrophobicContact CB-CG1 3.85Å; L12-V15 VanDerWaalsContact O-CG2 3.24Å; L12-V15 WeakPolarHBondContact O-CG2 2.98Å; A13-V15 PolarHBondContact O-N 3.32Å; A13-V15 VanDerWaalsContact O-N 3.08Å; V15-K17 HydrophobicContact CG2-CD 4.44Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; V15-V85 HydrophobicContact CB-CG1 4.18Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.74Å; V15-N120 PolarHBondContact O-ND2 2.91Å
16G95.6Very high95.8Very high18 Ų1824.9 Ų24.919%0.18614%0.142CC..  trans93.931.7176.800000116.2A14 A19 V20A14-G16 PolarHBondContact O-N 3.06Å; G16-A19 PolarHBondContact O-N 3.14Å; G16-V20 WeakPolarHBondContact O-CB 3.48Å; G16-V20 VanDerWaalsContact O-CG2 3.26Å; G16-V20 WeakPolarHBondContact O-CG2 3.47Å; G16-V20 PolarHBondContact O-N 3.39Å
17K97.1Very high95.5Very high7 Ų724.6 Ų24.63%0.0315%0.151CC..Hα-helixtrans-56.3-55.6177.5-62.3-176.9-59-59.30112.8V9 L12 V15 V20 L21 D61 T62 G64 V85V9-K17 HydrophobicContact CG1-CB 3.93Å; V9-K17 HydrophobicContact CG1-CD 4.38Å; V9-K17 HydrophobicContact CG1-CG 4.1Å; L12-K17 PolarHBondContact O-NZ 2.79Å; L12-K17 VanDerWaalsContact O-NZ 3.16Å; V15-K17 HydrophobicContact CG2-CD 4.44Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; K17-V20 PolarHBondContact O-N 3.24Å; K17-L21 PolarHBondContact O-N 3.46Å; K17-D61 WeakPolarHBondContact CB-OD1 3.29Å; K17-T62 WeakPolarHBondContact CE-O 3.32Å; K17-G64 VanDerWaalsContact NZ-CA 3.27Å; K17-V85 HydrophobicContact CG-CB 4.06Å; K17-V85 HydrophobicContact CG-CG2 4.08Å
18T95.8Very high94.7Very high25 Ų2528.8 Ų28.815%0.15317%0.174CC..Hα-helixtrans-60.8-47.6177.5-46.30000111.2V20 L21 E22 T38 Y43 D61T18-V20 VanDerWaalsContact C-N 3.31Å; T18-V20 PolarHBondContact O-N 2.95Å; T18-L21 PolarHBondContact O-N 3.46Å; T18-E22 HydrophobicContact CG2-CG 4.26Å; T18-E22 WeakPolarHBondContact O-CG 3.2Å; T18-E22 PolarHBondContact O-N 3.47Å; T18-T38 PolarHBondContact OG1-OG1 2.91Å; T18-Y43 WeakPolarHBondContact CG2-OH 3.43Å; T18-D61 WeakPolarHBondContact CA-OD2 3.38Å; T18-D61 VanDerWaalsContact CB-OD2 3.25Å; T18-D61 WeakPolarHBondContact CB-OD2 3.37Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.4Å; T18-D61 PolarHBondContact OG1-OD2 3.35Å
19A95.3Very high93.7Very high14 Ų1430.8 Ų30.812%0.11618%0.183CC..Hα-helixtrans-58.1-40.4178.700000112.9G16 Q23 H29 V151G16-A19 PolarHBondContact O-N 3.14Å; A19-Q23 WeakPolarHBondContact O-CB 3.41Å; A19-Q23 PolarHBondContact O-N 3.02Å; A19-H29 VanDerWaalsContact CB-CE1 3.41Å; A19-H29 WeakPolarHBondContact CB-CE1 3.24Å; A19-V151 HydrophobicContact CB-CG1 4.17Å; A19-V151 HydrophobicContact CB-CG2 4.06Å
20V96.9Very high92.5Very high0 Ų036.8 Ų36.80%021%0.214CC..Hα-helixtrans-60.7-46173.4160.80000111.1G16 K17 T18 L24 L118 V151 L157 F161G16-V20 WeakPolarHBondContact O-CB 3.48Å; G16-V20 VanDerWaalsContact O-CG2 3.26Å; G16-V20 WeakPolarHBondContact O-CG2 3.47Å; G16-V20 PolarHBondContact O-N 3.39Å; K17-V20 PolarHBondContact O-N 3.24Å; T18-V20 VanDerWaalsContact C-N 3.31Å; T18-V20 PolarHBondContact O-N 2.95Å; V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 PolarHBondContact O-N 3.06Å; V20-L118 HydrophobicContact CG1-CD1 3.96Å; V20-V151 HydrophobicContact CG2-CG2 3.73Å; V20-L157 HydrophobicContact CG1-CD2 4.16Å; V20-L157 HydrophobicContact CG2-CD2 4.14Å; V20-F161 HydrophobicContact CG1-CE2 3.79Å; V20-F161 HydrophobicContact CG1-CZ 3.65Å
21L96.4Very high91.1Very high0 Ų040 Ų400%024%0.24CC..Hα-helixtrans-67.5-48.8-179.4-70.5177.3000112.3V9 K17 T18 Q23 L24 L25 Y43 F59 D61 F161V9-L21 HydrophobicContact CB-CD1 4.46Å; V9-L21 HydrophobicContact CG2-CD1 4Å; V9-L21 HydrophobicContact CG2-CD2 4.1Å; V9-L21 HydrophobicContact CG2-CG 4.35Å; K17-L21 PolarHBondContact O-N 3.46Å; T18-L21 PolarHBondContact O-N 3.46Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 3.38Å; L21-L25 WeakPolarHBondContact O-CB 3.45Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.19Å; L21-Y43 HydrophobicContact CB-CD2 4.41Å; L21-Y43 HydrophobicContact CB-CG 4.42Å; L21-Y43 HydrophobicContact CD1-CD2 3.75Å; L21-Y43 HydrophobicContact CD1-CE2 4.2Å; L21-Y43 HydrophobicContact CD1-CG 4.35Å; L21-F59 HydrophobicContact CD1-CB 3.99Å; L21-F59 HydrophobicContact CD2-CB 3.77Å; L21-F59 HydrophobicContact CD2-CD1 3.83Å; L21-F59 HydrophobicContact CD2-CD2 4.15Å; L21-F59 HydrophobicContact CD2-CE1 4.5Å; L21-F59 HydrophobicContact CD2-CG 3.63Å; L21-D61 HydrophobicContact CD1-CB 3.73Å; L21-F161 HydrophobicContact CD2-CE1 4.17Å; L21-F161 HydrophobicContact CD2-CZ 4.43Å
22E94.4Very high89.6Confident53 Ų5344 Ų4425%0.24828%0.282CS..Hα-helixtrans-59.4-45.4178.9-71.9-179.315800111.3T18 L25 Y26 A27 N28 H29 Y43T18-E22 HydrophobicContact CG2-CG 4.26Å; T18-E22 WeakPolarHBondContact O-CG 3.2Å; T18-E22 PolarHBondContact O-N 3.47Å; E22-L25 PolarHBondContact O-N 3.45Å; E22-Y26 WeakPolarHBondContact O-CA 3.29Å; E22-Y26 WeakPolarHBondContact O-CB 3.1Å; E22-Y26 PolarHBondContact O-N 2.94Å; E22-A27 PolarHBondContact O-N 3.17Å; E22-N28 PolarHBondContact O-OD1 3.18Å; E22-H29 IonicContact OE2-ND1 2.85Å; E22-Y43 HydrophobicContact CG-CE1 3.97Å; E22-Y43 PolarHBondContact OE1-OH 3.05Å
23Q95Very high88.4Confident21 Ų2145.5 Ų45.510%0.09829%0.294CS..Hα-helixtrans-67.9-40.8179.3-173.368-23.300112.9A19 L21 A27 H29 V151 R154 L157A19-Q23 WeakPolarHBondContact O-CB 3.41Å; A19-Q23 PolarHBondContact O-N 3.02Å; L21-Q23 VanDerWaalsContact C-N 3.33Å; L21-Q23 PolarHBondContact O-N 3.34Å; Q23-A27 WeakPolarHBondContact O-CA 3.49Å; Q23-A27 PolarHBondContact O-N 3.49Å; Q23-H29 HydrophobicContact CB-CB 3.81Å; Q23-H29 HydrophobicContact CG-CB 4.44Å; Q23-V151 HydrophobicContact CB-CG1 3.61Å; Q23-V151 HydrophobicContact CG-CG1 3.8Å; Q23-V151 WeakPolarHBondContact CG-O 3.47Å; Q23-V151 PolarHBondContact NE2-O 3.2Å; Q23-R154 HydrophobicContact CG-CB 4.06Å; Q23-R154 HydrophobicContact CG-CG 4.21Å; Q23-R154 VanDerWaalsContact O-CD 3.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.27Å; Q23-R154 PolarHBondContact O-NE 2.89Å; Q23-L157 HydrophobicContact CB-CD1 3.88Å; Q23-L157 HydrophobicContact CG-CD1 3.78Å
24L95.1Very high87.5Confident15 Ų1552 Ų528%0.07932%0.318CS..Hα-helixtrans-60.2-50.1176177.469.5000110.8V20 L21 R154 L157 I158 F161V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 PolarHBondContact O-N 3.06Å; L21-L24 PolarHBondContact O-N 3.38Å; L24-R154 PolarHBondContact O-NE 3.27Å; L24-R154 PolarHBondContact O-NH2 2.87Å; L24-L157 HydrophobicContact CD1-CB 4.09Å; L24-I158 HydrophobicContact CD1-CD1 3.93Å; L24-F161 HydrophobicContact CD1-CB 4.44Å; L24-F161 HydrophobicContact CD1-CD2 4.32Å; L24-F161 HydrophobicContact CD1-CG 4.41Å; L24-F161 HydrophobicContact CD2-CB 3.91Å; L24-F161 HydrophobicContact CD2-CD1 3.33Å; L24-F161 HydrophobicContact CD2-CD2 3.68Å; L24-F161 HydrophobicContact CD2-CE1 3.6Å; L24-F161 HydrophobicContact CD2-CE2 3.9Å; L24-F161 HydrophobicContact CD2-CG 3.35Å; L24-F161 HydrophobicContact CD2-CZ 3.86Å
25L93.3Very high86.5Confident39 Ų3954 Ų5420%0.20432%0.324CS..Hα-helixtrans-84.2-39.2-167.8-63.2177.6000113.6L21 E22 Y43 G45 F59L21-L25 WeakPolarHBondContact O-CB 3.45Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.19Å; E22-L25 PolarHBondContact O-N 3.45Å; L25-Y43 HydrophobicContact CD1-CD1 4.13Å; L25-Y43 HydrophobicContact CD1-CG 4.21Å; L25-G45 VanDerWaalsContact CD2-CA 3.47Å; L25-F59 HydrophobicContact CD1-CD2 4.47Å; L25-F59 HydrophobicContact CD2-CE2 4.47Å
26Y91Very high85.9Confident123 Ų12362.1 Ų62.148%0.48236%0.364SS..Hα-helixtrans-119.2-10.1-169.5-50.4-53.7000113.6E22 N28 Y43E22-Y26 WeakPolarHBondContact O-CA 3.29Å; E22-Y26 WeakPolarHBondContact O-CB 3.1Å; E22-Y26 PolarHBondContact O-N 2.94Å; Y26-N28 VanDerWaalsContact CB-CG 3.46Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.39Å; Y26-N28 PolarHBondContact O-N 2.89Å; Y26-Y43 AromaticContact CE2-CD1 3.76Å; Y26-Y43 HydrophobicContact CE2-CD1 3.76Å; Y26-Y43 AromaticContact CE2-CE1 3.94Å; Y26-Y43 HydrophobicContact CE2-CE1 3.94Å
27A88.4Confident85.6Confident55 Ų5568.2 Ų68.246%0.45539%0.388SS..SBendtrans51.734.6-174.900000112.9E22 Q23E22-A27 PolarHBondContact O-N 3.17Å; Q23-A27 WeakPolarHBondContact O-CA 3.49Å; Q23-A27 PolarHBondContact O-N 3.49Å
28N79.9Confident85.2Confident89 Ų8969.3 Ų69.348%0.47640%0.395SS..  trans-116.42.2-170.970-15.8000113.3E22 Y26 I30E22-N28 PolarHBondContact O-OD1 3.18Å; Y26-N28 VanDerWaalsContact CB-CG 3.46Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.39Å; Y26-N28 PolarHBondContact O-N 2.89Å; N28-I30 PolarHBondContact O-N 3.18Å
29H76.4Confident84.8Confident42 Ų4274.4 Ų74.419%0.19442%0.421CS..  trans-77.3124.6179.4-171.979.6000109.9A19 E22 Q23 V151A19-H29 VanDerWaalsContact CB-CE1 3.41Å; A19-H29 WeakPolarHBondContact CB-CE1 3.24Å; E22-H29 IonicContact OE2-ND1 2.85Å; Q23-H29 HydrophobicContact CB-CB 3.81Å; Q23-H29 HydrophobicContact CG-CB 4.44Å; H29-V151 HydrophobicContact CB-CG1 3.91Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.23Å
30I73.7Confident84.6Confident126 Ų12679.7 Ų79.765%0.64644%0.443SS*.  trans-94.2112.2176.6-57.4174.8000107.6N28 G32 S33N28-I30 PolarHBondContact O-N 3.18Å; I30-G32 PolarHBondContact O-N 2.88Å; I30-S33 VanDerWaalsContact O-CB 3.29Å; I30-S33 WeakPolarHBondContact O-CB 3.18Å; I30-S33 PolarHBondContact O-N 2.62Å; I30-S33 PolarHBondContact O-OG 3.27Å
31A67.6Low84.5Confident67 Ų6783.8 Ų83.855%0.55447%0.465SS*.THydrogen-bonded Turntrans-57129.9174.200000110.3A152A31-A152 HydrophobicContact CB-CB 4.27Å
32G66.3Low84.5Confident85 Ų8587.8 Ų87.888%0.87649%0.485SS*.THydrogen-bonded Turntrans85.54.2-175.900000114.9I30I30-G32 PolarHBondContact O-N 2.88Å
33S72.6Confident84.6Confident56 Ų5686.2 Ų86.239%0.39248%0.477SS..PPolyproline II helixtrans-60.5150.7166.651.60000111.7I30I30-S33 VanDerWaalsContact O-CB 3.29Å; I30-S33 WeakPolarHBondContact O-CB 3.18Å; I30-S33 PolarHBondContact O-N 2.62Å; I30-S33 PolarHBondContact O-OG 3.27Å
34E75.2Confident84.6Confident176 Ų17689 Ų8982%0.82249%0.492SS*.PPolyproline II helixtrans-61.4129.2178.1-70.6-149.9155.200110.8M36E34-M36 PolarHBondContact O-N 2.66Å
35P75.1Confident84.4Confident122 Ų12288.5 Ų88.579%0.79249%0.49SS*.PPolyproline II helixtrans-66.1121.3178.6-16.428.9000110.6
36M82.8Confident84.4Confident172 Ų17290.7 Ų90.785%0.84751%0.509SS*.PPolyproline II helixtrans-92.6138.4167.6-66.9-170.5-73.600110.2E34 T38E34-M36 PolarHBondContact O-N 2.66Å; M36-T38 PolarHBondContact O-N 3.36Å
37E88.5Confident84.5Confident146 Ų14685.6 Ų85.668%0.68249%0.49SS*.PPolyproline II helixtrans-72.2118173.7-71.5-160.8148.500110.4R66E37-R66 IonicContact OE1-CZ 2.74Å; E37-R66 IonicContact OE1-NH2 3.57Å; E37-R66 PolarHBondContact OE1-NH2 2.97Å; E37-R66 IonicContact OE2-NH2 3.77Å; E37-R66 PolarHBondContact OE2-NH2 3.24Å
38T89.9Confident84.7Confident29 Ų2987.8 Ų87.818%0.17849%0.491CS..PPolyproline II helixtrans-71.4131172.4-37.90000110.3T18 M36 D61 R63T18-T38 PolarHBondContact OG1-OG1 2.91Å; M36-T38 PolarHBondContact O-N 3.36Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.44Å; T38-R63 WeakPolarHBondContact O-CA 3.4Å; T38-R63 VanDerWaalsContact O-CG 3.26Å; T38-R63 WeakPolarHBondContact O-CG 3.36Å
39L87.7Confident85.1Confident133 Ų13383.9 Ų83.970%0.69647%0.47SS*.  trans-83.6-75.4164.5-66.3178.8000109.5R63L39-R63 WeakPolarHBondContact O-CA 3.36Å; L39-R63 VanDerWaalsContact O-CB 3.22Å; L39-R63 WeakPolarHBondContact O-CB 3.32Å; L39-R63 PolarHBondContact O-N 3.39Å
40E89.8Confident85.6Confident124 Ų12487.6 Ų87.658%0.57949%0.491SS*.EExtended strand (participates in β ladder)trans-162.7139.3172.7-100.5166.2-138.200107D61 Y75E40-D61 WeakPolarHBondContact CA-O 3.06Å; E40-Y75 PolarHBondContact OE1-OH 3.42Å; E40-Y75 PolarHBondContact OE2-OH 3.39Å
41D94.9Very high86.2Confident86 Ų8686.6 Ų86.646%0.4648%0.479SS..EExtended strand (participates in β ladder)trans-148.1163.4176.7-154.1-8.7000111.6Y43 D61D41-Y43 HydrophobicContact CB-CE2 3.94Å; D41-D61 PolarHBondContact N-O 2.95Å; D41-D61 PolarHBondContact O-N 3.31Å
42I96.5Very high87Confident84 Ų8485.9 Ų85.943%0.43148%0.479SS..EExtended strand (participates in β ladder)trans-123114.7178.9-56.7174.6000109.9F59 Y60I42-F59 CarbonylContact C-O 3.43Å; I42-F59 WeakPolarHBondContact CA-O 3.35Å; I42-Y60 HydrophobicContact CD1-CD1 4.1Å; I42-Y60 HydrophobicContact CD1-CE1 3.54Å; I42-Y60 HydrophobicContact CG1-CD1 3.91Å; I42-Y60 HydrophobicContact CG1-CE1 3.84Å
43Y96.1Very high88.1Confident20 Ų2085 Ų858%0.07846%0.456CS..EExtended strand (participates in β ladder)trans-100.9142.1173.5-62.3-99.6000110.7T18 L21 E22 L25 Y26 D41 R58 F59 D61T18-Y43 WeakPolarHBondContact CG2-OH 3.43Å; L21-Y43 HydrophobicContact CB-CD2 4.41Å; L21-Y43 HydrophobicContact CB-CG 4.42Å; L21-Y43 HydrophobicContact CD1-CD2 3.75Å; L21-Y43 HydrophobicContact CD1-CE2 4.2Å; L21-Y43 HydrophobicContact CD1-CG 4.35Å; E22-Y43 HydrophobicContact CG-CE1 3.97Å; E22-Y43 PolarHBondContact OE1-OH 3.05Å; L25-Y43 HydrophobicContact CD1-CD1 4.13Å; L25-Y43 HydrophobicContact CD1-CG 4.21Å; Y26-Y43 AromaticContact CE2-CD1 3.76Å; Y26-Y43 HydrophobicContact CE2-CD1 3.76Å; Y26-Y43 AromaticContact CE2-CE1 3.94Å; Y26-Y43 HydrophobicContact CE2-CE1 3.94Å; D41-Y43 HydrophobicContact CB-CE2 3.94Å; Y43-R58 CarbonylContact O-C 3.58Å; Y43-F59 PolarHBondContact N-O 3.21Å; Y43-F59 PolarHBondContact O-N 3.15Å; Y43-D61 HydrophobicContact CD2-CB 4.02Å; Y43-D61 HydrophobicContact CE2-CB 3.8Å
44I95.4Very high88.9Confident81 Ų8190.7 Ų90.742%0.41547%0.469SS..EExtended strand (participates in β ladder)trans-116.2116.6177.4-52.9-173.8000109.2Q56 R58I44-Q56 HydrophobicContact CG2-CG 3.65Å; I44-R58 HydrophobicContact CG1-CG 4.25Å
45G92.4Very high89.7Confident3 Ų384.1 Ų84.13%0.03144%0.439CS..EExtended strand (participates in β ladder)trans-110.5145.7176.200000112.4L25 Q56 V57L25-G45 VanDerWaalsContact CD2-CA 3.47Å; G45-Q56 WeakPolarHBondContact O-CA 3.48Å; G45-V57 PolarHBondContact N-O 3.46Å; G45-V57 PolarHBondContact O-N 3.08Å
46S92.8Very high90.6Very high85 Ų8583 Ų8359%0.59442%0.423SS*.EExtended strand (participates in β ladder)trans-105.8107.4165.9-1730000107.9
47I92.8Very high91.2Very high17 Ų1774.9 Ų74.99%0.08738%0.383CS..EExtended strand (participates in β ladder)trans-105.2123.9-175.7-63.9172.1000108.8T49 R54 E55 V57 F59 F161 V162 A165I47-T49 PolarHBondContact O-N 3.31Å; I47-R54 WeakPolarHBondContact O-CA 3.49Å; I47-E55 PolarHBondContact N-O 3.14Å; I47-E55 PolarHBondContact O-N 3.32Å; I47-V57 HydrophobicContact CD1-CB 4.45Å; I47-V57 HydrophobicContact CD1-CG2 4.1Å; I47-F59 HydrophobicContact CD1-CE2 4.26Å; I47-F59 HydrophobicContact CD1-CZ 3.71Å; I47-F161 HydrophobicContact CD1-CB 4.02Å; I47-F161 HydrophobicContact CD1-CD1 4.48Å; I47-V162 HydrophobicContact CG2-CG2 4.12Å; I47-A165 HydrophobicContact CB-CB 4.06Å; I47-A165 HydrophobicContact CD1-CB 4.44Å; I47-A165 HydrophobicContact CG2-CB 3.74Å
48E91.6Very high91.6Very high101 Ų10172 Ų7247%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-79.7118.4171-162.9163.8143.800109.5R54E48-R54 HydrophobicContact CB-CG 4.17Å; E48-R54 HydrophobicContact CG-CG 4.16Å; E48-R54 IonicContact OE2-CZ 2.78Å; E48-R54 IonicContact OE2-NE 3.55Å; E48-R54 PolarHBondContact OE2-NE 2.91Å; E48-R54 VanDerWaalsContact OE2-NE 3.09Å; E48-R54 IonicContact OE2-NH2 3.49Å; E48-R54 PolarHBondContact OE2-NH2 3.15Å
49T89.9Confident92Very high6 Ų670.7 Ų70.74%0.03736%0.357CS..  trans-74.9161.917758.90000110.9I47 R51 G52 T53 E55 A165 S166I47-T49 PolarHBondContact O-N 3.31Å; T49-R51 PolarHBondContact O-N 3.28Å; T49-G52 PolarHBondContact O-N 3Å; T49-T53 WeakPolarHBondContact CB-O 3.46Å; T49-T53 PolarHBondContact N-O 2.98Å; T49-T53 PolarHBondContact OG1-N 3.06Å; T49-T53 PolarHBondContact OG1-O 3.43Å; T49-E55 HydrophobicContact CG2-CG 3.7Å; T49-A165 HydrophobicContact CG2-CB 4.11Å; T49-S166 VanDerWaalsContact CB-OG 3.24Å; T49-S166 WeakPolarHBondContact CB-OG 3.46Å
50D86.1Confident92.4Very high121 Ų12166.3 Ų66.365%0.64733%0.332SS*.THydrogen-bonded Turntrans-52.4-21.1169.660.8-21.7000114.5G52 S166D50-G52 VanDerWaalsContact C-N 3.33Å; D50-S166 WeakPolarHBondContact OD1-CB 3.13Å; D50-S166 PolarHBondContact OD1-OG 3.43Å
51R86.7Confident92.7Very high104 Ų10460.4 Ų60.439%0.39231%0.305SS..THydrogen-bonded Turntrans-86.63.9176.2-63.7170.9-68.5167.93.9113.8T49 T53 S166 T169T49-R51 PolarHBondContact O-N 3.28Å; R51-T53 PolarHBondContact O-N 2.99Å; R51-S166 PolarHBondContact NH2-O 2.99Å; R51-T169 PolarHBondContact NH1-O 2.95Å; R51-T169 PolarHBondContact NH2-O 3.36Å; R51-T169 PolarHBondContact NH2-OG1 3.05Å
52G85.1Confident92.8Very high53 Ų5356.5 Ų56.555%0.54628%0.284SS..SBendtrans7211.3-17500000114.2T49 D50T49-G52 PolarHBondContact O-N 3Å; D50-G52 VanDerWaalsContact C-N 3.33Å
53T88.4Confident92.6Very high66 Ų6658.2 Ų58.241%0.40529%0.285SS..  trans-93.5133.7176.1-560000109.8T49 R51T49-T53 WeakPolarHBondContact CB-O 3.46Å; T49-T53 PolarHBondContact N-O 2.98Å; T49-T53 PolarHBondContact OG1-N 3.06Å; T49-T53 PolarHBondContact OG1-O 3.43Å; R51-T53 PolarHBondContact O-N 2.99Å
54R90.3Very high92.3Very high175 Ų17557.7 Ų57.766%0.6629%0.286SS*.EExtended strand (participates in β ladder)trans-90.8122.6174.4-71.7-174.5175.7-175.7-1.9111.3I47 E48I47-R54 WeakPolarHBondContact O-CA 3.49Å; E48-R54 HydrophobicContact CB-CG 4.17Å; E48-R54 HydrophobicContact CG-CG 4.16Å; E48-R54 IonicContact OE2-CZ 2.78Å; E48-R54 IonicContact OE2-NE 3.55Å; E48-R54 PolarHBondContact OE2-NE 2.91Å; E48-R54 VanDerWaalsContact OE2-NE 3.09Å; E48-R54 IonicContact OE2-NH2 3.49Å; E48-R54 PolarHBondContact OE2-NH2 3.15Å
55E91.1Very high92Very high38 Ų3854.5 Ų54.518%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-111131.1-179.3-60.7-67.4-17700110.3I47 T49 T169I47-E55 PolarHBondContact N-O 3.14Å; I47-E55 PolarHBondContact O-N 3.32Å; T49-E55 HydrophobicContact CG2-CG 3.7Å; E55-T169 HydrophobicContact CB-CG2 4.4Å; E55-T169 VanDerWaalsContact CD-CG2 3.44Å; E55-T169 HydrophobicContact CG-CG2 3.81Å; E55-T169 WeakPolarHBondContact OE1-CB 3.3Å; E55-T169 PolarHBondContact OE1-OG1 3.34Å
56Q93.3Very high91.8Very high99 Ų9960 Ų6046%0.46329%0.289SS..EExtended strand (participates in β ladder)trans-85.7117.3173.4-172.3179.774.900109.9I44 G45I44-Q56 HydrophobicContact CG2-CG 3.65Å; G45-Q56 WeakPolarHBondContact O-CA 3.48Å
57V95.5Very high91.3Very high1 Ų162 Ų621%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-112.7131179.6-173.60000109.3V7 G45 I47 F59 A165 M168V7-V57 HydrophobicContact CB-CG1 4.02Å; V7-V57 HydrophobicContact CG2-CG1 3.48Å; V7-V57 VanDerWaalsContact CG2-CG1 3.48Å; G45-V57 PolarHBondContact N-O 3.46Å; G45-V57 PolarHBondContact O-N 3.08Å; I47-V57 HydrophobicContact CD1-CB 4.45Å; I47-V57 HydrophobicContact CD1-CG2 4.1Å; V57-F59 HydrophobicContact CB-CE1 4.47Å; V57-F59 HydrophobicContact CB-CE2 3.79Å; V57-F59 HydrophobicContact CB-CZ 3.75Å; V57-F59 HydrophobicContact CG1-CD1 4.17Å; V57-F59 HydrophobicContact CG1-CD2 4.27Å; V57-F59 HydrophobicContact CG1-CE1 3.63Å; V57-F59 HydrophobicContact CG1-CE2 3.75Å; V57-F59 HydrophobicContact CG1-CG 4.45Å; V57-F59 HydrophobicContact CG1-CZ 3.39Å; V57-A165 HydrophobicContact CG2-CB 4.44Å; V57-M168 HydrophobicContact CG1-CE 4.37Å; V57-M168 HydrophobicContact CG2-CE 4.34Å
58R97Very high90.5Very high87 Ų8764.7 Ų64.733%0.32832%0.324SS..EExtended strand (participates in β ladder)trans-98.6114171.3-71.2-176.3171.1106.1-1.1108.6S4 C5 V7 Y43 I44 Y60S4-R58 PolarHBondContact OG-NH1 3.43Å; C5-R58 PolarHBondContact O-N 2.97Å; V7-R58 PolarHBondContact N-O 3.22Å; Y43-R58 CarbonylContact O-C 3.58Å; I44-R58 HydrophobicContact CG1-CG 4.25Å; R58-Y60 HydrophobicContact CB-CE2 3.91Å
59F97.9Very high90.2Very high0 Ų063.4 Ų63.40%032%0.321CS..EExtended strand (participates in β ladder)trans-94.3121.5176.3-60.2-80000109.5V7 V9 L21 L25 I42 Y43 I47 V57 F161 L164V7-F59 HydrophobicContact CB-CD1 3.76Å; V7-F59 HydrophobicContact CB-CE1 3.98Å; V7-F59 HydrophobicContact CG1-CD1 3.71Å; V7-F59 HydrophobicContact CG1-CE1 3.91Å; V7-F59 HydrophobicContact CG2-CE1 4.32Å; V7-F59 CarbonylContact O-C 3.5Å; V7-F59 WeakPolarHBondContact O-CA 3.48Å; V9-F59 HydrophobicContact CG2-CB 4.37Å; V9-F59 HydrophobicContact CG2-CD1 4.17Å; L21-F59 HydrophobicContact CD1-CB 3.99Å; L21-F59 HydrophobicContact CD2-CB 3.77Å; L21-F59 HydrophobicContact CD2-CD1 3.83Å; L21-F59 HydrophobicContact CD2-CD2 4.15Å; L21-F59 HydrophobicContact CD2-CE1 4.5Å; L21-F59 HydrophobicContact CD2-CG 3.63Å; L25-F59 HydrophobicContact CD1-CD2 4.47Å; L25-F59 HydrophobicContact CD2-CE2 4.47Å; I42-F59 CarbonylContact C-O 3.43Å; I42-F59 WeakPolarHBondContact CA-O 3.35Å; Y43-F59 PolarHBondContact N-O 3.21Å; Y43-F59 PolarHBondContact O-N 3.15Å; I47-F59 HydrophobicContact CD1-CE2 4.26Å; I47-F59 HydrophobicContact CD1-CZ 3.71Å; V57-F59 HydrophobicContact CB-CE1 4.47Å; V57-F59 HydrophobicContact CB-CE2 3.79Å; V57-F59 HydrophobicContact CB-CZ 3.75Å; V57-F59 HydrophobicContact CG1-CD1 4.17Å; V57-F59 HydrophobicContact CG1-CD2 4.27Å; V57-F59 HydrophobicContact CG1-CE1 3.63Å; V57-F59 HydrophobicContact CG1-CE2 3.75Å; V57-F59 HydrophobicContact CG1-CG 4.45Å; V57-F59 HydrophobicContact CG1-CZ 3.39Å; F59-F161 HydrophobicContact CD1-CE1 4.2Å; F59-F161 AromaticContact CE1-CD1 3.64Å; F59-F161 HydrophobicContact CE1-CD1 3.64Å; F59-F161 AromaticContact CE1-CE1 3.57Å; F59-F161 HydrophobicContact CE1-CE1 3.57Å; F59-F161 AromaticContact CZ-CD1 3.72Å; F59-F161 HydrophobicContact CZ-CD1 3.72Å; F59-F161 AromaticContact CZ-CE1 4Å; F59-F161 HydrophobicContact CZ-CE1 4Å; F59-L164 HydrophobicContact CE1-CD2 4.36Å
60Y97.6Very high90.1Very high41 Ų4169.8 Ų69.816%0.16135%0.35CS..EExtended strand (participates in β ladder)trans-93.4100.2172.8-67.5-99000106.7K6 V7 V9 I42 R58 F78K6-Y60 HydrophobicContact CB-CD2 4.42Å; K6-Y60 HydrophobicContact CB-CE2 3.86Å; K6-Y60 HydrophobicContact CD-CE2 4.42Å; K6-Y60 HydrophobicContact CG-CE2 3.88Å; V7-Y60 PolarHBondContact O-N 3.14Å; V9-Y60 PolarHBondContact N-O 3.23Å; I42-Y60 HydrophobicContact CD1-CD1 4.1Å; I42-Y60 HydrophobicContact CD1-CE1 3.54Å; I42-Y60 HydrophobicContact CG1-CD1 3.91Å; I42-Y60 HydrophobicContact CG1-CE1 3.84Å; R58-Y60 HydrophobicContact CB-CE2 3.91Å; Y60-F78 AromaticContact CD1-CE1 3.83Å; Y60-F78 HydrophobicContact CD1-CE1 3.83Å; Y60-F78 HydrophobicContact CD1-CZ 4.15Å; Y60-F78 AromaticContact CD2-CE1 3.69Å; Y60-F78 HydrophobicContact CD2-CE1 3.69Å; Y60-F78 HydrophobicContact CD2-CZ 4.29Å; Y60-F78 AromaticContact CE1-CE1 3.66Å; Y60-F78 HydrophobicContact CE1-CE1 3.66Å; Y60-F78 AromaticContact CE1-CZ 3.5Å; Y60-F78 HydrophobicContact CE1-CZ 3.5Å; Y60-F78 AromaticContact CE2-CE1 3.53Å; Y60-F78 HydrophobicContact CE2-CE1 3.53Å; Y60-F78 AromaticContact CE2-CZ 3.68Å; Y60-F78 HydrophobicContact CE2-CZ 3.68Å; Y60-F78 AromaticContact CG-CE1 3.87Å; Y60-F78 HydrophobicContact CG-CE1 3.87Å; Y60-F78 AromaticContact CZ-CE1 3.54Å; Y60-F78 AromaticContact CZ-CZ 3.26Å; Y60-F78 WeakPolarHBondContact OH-CZ 3.43Å
61D96.4Very high90.4Very high1 Ų164.4 Ų64.41%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-78.8120.7174.8-169.523.6000108.7K17 T18 L21 T38 E40 D41 Y43K17-D61 WeakPolarHBondContact CB-OD1 3.29Å; T18-D61 WeakPolarHBondContact CA-OD2 3.38Å; T18-D61 VanDerWaalsContact CB-OD2 3.25Å; T18-D61 WeakPolarHBondContact CB-OD2 3.37Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.4Å; T18-D61 PolarHBondContact OG1-OD2 3.35Å; L21-D61 HydrophobicContact CD1-CB 3.73Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.44Å; E40-D61 WeakPolarHBondContact CA-O 3.06Å; D41-D61 PolarHBondContact N-O 2.95Å; D41-D61 PolarHBondContact O-N 3.31Å; Y43-D61 HydrophobicContact CD2-CB 4.02Å; Y43-D61 HydrophobicContact CE2-CB 3.8Å
62T95.4Very high90.7Very high3 Ų361.8 Ų61.82%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-102.7152.5-173.462.40000110.9V8 V9 K17 G64 F71 Y75V8-T62 HydrophobicContact CG1-CG2 3.85Å; V9-T62 PolarHBondContact O-N 3.02Å; V9-T62 PolarHBondContact O-OG1 3.42Å; K17-T62 WeakPolarHBondContact CE-O 3.32Å; T62-G64 PolarHBondContact O-N 2.94Å; T62-F71 HydrophobicContact CG2-CE2 4.27Å; T62-F71 HydrophobicContact CG2-CZ 4.4Å; T62-Y75 HydrophobicContact CG2-CE1 4.3Å; T62-Y75 HydrophobicContact CG2-CE2 3.89Å
63R93.6Very high91Very high121 Ų12166.7 Ų66.746%0.45732%0.319SS..PPolyproline II helixtrans-49.4138.5166.4-170.6166.378.4167.93.1110.4T38 L39 L65T38-R63 WeakPolarHBondContact O-CA 3.4Å; T38-R63 VanDerWaalsContact O-CG 3.26Å; T38-R63 WeakPolarHBondContact O-CG 3.36Å; L39-R63 WeakPolarHBondContact O-CA 3.36Å; L39-R63 VanDerWaalsContact O-CB 3.22Å; L39-R63 WeakPolarHBondContact O-CB 3.32Å; L39-R63 PolarHBondContact O-N 3.39Å; R63-L65 PolarHBondContact O-N 3.26Å
64G88.8Confident91.1Very high9 Ų968.5 Ų68.59%0.09332%0.323CS..PPolyproline II helixtrans-51.4123.8165.800000112.6K17 T62K17-G64 VanDerWaalsContact NZ-CA 3.27Å; T62-G64 PolarHBondContact O-N 2.94Å
65L89Confident91.3Very high13 Ų1360.6 Ų60.67%0.06829%0.293CS..BIsolated β-bridgetrans-64.8142.1172.5-67.8173.3000109.7G11 L12 A13 R63 F71 L100G11-L65 PolarHBondContact O-N 3.46Å; G11-L65 VanDerWaalsContact O-N 3.1Å; L12-L65 CarbonylContact C-O 3.55Å; L12-L65 WeakPolarHBondContact CD1-O 3.47Å; A13-L65 PolarHBondContact N-O 3.4Å; R63-L65 PolarHBondContact O-N 3.26Å; L65-F71 HydrophobicContact CD1-CB 4.28Å; L65-F71 HydrophobicContact CD1-CD2 3.92Å; L65-F71 HydrophobicContact CD1-CG 4.49Å; L65-F71 HydrophobicContact CD2-CD2 4.09Å; L65-F71 HydrophobicContact CG-CD2 4.34Å; L65-L100 HydrophobicContact CD1-CD1 3.85Å; L65-L100 HydrophobicContact CD1-CD2 3.72Å; L65-L100 HydrophobicContact CD1-CG 4.14Å
66R89Confident91.3Very high120 Ų12059.1 Ų59.145%0.45329%0.286SS..PPolyproline II helixtrans-102.6157.6169-57.4-174.9174.3-159.3-1.7108.1E37 L69E37-R66 IonicContact OE1-CZ 2.74Å; E37-R66 IonicContact OE1-NH2 3.57Å; E37-R66 PolarHBondContact OE1-NH2 2.97Å; E37-R66 IonicContact OE2-NH2 3.77Å; E37-R66 PolarHBondContact OE2-NH2 3.24Å; R66-L69 HydrophobicContact CB-CD1 3.81Å; R66-L69 HydrophobicContact CB-CG 4.18Å; R66-L69 HydrophobicContact CG-CD1 4.32Å; R66-L69 PolarHBondContact O-N 3.11Å
67D81.3Confident91.1Very high127 Ų12756.9 Ų56.968%0.67928%0.281SS*.THydrogen-bonded Turntrans-58141.9179.3-168.621.1000111L69D67-L69 PolarHBondContact O-N 3.39Å; D67-L69 VanDerWaalsContact O-N 3.16Å
68G75.8Confident90.9Very high72 Ų7259.7 Ų59.774%0.74229%0.294SS*.THydrogen-bonded Turntrans71.4-6.2-175.600000116.8
69L85.8Confident90.7Very high75 Ų7555.6 Ų55.639%0.39328%0.278SS..PPolyproline II helixtrans-88.2130.5177.5-61.4-172.6000112R66 D67 R96R66-L69 HydrophobicContact CB-CD1 3.81Å; R66-L69 HydrophobicContact CB-CG 4.18Å; R66-L69 HydrophobicContact CG-CD1 4.32Å; R66-L69 PolarHBondContact O-N 3.11Å; D67-L69 PolarHBondContact O-N 3.39Å; D67-L69 VanDerWaalsContact O-N 3.16Å; L69-R96 PolarHBondContact O-NH2 2.77Å
70E88Confident90.5Very high140 Ų14056.7 Ų56.765%0.65428%0.284SS*.PPolyproline II helixtrans-69148.6173.7-67.2-168.1176.400112R73E70-R73 IonicContact OE2-NH2 3.91Å
71F92.2Very high90.5Very high7 Ų754.7 Ų54.73%0.03128%0.276CS..PPolyproline II helixtrans-78.8134.3172.2-171.9-116.6000109.8V8 C10 T62 L65 R73 Y75 F76 F82 L100V8-F71 HydrophobicContact CG1-CE1 4.46Å; V8-F71 HydrophobicContact CG1-CZ 3.75Å; C10-F71 HydrophobicContact CB-CD2 4.34Å; C10-F71 HydrophobicContact CB-CE2 3.52Å; C10-F71 HydrophobicContact CB-CZ 3.65Å; T62-F71 HydrophobicContact CG2-CE2 4.27Å; T62-F71 HydrophobicContact CG2-CZ 4.4Å; L65-F71 HydrophobicContact CD1-CB 4.28Å; L65-F71 HydrophobicContact CD1-CD2 3.92Å; L65-F71 HydrophobicContact CD1-CG 4.49Å; L65-F71 HydrophobicContact CD2-CD2 4.09Å; L65-F71 HydrophobicContact CG-CD2 4.34Å; F71-R73 PolarHBondContact O-N 3.2Å; F71-R73 VanDerWaalsContact O-N 3.14Å; F71-Y75 HydrophobicContact CD1-CD2 4.45Å; F71-Y75 VanDerWaalsContact CE1-CB 3.45Å; F71-Y75 AromaticContact CE1-CD2 3.73Å; F71-Y75 HydrophobicContact CE1-CD2 3.73Å; F71-Y75 AromaticContact CE1-CG 3.94Å; F71-Y75 HydrophobicContact CE1-CG 3.94Å; F71-Y75 AromaticContact CE2-CD2 3.87Å; F71-Y75 HydrophobicContact CE2-CD2 3.87Å; F71-Y75 HydrophobicContact CE2-CE2 4.28Å; F71-Y75 AromaticContact CZ-CD2 3.37Å; F71-Y75 HydrophobicContact CZ-CD2 3.37Å; F71-Y75 HydrophobicContact CZ-CE2 4.13Å; F71-Y75 AromaticContact CZ-CG 3.79Å; F71-Y75 HydrophobicContact CZ-CG 3.79Å; F71-F76 HydrophobicContact CB-CZ 4.25Å; F71-F76 HydrophobicContact CD1-CD1 4.39Å; F71-F76 AromaticContact CD1-CE1 3.61Å; F71-F76 HydrophobicContact CD1-CE1 3.61Å; F71-F76 HydrophobicContact CD1-CE2 4.49Å; F71-F76 AromaticContact CD1-CZ 3.67Å; F71-F76 HydrophobicContact CD1-CZ 3.67Å; F71-F76 HydrophobicContact CE1-CE1 4.19Å; F71-F76 HydrophobicContact CG-CZ 4.46Å; F71-F82 HydrophobicContact CE1-CE1 4.27Å; F71-L100 HydrophobicContact CB-CD2 3.64Å; F71-L100 HydrophobicContact CD1-CD2 4.24Å; F71-L100 HydrophobicContact CD2-CD2 4.2Å; F71-L100 HydrophobicContact CG-CD2 3.78Å
72P92.6Very high90.5Very high49 Ų4954.7 Ų54.732%0.31828%0.276SS..PPolyproline II helixtrans-57.6120.7-176-26.835.4000112.6H74 Y75P72-H74 WeakPolarHBondContact CB-CE1 3.43Å; P72-H74 WeakPolarHBondContact CB-ND1 3.43Å; P72-H74 PolarHBondContact O-N 2.74Å; P72-H74 VanDerWaalsContact O-N 3.08Å; P72-Y75 HydrophobicContact CB-CD2 3.84Å; P72-Y75 HydrophobicContact CB-CE2 3.96Å; P72-Y75 HydrophobicContact CG-CD2 4.2Å; P72-Y75 HydrophobicContact CG-CE2 3.99Å; P72-Y75 PolarHBondContact O-N 3.22Å; P72-Y75 VanDerWaalsContact O-N 3.14Å
73R91.4Very high90.7Very high156 Ų15654.6 Ų54.659%0.58928%0.275SS*.THydrogen-bonded Turntrans-60.1-27.4-170.8-65-173.7-177.1-175.81.2114.5E70 F71 Y75 F76E70-R73 IonicContact OE2-NH2 3.91Å; F71-R73 PolarHBondContact O-N 3.2Å; F71-R73 VanDerWaalsContact O-N 3.14Å; R73-Y75 PolarHBondContact O-N 2.76Å; R73-F76 HydrophobicContact CB-CD2 4.19Å; R73-F76 HydrophobicContact CB-CE2 4.38Å; R73-F76 HydrophobicContact CG-CD2 4.49Å; R73-F76 HydrophobicContact CG-CE2 4.26Å; R73-F76 VanDerWaalsContact O-CD2 3.29Å; R73-F76 WeakPolarHBondContact O-CD2 3.36Å; R73-F76 PolarHBondContact O-N 3.02Å; R73-F76 VanDerWaalsContact O-N 3.15Å
74H91.7Very high90.9Very high105 Ų10548.8 Ų48.849%0.48625%0.254SS..Hα-helixtrans-62.6-25-17969.4-93.2000112.7P72 F76 S77 F78P72-H74 WeakPolarHBondContact CB-CE1 3.43Å; P72-H74 WeakPolarHBondContact CB-ND1 3.43Å; P72-H74 PolarHBondContact O-N 2.74Å; P72-H74 VanDerWaalsContact O-N 3.08Å; H74-F76 VanDerWaalsContact C-N 3.31Å; H74-F76 PolarHBondContact O-N 3.38Å; H74-S77 PolarHBondContact O-OG 3.47Å; H74-F78 WeakPolarHBondContact O-CB 3.43Å; H74-F78 PolarHBondContact O-N 2.94Å
75Y93.7Very high91.4Very high9 Ų948.4 Ų48.44%0.03525%0.249CC..Hα-helixtrans-67.4-29.8176.8-72.2-57000113.1V8 E40 T62 F71 P72 R73 S77 F78 A79 F82V8-Y75 HydrophobicContact CG1-CD1 4.03Å; V8-Y75 HydrophobicContact CG1-CG 4.12Å; V8-Y75 HydrophobicContact CG2-CD1 3.66Å; V8-Y75 HydrophobicContact CG2-CE1 4.36Å; V8-Y75 HydrophobicContact CG2-CG 4.3Å; E40-Y75 PolarHBondContact OE1-OH 3.42Å; E40-Y75 PolarHBondContact OE2-OH 3.39Å; T62-Y75 HydrophobicContact CG2-CE1 4.3Å; T62-Y75 HydrophobicContact CG2-CE2 3.89Å; F71-Y75 HydrophobicContact CD1-CD2 4.45Å; F71-Y75 VanDerWaalsContact CE1-CB 3.45Å; F71-Y75 AromaticContact CE1-CD2 3.73Å; F71-Y75 HydrophobicContact CE1-CD2 3.73Å; F71-Y75 AromaticContact CE1-CG 3.94Å; F71-Y75 HydrophobicContact CE1-CG 3.94Å; F71-Y75 AromaticContact CE2-CD2 3.87Å; F71-Y75 HydrophobicContact CE2-CD2 3.87Å; F71-Y75 HydrophobicContact CE2-CE2 4.28Å; F71-Y75 AromaticContact CZ-CD2 3.37Å; F71-Y75 HydrophobicContact CZ-CD2 3.37Å; F71-Y75 HydrophobicContact CZ-CE2 4.13Å; F71-Y75 AromaticContact CZ-CG 3.79Å; F71-Y75 HydrophobicContact CZ-CG 3.79Å; P72-Y75 HydrophobicContact CB-CD2 3.84Å; P72-Y75 HydrophobicContact CB-CE2 3.96Å; P72-Y75 HydrophobicContact CG-CD2 4.2Å; P72-Y75 HydrophobicContact CG-CE2 3.99Å; P72-Y75 PolarHBondContact O-N 3.22Å; P72-Y75 VanDerWaalsContact O-N 3.14Å; R73-Y75 PolarHBondContact O-N 2.76Å; Y75-S77 PolarHBondContact O-N 2.96Å; Y75-F78 HydrophobicContact CD1-CD1 4.36Å; Y75-F78 PolarHBondContact O-N 2.96Å; Y75-A79 WeakPolarHBondContact O-CB 3.31Å; Y75-A79 PolarHBondContact O-N 3.42Å; Y75-A79 VanDerWaalsContact O-N 3.11Å; Y75-F82 WeakPolarHBondContact O-CZ 3.31Å
76F92.3Very high91.9Very high6 Ų647.8 Ų47.83%0.02625%0.246CC..Hα-helixtrans-65.8-36.3-177.3-57.4-52.9000113.5F71 R73 H74 F82 D103 I104 F107F71-F76 HydrophobicContact CB-CZ 4.25Å; F71-F76 HydrophobicContact CD1-CD1 4.39Å; F71-F76 AromaticContact CD1-CE1 3.61Å; F71-F76 HydrophobicContact CD1-CE1 3.61Å; F71-F76 HydrophobicContact CD1-CE2 4.49Å; F71-F76 AromaticContact CD1-CZ 3.67Å; F71-F76 HydrophobicContact CD1-CZ 3.67Å; F71-F76 HydrophobicContact CE1-CE1 4.19Å; F71-F76 HydrophobicContact CG-CZ 4.46Å; R73-F76 HydrophobicContact CB-CD2 4.19Å; R73-F76 HydrophobicContact CB-CE2 4.38Å; R73-F76 HydrophobicContact CG-CD2 4.49Å; R73-F76 HydrophobicContact CG-CE2 4.26Å; R73-F76 VanDerWaalsContact O-CD2 3.29Å; R73-F76 WeakPolarHBondContact O-CD2 3.36Å; R73-F76 PolarHBondContact O-N 3.02Å; R73-F76 VanDerWaalsContact O-N 3.15Å; H74-F76 VanDerWaalsContact C-N 3.31Å; H74-F76 PolarHBondContact O-N 3.38Å; F76-F82 HydrophobicContact CD1-CZ 4.41Å; F76-D103 HydrophobicContact CE1-CB 4.17Å; F76-D103 HydrophobicContact CZ-CB 3.84Å; F76-I104 HydrophobicContact CD1-CB 4.44Å; F76-I104 HydrophobicContact CD1-CG1 3.83Å; F76-I104 HydrophobicContact CE1-CG1 3.7Å; F76-F107 HydrophobicContact CB-CB 4.02Å; F76-F107 HydrophobicContact CD2-CB 3.53Å; F76-F107 HydrophobicContact CD2-CD2 4.18Å; F76-F107 HydrophobicContact CD2-CG 4.16Å; F76-F107 HydrophobicContact CE2-CB 4.1Å; F76-F107 AromaticContact CE2-CD2 3.85Å; F76-F107 HydrophobicContact CE2-CD2 3.85Å; F76-F107 HydrophobicContact CE2-CG 4.29Å; F76-F107 HydrophobicContact CG-CB 3.81Å; F76-F107 HydrophobicContact CZ-CD2 4.33Å
77S88.8Confident92.3Very high52 Ų5242.2 Ų42.236%0.36423%0.226SC..Hα-helixtrans-87.8-27.8177.262.30000112.4H74 Y75 D109 K110H74-S77 PolarHBondContact O-OG 3.47Å; Y75-S77 PolarHBondContact O-N 2.96Å; S77-D109 WeakPolarHBondContact CB-OD2 3.34Å; S77-K110 WeakPolarHBondContact O-CE 3.15Å
78F89.9Confident93.1Very high61 Ų6136.2 Ų36.227%0.26819%0.193SC..Hα-helixtrans-73.9-45.9-175.8174.2-104.5000114.1K6 V8 Y60 H74 Y75 K110K6-F78 HydrophobicContact CB-CE1 4.19Å; K6-F78 HydrophobicContact CB-CZ 4.42Å; K6-F78 HydrophobicContact CD-CD2 4.34Å; K6-F78 HydrophobicContact CD-CE1 4.04Å; K6-F78 HydrophobicContact CD-CE2 3.61Å; K6-F78 HydrophobicContact CD-CZ 3.46Å; K6-F78 VanDerWaalsContact CD-CZ 3.46Å; K6-F78 HydrophobicContact CG-CZ 4.26Å; K6-F78 PolarHBondContact NZ-O 3.32Å; V8-F78 HydrophobicContact CG2-CD1 4.19Å; Y60-F78 AromaticContact CD1-CE1 3.83Å; Y60-F78 HydrophobicContact CD1-CE1 3.83Å; Y60-F78 HydrophobicContact CD1-CZ 4.15Å; Y60-F78 AromaticContact CD2-CE1 3.69Å; Y60-F78 HydrophobicContact CD2-CE1 3.69Å; Y60-F78 HydrophobicContact CD2-CZ 4.29Å; Y60-F78 AromaticContact CE1-CE1 3.66Å; Y60-F78 HydrophobicContact CE1-CE1 3.66Å; Y60-F78 AromaticContact CE1-CZ 3.5Å; Y60-F78 HydrophobicContact CE1-CZ 3.5Å; Y60-F78 AromaticContact CE2-CE1 3.53Å; Y60-F78 HydrophobicContact CE2-CE1 3.53Å; Y60-F78 AromaticContact CE2-CZ 3.68Å; Y60-F78 HydrophobicContact CE2-CZ 3.68Å; Y60-F78 AromaticContact CG-CE1 3.87Å; Y60-F78 HydrophobicContact CG-CE1 3.87Å; Y60-F78 AromaticContact CZ-CE1 3.54Å; Y60-F78 AromaticContact CZ-CZ 3.26Å; Y60-F78 WeakPolarHBondContact OH-CZ 3.43Å; H74-F78 WeakPolarHBondContact O-CB 3.43Å; H74-F78 PolarHBondContact O-N 2.94Å; Y75-F78 HydrophobicContact CD1-CD1 4.36Å; Y75-F78 PolarHBondContact O-N 2.96Å; F78-K110 PolarHBondContact O-NZ 2.85Å
79A94.3Very high94.2Very high0 Ų034.3 Ų34.30%017%0.166CC..  trans-72.4139.4-167.800000113.1V8 Y75 F82 K110V8-A79 HydrophobicContact CB-CB 4.2Å; V8-A79 HydrophobicContact CG2-CB 3.64Å; Y75-A79 WeakPolarHBondContact O-CB 3.31Å; Y75-A79 PolarHBondContact O-N 3.42Å; Y75-A79 VanDerWaalsContact O-N 3.11Å; A79-F82 HydrophobicContact CB-CD2 4.22Å; A79-F82 HydrophobicContact CB-CE1 3.95Å; A79-F82 HydrophobicContact CB-CE2 3.58Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; A79-K110 PolarHBondContact O-NZ 3.1Å
80D93.8Very high94.8Very high23 Ų2332.3 Ų32.312%0.12316%0.159CC..SBendtrans-85.8-23.2167-59.2-53.1000111.5K6 K110K6-D80 PolarHBondContact N-OD2 3.07Å; K6-D80 WeakPolarHBondContact O-CA 3.35Å; K6-D80 PolarHBondContact O-N 2.84Å; D80-K110 IonicContact OD1-NZ 3.27Å; D80-K110 PolarHBondContact OD1-NZ 3.23Å
81G96.3Very high95.2Very high0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-157167171.800000112.8K6 V7 V8 T114K6-G81 PolarHBondContact O-N 3.43Å; V7-G81 VanDerWaalsContact CA-O 3.31Å; V7-G81 WeakPolarHBondContact CA-O 3.36Å; V8-G81 PolarHBondContact N-O 2.92Å; G81-T114 CarbonylContact C-O 3.6Å; G81-T114 WeakPolarHBondContact CA-O 3.43Å
82F98.1Very high95.5Very high0 Ų035.2 Ų35.20%017%0.17CC..EExtended strand (participates in β ladder)trans-126.3142.7177.5-69.4-91.3000111.2V8 F71 Y75 F76 A79 L84 I104 V113 T114 I115 V116V8-F82 HydrophobicContact CB-CD1 3.79Å; V8-F82 HydrophobicContact CB-CE1 3.76Å; V8-F82 HydrophobicContact CG1-CD1 4.13Å; V8-F82 HydrophobicContact CG1-CE1 4.01Å; V8-F82 HydrophobicContact CG2-CE1 4.37Å; V8-F82 WeakPolarHBondContact O-CA 3.44Å; F71-F82 HydrophobicContact CE1-CE1 4.27Å; Y75-F82 WeakPolarHBondContact O-CZ 3.31Å; F76-F82 HydrophobicContact CD1-CZ 4.41Å; A79-F82 HydrophobicContact CB-CD2 4.22Å; A79-F82 HydrophobicContact CB-CE1 3.95Å; A79-F82 HydrophobicContact CB-CE2 3.58Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; F82-L84 HydrophobicContact CB-CD2 4.15Å; F82-I104 HydrophobicContact CB-CD1 4.16Å; F82-I104 HydrophobicContact CD1-CD1 3.77Å; F82-I104 HydrophobicContact CD1-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CD1 4.04Å; F82-I104 HydrophobicContact CD2-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CG2 3.95Å; F82-I104 HydrophobicContact CE1-CD1 4.15Å; F82-I104 HydrophobicContact CE1-CG1 4.29Å; F82-I104 HydrophobicContact CE2-CD1 4.39Å; F82-I104 HydrophobicContact CE2-CG1 4.29Å; F82-I104 HydrophobicContact CE2-CG2 3.85Å; F82-I104 HydrophobicContact CG-CD1 3.72Å; F82-I104 HydrophobicContact CG-CG1 4.46Å; F82-I104 HydrophobicContact CZ-CD1 4.45Å; F82-I104 HydrophobicContact CZ-CG1 4.24Å; F82-V113 HydrophobicContact CD2-CG1 3.51Å; F82-V113 HydrophobicContact CE2-CG1 3.75Å; F82-T114 PolarHBondContact N-O 3.41Å; F82-I115 HydrophobicContact CB-CG1 4.37Å; F82-I115 HydrophobicContact CB-CG2 4.46Å; F82-I115 WeakPolarHBondContact O-CA 3.37Å; F82-V116 PolarHBondContact O-N 3.03Å
83V98.6Very high95.7Very high1 Ų132.9 Ų32.91%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-112.5112.7161.9178.30000107.2V7 V8 V9 C10 V85 V116 L118 F161 L164V7-V83 HydrophobicContact CG1-CG2 3.77Å; V8-V83 PolarHBondContact O-N 3.45Å; V9-V83 WeakPolarHBondContact CA-O 3.3Å; V9-V83 HydrophobicContact CG1-CB 4.33Å; V9-V83 HydrophobicContact CG1-CG1 4.37Å; V9-V83 HydrophobicContact CG2-CB 4.24Å; C10-V83 PolarHBondContact N-O 3.08Å; V83-V85 HydrophobicContact CG1-CG2 3.98Å; V83-V116 CarbonylContact C-O 3.53Å; V83-V116 WeakPolarHBondContact CA-O 3.45Å; V83-L118 HydrophobicContact CG1-CD1 3.54Å; V83-L118 HydrophobicContact CG1-CG 3.84Å; V83-F161 HydrophobicContact CG1-CZ 4.48Å; V83-F161 HydrophobicContact CG2-CE1 4.26Å; V83-L164 HydrophobicContact CG2-CD2 3.64Å
84L98.6Very high96.1Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-94.5124176-48.8-176000109.1C10 F82 M97 K101 I104 I115 V116 V117 L118C10-L84 WeakPolarHBondContact O-CA 3.37Å; C10-L84 WeakPolarHBondContact SG-CD2 3.18Å; F82-L84 HydrophobicContact CB-CD2 4.15Å; L84-M97 HydrophobicContact CB-CG 3.7Å; L84-M97 HydrophobicContact CB-SD 4.41Å; L84-M97 HydrophobicContact CD1-CG 4.29Å; L84-M97 HydrophobicContact CD1-SD 4.23Å; L84-K101 HydrophobicContact CD1-CB 3.85Å; L84-I104 HydrophobicContact CD1-CD1 4.37Å; L84-I104 HydrophobicContact CD2-CD1 3.63Å; L84-I115 HydrophobicContact CD1-CG2 3.97Å; L84-I115 HydrophobicContact CG-CG2 4.01Å; L84-V116 PolarHBondContact N-O 3.16Å; L84-V117 HydrophobicContact CB-CG2 4.27Å; L84-V117 HydrophobicContact CD1-CG2 4.35Å; L84-V117 CarbonylContact O-C 3.53Å; L84-V117 WeakPolarHBondContact O-CA 3.3Å; L84-L118 PolarHBondContact O-N 3.25Å
85V98.8Very high96.3Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-114.7126-176.8-1680000109.7V9 C10 G11 V15 K17 V83 L118 N120V9-V85 HydrophobicContact CG1-CG2 3.9Å; C10-V85 PolarHBondContact O-N 2.94Å; G11-V85 WeakPolarHBondContact CA-O 3.44Å; V15-V85 HydrophobicContact CB-CG1 4.18Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.74Å; K17-V85 HydrophobicContact CG-CB 4.06Å; K17-V85 HydrophobicContact CG-CG2 4.08Å; V83-V85 HydrophobicContact CG1-CG2 3.98Å; V85-L118 WeakPolarHBondContact CA-O 3.41Å; V85-L118 HydrophobicContact CG1-CB 4.46Å; V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; V85-N120 HydrophobicContact CG1-CB 4.01Å
86Y98.8Very high96.5Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-120.6168.2162.876.1-84.7000108.6I88 S93 F94 M97 V117 L118 N120 V130 A135 L146Y86-I88 HydrophobicContact CE2-CG2 4.21Å; Y86-S93 WeakPolarHBondContact CB-OG 3.47Å; Y86-F94 AromaticContact CD1-CD2 3.96Å; Y86-F94 HydrophobicContact CD1-CD2 3.96Å; Y86-F94 HydrophobicContact CD2-CB 4.02Å; Y86-F94 AromaticContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CG 4.4Å; Y86-F94 AromaticContact CE1-CD2 3.91Å; Y86-F94 HydrophobicContact CE1-CD2 3.91Å; Y86-F94 HydrophobicContact CE1-CE2 4.17Å; Y86-F94 AromaticContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CE2 4.48Å; Y86-F94 HydrophobicContact CG-CB 4.33Å; Y86-F94 AromaticContact CG-CD2 3.9Å; Y86-F94 HydrophobicContact CG-CD2 3.9Å; Y86-F94 AromaticContact CZ-CD2 3.8Å; Y86-M97 HydrophobicContact CD1-CE 4Å; Y86-M97 HydrophobicContact CD1-CG 4.46Å; Y86-M97 HydrophobicContact CE1-CE 4.37Å; Y86-V117 HydrophobicContact CD1-CG1 4.03Å; Y86-V117 HydrophobicContact CE1-CG1 3.99Å; Y86-L118 VanDerWaalsContact CD1-O 3.3Å; Y86-L118 WeakPolarHBondContact CD1-O 3.24Å; Y86-L118 PolarHBondContact N-O 3.07Å; Y86-N120 PolarHBondContact O-N 3.31Å; Y86-V130 HydrophobicContact CD2-CG2 4.35Å; Y86-V130 HydrophobicContact CE2-CB 4.16Å; Y86-V130 HydrophobicContact CE2-CG1 3.88Å; Y86-V130 HydrophobicContact CE2-CG2 4.25Å; Y86-A135 WeakPolarHBondContact OH-CB 3.33Å; Y86-L146 HydrophobicContact CE1-CD1 3.86Å; Y86-L146 HydrophobicContact CE1-CG 4.38Å
87S98.3Very high96.7Very high4 Ų426.5 Ų26.53%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-113.6138172.865.20000110.5D89 S90 S93 N120S87-D89 WeakPolarHBondContact CB-OD1 3.45Å; S87-D89 PolarHBondContact O-N 3.34Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.23Å; S87-S90 PolarHBondContact O-N 3.06Å; S87-S90 WeakPolarHBondContact OG-CB 3.21Å; S87-S93 PolarHBondContact N-OG 2.95Å; S87-S93 PolarHBondContact O-OG 2.97Å; S87-N120 WeakPolarHBondContact CA-O 3.37Å
88I98.5Very high97.2Very high0 Ų026.4 Ų26.40%012%0.124CC..THydrogen-bonded Turntrans-64.7-21-173.765.6158.1000113.1Y86 S90 N120 K121 R128 N129 V130 E148Y86-I88 HydrophobicContact CE2-CG2 4.21Å; I88-S90 VanDerWaalsContact C-N 3.32Å; I88-N120 PolarHBondContact N-O 3.49Å; I88-K121 VanDerWaalsContact CD1-O 3.26Å; I88-K121 WeakPolarHBondContact CD1-O 3.22Å; I88-K121 VanDerWaalsContact CG1-O 3.27Å; I88-K121 WeakPolarHBondContact CG1-O 3.26Å; I88-R128 HydrophobicContact CD1-CB 4.42Å; I88-N129 PolarHBondContact O-N 2.8Å; I88-V130 PolarHBondContact O-N 2.77Å; I88-E148 HydrophobicContact CG2-CG 4.48Å
89D98.1Very high97.5Very high32 Ų3225.2 Ų25.217%0.17113%0.125CC..THydrogen-bonded Turntrans-82.4-3.9176.766.3-20000113.2S87 K121 Q127 N129S87-D89 WeakPolarHBondContact CB-OD1 3.45Å; S87-D89 PolarHBondContact O-N 3.34Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.23Å; D89-K121 IonicContact OD1-NZ 3.43Å; D89-K121 IonicContact OD2-NZ 3.51Å; D89-K121 PolarHBondContact OD2-NZ 3.2Å; D89-Q127 WeakPolarHBondContact CA-O 3.42Å; D89-Q127 HydrophobicContact CB-CB 4.22Å; D89-N129 PolarHBondContact O-ND2 2.79Å
90S97.9Very high97.6Very high34 Ų3425.2 Ų25.224%0.23813%0.125CC..  trans-133.4101.4-175.7178.40000112.4S87 I88 E92 S93 F94S87-S90 PolarHBondContact O-N 3.06Å; S87-S90 WeakPolarHBondContact OG-CB 3.21Å; I88-S90 VanDerWaalsContact C-N 3.32Å; S90-E92 PolarHBondContact O-N 3.17Å; S90-S93 WeakPolarHBondContact CB-OG 3.24Å; S90-S93 PolarHBondContact O-N 3.09Å; S90-S93 VanDerWaalsContact O-N 3.13Å; S90-S93 PolarHBondContact O-OG 3.16Å; S90-S93 PolarHBondContact OG-N 3.35Å; S90-F94 PolarHBondContact O-N 3.25Å
91K97.5Very high97.7Very high132 Ų13224.5 Ų24.557%0.57412%0.121SC*.Hα-helixtrans-58.3-32.5172.9-172.4172.5-175.5172.40112.7F94 K95K91-F94 PolarHBondContact O-N 3.01Å; K91-K95 PolarHBondContact O-N 3.02Å; K91-K95 VanDerWaalsContact O-N 3.09Å
92E97.1Very high97.7Very high75 Ų7530 Ų3035%0.3515%0.145SC..Hα-helixtrans-68.9-39.9177.9-169.152.8-144.300111.8S90 F94 K95 R96S90-E92 PolarHBondContact O-N 3.17Å; E92-F94 VanDerWaalsContact C-N 3.26Å; E92-F94 PolarHBondContact O-N 2.73Å; E92-K95 PolarHBondContact O-N 3.46Å; E92-K95 IonicContact OE2-NZ 2.66Å; E92-R96 PolarHBondContact O-N 3.3Å
93S98.1Very high97.6Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-61.7-36.3174.379.60000112.4Y86 S87 S90 R96 M97Y86-S93 WeakPolarHBondContact CB-OG 3.47Å; S87-S93 PolarHBondContact N-OG 2.95Å; S87-S93 PolarHBondContact O-OG 2.97Å; S90-S93 WeakPolarHBondContact CB-OG 3.24Å; S90-S93 PolarHBondContact O-N 3.09Å; S90-S93 VanDerWaalsContact O-N 3.13Å; S90-S93 PolarHBondContact O-OG 3.16Å; S90-S93 PolarHBondContact OG-N 3.35Å; S93-R96 PolarHBondContact O-N 3.36Å; S93-M97 WeakPolarHBondContact O-CB 3.38Å; S93-M97 PolarHBondContact O-N 2.86Å
94F98.4Very high97.4Very high13 Ų1331.7 Ų31.76%0.05715%0.154CC..Hα-helixtrans-65.2-50.4175.3-175.1-98.5000111.4Y86 S90 K91 E92 R96 M97 E98 V130 A135 W138Y86-F94 AromaticContact CD1-CD2 3.96Å; Y86-F94 HydrophobicContact CD1-CD2 3.96Å; Y86-F94 HydrophobicContact CD2-CB 4.02Å; Y86-F94 AromaticContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CG 4.4Å; Y86-F94 AromaticContact CE1-CD2 3.91Å; Y86-F94 HydrophobicContact CE1-CD2 3.91Å; Y86-F94 HydrophobicContact CE1-CE2 4.17Å; Y86-F94 AromaticContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CE2 4.48Å; Y86-F94 HydrophobicContact CG-CB 4.33Å; Y86-F94 AromaticContact CG-CD2 3.9Å; Y86-F94 HydrophobicContact CG-CD2 3.9Å; Y86-F94 AromaticContact CZ-CD2 3.8Å; S90-F94 PolarHBondContact O-N 3.25Å; K91-F94 PolarHBondContact O-N 3.01Å; E92-F94 VanDerWaalsContact C-N 3.26Å; E92-F94 PolarHBondContact O-N 2.73Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.25Å; F94-M97 HydrophobicContact CD2-CE 3.51Å; F94-M97 HydrophobicContact CE2-CE 3.36Å; F94-M97 HydrophobicContact CG-CE 4.27Å; F94-M97 HydrophobicContact CZ-CE 4.03Å; F94-M97 WeakPolarHBondContact O-CA 3.24Å; F94-M97 VanDerWaalsContact O-CB 3.31Å; F94-M97 WeakPolarHBondContact O-CB 3.39Å; F94-M97 PolarHBondContact O-N 2.94Å; F94-E98 HydrophobicContact CD1-CG 4.12Å; F94-E98 HydrophobicContact CE1-CG 3.83Å; F94-E98 HydrophobicContact CZ-CG 4.29Å; F94-E98 WeakPolarHBondContact O-CG 3.45Å; F94-E98 PolarHBondContact O-N 2.95Å; F94-V130 HydrophobicContact CB-CG1 4.29Å; F94-V130 HydrophobicContact CB-CG2 3.8Å; F94-V130 HydrophobicContact CD1-CG1 4.48Å; F94-V130 HydrophobicContact CD2-CG1 3.84Å; F94-V130 HydrophobicContact CE2-CG1 4.28Å; F94-V130 HydrophobicContact CG-CG1 3.94Å; F94-V130 HydrophobicContact CG-CG2 4.36Å; F94-A135 HydrophobicContact CE2-CB 3.76Å; F94-A135 HydrophobicContact CZ-CB 4.18Å; F94-W138 HydrophobicContact CE2-CE3 4.48Å; F94-W138 HydrophobicContact CZ-CB 4.06Å; F94-W138 HydrophobicContact CZ-CD2 4.12Å; F94-W138 HydrophobicContact CZ-CE3 4.3Å; F94-W138 AromaticContact CZ-CG 4Å; F94-W138 HydrophobicContact CZ-CG 4Å
95K97.4Very high97.2Very high104 Ų10434.3 Ų34.345%0.45217%0.168SC..Hα-helixtrans-57-40.9175.9-70.4179-172.7169.20112.5K91 E92 M97 E98 A99K91-K95 PolarHBondContact O-N 3.02Å; K91-K95 VanDerWaalsContact O-N 3.09Å; E92-K95 PolarHBondContact O-N 3.46Å; E92-K95 IonicContact OE2-NZ 2.66Å; K95-M97 VanDerWaalsContact C-N 3.3Å; K95-M97 PolarHBondContact O-N 3.28Å; K95-E98 WeakPolarHBondContact O-CB 3.19Å; K95-E98 PolarHBondContact O-N 2.88Å; K95-A99 PolarHBondContact O-N 3.01Å
96R96.6Very high96.9Very high26 Ų2642.9 Ų42.910%0.09820%0.2CC..Hα-helixtrans-63.5-39.4177-172.966.4-174.8113.1-10.8111.5L12 L69 E92 S93 F94 A99 L100L12-R96 HydrophobicContact CD1-CB 4.28Å; L12-R96 HydrophobicContact CD1-CG 4.05Å; L69-R96 PolarHBondContact O-NH2 2.77Å; E92-R96 PolarHBondContact O-N 3.3Å; S93-R96 PolarHBondContact O-N 3.36Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.25Å; R96-A99 PolarHBondContact O-N 2.8Å; R96-L100 WeakPolarHBondContact O-CG 2.96Å; R96-L100 PolarHBondContact O-N 2.81Å
97M97.7Very high96.6Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-62.5-42.7174.2178.6-76.9-60.200111.7L84 Y86 S93 F94 K95 A99 L100 K101 V117 W138L84-M97 HydrophobicContact CB-CG 3.7Å; L84-M97 HydrophobicContact CB-SD 4.41Å; L84-M97 HydrophobicContact CD1-CG 4.29Å; L84-M97 HydrophobicContact CD1-SD 4.23Å; Y86-M97 HydrophobicContact CD1-CE 4Å; Y86-M97 HydrophobicContact CD1-CG 4.46Å; Y86-M97 HydrophobicContact CE1-CE 4.37Å; S93-M97 WeakPolarHBondContact O-CB 3.38Å; S93-M97 PolarHBondContact O-N 2.86Å; F94-M97 HydrophobicContact CD2-CE 3.51Å; F94-M97 HydrophobicContact CE2-CE 3.36Å; F94-M97 HydrophobicContact CG-CE 4.27Å; F94-M97 HydrophobicContact CZ-CE 4.03Å; F94-M97 WeakPolarHBondContact O-CA 3.24Å; F94-M97 VanDerWaalsContact O-CB 3.31Å; F94-M97 WeakPolarHBondContact O-CB 3.39Å; F94-M97 PolarHBondContact O-N 2.94Å; K95-M97 VanDerWaalsContact C-N 3.3Å; K95-M97 PolarHBondContact O-N 3.28Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 2.89Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 2.88Å; M97-K101 PolarHBondContact O-N 3.43Å; M97-V117 HydrophobicContact CE-CG1 3.96Å; M97-V117 HydrophobicContact CG-CG1 4.16Å; M97-V117 HydrophobicContact SD-CG1 3.72Å; M97-V117 HydrophobicContact SD-CG2 4.27Å; M97-W138 HydrophobicContact CE-CD2 4.43Å; M97-W138 HydrophobicContact CE-CE3 3.95Å; M97-W138 HydrophobicContact CE-CH2 3.66Å; M97-W138 HydrophobicContact CE-CZ2 4.1Å; M97-W138 HydrophobicContact CE-CZ3 3.56Å; M97-W138 HydrophobicContact SD-CH2 3.18Å; M97-W138 WeakPolarHBondContact SD-CH2 3.27Å; M97-W138 HydrophobicContact SD-CZ2 3.8Å; M97-W138 HydrophobicContact SD-CZ3 3.61Å
98E97.8Very high96.1Very high49 Ų4950.6 Ų50.623%0.22923%0.231CC..Hα-helixtrans-60.2-43174.7-59.7-178.29400111.9F94 K95 K101 K102 W138F94-E98 HydrophobicContact CD1-CG 4.12Å; F94-E98 HydrophobicContact CE1-CG 3.83Å; F94-E98 HydrophobicContact CZ-CG 4.29Å; F94-E98 WeakPolarHBondContact O-CG 3.45Å; F94-E98 PolarHBondContact O-N 2.95Å; K95-E98 WeakPolarHBondContact O-CB 3.19Å; K95-E98 PolarHBondContact O-N 2.88Å; E98-K101 PolarHBondContact O-N 2.85Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 3.01Å; E98-W138 HydrophobicContact CB-CZ2 4.31Å; E98-W138 HydrophobicContact CG-CD2 4.41Å; E98-W138 HydrophobicContact CG-CZ2 4.1Å; E98-W138 PolarHBondContact OE1-NE1 3.49Å
99A96.6Very high95.3Very high37 Ų3756.7 Ų56.731%0.30626%0.264SS..Hα-helixtrans-63.4-4417600000111.8K95 R96 M97 K101 K102 D103K95-A99 PolarHBondContact O-N 3.01Å; R96-A99 PolarHBondContact O-N 2.8Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 2.89Å; A99-K101 VanDerWaalsContact C-N 3.32Å; A99-K101 PolarHBondContact O-N 3.19Å; A99-K102 WeakPolarHBondContact O-CB 3.41Å; A99-K102 PolarHBondContact O-N 3.15Å; A99-D103 PolarHBondContact O-N 3.45Å
100L96.4Very high94.3Very high0 Ų058 Ų580%027%0.268CS..Hα-helixtrans-58.8-42.3175.7-79.2169.6000112.3L65 F71 R96 M97 K102 D103 I104L65-L100 HydrophobicContact CD1-CD1 3.85Å; L65-L100 HydrophobicContact CD1-CD2 3.72Å; L65-L100 HydrophobicContact CD1-CG 4.14Å; F71-L100 HydrophobicContact CB-CD2 3.64Å; F71-L100 HydrophobicContact CD1-CD2 4.24Å; F71-L100 HydrophobicContact CD2-CD2 4.2Å; F71-L100 HydrophobicContact CG-CD2 3.78Å; R96-L100 WeakPolarHBondContact O-CG 2.96Å; R96-L100 PolarHBondContact O-N 2.81Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 2.88Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.44Å; L100-D103 PolarHBondContact O-N 2.89Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.5Å; L100-I104 PolarHBondContact O-N 2.92Å
101K97.2Very high93.1Very high7 Ų766.1 Ų66.13%0.0330%0.299CS..Hα-helixtrans-59.7-44.7176.1175.252.2172.355.40111.5L84 M97 E98 A99 D103 I104 D105 I115 W138 E142 V144L84-K101 HydrophobicContact CD1-CB 3.85Å; M97-K101 PolarHBondContact O-N 3.43Å; E98-K101 PolarHBondContact O-N 2.85Å; A99-K101 VanDerWaalsContact C-N 3.32Å; A99-K101 PolarHBondContact O-N 3.19Å; K101-D103 VanDerWaalsContact C-N 3.34Å; K101-D103 PolarHBondContact O-N 3.2Å; K101-I104 PolarHBondContact O-N 3.02Å; K101-D105 VanDerWaalsContact NZ-CG 3.28Å; K101-D105 IonicContact NZ-OD1 2.88Å; K101-D105 PolarHBondContact NZ-OD1 2.8Å; K101-D105 IonicContact NZ-OD2 2.76Å; K101-D105 PolarHBondContact NZ-OD2 3Å; K101-D105 PolarHBondContact O-N 2.91Å; K101-I115 HydrophobicContact CD-CD1 3.72Å; K101-I115 HydrophobicContact CD-CG2 4.49Å; K101-W138 HydrophobicContact CB-CH2 4.24Å; K101-W138 HydrophobicContact CB-CZ2 4.05Å; K101-W138 HydrophobicContact CG-CH2 4.24Å; K101-W138 HydrophobicContact CG-CZ2 4.09Å; K101-E142 IonicContact NZ-OE2 2.8Å; K101-E142 PolarHBondContact NZ-OE2 3.04Å; K101-V144 HydrophobicContact CD-CG1 4.31Å; K101-V144 VanDerWaalsContact CE-CG1 3.41Å
102K96.1Very high92.3Very high115 Ų11567 Ų6750%0.531%0.305SS..Hα-helixtrans-62.1-40.8175.9-69.1172.5-177.4172.10112.2E98 A99 L100 D105 R106E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 3.01Å; A99-K102 WeakPolarHBondContact O-CB 3.41Å; A99-K102 PolarHBondContact O-N 3.15Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.44Å; K102-D105 PolarHBondContact O-N 2.99Å; K102-R106 WeakPolarHBondContact O-CB 3.19Å; K102-R106 PolarHBondContact O-N 3.44Å
103D94.9Very high92Very high38 Ų3864.4 Ų64.420%0.20329%0.294CS..Hα-helixtrans-65.1-43.7177.2-68.5-25.4000111.3F76 A99 L100 K101 D105 R106 F107F76-D103 HydrophobicContact CE1-CB 4.17Å; F76-D103 HydrophobicContact CZ-CB 3.84Å; A99-D103 PolarHBondContact O-N 3.45Å; L100-D103 PolarHBondContact O-N 2.89Å; K101-D103 VanDerWaalsContact C-N 3.34Å; K101-D103 PolarHBondContact O-N 3.2Å; D103-D105 PolarHBondContact O-N 3.35Å; D103-R106 PolarHBondContact O-N 2.78Å; D103-F107 HydrophobicContact CB-CD2 4.19Å; D103-F107 HydrophobicContact CB-CE2 4.43Å; D103-F107 WeakPolarHBondContact O-CB 3.29Å; D103-F107 WeakPolarHBondContact O-CD2 3.21Å; D103-F107 PolarHBondContact O-N 3.48Å
104I95.4Very high91.8Very high0 Ų065.9 Ų65.90%030%0.303CS..Hα-helixtrans-60.4-45.3176.4-68.4162.4000111F76 F82 L84 L100 K101 R106 F107 R108 I115F76-I104 HydrophobicContact CD1-CB 4.44Å; F76-I104 HydrophobicContact CD1-CG1 3.83Å; F76-I104 HydrophobicContact CE1-CG1 3.7Å; F82-I104 HydrophobicContact CB-CD1 4.16Å; F82-I104 HydrophobicContact CD1-CD1 3.77Å; F82-I104 HydrophobicContact CD1-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CD1 4.04Å; F82-I104 HydrophobicContact CD2-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CG2 3.95Å; F82-I104 HydrophobicContact CE1-CD1 4.15Å; F82-I104 HydrophobicContact CE1-CG1 4.29Å; F82-I104 HydrophobicContact CE2-CD1 4.39Å; F82-I104 HydrophobicContact CE2-CG1 4.29Å; F82-I104 HydrophobicContact CE2-CG2 3.85Å; F82-I104 HydrophobicContact CG-CD1 3.72Å; F82-I104 HydrophobicContact CG-CG1 4.46Å; F82-I104 HydrophobicContact CZ-CD1 4.45Å; F82-I104 HydrophobicContact CZ-CG1 4.24Å; L84-I104 HydrophobicContact CD1-CD1 4.37Å; L84-I104 HydrophobicContact CD2-CD1 3.63Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.5Å; L100-I104 PolarHBondContact O-N 2.92Å; K101-I104 PolarHBondContact O-N 3.02Å; I104-R106 VanDerWaalsContact C-N 3.26Å; I104-R106 PolarHBondContact O-N 2.83Å; I104-F107 PolarHBondContact O-N 2.6Å; I104-R108 WeakPolarHBondContact O-CB 3.32Å; I104-R108 WeakPolarHBondContact O-CG 3.12Å; I104-R108 PolarHBondContact O-N 3.35Å; I104-I115 HydrophobicContact CG2-CD1 3.72Å
105D93.9Very high91.8Very high55 Ų5566.1 Ų66.129%0.29431%0.305SS..Hα-helixtrans-62.8-35.8177.9-76.8-16.6000112.7K101 K102 D103 R108K101-D105 VanDerWaalsContact NZ-CG 3.28Å; K101-D105 IonicContact NZ-OD1 2.88Å; K101-D105 PolarHBondContact NZ-OD1 2.8Å; K101-D105 IonicContact NZ-OD2 2.76Å; K101-D105 PolarHBondContact NZ-OD2 3Å; K101-D105 PolarHBondContact O-N 2.91Å; K102-D105 PolarHBondContact O-N 2.99Å; D103-D105 PolarHBondContact O-N 3.35Å; D105-R108 IonicContact OD1-CZ 3.64Å; D105-R108 IonicContact OD1-NH1 2.62Å; D105-R108 PolarHBondContact OD1-NH1 3.25Å
106R93.1Very high91.8Very high179 Ų17961.2 Ų61.268%0.67528%0.284SS*.Hα-helixtrans-74.4-40.9-179.3-177.1-176.8-66.3175.40.3112.5K102 D103 I104K102-R106 WeakPolarHBondContact O-CB 3.19Å; K102-R106 PolarHBondContact O-N 3.44Å; D103-R106 PolarHBondContact O-N 2.78Å; I104-R106 VanDerWaalsContact C-N 3.26Å; I104-R106 PolarHBondContact O-N 2.83Å
107F92.3Very high91.9Very high73 Ų7360 Ų6032%0.3228%0.279SS..Hα-helixtrans-109.7-1.1-167.4-61.7-61.6000114.4F76 D103 I104 D109F76-F107 HydrophobicContact CB-CB 4.02Å; F76-F107 HydrophobicContact CD2-CB 3.53Å; F76-F107 HydrophobicContact CD2-CD2 4.18Å; F76-F107 HydrophobicContact CD2-CG 4.16Å; F76-F107 HydrophobicContact CE2-CB 4.1Å; F76-F107 AromaticContact CE2-CD2 3.85Å; F76-F107 HydrophobicContact CE2-CD2 3.85Å; F76-F107 HydrophobicContact CE2-CG 4.29Å; F76-F107 HydrophobicContact CG-CB 3.81Å; F76-F107 HydrophobicContact CZ-CD2 4.33Å; D103-F107 HydrophobicContact CB-CD2 4.19Å; D103-F107 HydrophobicContact CB-CE2 4.43Å; D103-F107 WeakPolarHBondContact O-CB 3.29Å; D103-F107 WeakPolarHBondContact O-CD2 3.21Å; D103-F107 PolarHBondContact O-N 3.48Å; I104-F107 PolarHBondContact O-N 2.6Å; F107-D109 PolarHBondContact O-N 2.78Å
108R87.9Confident92Very high93 Ų9360 Ų6035%0.35128%0.279SS..  trans-64.5130173.665.8179.4-177.8-126.1-10.6110.8I104 D105 V113I104-R108 WeakPolarHBondContact O-CB 3.32Å; I104-R108 WeakPolarHBondContact O-CG 3.12Å; I104-R108 PolarHBondContact O-N 3.35Å; D105-R108 IonicContact OD1-CZ 3.64Å; D105-R108 IonicContact OD1-NH1 2.62Å; D105-R108 PolarHBondContact OD1-NH1 3.25Å; R108-V113 HydrophobicContact CB-CG2 4.22Å
109D80.4Confident92Very high128 Ų12857.7 Ų57.768%0.68427%0.268SS*.  trans-84-22.9172.2-66.5-26000112S77 F107S77-D109 WeakPolarHBondContact CB-OD2 3.34Å; F107-D109 PolarHBondContact O-N 2.78Å
110K78.3Confident92.1Very high59 Ų5956.1 Ų56.126%0.25726%0.255SS..SBendtrans-85.4135.2-177.9-63.4177.7-172.2168.70110.3S77 F78 A79 D80 E112 V113S77-K110 WeakPolarHBondContact O-CE 3.15Å; F78-K110 PolarHBondContact O-NZ 2.85Å; A79-K110 PolarHBondContact O-NZ 3.1Å; D80-K110 IonicContact OD1-NZ 3.27Å; D80-K110 PolarHBondContact OD1-NZ 3.23Å; K110-E112 VanDerWaalsContact C-N 3.25Å; K110-E112 PolarHBondContact O-N 3.26Å; K110-V113 HydrophobicContact CB-CG2 3.83Å
111K72.3Confident92.1Very high205 Ų20558.2 Ų58.289%0.89126%0.264SS*.SBendtrans-61.9-33.7176.3-71.2-171.8178.3-177.50112.7
112E79.4Confident92.1Very high151 Ų15160.4 Ų60.471%0.70628%0.276SS*.  trans-126.4120.1-179.7-66.9-180167.300109.2K110K110-E112 VanDerWaalsContact C-N 3.25Å; K110-E112 PolarHBondContact O-N 3.26Å
113V91.4Very high92.1Very high20 Ų2059.3 Ų59.312%0.12128%0.275CS..  trans-133.5124.9173.7175.30000107F82 R108 K110 I115F82-V113 HydrophobicContact CD2-CG1 3.51Å; F82-V113 HydrophobicContact CE2-CG1 3.75Å; R108-V113 HydrophobicContact CB-CG2 4.22Å; K110-V113 HydrophobicContact CB-CG2 3.83Å; V113-I115 HydrophobicContact CG1-CG1 4.23Å
114T94.4Very high92.1Very high31 Ų3160.4 Ų60.419%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-81.2128177.3-55.40000109.5G81 F82 L164 K167 M168G81-T114 CarbonylContact C-O 3.6Å; G81-T114 WeakPolarHBondContact CA-O 3.43Å; F82-T114 PolarHBondContact N-O 3.41Å; T114-L164 HydrophobicContact CG2-CD1 3.74Å; T114-K167 HydrophobicContact CG2-CB 3.71Å; T114-M168 HydrophobicContact CG2-CG 4.43Å
115I97.3Very high92.1Very high18 Ų1864.7 Ų64.79%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-122.8128.6178.8-55.1174.9000109F82 L84 K101 I104 V113 V144F82-I115 HydrophobicContact CB-CG1 4.37Å; F82-I115 HydrophobicContact CB-CG2 4.46Å; F82-I115 WeakPolarHBondContact O-CA 3.37Å; L84-I115 HydrophobicContact CD1-CG2 3.97Å; L84-I115 HydrophobicContact CG-CG2 4.01Å; K101-I115 HydrophobicContact CD-CD1 3.72Å; K101-I115 HydrophobicContact CD-CG2 4.49Å; I104-I115 HydrophobicContact CG2-CD1 3.72Å; V113-I115 HydrophobicContact CG1-CG1 4.23Å; I115-V144 HydrophobicContact CB-CG1 4.07Å; I115-V144 HydrophobicContact CG2-CG1 4.11Å
116V98.3Very high92.3Very high2 Ų271.5 Ų71.51%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-118.3141.5170.7164.50000108.8F82 V83 L84 L118 W147 P160 L164F82-V116 PolarHBondContact O-N 3.03Å; V83-V116 CarbonylContact C-O 3.53Å; V83-V116 WeakPolarHBondContact CA-O 3.45Å; L84-V116 PolarHBondContact N-O 3.16Å; V116-L118 HydrophobicContact CG1-CD2 4.01Å; V116-L118 HydrophobicContact CG1-CG 4.46Å; V116-W147 HydrophobicContact CB-CZ3 4.3Å; V116-W147 HydrophobicContact CG1-CE3 3.8Å; V116-W147 HydrophobicContact CG1-CZ3 3.59Å; V116-W147 HydrophobicContact CG2-CZ3 3.92Å; V116-P160 HydrophobicContact CG1-CB 4.06Å; V116-L164 HydrophobicContact CB-CD1 4.33Å; V116-L164 HydrophobicContact CG2-CB 4.06Å; V116-L164 HydrophobicContact CG2-CD1 3.86Å
117V98.9Very high92.5Very high0 Ų068.3 Ų68.30%032%0.323CS..EExtended strand (participates in β ladder)trans-114.4134.9177.1-174.80000109.9L84 Y86 M97 W138 V144 R145 L146 W147L84-V117 HydrophobicContact CB-CG2 4.27Å; L84-V117 HydrophobicContact CD1-CG2 4.35Å; L84-V117 CarbonylContact O-C 3.53Å; L84-V117 WeakPolarHBondContact O-CA 3.3Å; Y86-V117 HydrophobicContact CD1-CG1 4.03Å; Y86-V117 HydrophobicContact CE1-CG1 3.99Å; M97-V117 HydrophobicContact CE-CG1 3.96Å; M97-V117 HydrophobicContact CG-CG1 4.16Å; M97-V117 HydrophobicContact SD-CG1 3.72Å; M97-V117 HydrophobicContact SD-CG2 4.27Å; V117-W138 HydrophobicContact CG1-CZ3 4.3Å; V117-W138 HydrophobicContact CG2-CH2 4.2Å; V117-W138 HydrophobicContact CG2-CZ3 3.99Å; V117-V144 HydrophobicContact CG2-CB 4.31Å; V117-V144 HydrophobicContact CG2-CG2 3.85Å; V117-R145 PolarHBondContact N-O 3.03Å; V117-L146 HydrophobicContact CB-CB 4.18Å; V117-L146 HydrophobicContact CB-CD1 4.3Å; V117-L146 HydrophobicContact CB-CG 4.14Å; V117-L146 HydrophobicContact CG1-CD1 3.84Å; V117-L146 HydrophobicContact CG1-CG 4.03Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.43Å; V117-W147 PolarHBondContact O-N 3.4Å
118L98.9Very high92.8Very high0 Ų067.5 Ų67.50%032%0.318CS..EExtended strand (participates in β ladder)trans-118.8120.8177.5-57.6-178000110V20 V83 L84 V85 Y86 V116 W147 V149 P160 F161V20-L118 HydrophobicContact CG1-CD1 3.96Å; V83-L118 HydrophobicContact CG1-CD1 3.54Å; V83-L118 HydrophobicContact CG1-CG 3.84Å; L84-L118 PolarHBondContact O-N 3.25Å; V85-L118 WeakPolarHBondContact CA-O 3.41Å; V85-L118 HydrophobicContact CG1-CB 4.46Å; V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; Y86-L118 VanDerWaalsContact CD1-O 3.3Å; Y86-L118 WeakPolarHBondContact CD1-O 3.24Å; Y86-L118 PolarHBondContact N-O 3.07Å; V116-L118 HydrophobicContact CG1-CD2 4.01Å; V116-L118 HydrophobicContact CG1-CG 4.46Å; L118-W147 CarbonylContact C-O 3.59Å; L118-W147 WeakPolarHBondContact CA-O 3.29Å; L118-W147 HydrophobicContact CD2-CB 4.37Å; L118-V149 HydrophobicContact CB-CG2 4.14Å; L118-V149 HydrophobicContact CD2-CG1 4.11Å; L118-V149 HydrophobicContact CD2-CG2 4.49Å; L118-P160 HydrophobicContact CD2-CB 3.62Å; L118-P160 HydrophobicContact CD2-CG 3.85Å; L118-F161 HydrophobicContact CD1-CE2 3.82Å; L118-F161 HydrophobicContact CD1-CZ 4.14Å
119G98.8Very high93.3Very high0 Ų068.1 Ų68.10%033%0.328CS..EExtended strand (participates in β ladder)trans-90.188.7164.700000109.6W147 E148 V149G119-W147 PolarHBondContact N-O 3.17Å; G119-E148 CarbonylContact O-C 3.59Å; G119-E148 WeakPolarHBondContact O-CA 3.35Å; G119-V149 PolarHBondContact O-N 3.13Å
120N98.4Very high94.1Very high5 Ų562.4 Ų62.43%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-76.8168.4-175-167.729.5000112.5V15 V85 Y86 S87 I88 V149V15-N120 PolarHBondContact O-ND2 2.91Å; V85-N120 HydrophobicContact CG1-CB 4.01Å; Y86-N120 PolarHBondContact O-N 3.31Å; S87-N120 WeakPolarHBondContact CA-O 3.37Å; I88-N120 PolarHBondContact N-O 3.49Å; N120-V149 CarbonylContact C-O 3.36Å; N120-V149 VanDerWaalsContact CA-O 3.32Å; N120-V149 WeakPolarHBondContact CA-O 3.37Å; N120-V149 HydrophobicContact CB-CG2 4.27Å; N120-V149 PolarHBondContact OD1-O 3.16Å
121K96.8Very high95.1Very high44 Ų4463.5 Ų63.519%0.19131%0.306CS..  trans67.436.5-177.9-44-170-163.9172.40113.4I88 D89 D123 M124 V149I88-K121 VanDerWaalsContact CD1-O 3.26Å; I88-K121 WeakPolarHBondContact CD1-O 3.22Å; I88-K121 VanDerWaalsContact CG1-O 3.27Å; I88-K121 WeakPolarHBondContact CG1-O 3.26Å; D89-K121 IonicContact OD1-NZ 3.43Å; D89-K121 IonicContact OD2-NZ 3.51Å; D89-K121 PolarHBondContact OD2-NZ 3.2Å; K121-D123 WeakPolarHBondContact CA-OD1 3.43Å; K121-D123 PolarHBondContact O-N 3.43Å; K121-M124 HydrophobicContact CB-CB 4.4Å; K121-M124 HydrophobicContact CB-CG 4.21Å; K121-M124 HydrophobicContact CB-SD 4Å; K121-M124 HydrophobicContact CD-CE 4.23Å; K121-M124 HydrophobicContact CD-SD 3.58Å; K121-M124 VanDerWaalsContact CD-SD 3.58Å; K121-M124 HydrophobicContact CG-SD 4.38Å; K121-M124 WeakPolarHBondContact O-CB 3.37Å; K121-M124 PolarHBondContact O-N 3Å; K121-V149 PolarHBondContact N-O 2.67Å
122L97.5Very high96.3Very high52 Ų5255.7 Ų55.727%0.27228%0.278SS..THydrogen-bonded Turntrans-55-22.8176.5-17970.2000113.1M124 Q125 E148 V149L122-M124 VanDerWaalsContact C-N 3.25Å; L122-M124 PolarHBondContact O-N 2.79Å; L122-Q125 WeakPolarHBondContact O-CG 3.33Å; L122-Q125 PolarHBondContact O-NE2 2.72Å; L122-E148 HydrophobicContact CD1-CB 3.71Å; L122-E148 HydrophobicContact CD2-CB 4.46Å; L122-E148 HydrophobicContact CG-CB 4.46Å; L122-V149 VanDerWaalsContact CB-O 3.23Å; L122-V149 WeakPolarHBondContact CB-O 3.32Å; L122-V149 PolarHBondContact N-O 2.87Å
123D95.1Very high97.2Very high92 Ų9256.1 Ų56.149%0.49228%0.28SS..THydrogen-bonded Turntrans-65.7-23172.252.4-69.9000113.9K121 Q125 S150K121-D123 WeakPolarHBondContact CA-OD1 3.43Å; K121-D123 PolarHBondContact O-N 3.43Å; D123-Q125 VanDerWaalsContact C-N 3.3Å; D123-Q125 PolarHBondContact O-N 3.21Å; D123-Q125 VanDerWaalsContact O-N 3.16Å; D123-S150 WeakPolarHBondContact OD1-CB 3.4Å; D123-S150 PolarHBondContact OD1-OG 2.93Å
124M95.2Very high97.5Very high61 Ų6159.3 Ų59.330%0.330%0.299SS..  trans-89.847.5-177.7-61.8-177.2175.100113K121 L122 E126 Q127 R128K121-M124 HydrophobicContact CB-CB 4.4Å; K121-M124 HydrophobicContact CB-CG 4.21Å; K121-M124 HydrophobicContact CB-SD 4Å; K121-M124 HydrophobicContact CD-CE 4.23Å; K121-M124 HydrophobicContact CD-SD 3.58Å; K121-M124 VanDerWaalsContact CD-SD 3.58Å; K121-M124 HydrophobicContact CG-SD 4.38Å; K121-M124 WeakPolarHBondContact O-CB 3.37Å; K121-M124 PolarHBondContact O-N 3Å; L122-M124 VanDerWaalsContact C-N 3.25Å; L122-M124 PolarHBondContact O-N 2.79Å; M124-E126 VanDerWaalsContact C-N 3.28Å; M124-E126 PolarHBondContact O-N 2.81Å; M124-Q127 HydrophobicContact CB-CB 4.37Å; M124-Q127 PolarHBondContact O-N 3Å; M124-Q127 VanDerWaalsContact O-N 3.07Å; M124-R128 PolarHBondContact O-N 3.26Å
125Q96.4Very high97.7Very high90 Ų9057.8 Ų57.842%0.42129%0.29SS..G310 helixtrans-58.7-36.9-176.9-71.1-55.4-52.200113.5L122 D123 Q127 R128L122-Q125 WeakPolarHBondContact O-CG 3.33Å; L122-Q125 PolarHBondContact O-NE2 2.72Å; D123-Q125 VanDerWaalsContact C-N 3.3Å; D123-Q125 PolarHBondContact O-N 3.21Å; D123-Q125 VanDerWaalsContact O-N 3.16Å; Q125-Q127 PolarHBondContact O-N 3.15Å; Q125-R128 WeakPolarHBondContact O-CB 3.38Å; Q125-R128 PolarHBondContact O-N 2.96Å
126E97.1Very high97.7Very high199 Ų19960.9 Ų60.993%0.9330%0.303SS*.G310 helixtrans-67-22179.5-62.3-175.2169.300113.1M124M124-E126 VanDerWaalsContact C-N 3.28Å; M124-E126 PolarHBondContact O-N 2.81Å
127Q97.1Very high97.7Very high111 Ų11166.9 Ų66.952%0.51933%0.331SS..G310 helixtrans-102.77.4-179.3-60.5163.721.900111.7D89 M124 Q125 N129D89-Q127 WeakPolarHBondContact CA-O 3.42Å; D89-Q127 HydrophobicContact CB-CB 4.22Å; M124-Q127 HydrophobicContact CB-CB 4.37Å; M124-Q127 PolarHBondContact O-N 3Å; M124-Q127 VanDerWaalsContact O-N 3.07Å; Q125-Q127 PolarHBondContact O-N 3.15Å; Q127-N129 PolarHBondContact O-N 2.96Å; Q127-N129 PolarHBondContact O-ND2 2.93Å
128R98.3Very high97.7Very high57 Ų5768 Ų6822%0.21534%0.335CS..  trans-58.5123.3-176.7178.7-178-76.1-85.710.2110.7I88 M124 Q125 V130 E148I88-R128 HydrophobicContact CD1-CB 4.42Å; M124-R128 PolarHBondContact O-N 3.26Å; Q125-R128 WeakPolarHBondContact O-CB 3.38Å; Q125-R128 PolarHBondContact O-N 2.96Å; R128-V130 VanDerWaalsContact CD-O 3.29Å; R128-V130 WeakPolarHBondContact CD-O 3.25Å; R128-V130 WeakPolarHBondContact CG-O 3.43Å; R128-V130 PolarHBondContact NH1-O 2.98Å; R128-E148 IonicContact CZ-OE1 3.09Å; R128-E148 IonicContact CZ-OE2 3.5Å; R128-E148 IonicContact NH1-OE1 2.75Å; R128-E148 PolarHBondContact NH1-OE1 2.76Å; R128-E148 IonicContact NH1-OE2 3.18Å; R128-E148 PolarHBondContact NH1-OE2 3.47Å; R128-E148 IonicContact NH2-OE1 3.72Å; R128-E148 PolarHBondContact NH2-OE1 2.55Å; R128-E148 IonicContact NH2-OE2 3.61Å; R128-E148 PolarHBondContact NH2-OE2 2.9Å
129N98.1Very high97.7Very high106 Ų10668 Ų6857%0.56734%0.336SS*.  trans-116.9-3.2174.2-73.4-54.8000113I88 D89 Q127I88-N129 PolarHBondContact O-N 2.8Å; D89-N129 PolarHBondContact O-ND2 2.79Å; Q127-N129 PolarHBondContact O-N 2.96Å; Q127-N129 PolarHBondContact O-ND2 2.93Å
130V98.4Very high97.7Very high7 Ų776.2 Ų76.24%0.04237%0.371CS..SBendtrans-117.9115174-175.10000108.5Y86 I88 F94 R128 A135Y86-V130 HydrophobicContact CD2-CG2 4.35Å; Y86-V130 HydrophobicContact CE2-CB 4.16Å; Y86-V130 HydrophobicContact CE2-CG1 3.88Å; Y86-V130 HydrophobicContact CE2-CG2 4.25Å; I88-V130 PolarHBondContact O-N 2.77Å; F94-V130 HydrophobicContact CB-CG1 4.29Å; F94-V130 HydrophobicContact CB-CG2 3.8Å; F94-V130 HydrophobicContact CD1-CG1 4.48Å; F94-V130 HydrophobicContact CD2-CG1 3.84Å; F94-V130 HydrophobicContact CE2-CG1 4.28Å; F94-V130 HydrophobicContact CG-CG1 3.94Å; F94-V130 HydrophobicContact CG-CG2 4.36Å; R128-V130 VanDerWaalsContact CD-O 3.29Å; R128-V130 WeakPolarHBondContact CD-O 3.25Å; R128-V130 WeakPolarHBondContact CG-O 3.43Å; R128-V130 PolarHBondContact NH1-O 2.98Å; V130-A135 HydrophobicContact CG1-CB 4.14Å
131D98.2Very high97.7Very high83 Ų8380.2 Ų80.244%0.44440%0.396SS..  trans-66.4133.7176.2-177.3-77.8000110.7E133 V134 A135D131-E133 WeakPolarHBondContact OD1-CA 3.46Å; D131-E133 VanDerWaalsContact OD1-CB 3.29Å; D131-E133 WeakPolarHBondContact OD1-CB 3.33Å; D131-E133 PolarHBondContact OD1-N 3.23Å; D131-V134 HydrophobicContact CB-CB 4.05Å; D131-V134 HydrophobicContact CB-CG2 3.82Å; D131-V134 PolarHBondContact O-N 2.86Å; D131-V134 PolarHBondContact OD1-N 2.95Å; D131-A135 PolarHBondContact O-N 2.85Å
132S97.9Very high97.7Very high41 Ų4180.5 Ų80.529%0.28740%0.398SS..Hα-helixtrans-67.4-38.5-175-163.80000111.6A135 Q136 E148S132-A135 PolarHBondContact O-N 2.87Å; S132-Q136 WeakPolarHBondContact O-CB 3.4Å; S132-Q136 VanDerWaalsContact O-CG 3.24Å; S132-Q136 WeakPolarHBondContact O-CG 3.39Å; S132-Q136 PolarHBondContact O-N 2.78Å; S132-E148 PolarHBondContact OG-OE2 2.82Å
133E98.1Very high97.6Very high160 Ų16087.2 Ų87.275%0.74843%0.425SS*.Hα-helixtrans-66.9-40.9178-57.6-173.3171.400111D131 Q136 H137D131-E133 WeakPolarHBondContact OD1-CA 3.46Å; D131-E133 VanDerWaalsContact OD1-CB 3.29Å; D131-E133 WeakPolarHBondContact OD1-CB 3.33Å; D131-E133 PolarHBondContact OD1-N 3.23Å; E133-Q136 PolarHBondContact O-N 3.49Å; E133-H137 VanDerWaalsContact O-CB 3.24Å; E133-H137 WeakPolarHBondContact O-CB 3.26Å; E133-H137 PolarHBondContact O-N 2.72Å
134V97.9Very high97.7Very high86 Ų8683.7 Ų83.752%0.52141%0.407SS..Hα-helixtrans-61.2-47.4175.1174.60000111D131 H137 W138D131-V134 HydrophobicContact CB-CB 4.05Å; D131-V134 HydrophobicContact CB-CG2 3.82Å; D131-V134 PolarHBondContact O-N 2.86Å; D131-V134 PolarHBondContact OD1-N 2.95Å; V134-H137 PolarHBondContact O-N 2.85Å; V134-W138 WeakPolarHBondContact O-CB 2.98Å; V134-W138 PolarHBondContact O-N 3.01Å
135A98.5Very high97.9Very high0 Ų087.7 Ų87.70%042%0.418CS..Hα-helixtrans-63.2-42.9179.100000112.1Y86 F94 V130 D131 S132 W138 A139 L146Y86-A135 WeakPolarHBondContact OH-CB 3.33Å; F94-A135 HydrophobicContact CE2-CB 3.76Å; F94-A135 HydrophobicContact CZ-CB 4.18Å; V130-A135 HydrophobicContact CG1-CB 4.14Å; D131-A135 PolarHBondContact O-N 2.85Å; S132-A135 PolarHBondContact O-N 2.87Å; A135-W138 PolarHBondContact O-N 3.38Å; A135-A139 WeakPolarHBondContact O-CB 3.26Å; A135-A139 PolarHBondContact O-N 2.85Å; A135-L146 HydrophobicContact CB-CD1 4.04Å
136Q98.5Very high98Very high82 Ų8283.9 Ų83.938%0.38340%0.401SS..Hα-helixtrans-67.3-39.1177.2-71.8-65.7-15.700112.4S132 E133 A139 K140 L146S132-Q136 WeakPolarHBondContact O-CB 3.4Å; S132-Q136 VanDerWaalsContact O-CG 3.24Å; S132-Q136 WeakPolarHBondContact O-CG 3.39Å; S132-Q136 PolarHBondContact O-N 2.78Å; E133-Q136 PolarHBondContact O-N 3.49Å; Q136-A139 PolarHBondContact O-N 2.91Å; Q136-K140 WeakPolarHBondContact O-CB 3.46Å; Q136-K140 PolarHBondContact O-N 3.01Å; Q136-L146 PolarHBondContact NE2-O 3.48Å; Q136-L146 VanDerWaalsContact NE2-O 3.15Å
137H98.6Very high98.1Very high128 Ų12876 Ų7659%0.59336%0.363SS*.Hα-helixtrans-62.8-43.7175-175.979.2000111.7E133 V134 K140 T141E133-H137 VanDerWaalsContact O-CB 3.24Å; E133-H137 WeakPolarHBondContact O-CB 3.26Å; E133-H137 PolarHBondContact O-N 2.72Å; V134-H137 PolarHBondContact O-N 2.85Å; H137-K140 PolarHBondContact O-N 2.89Å; H137-T141 PolarHBondContact O-N 2.83Å; H137-T141 PolarHBondContact O-OG1 3.45Å
138W98.6Very high98.1Very high23 Ų2372.3 Ų72.39%0.08735%0.346CS..Hα-helixtrans-58.9-48.8173.117389.2000111.3F94 M97 E98 K101 V117 V134 A135 K140 T141 E142 V144 L146F94-W138 HydrophobicContact CE2-CE3 4.48Å; F94-W138 HydrophobicContact CZ-CB 4.06Å; F94-W138 HydrophobicContact CZ-CD2 4.12Å; F94-W138 HydrophobicContact CZ-CE3 4.3Å; F94-W138 AromaticContact CZ-CG 4Å; F94-W138 HydrophobicContact CZ-CG 4Å; M97-W138 HydrophobicContact CE-CD2 4.43Å; M97-W138 HydrophobicContact CE-CE3 3.95Å; M97-W138 HydrophobicContact CE-CH2 3.66Å; M97-W138 HydrophobicContact CE-CZ2 4.1Å; M97-W138 HydrophobicContact CE-CZ3 3.56Å; M97-W138 HydrophobicContact SD-CH2 3.18Å; M97-W138 WeakPolarHBondContact SD-CH2 3.27Å; M97-W138 HydrophobicContact SD-CZ2 3.8Å; M97-W138 HydrophobicContact SD-CZ3 3.61Å; E98-W138 HydrophobicContact CB-CZ2 4.31Å; E98-W138 HydrophobicContact CG-CD2 4.41Å; E98-W138 HydrophobicContact CG-CZ2 4.1Å; E98-W138 PolarHBondContact OE1-NE1 3.49Å; K101-W138 HydrophobicContact CB-CH2 4.24Å; K101-W138 HydrophobicContact CB-CZ2 4.05Å; K101-W138 HydrophobicContact CG-CH2 4.24Å; K101-W138 HydrophobicContact CG-CZ2 4.09Å; V117-W138 HydrophobicContact CG1-CZ3 4.3Å; V117-W138 HydrophobicContact CG2-CH2 4.2Å; V117-W138 HydrophobicContact CG2-CZ3 3.99Å; V134-W138 WeakPolarHBondContact O-CB 2.98Å; V134-W138 PolarHBondContact O-N 3.01Å; A135-W138 PolarHBondContact O-N 3.38Å; W138-K140 VanDerWaalsContact C-N 3.3Å; W138-K140 PolarHBondContact O-N 3.25Å; W138-T141 WeakPolarHBondContact O-CB 3.47Å; W138-T141 PolarHBondContact O-N 3.3Å; W138-E142 HydrophobicContact CD2-CG 4.12Å; W138-E142 HydrophobicContact CH2-CB 4.46Å; W138-E142 HydrophobicContact CH2-CG 4.32Å; W138-E142 HydrophobicContact CZ2-CB 4.26Å; W138-E142 HydrophobicContact CZ2-CG 3.65Å; W138-E142 PolarHBondContact O-N 2.8Å; W138-V144 HydrophobicContact CH2-CG2 4.09Å; W138-V144 HydrophobicContact CZ3-CG2 3.82Å; W138-L146 HydrophobicContact CE3-CD1 4.43Å
139A98.5Very high98.1Very high1 Ų169.6 Ų69.61%0.00834%0.335CS..Hα-helixtrans-59.6-41.3-17900000112.2A135 Q136 E142 K143 V144 L146A135-A139 WeakPolarHBondContact O-CB 3.26Å; A135-A139 PolarHBondContact O-N 2.85Å; Q136-A139 PolarHBondContact O-N 2.91Å; A139-E142 PolarHBondContact O-N 3.36Å; A139-K143 PolarHBondContact O-N 3.08Å; A139-V144 CarbonylContact C-O 3.59Å; A139-V144 HydrophobicContact CB-CG2 4.14Å; A139-V144 PolarHBondContact O-N 2.54Å; A139-V144 VanDerWaalsContact O-O 3.1Å; A139-L146 HydrophobicContact CB-CB 3.54Å; A139-L146 HydrophobicContact CB-CD1 4.07Å; A139-L146 HydrophobicContact CB-CG 4.48Å
140K98.3Very high98.1Very high173 Ų17364.9 Ų64.975%0.75231%0.31SS*.Hα-helixtrans-61.4-43174.3-175.2179.3179.5-179.30112.1Q136 H137 W138 K143Q136-K140 WeakPolarHBondContact O-CB 3.46Å; Q136-K140 PolarHBondContact O-N 3.01Å; H137-K140 PolarHBondContact O-N 2.89Å; W138-K140 VanDerWaalsContact C-N 3.3Å; W138-K140 PolarHBondContact O-N 3.25Å; K140-K143 PolarHBondContact O-N 3.36Å
141T98.1Very high97.9Very high88 Ų8865.1 Ų65.154%0.5431%0.312SS..Hα-helixtrans-65-43.4179-59.50000111.4H137 W138 K143H137-T141 PolarHBondContact O-N 2.83Å; H137-T141 PolarHBondContact O-OG1 3.45Å; W138-T141 WeakPolarHBondContact O-CB 3.47Å; W138-T141 PolarHBondContact O-N 3.3Å; T141-K143 PolarHBondContact O-N 3.33Å
142E97.3Very high97.6Very high50 Ų5064 Ų6423%0.23431%0.314CS..THydrogen-bonded Turntrans-78.1-2.3178.1-71.3-65.2146.400114K101 W138 A139 V144K101-E142 IonicContact NZ-OE2 2.8Å; K101-E142 PolarHBondContact NZ-OE2 3.04Å; W138-E142 HydrophobicContact CD2-CG 4.12Å; W138-E142 HydrophobicContact CH2-CB 4.46Å; W138-E142 HydrophobicContact CH2-CG 4.32Å; W138-E142 HydrophobicContact CZ2-CB 4.26Å; W138-E142 HydrophobicContact CZ2-CG 3.65Å; W138-E142 PolarHBondContact O-N 2.8Å; A139-E142 PolarHBondContact O-N 3.36Å; E142-V144 HydrophobicContact CB-CG2 4.02Å; E142-V144 PolarHBondContact O-N 2.73Å
143K96.3Very high97.4Very high194 Ų19464.4 Ų64.484%0.84331%0.313SS*.THydrogen-bonded Turntrans55.736.7-178.6-55.6176.4-176.5173.90113A139 K140 T141A139-K143 PolarHBondContact O-N 3.08Å; K140-K143 PolarHBondContact O-N 3.36Å; T141-K143 PolarHBondContact O-N 3.33Å
144V97.3Very high97.3Very high18 Ų1861.6 Ų61.611%0.10930%0.296CS..  trans-112.9158174-65.20000110.3K101 I115 V117 W138 A139 E142K101-V144 HydrophobicContact CD-CG1 4.31Å; K101-V144 VanDerWaalsContact CE-CG1 3.41Å; I115-V144 HydrophobicContact CB-CG1 4.07Å; I115-V144 HydrophobicContact CG2-CG1 4.11Å; V117-V144 HydrophobicContact CG2-CB 4.31Å; V117-V144 HydrophobicContact CG2-CG2 3.85Å; W138-V144 HydrophobicContact CH2-CG2 4.09Å; W138-V144 HydrophobicContact CZ3-CG2 3.82Å; A139-V144 CarbonylContact C-O 3.59Å; A139-V144 HydrophobicContact CB-CG2 4.14Å; A139-V144 PolarHBondContact O-N 2.54Å; A139-V144 VanDerWaalsContact O-O 3.1Å; E142-V144 HydrophobicContact CB-CG2 4.02Å; E142-V144 PolarHBondContact O-N 2.73Å
145R98.1Very high97.2Very high144 Ų14466.6 Ų66.654%0.54331%0.305SS..EExtended strand (participates in β ladder)trans-93.3133.7172.3-68.3-118.3-179.5-177.60.5109.9V117 W147V117-R145 PolarHBondContact N-O 3.03Å; R145-W147 HydrophobicContact CB-CE3 4.08Å; R145-W147 HydrophobicContact CB-CH2 3.29Å; R145-W147 HydrophobicContact CB-CZ2 4.16Å; R145-W147 HydrophobicContact CB-CZ3 3.23Å; R145-W147 HydrophobicContact CG-CH2 3.95Å; R145-W147 HydrophobicContact CG-CZ3 4.36Å
146L98.7Very high97.1Very high10 Ų1068.4 Ų68.45%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-121.7128.9178.7-173.7156.5000109.8Y86 V117 A135 Q136 W138 A139 E148Y86-L146 HydrophobicContact CE1-CD1 3.86Å; Y86-L146 HydrophobicContact CE1-CG 4.38Å; V117-L146 HydrophobicContact CB-CB 4.18Å; V117-L146 HydrophobicContact CB-CD1 4.3Å; V117-L146 HydrophobicContact CB-CG 4.14Å; V117-L146 HydrophobicContact CG1-CD1 3.84Å; V117-L146 HydrophobicContact CG1-CG 4.03Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.43Å; A135-L146 HydrophobicContact CB-CD1 4.04Å; Q136-L146 PolarHBondContact NE2-O 3.48Å; Q136-L146 VanDerWaalsContact NE2-O 3.15Å; W138-L146 HydrophobicContact CE3-CD1 4.43Å; A139-L146 HydrophobicContact CB-CB 3.54Å; A139-L146 HydrophobicContact CB-CD1 4.07Å; A139-L146 HydrophobicContact CB-CG 4.48Å; L146-E148 HydrophobicContact CD2-CG 4.11Å
147W98.8Very high97Very high35 Ų3564.5 Ų64.513%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-118.4133.5169.1-67.1-99.8000109.4V116 V117 L118 G119 R145 V149 E159 P160 H163V116-W147 HydrophobicContact CB-CZ3 4.3Å; V116-W147 HydrophobicContact CG1-CE3 3.8Å; V116-W147 HydrophobicContact CG1-CZ3 3.59Å; V116-W147 HydrophobicContact CG2-CZ3 3.92Å; V117-W147 PolarHBondContact O-N 3.4Å; L118-W147 CarbonylContact C-O 3.59Å; L118-W147 WeakPolarHBondContact CA-O 3.29Å; L118-W147 HydrophobicContact CD2-CB 4.37Å; G119-W147 PolarHBondContact N-O 3.17Å; R145-W147 HydrophobicContact CB-CE3 4.08Å; R145-W147 HydrophobicContact CB-CH2 3.29Å; R145-W147 HydrophobicContact CB-CZ2 4.16Å; R145-W147 HydrophobicContact CB-CZ3 3.23Å; R145-W147 HydrophobicContact CG-CH2 3.95Å; R145-W147 HydrophobicContact CG-CZ3 4.36Å; W147-V149 HydrophobicContact CB-CG1 3.95Å; W147-E159 PolarHBondContact NE1-OE1 2.89Å; W147-P160 HydrophobicContact CB-CG 3.76Å; W147-P160 HydrophobicContact CD2-CB 3.91Å; W147-P160 HydrophobicContact CD2-CG 3.78Å; W147-P160 HydrophobicContact CE3-CB 3.75Å; W147-P160 HydrophobicContact CE3-CG 4.11Å; W147-P160 HydrophobicContact CG-CB 4.28Å; W147-P160 HydrophobicContact CG-CG 3.63Å; W147-P160 HydrophobicContact CZ3-CB 4.2Å; W147-H163 HydrophobicContact CH2-CB 3.81Å; W147-H163 AromaticContact CH2-CD2 3.63Å; W147-H163 AromaticContact CH2-CG 3.61Å; W147-H163 HydrophobicContact CZ2-CB 4.14Å
148E98.6Very high96.9Very high33 Ų3361.8 Ų61.815%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-83.6129.7163.3-60.7-166.3137.500108.3I88 G119 L122 R128 S132 L146I88-E148 HydrophobicContact CG2-CG 4.48Å; G119-E148 CarbonylContact O-C 3.59Å; G119-E148 WeakPolarHBondContact O-CA 3.35Å; L122-E148 HydrophobicContact CD1-CB 3.71Å; L122-E148 HydrophobicContact CD2-CB 4.46Å; L122-E148 HydrophobicContact CG-CB 4.46Å; R128-E148 IonicContact CZ-OE1 3.09Å; R128-E148 IonicContact CZ-OE2 3.5Å; R128-E148 IonicContact NH1-OE1 2.75Å; R128-E148 PolarHBondContact NH1-OE1 2.76Å; R128-E148 IonicContact NH1-OE2 3.18Å; R128-E148 PolarHBondContact NH1-OE2 3.47Å; R128-E148 IonicContact NH2-OE1 3.72Å; R128-E148 PolarHBondContact NH2-OE1 2.55Å; R128-E148 IonicContact NH2-OE2 3.61Å; R128-E148 PolarHBondContact NH2-OE2 2.9Å; S132-E148 PolarHBondContact OG-OE2 2.82Å; L146-E148 HydrophobicContact CD2-CG 4.11Å
149V98.5Very high96.8Very high0 Ų066.3 Ų66.30%031%0.309CS..  trans-135.3159.2-170.3-58.80000110.6L118 G119 N120 K121 L122 W147 T156 L157 P160L118-V149 HydrophobicContact CB-CG2 4.14Å; L118-V149 HydrophobicContact CD2-CG1 4.11Å; L118-V149 HydrophobicContact CD2-CG2 4.49Å; G119-V149 PolarHBondContact O-N 3.13Å; N120-V149 CarbonylContact C-O 3.36Å; N120-V149 VanDerWaalsContact CA-O 3.32Å; N120-V149 WeakPolarHBondContact CA-O 3.37Å; N120-V149 HydrophobicContact CB-CG2 4.27Å; N120-V149 PolarHBondContact OD1-O 3.16Å; K121-V149 PolarHBondContact N-O 2.67Å; L122-V149 VanDerWaalsContact CB-O 3.23Å; L122-V149 WeakPolarHBondContact CB-O 3.32Å; L122-V149 PolarHBondContact N-O 2.87Å; W147-V149 HydrophobicContact CB-CG1 3.95Å; V149-T156 VanDerWaalsContact CG1-O 3.29Å; V149-T156 WeakPolarHBondContact CG1-O 3.18Å; V149-L157 HydrophobicContact CB-CD2 3.74Å; V149-L157 HydrophobicContact CG1-CD2 4.29Å; V149-L157 HydrophobicContact CG2-CD2 3.72Å; V149-P160 HydrophobicContact CG1-CG 4.17Å
150S96.7Very high96.8Very high6 Ų666.3 Ų66.34%0.04231%0.309CS..BIsolated β-bridgetrans-130.3131.8170.6174.80000109.4D123 A152 D153 T156D123-S150 WeakPolarHBondContact OD1-CB 3.4Å; D123-S150 PolarHBondContact OD1-OG 2.93Å; S150-A152 PolarHBondContact O-N 3.02Å; S150-A152 WeakPolarHBondContact OG-CB 3.49Å; S150-A152 PolarHBondContact OG-N 2.87Å; S150-D153 CarbonylContact O-C 3.16Å; S150-D153 PolarHBondContact O-N 3.34Å; S150-T156 PolarHBondContact N-OG1 3.44Å; S150-T156 PolarHBondContact O-OG1 2.98Å
151V94.6Very high96.7Very high13 Ų1358.2 Ų58.28%0.07927%0.274CS..THydrogen-bonded Turntrans-62.7-28.6169.7-178.30000111.1A19 V20 Q23 H29 D153A19-V151 HydrophobicContact CB-CG1 4.17Å; A19-V151 HydrophobicContact CB-CG2 4.06Å; V20-V151 HydrophobicContact CG2-CG2 3.73Å; Q23-V151 HydrophobicContact CB-CG1 3.61Å; Q23-V151 HydrophobicContact CG-CG1 3.8Å; Q23-V151 WeakPolarHBondContact CG-O 3.47Å; Q23-V151 PolarHBondContact NE2-O 3.2Å; H29-V151 HydrophobicContact CB-CG1 3.91Å; H29-V151 WeakPolarHBondContact CD2-CG1 3.23Å; V151-D153 PolarHBondContact O-N 3.3Å
152A92.4Very high96.7Very high60 Ų6055.7 Ų55.750%0.49626%0.258SS..THydrogen-bonded Turntrans-67.2-24.4173.900000112.6A31 S150A31-A152 HydrophobicContact CB-CB 4.27Å; S150-A152 PolarHBondContact O-N 3.02Å; S150-A152 WeakPolarHBondContact OG-CB 3.49Å; S150-A152 PolarHBondContact OG-N 2.87Å
153D94.3Very high96.6Very high49 Ų4955.4 Ų55.426%0.26226%0.257SS..BIsolated β-bridgetrans-118.288171.9-171.3-6.7000111.5S150 V151 R155 T156S150-D153 CarbonylContact O-C 3.16Å; S150-D153 PolarHBondContact O-N 3.34Å; V151-D153 PolarHBondContact O-N 3.3Å; D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 VanDerWaalsContact OD1-CB 3.3Å; D153-R155 WeakPolarHBondContact OD1-CB 3.23Å; D153-R155 WeakPolarHBondContact OD1-CG 3.44Å; D153-R155 IonicContact OD1-CZ 3.62Å; D153-R155 PolarHBondContact OD1-N 3.27Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 3.45Å; D153-R155 PolarHBondContact OD1-NE 3.05Å; D153-R155 IonicContact OD1-NH2 2.72Å; D153-R155 IonicContact OD2-CZ 3.51Å; D153-R155 IonicContact OD2-NE 3.92Å; D153-R155 PolarHBondContact OD2-NE 2.91Å; D153-R155 IonicContact OD2-NH2 3.48Å; D153-R155 PolarHBondContact OD2-NH2 3.06Å; D153-T156 HydrophobicContact CB-CG2 4.03Å; D153-T156 WeakPolarHBondContact O-CB 3.38Å; D153-T156 PolarHBondContact O-N 3.34Å; D153-T156 PolarHBondContact O-OG1 2.71Å
154R94.2Very high96.5Very high101 Ų10146.3 Ų46.338%0.38122%0.217SC..G310 helixtrans-49.9-29179.3-176.3176.5179.5-125.3-1.9113.7Q23 L24 T156 L157Q23-R154 HydrophobicContact CG-CB 4.06Å; Q23-R154 HydrophobicContact CG-CG 4.21Å; Q23-R154 VanDerWaalsContact O-CD 3.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.27Å; Q23-R154 PolarHBondContact O-NE 2.89Å; L24-R154 PolarHBondContact O-NE 3.27Å; L24-R154 PolarHBondContact O-NH2 2.87Å; R154-T156 PolarHBondContact O-N 3.07Å; R154-L157 WeakPolarHBondContact O-CB 3.33Å; R154-L157 PolarHBondContact O-N 3.16Å
155R95.7Very high96.4Very high191 Ų19145.5 Ų45.572%0.72121%0.213SC*.G310 helixtrans-61.8-33.8-178.9-60.2171.4-65179.64.5111.6D153 L157 I158D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 VanDerWaalsContact OD1-CB 3.3Å; D153-R155 WeakPolarHBondContact OD1-CB 3.23Å; D153-R155 WeakPolarHBondContact OD1-CG 3.44Å; D153-R155 IonicContact OD1-CZ 3.62Å; D153-R155 PolarHBondContact OD1-N 3.27Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 3.45Å; D153-R155 PolarHBondContact OD1-NE 3.05Å; D153-R155 IonicContact OD1-NH2 2.72Å; D153-R155 IonicContact OD2-CZ 3.51Å; D153-R155 IonicContact OD2-NE 3.92Å; D153-R155 PolarHBondContact OD2-NE 2.91Å; D153-R155 IonicContact OD2-NH2 3.48Å; D153-R155 PolarHBondContact OD2-NH2 3.06Å; R155-L157 PolarHBondContact O-N 2.97Å; R155-I158 PolarHBondContact O-N 2.71Å
156T97.1Very high96.1Very high37 Ų3738.9 Ų38.923%0.22719%0.188CC..G310 helixtrans-65.2-22.8177.368.20000112.8V149 S150 D153 R154 P160V149-T156 VanDerWaalsContact CG1-O 3.29Å; V149-T156 WeakPolarHBondContact CG1-O 3.18Å; S150-T156 PolarHBondContact N-OG1 3.44Å; S150-T156 PolarHBondContact O-OG1 2.98Å; D153-T156 HydrophobicContact CB-CG2 4.03Å; D153-T156 WeakPolarHBondContact O-CB 3.38Å; D153-T156 PolarHBondContact O-N 3.34Å; D153-T156 PolarHBondContact O-OG1 2.71Å; R154-T156 PolarHBondContact O-N 3.07Å; T156-P160 WeakPolarHBondContact O-CD 3.44Å
157L97.3Very high95.8Very high0 Ų043 Ų430%021%0.206CC..G310 helixtrans-84.3-15.3180-54.8176.6000113.2V20 Q23 L24 V149 R154 R155 F161V20-L157 HydrophobicContact CG1-CD2 4.16Å; V20-L157 HydrophobicContact CG2-CD2 4.14Å; Q23-L157 HydrophobicContact CB-CD1 3.88Å; Q23-L157 HydrophobicContact CG-CD1 3.78Å; L24-L157 HydrophobicContact CD1-CB 4.09Å; V149-L157 HydrophobicContact CB-CD2 3.74Å; V149-L157 HydrophobicContact CG1-CD2 4.29Å; V149-L157 HydrophobicContact CG2-CD2 3.72Å; R154-L157 WeakPolarHBondContact O-CB 3.33Å; R154-L157 PolarHBondContact O-N 3.16Å; R155-L157 PolarHBondContact O-N 2.97Å; L157-F161 WeakPolarHBondContact O-CD2 3.32Å
158I96Very high95.4Very high71 Ų7143 Ų4336%0.36421%0.208SC..Hα-helixtrans-72.8-55.4-171.6-56.4-56.3000111.4L24 R155 F161 V162L24-I158 HydrophobicContact CD1-CD1 3.93Å; R155-I158 PolarHBondContact O-N 2.71Å; I158-F161 PolarHBondContact O-N 3.16Å; I158-V162 HydrophobicContact CG2-CG2 4.01Å; I158-V162 WeakPolarHBondContact O-CG2 3.41Å; I158-V162 PolarHBondContact O-N 3.03Å
159E97Very high94.8Very high119 Ų11942.8 Ų42.856%0.55621%0.209SC*.Hα-helixtrans-57.6-44.6-174.4-169.2-169.8157.900114.2W147 F161 V162 H163W147-E159 PolarHBondContact NE1-OE1 2.89Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 3.26Å; E159-V162 PolarHBondContact O-N 3.27Å; E159-H163 WeakPolarHBondContact O-CB 3.32Å; E159-H163 PolarHBondContact O-N 3.32Å
160P97.9Very high93.7Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-59.3-39.4179.9-21.230.4000113V116 L118 W147 V149 T156 L164V116-P160 HydrophobicContact CG1-CB 4.06Å; L118-P160 HydrophobicContact CD2-CB 3.62Å; L118-P160 HydrophobicContact CD2-CG 3.85Å; W147-P160 HydrophobicContact CB-CG 3.76Å; W147-P160 HydrophobicContact CD2-CB 3.91Å; W147-P160 HydrophobicContact CD2-CG 3.78Å; W147-P160 HydrophobicContact CE3-CB 3.75Å; W147-P160 HydrophobicContact CE3-CG 4.11Å; W147-P160 HydrophobicContact CG-CB 4.28Å; W147-P160 HydrophobicContact CG-CG 3.63Å; W147-P160 HydrophobicContact CZ3-CB 4.2Å; V149-P160 HydrophobicContact CG1-CG 4.17Å; T156-P160 WeakPolarHBondContact O-CD 3.44Å; P160-L164 WeakPolarHBondContact O-CB 3.26Å; P160-L164 PolarHBondContact O-N 2.86Å
161F97.1Very high92.1Very high3 Ų352.1 Ų52.11%0.01326%0.261CS..Hα-helixtrans-81.4-33.4-176.9-75.8-97.1000112.4V20 L21 L24 I47 F59 V83 L118 L157 I158 E159 H163 L164 A165V20-F161 HydrophobicContact CG1-CE2 3.79Å; V20-F161 HydrophobicContact CG1-CZ 3.65Å; L21-F161 HydrophobicContact CD2-CE1 4.17Å; L21-F161 HydrophobicContact CD2-CZ 4.43Å; L24-F161 HydrophobicContact CD1-CB 4.44Å; L24-F161 HydrophobicContact CD1-CD2 4.32Å; L24-F161 HydrophobicContact CD1-CG 4.41Å; L24-F161 HydrophobicContact CD2-CB 3.91Å; L24-F161 HydrophobicContact CD2-CD1 3.33Å; L24-F161 HydrophobicContact CD2-CD2 3.68Å; L24-F161 HydrophobicContact CD2-CE1 3.6Å; L24-F161 HydrophobicContact CD2-CE2 3.9Å; L24-F161 HydrophobicContact CD2-CG 3.35Å; L24-F161 HydrophobicContact CD2-CZ 3.86Å; I47-F161 HydrophobicContact CD1-CB 4.02Å; I47-F161 HydrophobicContact CD1-CD1 4.48Å; F59-F161 HydrophobicContact CD1-CE1 4.2Å; F59-F161 AromaticContact CE1-CD1 3.64Å; F59-F161 HydrophobicContact CE1-CD1 3.64Å; F59-F161 AromaticContact CE1-CE1 3.57Å; F59-F161 HydrophobicContact CE1-CE1 3.57Å; F59-F161 AromaticContact CZ-CD1 3.72Å; F59-F161 HydrophobicContact CZ-CD1 3.72Å; F59-F161 AromaticContact CZ-CE1 4Å; F59-F161 HydrophobicContact CZ-CE1 4Å; V83-F161 HydrophobicContact CG1-CZ 4.48Å; V83-F161 HydrophobicContact CG2-CE1 4.26Å; L118-F161 HydrophobicContact CD1-CE2 3.82Å; L118-F161 HydrophobicContact CD1-CZ 4.14Å; L157-F161 WeakPolarHBondContact O-CD2 3.32Å; I158-F161 PolarHBondContact O-N 3.16Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 3.26Å; F161-H163 VanDerWaalsContact C-N 3.35Å; F161-L164 PolarHBondContact O-N 3.39Å; F161-A165 WeakPolarHBondContact O-CB 3.41Å; F161-A165 PolarHBondContact O-N 3.33Å
162V96.1Very high90.2Very high35 Ų3559 Ų5921%0.21229%0.292CS..Hα-helixtrans-60.3-47.2167.4172.60000110I47 I158 E159 L164 A165 S166I47-V162 HydrophobicContact CG2-CG2 4.12Å; I158-V162 HydrophobicContact CG2-CG2 4.01Å; I158-V162 WeakPolarHBondContact O-CG2 3.41Å; I158-V162 PolarHBondContact O-N 3.03Å; E159-V162 PolarHBondContact O-N 3.27Å; V162-L164 PolarHBondContact O-N 2.57Å; V162-A165 PolarHBondContact O-N 3.29Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 3.18Å; V162-S166 PolarHBondContact O-OG 3.09Å
163H95.8Very high88.2Confident45 Ų4561.4 Ų61.421%0.20831%0.305CS..Hα-helixtrans-58.2-47.3176.7-178.988.8000112.3W147 E159 F161 S166 K167W147-H163 HydrophobicContact CH2-CB 3.81Å; W147-H163 AromaticContact CH2-CD2 3.63Å; W147-H163 AromaticContact CH2-CG 3.61Å; W147-H163 HydrophobicContact CZ2-CB 4.14Å; E159-H163 WeakPolarHBondContact O-CB 3.32Å; E159-H163 PolarHBondContact O-N 3.32Å; F161-H163 VanDerWaalsContact C-N 3.35Å; H163-S166 PolarHBondContact O-N 3.45Å; H163-K167 WeakPolarHBondContact O-CB 3.49Å; H163-K167 WeakPolarHBondContact O-CG 3.34Å; H163-K167 PolarHBondContact O-N 2.84Å
164L95.5Very high85.8Confident2 Ų268.5 Ų68.51%0.0133%0.334CS..Hα-helixtrans-56.4-52.6177.8-177.372000111.1V7 F59 V83 T114 V116 P160 F161 V162 K167 M168V7-L164 HydrophobicContact CB-CD2 4.46Å; V7-L164 HydrophobicContact CG1-CD2 3.83Å; V7-L164 HydrophobicContact CG2-CD2 3.82Å; V7-L164 HydrophobicContact CG2-CG 4.47Å; F59-L164 HydrophobicContact CE1-CD2 4.36Å; V83-L164 HydrophobicContact CG2-CD2 3.64Å; T114-L164 HydrophobicContact CG2-CD1 3.74Å; V116-L164 HydrophobicContact CB-CD1 4.33Å; V116-L164 HydrophobicContact CG2-CB 4.06Å; V116-L164 HydrophobicContact CG2-CD1 3.86Å; P160-L164 WeakPolarHBondContact O-CB 3.26Å; P160-L164 PolarHBondContact O-N 2.86Å; F161-L164 PolarHBondContact O-N 3.39Å; V162-L164 PolarHBondContact O-N 2.57Å; L164-K167 PolarHBondContact O-N 3.44Å; L164-M168 HydrophobicContact CD1-SD 4.32Å; L164-M168 HydrophobicContact CD2-CE 4.37Å; L164-M168 HydrophobicContact CG-CE 3.85Å; L164-M168 HydrophobicContact CG-SD 4.25Å; L164-M168 WeakPolarHBondContact O-CG 3.49Å; L164-M168 PolarHBondContact O-N 3.24Å; L164-M168 VanDerWaalsContact O-N 3.07Å
165A93.9Very high83.6Confident1 Ų168.1 Ų68.11%0.00835%0.347CS..Hα-helixtrans-60.4-49.1179.800000111.6I47 T49 V57 F161 V162 K167 M168 T169I47-A165 HydrophobicContact CB-CB 4.06Å; I47-A165 HydrophobicContact CD1-CB 4.44Å; I47-A165 HydrophobicContact CG2-CB 3.74Å; T49-A165 HydrophobicContact CG2-CB 4.11Å; V57-A165 HydrophobicContact CG2-CB 4.44Å; F161-A165 WeakPolarHBondContact O-CB 3.41Å; F161-A165 PolarHBondContact O-N 3.33Å; V162-A165 PolarHBondContact O-N 3.29Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 2.94Å; A165-M168 PolarHBondContact O-N 3.38Å; A165-T169 PolarHBondContact O-N 3.02Å; A165-T169 VanDerWaalsContact O-N 3.16Å; A165-T169 PolarHBondContact O-OG1 3.21Å
166S92.6Very high81.4Confident5 Ų564.1 Ų64.14%0.03535%0.348CS..Hα-helixtrans-57.8-41.3178.6-70.70000112.4T49 D50 R51 V162 H163 Q170T49-S166 VanDerWaalsContact CB-OG 3.24Å; T49-S166 WeakPolarHBondContact CB-OG 3.46Å; D50-S166 WeakPolarHBondContact OD1-CB 3.13Å; D50-S166 PolarHBondContact OD1-OG 3.43Å; R51-S166 PolarHBondContact NH2-O 2.99Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 3.18Å; V162-S166 PolarHBondContact O-OG 3.09Å; H163-S166 PolarHBondContact O-N 3.45Å; S166-Q170 WeakPolarHBondContact O-CG 3.33Å; S166-Q170 PolarHBondContact O-N 2.99Å
167K92.2Very high79.5Confident96 Ų9671 Ų7142%0.41738%0.375SS..Hα-helixtrans-69.8-39.3179.6-79.2-73.6174.6-175.90113.1T114 H163 L164 A165 T169T114-K167 HydrophobicContact CG2-CB 3.71Å; H163-K167 WeakPolarHBondContact O-CB 3.49Å; H163-K167 WeakPolarHBondContact O-CG 3.34Å; H163-K167 PolarHBondContact O-N 2.84Å; L164-K167 PolarHBondContact O-N 3.44Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 2.94Å; K167-T169 VanDerWaalsContact C-N 3.29Å; K167-T169 PolarHBondContact O-N 2.98Å
168M90.2Very high77.3Confident36 Ų3676.8 Ų76.818%0.17741%0.412CS..Hα-helixtrans-70.4-25.2179.4-68.8-177.2-53.400113.2C5 V7 V57 T114 L164 A165C5-M168 HydrophobicContact CB-CE 3.76Å; C5-M168 HydrophobicContact CB-SD 4.12Å; V7-M168 HydrophobicContact CG2-CE 3.63Å; V7-M168 HydrophobicContact CG2-SD 3.68Å; V57-M168 HydrophobicContact CG1-CE 4.37Å; V57-M168 HydrophobicContact CG2-CE 4.34Å; T114-M168 HydrophobicContact CG2-CG 4.43Å; L164-M168 HydrophobicContact CD1-SD 4.32Å; L164-M168 HydrophobicContact CD2-CE 4.37Å; L164-M168 HydrophobicContact CG-CE 3.85Å; L164-M168 HydrophobicContact CG-SD 4.25Å; L164-M168 WeakPolarHBondContact O-CG 3.49Å; L164-M168 PolarHBondContact O-N 3.24Å; L164-M168 VanDerWaalsContact O-N 3.07Å; A165-M168 PolarHBondContact O-N 3.38Å
169T84.8Confident75.3Confident28 Ų2881.5 Ų81.517%0.17244%0.438CS..THydrogen-bonded Turntrans-113.420.6-177.176.70000113.5R51 E55 A165 K167 P171R51-T169 PolarHBondContact NH1-O 2.95Å; R51-T169 PolarHBondContact NH2-O 3.36Å; R51-T169 PolarHBondContact NH2-OG1 3.05Å; E55-T169 HydrophobicContact CB-CG2 4.4Å; E55-T169 VanDerWaalsContact CD-CG2 3.44Å; E55-T169 HydrophobicContact CG-CG2 3.81Å; E55-T169 WeakPolarHBondContact OE1-CB 3.3Å; E55-T169 PolarHBondContact OE1-OG1 3.34Å; A165-T169 PolarHBondContact O-N 3.02Å; A165-T169 VanDerWaalsContact O-N 3.16Å; A165-T169 PolarHBondContact O-OG1 3.21Å; K167-T169 VanDerWaalsContact C-N 3.29Å; K167-T169 PolarHBondContact O-N 2.98Å; T169-P171 WeakPolarHBondContact O-CD 3.29Å
170Q76.3Confident73.2Confident98 Ų9881.1 Ų81.146%0.45845%0.448SS..PPolyproline II helixtrans-63.3120.8168.1-93.3167.731.800109S166 Q172S166-Q170 WeakPolarHBondContact O-CG 3.33Å; S166-Q170 PolarHBondContact O-N 2.99Å; Q170-Q172 PolarHBondContact O-N 2.97Å; Q170-Q172 VanDerWaalsContact O-N 3.15Å
171P64Low71Confident105 Ų10591.9 Ų91.968%0.68249%0.489SS*.PPolyproline II helixtrans-60.5123.1174.119.9-27.5000108.1T169 S173T169-P171 WeakPolarHBondContact O-CD 3.29Å; P171-S173 PolarHBondContact O-N 3.38Å; P171-S173 VanDerWaalsContact O-N 3.14Å
172Q54.3Low68.6Low156 Ų15698.6 Ų98.673%0.72953%0.525SS*.PPolyproline II helixtrans-52.5126168-69.4-161-23.200106.9Q170 K174Q170-Q172 PolarHBondContact O-N 2.97Å; Q170-Q172 VanDerWaalsContact O-N 3.15Å; Q172-K174 PolarHBondContact O-N 2.86Å
173S49.5Very low66.3Low111 Ų111105.8 Ų105.878%0.77655%0.553SS**  trans-50.2115.8179.160.70000107.1P171 S175P171-S173 PolarHBondContact O-N 3.38Å; P171-S173 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact O-N 2.75Å
174K45.2Very low63.8Low199 Ų199111.2 Ų111.287%0.86558%0.584SS**  trans-51.5115.4169.1-70.1-177.1178.9179.80104.8Q172 S176Q172-K174 PolarHBondContact O-N 2.86Å; K174-S176 VanDerWaalsContact C-N 3.29Å; K174-S176 PolarHBondContact O-N 2.85Å
175S48Very low61.7Low93 Ų93120.7 Ų120.765%0.6563%0.625SS**  trans-54.7103.5169.257.30000105.7S173 F177S173-S175 PolarHBondContact O-N 2.75Å; S175-F177 PolarHBondContact O-N 3.43Å
176S49.1Very low59.1Low107 Ų107124.4 Ų124.475%0.74866%0.663SS**  trans-66.5112.3170.661.40000104.9K174 P178K174-S176 VanDerWaalsContact C-N 3.29Å; K174-S176 PolarHBondContact O-N 2.85Å; S176-P178 WeakPolarHBondContact O-CD 3.47Å
177F56.1Low57.1Low181 Ų181130.1 Ų130.179%0.79470%0.703SS**  trans-52.3126.2165.2-75.6-85.4000107.2S175 L179S175-F177 PolarHBondContact O-N 3.43Å; F177-L179 PolarHBondContact O-N 3.12Å
178P52.2Low54.6Low121 Ų121129.3 Ų129.379%0.78672%0.722SS**  trans-63.7108.9173.223.9-29.2000107.1S176 S180S176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-S180 PolarHBondContact O-N 3.04Å
179L52.8Low52.5Low171 Ų171133 Ų13390%0.89575%0.751SS**  trans-61.6106.6169-78.8162.7000106.9F177 R181F177-L179 PolarHBondContact O-N 3.12Å; L179-R181 PolarHBondContact O-N 3.24Å; L179-R181 VanDerWaalsContact O-N 3.08Å
180S54.6Low50.9Low110 Ų110138.6 Ų138.677%0.76979%0.785SS**  trans-59.2114.6172.3-173.40000108.4P178 N182P178-S180 PolarHBondContact O-N 3.04Å; S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.07Å
181R50.3Low49.6Very low226 Ų226140.8 Ų140.885%0.85380%0.8SS**  trans-71.198.6175.9-175.2174.9170.5175.8-1.8107.8L179 K183L179-R181 PolarHBondContact O-N 3.24Å; L179-R181 VanDerWaalsContact O-N 3.08Å; R181-K183 PolarHBondContact O-N 3.41Å
182N46.7Very low48.8Very low145 Ų145145 Ų14578%0.77583%0.832SS**  trans-61105.9172.5-111.79.4000109.4S180 N184S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.07Å; N182-N184 PolarHBondContact O-N 2.74Å
183K49.1Very low48.5Very low185 Ų185144.5 Ų144.580%0.80484%0.837SS**  trans-75.794163.7-87.2179.7174.5171.90107.7R181 K185R181-K183 PolarHBondContact O-N 3.41Å; K183-K185 PolarHBondContact O-N 3.18Å
184N42.9Very low48.4Very low160 Ų160146.2 Ų146.286%0.85684%0.84SS**  trans-78.895.5155.6-100.910.5000108.3N182N182-N184 PolarHBondContact O-N 2.74Å
185K50Low48.6Very low201 Ų201143.3 Ų143.387%0.87484%0.839SS**  trans-96.7125.2152.7-89.5-170.6172.8-171.70107K183K183-K185 PolarHBondContact O-N 3.18Å
186G41Very low48.7Very low78 Ų78146.2 Ų146.280%0.80485%0.85SS**  trans-174.573.9174.500000110.4
187S50.3Low48.6Very low126 Ų126148.7 Ų148.788%0.88186%0.856SS**  trans-60.1140166.646.70000111.5
188G40Very low48.1Very low79 Ų79146.5 Ų146.581%0.81486%0.86SS**  trans-16577170.300000111
189S46.4Very low47.8Very low112 Ų112148.4 Ų148.478%0.78387%0.866SS**  trans-71.8129.8162.4440000110.3
190V49.5Very low47.5Very low147 Ų147146.6 Ų146.689%0.89186%0.863SS**  trans-144.7131.5143.9-174.50000108.5
191D49Very low46.9Very low144 Ų144149.7 Ų149.777%0.7787%0.871SS**  trans-63.4162177.4-70.8-58.1000114.7
192S47.3Very low46.6Very low193 Ų193142.7 Ų142.7100%1.3587%0.873SS**  trans40.60144.4-59.90000120.9

Retrieved 192 of 192 residues in 104.9 ms (Link to these results)

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