A0A060WDD9_ONCMY Loading...

Arrestin domain containing 2

AlphaFold DB , UniProt , Accession A0A060WDD9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524135, Length 407 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
1M35.4Very low74.6Confident214 Ų21498.5 Ų98.5100%1.05449%0.488SS*.  0125.50-72.9-159.4-104.700109.3F3M1-F3 HydrophobicContact CB-CD2 3.94Å; M1-F3 HydrophobicContact CB-CE2 4.28Å; M1-F3 PolarHBondContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE2 4.11Å
2I43Very low76.2Confident178 Ų17894.2 Ų94.291%0.91347%0.471SS*.  trans-85.548.7-165.6-57.5158.3000110.5G4I2-G4 PolarHBondContact O-N 3.34Å; I2-G4 VanDerWaalsContact O-N 3.11Å
3F48.1Very low77.5Confident184 Ų18488.2 Ų88.281%0.80744%0.44SS*.  trans-77.1101.5175.8-81-81.3000109.6M1 K5M1-F3 HydrophobicContact CB-CD2 3.94Å; M1-F3 HydrophobicContact CB-CE2 4.28Å; M1-F3 PolarHBondContact O-N 3.15Å; M1-F3 HydrophobicContact SD-CE2 4.11Å; F3-K5 PolarHBondContact O-N 3.34Å
4G65.4Low78.5Confident51 Ų5189.1 Ų89.153%0.52645%0.447SS..  trans57.258.5148.900000117.7I2 L6I2-G4 PolarHBondContact O-N 3.34Å; I2-G4 VanDerWaalsContact O-N 3.11Å; G4-L6 PolarHBondContact O-N 3.13Å
5K79.3Confident78.5Confident103 Ų10385.8 Ų85.845%0.44844%0.436SS..SBendtrans-57.2-8165.2-67.1-171.9175.7-177.50114.1F3 L38 A39 E41F3-K5 PolarHBondContact O-N 3.34Å; K5-L38 CarbonylContact O-C 3.58Å; K5-L38 WeakPolarHBondContact O-CA 3.39Å; K5-A39 PolarHBondContact O-N 3.1Å; K5-E41 WeakPolarHBondContact CD-O 3.35Å; K5-E41 WeakPolarHBondContact CE-O 3.46Å; K5-E41 PolarHBondContact NZ-O 2.92Å
6L84.6Confident77.5Confident30 Ų3088.3 Ų88.316%0.15746%0.46CS..EExtended strand (participates in β ladder)trans-100.5107.8180-178.961.8000109.6G4 K8 F9 L36 L38 L136 R144G4-L6 PolarHBondContact O-N 3.13Å; L6-K8 VanDerWaalsContact CD1-O 3.27Å; L6-K8 WeakPolarHBondContact CD1-O 3.4Å; L6-F9 HydrophobicContact CD1-CB 4.13Å; L6-F9 HydrophobicContact CD2-CB 3.93Å; L6-F9 HydrophobicContact CD2-CG 4.43Å; L6-F9 HydrophobicContact CG-CB 4.25Å; L6-L36 HydrophobicContact CD1-CD1 3.29Å; L6-L36 HydrophobicContact CD1-CG 3.86Å; L6-L38 HydrophobicContact CD1-CD2 3.9Å; L6-L136 HydrophobicContact CD2-CD2 4.19Å; L6-R144 HydrophobicContact CD2-CG 4.45Å
7K88.7Confident76.8Confident142 Ų14290.6 Ų90.662%0.61747%0.468SS*.EExtended strand (participates in β ladder)trans-81.6-48.5176.2-68.1177.3172172.80111.6D37 A39K7-D37 HydrophobicContact CB-CB 4.11Å; K7-D37 WeakPolarHBondContact CB-O 3.47Å; K7-D37 PolarHBondContact N-O 3.32Å; K7-A39 HydrophobicContact CD-CB 4.18Å; K7-A39 HydrophobicContact CG-CB 3.94Å
8K91.9Very high75.9Confident96 Ų9694.5 Ų94.542%0.41749%0.488SS..EExtended strand (participates in β ladder)trans-133.7137.8-178.6-166.7176.2177.8177.20110.3L6 D10 L36 D37L6-K8 VanDerWaalsContact CD1-O 3.27Å; L6-K8 WeakPolarHBondContact CD1-O 3.4Å; K8-D10 VanDerWaalsContact CE-OD2 3.29Å; K8-D10 WeakPolarHBondContact CE-OD2 3.44Å; K8-D10 HydrophobicContact CG-CB 4.22Å; K8-D10 IonicContact NZ-OD2 2.67Å; K8-L36 CarbonylContact O-C 3.56Å; K8-L36 WeakPolarHBondContact O-CA 3.43Å; K8-D37 HydrophobicContact CB-CB 3.6Å; K8-D37 PolarHBondContact N-O 3.26Å; K8-D37 PolarHBondContact O-N 3.25Å
9F94.3Very high75.5Confident30 Ų3098.1 Ų98.113%0.13251%0.508CS..EExtended strand (participates in β ladder)trans-141.8108.1169.8-177.3-143000107.5L6 V34 V35 L36 L47 V134 L136 R144 I146L6-F9 HydrophobicContact CD1-CB 4.13Å; L6-F9 HydrophobicContact CD2-CB 3.93Å; L6-F9 HydrophobicContact CD2-CG 4.43Å; L6-F9 HydrophobicContact CG-CB 4.25Å; F9-V34 HydrophobicContact CD2-CG1 4.21Å; F9-V34 HydrophobicContact CE2-CG1 3.7Å; F9-V35 WeakPolarHBondContact CA-O 3.41Å; F9-L36 HydrophobicContact CD2-CD1 3.81Å; F9-L36 HydrophobicContact CE2-CD1 4.41Å; F9-L36 HydrophobicContact CG-CD1 4.36Å; F9-L47 HydrophobicContact CE2-CD1 3.96Å; F9-L47 HydrophobicContact CZ-CD1 4.17Å; F9-V134 HydrophobicContact CE2-CG1 4.13Å; F9-V134 HydrophobicContact CZ-CB 4.2Å; F9-V134 HydrophobicContact CZ-CG1 3.88Å; F9-L136 HydrophobicContact CE1-CB 3.99Å; F9-L136 HydrophobicContact CE2-CB 4.29Å; F9-L136 HydrophobicContact CZ-CB 3.71Å; F9-R144 HydrophobicContact CD1-CB 4.31Å; F9-R144 HydrophobicContact CE1-CB 4.18Å; F9-I146 HydrophobicContact CB-CG2 4.49Å; F9-I146 HydrophobicContact CD1-CB 4.25Å; F9-I146 HydrophobicContact CD1-CD1 3.89Å; F9-I146 HydrophobicContact CD1-CG1 3.99Å; F9-I146 HydrophobicContact CD1-CG2 3.37Å; F9-I146 HydrophobicContact CD2-CD1 3.63Å; F9-I146 HydrophobicContact CD2-CG1 4.45Å; F9-I146 HydrophobicContact CE1-CB 4.14Å; F9-I146 HydrophobicContact CE1-CD1 3.85Å; F9-I146 HydrophobicContact CE1-CG1 3.6Å; F9-I146 HydrophobicContact CE1-CG2 3.7Å; F9-I146 HydrophobicContact CE2-CD1 3.57Å; F9-I146 HydrophobicContact CE2-CG1 4.1Å; F9-I146 HydrophobicContact CG-CD1 3.78Å; F9-I146 HydrophobicContact CG-CG1 4.39Å; F9-I146 HydrophobicContact CG-CG2 4.03Å; F9-I146 HydrophobicContact CZ-CD1 3.69Å; F9-I146 HydrophobicContact CZ-CG1 3.66Å
10D94.8Very high75.2Confident55 Ų5595.4 Ų95.429%0.29450%0.497SS..EExtended strand (participates in β ladder)trans-146.8157.2-167.6-160.95.3000111.7K8 V34 V35K8-D10 VanDerWaalsContact CE-OD2 3.29Å; K8-D10 WeakPolarHBondContact CE-OD2 3.44Å; K8-D10 HydrophobicContact CG-CB 4.22Å; K8-D10 IonicContact NZ-OD2 2.67Å; D10-V34 WeakPolarHBondContact O-CA 3.41Å; D10-V35 PolarHBondContact N-O 3.29Å; D10-V35 PolarHBondContact O-N 3.23Å
11I95.1Very high75.3Confident1 Ų194.4 Ų94.41%0.00550%0.497CS..EExtended strand (participates in β ladder)trans-108.6126.5173.1-58169.7000106.9F13 F108 V132 V134 I146 K148I11-F13 HydrophobicContact CG2-CE1 4.49Å; I11-F13 HydrophobicContact CG2-CZ 4.43Å; I11-F108 HydrophobicContact CG2-CE1 3.88Å; I11-F108 HydrophobicContact CG2-CZ 3.89Å; I11-V132 HydrophobicContact CD1-CB 4.31Å; I11-V132 HydrophobicContact CD1-CG1 4.11Å; I11-V132 WeakPolarHBondContact CD1-O 3.45Å; I11-V134 HydrophobicContact CD1-CB 4.43Å; I11-V134 HydrophobicContact CD1-CG2 3.71Å; I11-V134 HydrophobicContact CG1-CG2 3.9Å; I11-I146 HydrophobicContact CD1-CD1 4.28Å; I11-I146 HydrophobicContact CD1-CG1 4.08Å; I11-I146 HydrophobicContact CG1-CD1 3.62Å; I11-I146 HydrophobicContact CG1-CG1 4Å; I11-K148 HydrophobicContact CB-CB 3.95Å; I11-K148 HydrophobicContact CB-CD 3.98Å; I11-K148 HydrophobicContact CD1-CB 3.95Å; I11-K148 HydrophobicContact CG1-CB 4.48Å; I11-K148 HydrophobicContact CG2-CB 4.25Å; I11-K148 HydrophobicContact CG2-CD 4.29Å; I11-K148 WeakPolarHBondContact O-CD 3.14Å; I11-K148 WeakPolarHBondContact O-CE 3.37Å; I11-K148 PolarHBondContact O-NZ 3.02Å
12V93.9Very high77.8Confident46 Ų4684.7 Ų84.728%0.27945%0.45SS..EExtended strand (participates in β ladder)trans-118.4117.5176-176.50000107G32 K33 V35V12-G32 CarbonylContact O-C 3.51Å; V12-G32 WeakPolarHBondContact O-CA 3.43Å; V12-K33 HydrophobicContact CB-CG 4.15Å; V12-K33 PolarHBondContact N-O 3.34Å; V12-K33 PolarHBondContact O-N 3.37Å; V12-V35 HydrophobicContact CG2-CG2 3.94Å
13F93.8Very high80.2Confident16 Ų1680.3 Ų80.37%0.0743%0.431CS..EExtended strand (participates in β ladder)trans-79.3149.2172.8-68.6-66.2000109.7I11 S15 P22 V30 F108 V132 K148 F150I11-F13 HydrophobicContact CG2-CE1 4.49Å; I11-F13 HydrophobicContact CG2-CZ 4.43Å; F13-S15 PolarHBondContact O-N 2.61Å; F13-P22 HydrophobicContact CB-CG 4.04Å; F13-P22 HydrophobicContact CD2-CG 3.53Å; F13-P22 HydrophobicContact CE2-CG 4.09Å; F13-P22 HydrophobicContact CG-CG 3.85Å; F13-V30 HydrophobicContact CD1-CG1 4.04Å; F13-V30 HydrophobicContact CE1-CG1 3.74Å; F13-F108 HydrophobicContact CD1-CE2 4.25Å; F13-F108 AromaticContact CD1-CZ 3.88Å; F13-F108 HydrophobicContact CD1-CZ 3.88Å; F13-F108 HydrophobicContact CE1-CE2 4.11Å; F13-F108 AromaticContact CE1-CZ 3.86Å; F13-F108 HydrophobicContact CE1-CZ 3.86Å; F13-V132 HydrophobicContact CE1-CB 4.44Å; F13-V132 HydrophobicContact CE1-CG2 3.79Å; F13-V132 HydrophobicContact CZ-CB 4.23Å; F13-V132 HydrophobicContact CZ-CG2 3.87Å; F13-K148 HydrophobicContact CD2-CD 4.11Å; F13-K148 HydrophobicContact CD2-CG 4.38Å; F13-K148 HydrophobicContact CE2-CB 4.12Å; F13-K148 HydrophobicContact CE2-CD 3.96Å; F13-K148 HydrophobicContact CE2-CG 3.77Å; F13-F150 HydrophobicContact CE1-CD1 4.48Å; F13-F150 HydrophobicContact CE2-CB 4.31Å; F13-F150 HydrophobicContact CZ-CB 4.3Å; F13-F150 AromaticContact CZ-CD1 3.94Å; F13-F150 HydrophobicContact CZ-CD1 3.94Å
14D90.9Very high82.3Confident101 Ų10172.8 Ų72.854%0.5440%0.398SS..  trans-80.370.6172-64.4-23.5000108.3S31 G32D14-S31 PolarHBondContact N-O 2.9Å; D14-G32 WeakPolarHBondContact OD2-CA 3.36Å; D14-G32 PolarHBondContact OD2-N 3.14Å
15S78.7Confident83.6Confident40 Ų4072 Ų7228%0.2839%0.385SS..  trans-115.6139.5178.2-173.70000110.3F13 E17F13-S15 PolarHBondContact O-N 2.61Å; S15-E17 PolarHBondContact O-N 3.11Å
16P61.5Low84.2Confident126 Ų12668.1 Ų68.182%0.81837%0.371SS*.SBendtrans-68.9-19177.327.5-34.1000113.2
17E67.1Low84.6Confident127 Ų12767.5 Ų67.559%0.59337%0.371SS*.  trans-99.5118.2-178.9-64-175.7-172.400110.8S15 S20S15-E17 PolarHBondContact O-N 3.11Å; E17-S20 VanDerWaalsContact CB-OG 3.24Å; E17-S20 WeakPolarHBondContact CB-OG 3.49Å; E17-S20 PolarHBondContact OE2-OG 2.93Å
18I59.5Low84.8Confident161 Ų16163.9 Ų63.983%0.82636%0.359SS*.SBendtrans-80.6-25.8-173.3-64.4171.2000112
19D68Low84.9Confident163 Ų16362.8 Ų62.887%0.87236%0.36SS*.SBendtrans-109.7-6-169-67.3-34.6000114.9
20S70.1Confident84.9Confident43 Ų4361.4 Ų61.430%0.30135%0.354SS..SBendtrans-112.8146.9177.665.80000110.7E17E17-S20 VanDerWaalsContact CB-OG 3.24Å; E17-S20 WeakPolarHBondContact CB-OG 3.49Å; E17-S20 PolarHBondContact OE2-OG 2.93Å
21P76.8Confident85Confident75 Ų7560.3 Ų60.349%0.48735%0.351SS..  trans-64.1135.5168.427.3-31.5000108.6V23P21-V23 PolarHBondContact O-N 3.15Å
22P89.2Confident85Confident10 Ų1060.3 Ų60.37%0.06535%0.351CS..  trans-62.4141.4-178.826.2-34.4000110.7F13 F24 F150 T151F13-P22 HydrophobicContact CB-CG 4.04Å; F13-P22 HydrophobicContact CD2-CG 3.53Å; F13-P22 HydrophobicContact CE2-CG 4.09Å; F13-P22 HydrophobicContact CG-CG 3.85Å; P22-F24 HydrophobicContact CB-CD2 4.37Å; P22-F24 HydrophobicContact CB-CE2 3.56Å; P22-F24 HydrophobicContact CB-CZ 3.8Å; P22-F24 HydrophobicContact CG-CE2 3.69Å; P22-F24 HydrophobicContact CG-CZ 4.19Å; P22-F150 HydrophobicContact CG-CB 3.97Å; P22-T151 PolarHBondContact O-N 3.34Å
23V92.1Very high85.1Confident87 Ų8760.8 Ų60.853%0.52735%0.349SS..EExtended strand (participates in β ladder)trans-105130.8178.7-176.70000108.7P21 T151 I153P21-V23 PolarHBondContact O-N 3.15Å; V23-T151 CarbonylContact C-O 3.47Å; V23-T151 VanDerWaalsContact CA-O 3.31Å; V23-T151 WeakPolarHBondContact CA-O 3.26Å; V23-I153 HydrophobicContact CG1-CB 4.26Å; V23-I153 HydrophobicContact CG1-CD1 3.68Å; V23-I153 HydrophobicContact CG1-CG1 3.81Å
24F93.3Very high85.3Confident25 Ų2560 Ų6011%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-130.6162.2178.7-59.5-79.7000110.8P22 D28 V30 L112 F150 T151 V152 I153P22-F24 HydrophobicContact CB-CD2 4.37Å; P22-F24 HydrophobicContact CB-CE2 3.56Å; P22-F24 HydrophobicContact CB-CZ 3.8Å; P22-F24 HydrophobicContact CG-CE2 3.69Å; P22-F24 HydrophobicContact CG-CZ 4.19Å; F24-D28 WeakPolarHBondContact CA-OD2 3.43Å; F24-D28 HydrophobicContact CB-CB 4.2Å; F24-D28 HydrophobicContact CD1-CB 4.07Å; F24-V30 HydrophobicContact CD1-CG2 3.98Å; F24-V30 HydrophobicContact CD2-CG2 3.93Å; F24-V30 HydrophobicContact CE1-CB 4.48Å; F24-V30 HydrophobicContact CE1-CG2 4.03Å; F24-V30 HydrophobicContact CE2-CG1 4.11Å; F24-V30 HydrophobicContact CE2-CG2 3.95Å; F24-V30 HydrophobicContact CG-CG2 3.92Å; F24-V30 HydrophobicContact CZ-CB 4.3Å; F24-V30 HydrophobicContact CZ-CG1 4.03Å; F24-V30 HydrophobicContact CZ-CG2 4.01Å; F24-L112 HydrophobicContact CB-CD1 3.65Å; F24-L112 HydrophobicContact CG-CD1 4.4Å; F24-F150 HydrophobicContact CD2-CB 4.08Å; F24-F150 AromaticContact CD2-CD2 3.61Å; F24-F150 HydrophobicContact CD2-CD2 3.61Å; F24-F150 HydrophobicContact CD2-CE2 4.32Å; F24-F150 HydrophobicContact CD2-CG 4.09Å; F24-F150 HydrophobicContact CE2-CB 3.94Å; F24-F150 HydrophobicContact CE2-CD2 4.15Å; F24-F150 HydrophobicContact CE2-CG 4.17Å; F24-T151 PolarHBondContact N-O 3.36Å; F24-V152 CarbonylContact O-C 3.57Å; F24-V152 WeakPolarHBondContact O-CA 3.33Å; F24-I153 PolarHBondContact O-N 3.46Å
25S92.6Very high85.5Confident35 Ų3555.4 Ų55.425%0.24532%0.321CS..  trans-123.5170172.4-68.20000110.6G27 D28 L112 I153S25-G27 PolarHBondContact O-N 3.16Å; S25-D28 PolarHBondContact N-OD2 3.07Å; S25-D28 VanDerWaalsContact O-CB 3.32Å; S25-D28 WeakPolarHBondContact O-CB 3.43Å; S25-D28 PolarHBondContact O-N 3.2Å; S25-D28 VanDerWaalsContact O-N 3.14Å; S25-L112 WeakPolarHBondContact O-CD1 3.42Å; S25-I153 WeakPolarHBondContact CB-O 3.37Å; S25-I153 PolarHBondContact OG-O 2.89Å
26S91.7Very high86.3Confident22 Ų2253.6 Ų53.615%0.15431%0.308CS..THydrogen-bonded Turntrans-53.2137.6172.5-70.30000111.3D28 P113 D114 L117 E154S26-D28 VanDerWaalsContact C-N 3.28Å; S26-D28 PolarHBondContact O-N 2.98Å; S26-P113 WeakPolarHBondContact CA-O 3.29Å; S26-P113 WeakPolarHBondContact CB-O 3.48Å; S26-P113 PolarHBondContact OG-O 3.19Å; S26-D114 WeakPolarHBondContact CB-O 3.48Å; S26-L117 WeakPolarHBondContact OG-CB 3.32Å; S26-E154 WeakPolarHBondContact CB-OE2 3.38Å; S26-E154 VanDerWaalsContact OG-CD 3.27Å; S26-E154 PolarHBondContact OG-OE1 2.8Å; S26-E154 PolarHBondContact OG-OE2 2.75Å
27G91.9Very high87.9Confident16 Ų1649.9 Ų49.917%0.16528%0.282CS..THydrogen-bonded Turntrans82.4-13.9-176.200000116.2S25 Q111 L112 P113 D114S25-G27 PolarHBondContact O-N 3.16Å; G27-Q111 VanDerWaalsContact O-CG 3.22Å; G27-Q111 WeakPolarHBondContact O-CG 3.49Å; G27-Q111 PolarHBondContact O-NE2 3.18Å; G27-L112 WeakPolarHBondContact CA-O 3.2Å; G27-L112 PolarHBondContact N-O 3.15Å; G27-P113 PolarHBondContact N-O 3.48Å; G27-D114 WeakPolarHBondContact CA-OD1 3.41Å
28D93.2Very high89.1Confident66 Ų6644 Ų4435%0.35325%0.254SS..  trans-65.9151.8178.8-74.5-12.5000112.5F24 S25 S26 L112F24-D28 WeakPolarHBondContact CA-OD2 3.43Å; F24-D28 HydrophobicContact CB-CB 4.2Å; F24-D28 HydrophobicContact CD1-CB 4.07Å; S25-D28 PolarHBondContact N-OD2 3.07Å; S25-D28 VanDerWaalsContact O-CB 3.32Å; S25-D28 WeakPolarHBondContact O-CB 3.43Å; S25-D28 PolarHBondContact O-N 3.2Å; S25-D28 VanDerWaalsContact O-N 3.14Å; S26-D28 VanDerWaalsContact C-N 3.28Å; S26-D28 PolarHBondContact O-N 2.98Å; D28-L112 HydrophobicContact CB-CD1 4.47Å; D28-L112 WeakPolarHBondContact O-CB 3.13Å; D28-L112 PolarHBondContact O-N 3.14Å
29V94.7Very high90.7Very high74 Ų7438.9 Ų38.945%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-92.6114.9174.11800000109.8S109 Q111V29-S109 WeakPolarHBondContact CG1-OG 3.43Å; V29-Q111 HydrophobicContact CG2-CB 4.42Å; V29-Q111 HydrophobicContact CG2-CG 4.2Å
30V94.9Very high91.8Very high0 Ų032 Ų320%020%0.204CC..EExtended strand (participates in β ladder)trans-87.2111.9171.8-178.80000108.2F13 F24 F108 S109 F110 L112 F150F13-V30 HydrophobicContact CD1-CG1 4.04Å; F13-V30 HydrophobicContact CE1-CG1 3.74Å; F24-V30 HydrophobicContact CD1-CG2 3.98Å; F24-V30 HydrophobicContact CD2-CG2 3.93Å; F24-V30 HydrophobicContact CE1-CB 4.48Å; F24-V30 HydrophobicContact CE1-CG2 4.03Å; F24-V30 HydrophobicContact CE2-CG1 4.11Å; F24-V30 HydrophobicContact CE2-CG2 3.95Å; F24-V30 HydrophobicContact CG-CG2 3.92Å; F24-V30 HydrophobicContact CZ-CB 4.3Å; F24-V30 HydrophobicContact CZ-CG1 4.03Å; F24-V30 HydrophobicContact CZ-CG2 4.01Å; V30-F108 HydrophobicContact CG1-CE2 4.44Å; V30-S109 WeakPolarHBondContact O-CA 3.44Å; V30-F110 HydrophobicContact CB-CD2 4.28Å; V30-F110 HydrophobicContact CB-CE1 4.12Å; V30-F110 HydrophobicContact CB-CE2 3.72Å; V30-F110 HydrophobicContact CB-CZ 3.62Å; V30-F110 HydrophobicContact CG1-CE1 4Å; V30-F110 HydrophobicContact CG1-CE2 4.22Å; V30-F110 HydrophobicContact CG1-CZ 3.61Å; V30-F110 HydrophobicContact CG2-CE2 4.04Å; V30-F110 HydrophobicContact CG2-CZ 4.25Å; V30-F110 PolarHBondContact N-O 2.89Å; V30-F110 PolarHBondContact O-N 2.99Å; V30-L112 HydrophobicContact CG2-CD1 3.92Å; V30-L112 HydrophobicContact CG2-CD2 4.06Å; V30-L112 HydrophobicContact CG2-CG 3.83Å; V30-F150 HydrophobicContact CG2-CE2 4.39Å; V30-F150 HydrophobicContact CG2-CZ 4.5Å
31S95.6Very high92.7Very high33 Ų3335.1 Ų35.123%0.23121%0.214CC..EExtended strand (participates in β ladder)trans-124.7157.3-179.152.90000112.1D14 F108D14-S31 PolarHBondContact N-O 2.9Å; S31-F108 WeakPolarHBondContact CA-O 3.42Å
32G95.5Very high93.4Very high1 Ų132 Ų321%0.0119%0.194CC..EExtended strand (participates in β ladder)trans171.1-161.8-179.800000112.5V12 D14 P107 F108V12-G32 CarbonylContact O-C 3.51Å; V12-G32 WeakPolarHBondContact O-CA 3.43Å; D14-G32 WeakPolarHBondContact OD2-CA 3.36Å; D14-G32 PolarHBondContact OD2-N 3.14Å; G32-P107 CarbonylContact O-C 3.47Å; G32-P107 VanDerWaalsContact O-CA 3.31Å; G32-P107 WeakPolarHBondContact O-CA 3.27Å; G32-F108 VanDerWaalsContact C-CE1 3.41Å; G32-F108 PolarHBondContact N-O 3.09Å; G32-F108 PolarHBondContact O-N 3.09Å
33K96.3Very high93.4Very high56 Ų5636.9 Ų36.924%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-143.7147.6177.260.1-169.3178.7-177.90113V12 V35 E105 F106 F108V12-K33 HydrophobicContact CB-CG 4.15Å; V12-K33 PolarHBondContact N-O 3.34Å; V12-K33 PolarHBondContact O-N 3.37Å; K33-V35 HydrophobicContact CG-CG2 4.17Å; K33-E105 HydrophobicContact CD-CB 4.37Å; K33-E105 HydrophobicContact CD-CG 4.5Å; K33-E105 WeakPolarHBondContact CD-OE2 3.45Å; K33-E105 WeakPolarHBondContact CE-OE2 3.33Å; K33-E105 IonicContact NZ-OE1 3.22Å; K33-E105 PolarHBondContact NZ-OE1 3.22Å; K33-E105 IonicContact NZ-OE2 3.07Å; K33-E105 PolarHBondContact NZ-OE2 3.18Å; K33-F106 CarbonylContact C-O 3.54Å; K33-F106 WeakPolarHBondContact CA-O 3.18Å; K33-F108 VanDerWaalsContact N-CE1 3.32Å
34V97.1Very high93.4Very high0 Ų032.7 Ų32.70%019%0.189CC..EExtended strand (participates in β ladder)trans-91.8123.7167.7-176.40000108.3F9 D10 L47 L88 E105 F106 F108 V134F9-V34 HydrophobicContact CD2-CG1 4.21Å; F9-V34 HydrophobicContact CE2-CG1 3.7Å; D10-V34 WeakPolarHBondContact O-CA 3.41Å; V34-L47 HydrophobicContact CB-CD2 4.27Å; V34-L47 HydrophobicContact CG1-CD1 4.45Å; V34-L47 HydrophobicContact CG1-CD2 4.07Å; V34-L88 HydrophobicContact CB-CD1 4.19Å; V34-L88 HydrophobicContact CG2-CD1 3.43Å; V34-L88 VanDerWaalsContact CG2-CD1 3.43Å; V34-E105 WeakPolarHBondContact O-CA 3.39Å; V34-F106 HydrophobicContact CB-CB 4.34Å; V34-F106 PolarHBondContact N-O 3.38Å; V34-F106 PolarHBondContact O-N 3.3Å; V34-F108 HydrophobicContact CG2-CD1 4.13Å; V34-F108 HydrophobicContact CG2-CE1 4.4Å; V34-V134 HydrophobicContact CG1-CG1 4.09Å; V34-V134 HydrophobicContact CG2-CB 4.47Å; V34-V134 HydrophobicContact CG2-CG1 4.14Å; V34-V134 HydrophobicContact CG2-CG2 3.68Å
35V96.3Very high93.4Very high3 Ų334.9 Ų34.92%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-105.1123.1-179.1-176.80000109.6F9 D10 V12 K33 R103 E105F9-V35 WeakPolarHBondContact CA-O 3.41Å; D10-V35 PolarHBondContact N-O 3.29Å; D10-V35 PolarHBondContact O-N 3.23Å; V12-V35 HydrophobicContact CG2-CG2 3.94Å; K33-V35 HydrophobicContact CG-CG2 4.17Å; V35-R103 HydrophobicContact CG1-CG 4.03Å; V35-E105 HydrophobicContact CG2-CG 4.46Å
36L95.1Very high93.4Very high2 Ų233.4 Ų33.41%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-117.8113.3176-167.283.7000108.9L6 K8 F9 L38 L99 R103 H104 F106 L136L6-L36 HydrophobicContact CD1-CD1 3.29Å; L6-L36 HydrophobicContact CD1-CG 3.86Å; K8-L36 CarbonylContact O-C 3.56Å; K8-L36 WeakPolarHBondContact O-CA 3.43Å; F9-L36 HydrophobicContact CD2-CD1 3.81Å; F9-L36 HydrophobicContact CE2-CD1 4.41Å; F9-L36 HydrophobicContact CG-CD1 4.36Å; L36-L38 HydrophobicContact CD2-CD1 3.91Å; L36-L38 HydrophobicContact CD2-CD2 3.86Å; L36-L38 HydrophobicContact CD2-CG 3.94Å; L36-L38 HydrophobicContact CG-CD2 3.94Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L36-L99 HydrophobicContact CD2-CD1 3.57Å; L36-R103 WeakPolarHBondContact O-CA 3.38Å; L36-H104 HydrophobicContact CB-CB 4.28Å; L36-H104 PolarHBondContact N-O 2.73Å; L36-H104 PolarHBondContact O-N 2.83Å; L36-F106 HydrophobicContact CB-CE2 4.32Å; L36-L136 HydrophobicContact CD1-CD2 3.74Å
37D94.4Very high93.6Very high48 Ų4832.5 Ų32.526%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-104.4121.8172.9-17711.7000109.6K7 K8K7-D37 HydrophobicContact CB-CB 4.11Å; K7-D37 WeakPolarHBondContact CB-O 3.47Å; K7-D37 PolarHBondContact N-O 3.32Å; K8-D37 HydrophobicContact CB-CB 3.6Å; K8-D37 PolarHBondContact N-O 3.26Å; K8-D37 PolarHBondContact O-N 3.25Å
38L93.9Very high93.9Very high3 Ų335.4 Ų35.42%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-111.9127.8-174.8-61.9178.3000111.2K5 L6 L36 G40 C42 L99 G102K5-L38 CarbonylContact O-C 3.58Å; K5-L38 WeakPolarHBondContact O-CA 3.39Å; L6-L38 HydrophobicContact CD1-CD2 3.9Å; L36-L38 HydrophobicContact CD2-CD1 3.91Å; L36-L38 HydrophobicContact CD2-CD2 3.86Å; L36-L38 HydrophobicContact CD2-CG 3.94Å; L36-L38 HydrophobicContact CG-CD2 3.94Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L38-G40 PolarHBondContact O-N 3.43Å; L38-C42 HydrophobicContact CD1-CB 3.67Å; L38-C42 HydrophobicContact CD2-CB 3.93Å; L38-C42 HydrophobicContact CG-CB 4.39Å; L38-L99 HydrophobicContact CD1-CB 3.56Å; L38-L99 HydrophobicContact CD1-CD1 4.28Å; L38-G102 PolarHBondContact N-O 3.37Å; L38-G102 PolarHBondContact O-N 3.03Å
39A92Very high94.1Very high55 Ų5532.5 Ų32.546%0.45518%0.175SC..SBendtrans-70.4-19.2172.700000113.4K5 K7K5-A39 PolarHBondContact O-N 3.1Å; K7-A39 HydrophobicContact CD-CB 4.18Å; K7-A39 HydrophobicContact CG-CB 3.94Å
40G90.6Very high94.2Very high19 Ų1929.6 Ų29.620%0.19616%0.156CC..SBendtrans-167.4168.8-175.800000110.3L38 C42L38-G40 PolarHBondContact O-N 3.43Å; G40-C42 PolarHBondContact O-N 3.36Å
41E90.5Very high94.3Very high107 Ų10729.6 Ų29.650%0.516%0.156SC..  trans-52.5128.7-179.3-173.4-171.591.700112.3K5 L98 L99K5-E41 WeakPolarHBondContact CD-O 3.35Å; K5-E41 WeakPolarHBondContact CE-O 3.46Å; K5-E41 PolarHBondContact NZ-O 2.92Å; E41-L98 HydrophobicContact CG-CD2 4.11Å; E41-L99 CarbonylContact C-O 3.44Å; E41-L99 VanDerWaalsContact CA-O 3.26Å; E41-L99 WeakPolarHBondContact CA-O 3.21Å
42C90Very high94.4Very high9 Ų929.3 Ų29.36%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-128.3130.3-176.3-169.50000111.4L38 G40 L99 R138L38-C42 HydrophobicContact CD1-CB 3.67Å; L38-C42 HydrophobicContact CD2-CB 3.93Å; L38-C42 HydrophobicContact CG-CB 4.39Å; G40-C42 PolarHBondContact O-N 3.36Å; C42-L99 PolarHBondContact N-O 3.36Å; C42-L99 PolarHBondContact O-N 2.8Å; C42-R138 VanDerWaalsContact SG-CD 3.5Å
43K90.8Very high94.4Very high113 Ų11329.3 Ų29.349%0.49115%0.151SC..EExtended strand (participates in β ladder)trans-77.3129.4169.5-68.5175.6178.6-171.90109.9L96 I97 L98 R138 P139K43-L96 HydrophobicContact CD-CD1 4.07Å; K43-I97 CarbonylContact C-O 3.6Å; K43-I97 WeakPolarHBondContact CA-O 3.47Å; K43-L98 HydrophobicContact CD-CD2 4.24Å; K43-L98 HydrophobicContact CG-CD2 3.38Å; K43-L98 HydrophobicContact CG-CG 4.39Å; K43-R138 WeakPolarHBondContact O-CG 3.31Å; K43-P139 HydrophobicContact CB-CG 4Å; K43-P139 WeakPolarHBondContact O-CD 3.48Å
44V91.6Very high94.4Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-126131.5179-178.90000109.1L89 I97 L99 L136V44-L89 HydrophobicContact CB-CD2 4.37Å; V44-L89 HydrophobicContact CG1-CD2 3.91Å; V44-I97 PolarHBondContact N-O 2.82Å; V44-I97 PolarHBondContact O-N 3.15Å; V44-I97 VanDerWaalsContact O-N 3.08Å; V44-L99 HydrophobicContact CB-CD1 4.43Å; V44-L99 HydrophobicContact CG2-CD1 3.68Å; V44-L99 HydrophobicContact CG2-CG 4.12Å; V44-L136 HydrophobicContact CG1-CD1 3.62Å; V44-L136 HydrophobicContact CG2-CD1 4.17Å
45E92Very high94.4Very high70 Ų7027.2 Ų27.233%0.32714%0.142SC..SBendtrans-89.3-48.3175.7-74.4170.9-176.200111A91 L96 H137 P139E45-A91 WeakPolarHBondContact O-CB 3.35Å; E45-A91 PolarHBondContact O-N 3.29Å; E45-L96 HydrophobicContact CG-CD2 3.52Å; E45-H137 HydrophobicContact CB-CB 4.04Å; E45-H137 PolarHBondContact N-O 2.94Å; E45-P139 HydrophobicContact CG-CG 3.92Å; E45-P139 WeakPolarHBondContact OE1-CA 3.48Å
46S93.8Very high94.5Very high5 Ų530.7 Ų30.74%0.03516%0.157CC..EExtended strand (participates in β ladder)trans-160.1153.2176.557.90000112.2K48 L89 Q90 H137S46-K48 WeakPolarHBondContact OG-CE 3.14Å; S46-L89 CarbonylContact C-O 3.56Å; S46-L89 WeakPolarHBondContact CA-O 3.3Å; S46-L89 WeakPolarHBondContact CB-O 3.35Å; S46-Q90 VanDerWaalsContact CB-OE1 3.27Å; S46-H137 PolarHBondContact N-O 3.04Å; S46-H137 PolarHBondContact O-N 2.89Å; S46-H137 WeakPolarHBondContact OG-CB 3.5Å; S46-H137 PolarHBondContact OG-CD2 3.48Å
47L95.8Very high94.6Very high2 Ų230.9 Ų30.91%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-121.2110.4169.5-171.568000107.5F9 V34 L88 L89 F106 V134 L136F9-L47 HydrophobicContact CE2-CD1 3.96Å; F9-L47 HydrophobicContact CZ-CD1 4.17Å; V34-L47 HydrophobicContact CB-CD2 4.27Å; V34-L47 HydrophobicContact CG1-CD1 4.45Å; V34-L47 HydrophobicContact CG1-CD2 4.07Å; L47-L88 HydrophobicContact CB-CB 4.36Å; L47-L88 HydrophobicContact CD2-CB 4.08Å; L47-L88 HydrophobicContact CD2-CD1 4.1Å; L47-L88 HydrophobicContact CG-CB 4.26Å; L47-L88 HydrophobicContact CG-CD1 4.34Å; L47-L88 PolarHBondContact O-N 3.22Å; L47-L89 HydrophobicContact CB-CB 3.69Å; L47-L89 PolarHBondContact N-O 3.03Å; L47-L89 PolarHBondContact O-N 2.87Å; L47-F106 HydrophobicContact CD2-CB 3.88Å; L47-F106 HydrophobicContact CD2-CD1 4.22Å; L47-F106 HydrophobicContact CD2-CD2 3.38Å; L47-F106 HydrophobicContact CD2-CE2 3.94Å; L47-F106 HydrophobicContact CD2-CG 3.54Å; L47-V134 HydrophobicContact CD1-CG1 3.49Å; L47-V134 VanDerWaalsContact CD1-CG1 3.49Å; L47-V134 HydrophobicContact CG-CG1 3.95Å; L47-L136 HydrophobicContact CD1-CB 4.03Å; L47-L136 HydrophobicContact CD1-CD1 3.99Å
48K97.4Very high94.7Very high78 Ų7834.9 Ų34.934%0.33917%0.17SC..EExtended strand (participates in β ladder)trans-116.8127.4-173.5-62.9-178.7178175.90109.9S46 V87 Q90 V134 K135S46-K48 WeakPolarHBondContact OG-CE 3.14Å; K48-V87 HydrophobicContact CG-CG1 4.42Å; K48-V87 HydrophobicContact CG-CG2 4.41Å; K48-Q90 VanDerWaalsContact CE-OE1 3.26Å; K48-V134 CarbonylContact O-C 3.6Å; K48-V134 WeakPolarHBondContact O-CA 3.26Å; K48-K135 PolarHBondContact N-O 3Å; K48-K135 PolarHBondContact O-N 2.83Å
49L97.9Very high94.8Very high4 Ų435 Ų352%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-100140.3175.4-178150.1000109.6R85 E86 L88 F108 F110 V132 K133 V134L49-R85 WeakPolarHBondContact O-CA 3.31Å; L49-E86 HydrophobicContact CB-CB 4.31Å; L49-E86 HydrophobicContact CD2-CB 4.26Å; L49-E86 PolarHBondContact N-O 3.11Å; L49-E86 PolarHBondContact O-N 2.86Å; L49-E86 VanDerWaalsContact O-O 3.1Å; L49-L88 HydrophobicContact CB-CD1 4.04Å; L49-L88 HydrophobicContact CB-CD2 4.34Å; L49-L88 HydrophobicContact CB-CG 4.05Å; L49-L88 HydrophobicContact CD1-CD1 4.13Å; L49-F108 HydrophobicContact CD1-CB 3.59Å; L49-F108 HydrophobicContact CD1-CD1 3.61Å; L49-F108 HydrophobicContact CD1-CD2 3.72Å; L49-F108 HydrophobicContact CD1-CE1 4.19Å; L49-F108 HydrophobicContact CD1-CE2 4.29Å; L49-F108 HydrophobicContact CD1-CG 3.34Å; L49-F110 HydrophobicContact CD2-CD1 4.4Å; L49-F110 HydrophobicContact CD2-CE1 4.25Å; L49-V132 HydrophobicContact CD1-CG1 3.54Å; L49-V132 HydrophobicContact CD2-CG1 3.96Å; L49-V132 HydrophobicContact CG-CG1 3.55Å; L49-K133 CarbonylContact C-O 3.57Å; L49-V134 HydrophobicContact CB-CG2 4.3Å; L49-V134 HydrophobicContact CD1-CG2 4.17Å; L49-V134 HydrophobicContact CG-CG2 4.2Å
50H97.8Very high94.9Very high14 Ų1435.7 Ų35.77%0.06517%0.169CC..EExtended strand (participates in β ladder)trans-139.8106.2178-170.6-173.6000108.2E52 N83 R84 K133H50-E52 VanDerWaalsContact CE1-CD 3.45Å; H50-E52 IonicContact CE1-OE1 2.72Å; H50-E52 PolarHBondContact CE1-OE1 3.13Å; H50-E52 IonicContact ND1-OE1 2.72Å; H50-E52 VanDerWaalsContact NE2-CG 3.35Å; H50-E52 WeakPolarHBondContact NE2-CG 3.15Å; H50-E52 IonicContact NE2-OE1 2.75Å; H50-N83 PolarHBondContact NE2-OD1 2.76Å; H50-R84 CarbonylContact C-O 3.59Å; H50-R84 WeakPolarHBondContact CA-O 3.33Å; H50-R84 PolarHBondContact CD2-O 2.71Å; H50-K133 PolarHBondContact N-O 3.07Å; H50-K133 WeakPolarHBondContact O-CB 3.41Å; H50-K133 PolarHBondContact O-N 2.85Å
51A97Very high94.9Very high0 Ų036.4 Ų36.40%017%0.168CC..EExtended strand (participates in β ladder)trans-87.6131.8171.100000109.8L82 N83 R84 F110 W131 V132A51-L82 HydrophobicContact CB-CD2 4.15Å; A51-N83 WeakPolarHBondContact O-CA 3.27Å; A51-R84 HydrophobicContact CB-CB 4.27Å; A51-R84 PolarHBondContact N-O 3.36Å; A51-R84 PolarHBondContact O-N 2.92Å; A51-F110 HydrophobicContact CB-CD2 4.43Å; A51-F110 HydrophobicContact CB-CE1 3.82Å; A51-F110 HydrophobicContact CB-CE2 3.7Å; A51-F110 HydrophobicContact CB-CZ 3.35Å; A51-W131 WeakPolarHBondContact CA-O 3.39Å; A51-V132 HydrophobicContact CB-CG2 4.25Å
52E96.4Very high94.7Very high27 Ų2736 Ų3613%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-138140.1-167.7-81.2-177.813100109.2H50 F54 L82 Y130 W131H50-E52 VanDerWaalsContact CE1-CD 3.45Å; H50-E52 IonicContact CE1-OE1 2.72Å; H50-E52 PolarHBondContact CE1-OE1 3.13Å; H50-E52 IonicContact ND1-OE1 2.72Å; H50-E52 VanDerWaalsContact NE2-CG 3.35Å; H50-E52 WeakPolarHBondContact NE2-CG 3.15Å; H50-E52 IonicContact NE2-OE1 2.75Å; E52-F54 HydrophobicContact CB-CD2 4.22Å; E52-F54 HydrophobicContact CB-CE2 3.64Å; E52-F54 HydrophobicContact CG-CE2 3.85Å; E52-F54 HydrophobicContact CG-CZ 4.41Å; E52-L82 CarbonylContact C-O 3.52Å; E52-L82 WeakPolarHBondContact CA-O 3.32Å; E52-Y130 WeakPolarHBondContact O-CA 3.36Å; E52-W131 HydrophobicContact CB-CD2 4.3Å; E52-W131 HydrophobicContact CB-CZ2 3.94Å; E52-W131 PolarHBondContact N-O 3.14Å; E52-W131 PolarHBondContact O-N 2.74Å; E52-W131 PolarHBondContact OE2-NE1 3.38Å
53G96.1Very high94.3Very high0 Ų041.1 Ų41.10%019%0.194CC..EExtended strand (participates in β ladder)trans-145.1120.8176.700000110.2Y81 L82 R129 Y130G53-Y81 PolarHBondContact O-N 3.06Å; G53-L82 PolarHBondContact N-O 2.78Å; G53-L82 PolarHBondContact O-N 3.25Å; G53-R129 WeakPolarHBondContact CA-O 3.35Å; G53-Y130 VanDerWaalsContact CA-CD1 3.42Å
54F96.3Very high93.7Very high13 Ų1340.4 Ų40.46%0.05720%0.204CC..EExtended strand (participates in β ladder)trans-136.1139.3-174.4-62.1-88.1000111.5E52 K56 E78 V79 E80 V128 R129 W131E52-F54 HydrophobicContact CB-CD2 4.22Å; E52-F54 HydrophobicContact CB-CE2 3.64Å; E52-F54 HydrophobicContact CG-CE2 3.85Å; E52-F54 HydrophobicContact CG-CZ 4.41Å; F54-K56 HydrophobicContact CB-CD 4.49Å; F54-K56 HydrophobicContact CB-CG 4.05Å; F54-E78 HydrophobicContact CD1-CG 3.87Å; F54-E78 WeakPolarHBondContact CD1-OE1 3.41Å; F54-V79 CarbonylContact C-O 3.53Å; F54-V79 VanDerWaalsContact CA-O 3.31Å; F54-V79 WeakPolarHBondContact CA-O 3.39Å; F54-E80 HydrophobicContact CD1-CB 3.82Å; F54-E80 HydrophobicContact CD1-CG 4.05Å; F54-E80 HydrophobicContact CE1-CB 3.61Å; F54-E80 HydrophobicContact CE1-CG 3.54Å; F54-E80 WeakPolarHBondContact CE1-OE2 3.31Å; F54-E80 HydrophobicContact CZ-CG 4.08Å; F54-E80 WeakPolarHBondContact CZ-OE2 3.38Å; F54-V128 WeakPolarHBondContact O-CA 3.41Å; F54-R129 PolarHBondContact N-O 2.86Å; F54-R129 PolarHBondContact O-N 2.94Å; F54-W131 AromaticContact CD2-CH2 3.49Å; F54-W131 HydrophobicContact CD2-CH2 3.49Å; F54-W131 VanDerWaalsContact CD2-CH2 3.49Å; F54-W131 AromaticContact CD2-CZ2 3.74Å; F54-W131 HydrophobicContact CD2-CZ2 3.74Å; F54-W131 HydrophobicContact CD2-CZ3 4.33Å; F54-W131 HydrophobicContact CE2-CH2 4.16Å; F54-W131 AromaticContact CE2-CZ2 3.93Å; F54-W131 HydrophobicContact CE2-CZ2 3.93Å; F54-W131 HydrophobicContact CG-CH2 4.45Å
55A97.3Very high92.6Very high0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-87.5133.4152.800000108.6E78 V79 Y81 S127 V128 I276 I277A55-E78 WeakPolarHBondContact O-CA 3.22Å; A55-V79 PolarHBondContact N-O 2.9Å; A55-V79 PolarHBondContact O-N 3.29Å; A55-Y81 HydrophobicContact CB-CD2 4.24Å; A55-Y81 HydrophobicContact CB-CE2 3.64Å; A55-S127 CarbonylContact C-O 3.48Å; A55-S127 WeakPolarHBondContact CA-O 3.28Å; A55-V128 HydrophobicContact CB-CG2 3.93Å; A55-I276 HydrophobicContact CB-CD1 3.78Å; A55-I276 HydrophobicContact CB-CG1 3.9Å; A55-I276 WeakPolarHBondContact O-CD1 3.26Å; A55-I277 HydrophobicContact CB-CD1 4.32Å
56K97.6Very high91.5Very high76 Ų7642.8 Ų42.833%0.3324%0.241SC..EExtended strand (participates in β ladder)trans-133132.2176.7-57.3-169.9-173.7-138.10108.8F54 E78 G126 S127F54-K56 HydrophobicContact CB-CD 4.49Å; F54-K56 HydrophobicContact CB-CG 4.05Å; K56-E78 HydrophobicContact CD-CG 4.48Å; K56-E78 WeakPolarHBondContact CD-OE2 3.29Å; K56-E78 VanDerWaalsContact CE-CD 3.47Å; K56-E78 WeakPolarHBondContact CE-OE2 3.24Å; K56-E78 HydrophobicContact CG-CB 4.47Å; K56-E78 HydrophobicContact CG-CG 4.01Å; K56-E78 IonicContact NZ-OE1 2.68Å; K56-E78 PolarHBondContact NZ-OE1 3.4Å; K56-E78 IonicContact NZ-OE2 3.37Å; K56-E78 PolarHBondContact NZ-OE2 3.21Å; K56-G126 CarbonylContact O-C 3.55Å; K56-G126 WeakPolarHBondContact O-CA 3.46Å; K56-S127 PolarHBondContact N-O 2.79Å; K56-S127 PolarHBondContact O-N 3.2Å
57V97.9Very high90.3Very high5 Ų549 Ų493%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-119.7143.4170.8-62.80000110.2W59 S76 D77 H125 F228 L229 A230 I276 I277V57-W59 HydrophobicContact CB-CZ3 4.14Å; V57-W59 HydrophobicContact CG2-CZ3 4.12Å; V57-S76 VanDerWaalsContact O-CA 3.29Å; V57-S76 WeakPolarHBondContact O-CA 3.42Å; V57-D77 HydrophobicContact CG2-CB 3.67Å; V57-D77 PolarHBondContact N-O 2.67Å; V57-D77 PolarHBondContact O-N 2.82Å; V57-H125 CarbonylContact C-O 3.43Å; V57-H125 VanDerWaalsContact CA-O 3.27Å; V57-H125 WeakPolarHBondContact CA-O 3.32Å; V57-H125 WeakPolarHBondContact CB-O 3.48Å; V57-F228 HydrophobicContact CG1-CB 4.14Å; V57-F228 HydrophobicContact CG1-CD1 3.96Å; V57-L229 WeakPolarHBondContact CG2-O 2.99Å; V57-A230 HydrophobicContact CG2-CB 3.84Å; V57-I276 HydrophobicContact CG1-CB 4.3Å; V57-I276 HydrophobicContact CG1-CD1 4.14Å; V57-I276 HydrophobicContact CG1-CG1 4.31Å; V57-I276 HydrophobicContact CG2-CB 4.36Å; V57-I276 HydrophobicContact CG2-CD1 4.18Å; V57-I277 HydrophobicContact CG1-CD1 3.85Å; V57-I277 HydrophobicContact CG1-CG1 3.4Å; V57-I277 VanDerWaalsContact CG1-CG1 3.4Å
58Y96.5Very high88.9Confident132 Ų13254.4 Ų54.452%0.51832%0.322SS..EExtended strand (participates in β ladder)trans-154.3130.6177.9176.9-98.9000111.2T60 Y75 H125Y58-T60 HydrophobicContact CE1-CG2 4.06Å; Y58-T60 HydrophobicContact CE2-CG2 4.42Å; Y58-T60 WeakPolarHBondContact OH-CG2 3.42Å; Y58-Y75 VanDerWaalsContact CA-O 3.3Å; Y58-Y75 WeakPolarHBondContact CA-O 3.46Å; Y58-H125 PolarHBondContact N-O 3.03Å
59W96Very high87.5Confident7 Ų754.8 Ų54.83%0.02733%0.332CS..EExtended strand (participates in β ladder)trans-154.3163.5165.468.194.1000111.4V57 Y75 H125 F228 A230 T233 K235V57-W59 HydrophobicContact CB-CZ3 4.14Å; V57-W59 HydrophobicContact CG2-CZ3 4.12Å; W59-Y75 AromaticContact CD1-CD2 3.75Å; W59-Y75 VanDerWaalsContact CE2-CB 3.41Å; W59-Y75 AromaticContact CE2-CD2 3.96Å; W59-Y75 AromaticContact CE2-CG 3.76Å; W59-Y75 HydrophobicContact CZ2-CD1 4.43Å; W59-Y75 AromaticContact CZ2-CG 3.99Å; W59-Y75 HydrophobicContact CZ2-CG 3.99Å; W59-Y75 PolarHBondContact N-O 3.34Å; W59-Y75 AromaticContact NE1-CD2 3.3Å; W59-Y75 VanDerWaalsContact NE1-CD2 3.3Å; W59-Y75 AromaticContact NE1-CG 3.6Å; W59-Y75 PolarHBondContact O-N 2.79Å; W59-H125 HydrophobicContact CB-CB 4.43Å; W59-H125 HydrophobicContact CE3-CB 4.42Å; W59-F228 HydrophobicContact CE3-CB 4.41Å; W59-F228 HydrophobicContact CZ3-CB 3.92Å; W59-A230 HydrophobicContact CH2-CB 3.36Å; W59-A230 HydrophobicContact CZ2-CB 4.17Å; W59-A230 HydrophobicContact CZ3-CB 3.56Å; W59-T233 WeakPolarHBondContact CZ2-OG1 3.2Å; W59-K235 HydrophobicContact CD2-CB 4.09Å; W59-K235 HydrophobicContact CE3-CB 4.44Å; W59-K235 HydrophobicContact CH2-CB 4.44Å; W59-K235 HydrophobicContact CZ2-CB 4.15Å
60T93.3Very high86.5Confident69 Ų6958.7 Ų58.742%0.42336%0.364SS..EExtended strand (participates in β ladder)trans-120.2146.1177.160.70000110.2Y58 T72 Q73 N74Y58-T60 HydrophobicContact CE1-CG2 4.06Å; Y58-T60 HydrophobicContact CE2-CG2 4.42Å; Y58-T60 WeakPolarHBondContact OH-CG2 3.42Å; T60-T72 HydrophobicContact CG2-CG2 4.17Å; T60-Q73 CarbonylContact C-O 3.57Å; T60-Q73 WeakPolarHBondContact CA-O 3.32Å; T60-N74 WeakPolarHBondContact CG2-OD1 3.35Å
61E90.9Very high85.8Confident34 Ų3464.1 Ų64.116%0.15939%0.385CS..EExtended strand (participates in β ladder)trans-129.1126.6171.9-60.5-164.7151.900109.8R63 Q73 Y75 K235E61-R63 PolarHBondContact O-N 3.35Å; E61-R63 IonicContact OE2-CZ 3.3Å; E61-R63 IonicContact OE2-NE 3.56Å; E61-R63 IonicContact OE2-NH2 2.65Å; E61-R63 PolarHBondContact OE2-NH2 2.76Å; E61-Q73 PolarHBondContact N-O 3.34Å; E61-Q73 PolarHBondContact O-N 2.78Å; E61-Y75 HydrophobicContact CB-CE2 4.12Å; E61-Y75 HydrophobicContact CG-CD2 4.26Å; E61-Y75 HydrophobicContact CG-CE2 3.88Å; E61-K235 IonicContact OE1-NZ 3.1Å; E61-K235 PolarHBondContact OE1-NZ 3.4Å
62S86.9Confident85.3Confident98 Ų9868 Ų6869%0.68541%0.409SS*.EExtended strand (participates in β ladder)trans-78.1120.3170.8-55.30000109
63R81.3Confident85Confident116 Ų11670.1 Ų70.144%0.43842%0.419SS..EExtended strand (participates in β ladder)trans-111.3129.8175.2-65.2-72.6179.1165.2-4.9108.3E61 A70 Y71E61-R63 PolarHBondContact O-N 3.35Å; E61-R63 IonicContact OE2-CZ 3.3Å; E61-R63 IonicContact OE2-NE 3.56Å; E61-R63 IonicContact OE2-NH2 2.65Å; E61-R63 PolarHBondContact OE2-NH2 2.76Å; R63-A70 CarbonylContact O-C 3.59Å; R63-A70 WeakPolarHBondContact O-CA 3.38Å; R63-Y71 HydrophobicContact CB-CD1 4.42Å; R63-Y71 HydrophobicContact CB-CD2 4.48Å; R63-Y71 HydrophobicContact CB-CE1 3.94Å; R63-Y71 HydrophobicContact CB-CE2 4Å; R63-Y71 HydrophobicContact CG-CE2 4.39Å; R63-Y71 PolarHBondContact N-O 2.84Å; R63-Y71 PolarHBondContact O-N 3.31Å
64S78.4Confident84.9Confident99 Ų9973.9 Ų73.969%0.69244%0.439SS*.EExtended strand (participates in β ladder)trans-97.4118.4170.753.70000109.5
65A67.5Low84.8Confident61 Ų6173.9 Ų73.950%0.50444%0.439SS..  trans-99.177170.200000109T69 Y71A65-T69 PolarHBondContact N-O 2.92Å; A65-T69 PolarHBondContact O-OG1 3.29Å; A65-Y71 HydrophobicContact CB-CE1 4.13Å
66G69.7Low84.7Confident58 Ų5876.2 Ų76.260%0.59846%0.455SS*.SBendtrans83.5-163.4179.900000114.8S68G66-S68 VanDerWaalsContact C-N 3.31Å; G66-S68 PolarHBondContact O-N 2.91Å
67S68.6Low84.7Confident137 Ų13775.8 Ų75.896%0.95846%0.456SS*.SBendtrans-71.2-10.1-162.8-172.40000116.1
68S66.8Low84.6Confident114 Ų11480 Ų8080%0.79748%0.476SS*.SBendtrans-144.7-1.8-170-1680000116.7G66G66-S68 VanDerWaalsContact C-N 3.31Å; G66-S68 PolarHBondContact O-N 2.91Å
69T66.8Low84.6Confident87 Ų8774.7 Ų74.753%0.53446%0.457SS..  trans-129105.5-179.853.60000111.3A65A65-T69 PolarHBondContact N-O 2.92Å; A65-T69 PolarHBondContact O-OG1 3.29Å
70A77.4Confident84.6Confident86 Ų8678.8 Ų78.871%0.71148%0.476SS*.EExtended strand (participates in β ladder)trans-93.5122.8163.700000108.2R63R63-A70 CarbonylContact O-C 3.59Å; R63-A70 WeakPolarHBondContact O-CA 3.38Å
71Y83.7Confident84.6Confident127 Ų12776.9 Ų76.950%0.49846%0.462SS..EExtended strand (participates in β ladder)trans-116147.2169.768.8-88.1000109.9R63 A65 Q73R63-Y71 HydrophobicContact CB-CD1 4.42Å; R63-Y71 HydrophobicContact CB-CD2 4.48Å; R63-Y71 HydrophobicContact CB-CE1 3.94Å; R63-Y71 HydrophobicContact CB-CE2 4Å; R63-Y71 HydrophobicContact CG-CE2 4.39Å; R63-Y71 PolarHBondContact N-O 2.84Å; R63-Y71 PolarHBondContact O-N 3.31Å; A65-Y71 HydrophobicContact CB-CE1 4.13Å; Y71-Q73 HydrophobicContact CE2-CB 4.31Å
72T86.8Confident84.8Confident82 Ų8275.4 Ų75.450%0.50346%0.455SS..EExtended strand (participates in β ladder)trans-96.3118.5177.4-60.40000108.8T60T60-T72 HydrophobicContact CG2-CG2 4.17Å
73Q89.4Confident85.2Confident71 Ų7173.7 Ų73.733%0.33244%0.438SS..EExtended strand (participates in β ladder)trans-91.2124.9174.6-168.4166.111.900109.5T60 E61 Y71 Y75T60-Q73 CarbonylContact C-O 3.57Å; T60-Q73 WeakPolarHBondContact CA-O 3.32Å; E61-Q73 PolarHBondContact N-O 3.34Å; E61-Q73 PolarHBondContact O-N 2.78Å; Y71-Q73 HydrophobicContact CE2-CB 4.31Å; Q73-Y75 HydrophobicContact CB-CE2 4.06Å; Q73-Y75 HydrophobicContact CG-CD2 4.5Å; Q73-Y75 HydrophobicContact CG-CE1 4.35Å; Q73-Y75 HydrophobicContact CG-CE2 3.79Å; Q73-Y75 PolarHBondContact NE2-OH 3.1Å; Q73-Y75 PolarHBondContact OE1-OH 3.22Å
74N93.1Very high85.9Confident79 Ų7974.6 Ų74.642%0.42244%0.441SS..EExtended strand (participates in β ladder)trans-98.1129.6179.7-63.7-19.3000110.1T60T60-N74 WeakPolarHBondContact CG2-OD1 3.35Å
75Y94.8Very high86.7Confident13 Ų1378.8 Ų78.85%0.05144%0.442CS..EExtended strand (participates in β ladder)trans-114.9123.3175.1-63.1-84000108.4Y58 W59 E61 Q73 T233Y58-Y75 VanDerWaalsContact CA-O 3.3Å; Y58-Y75 WeakPolarHBondContact CA-O 3.46Å; W59-Y75 AromaticContact CD1-CD2 3.75Å; W59-Y75 VanDerWaalsContact CE2-CB 3.41Å; W59-Y75 AromaticContact CE2-CD2 3.96Å; W59-Y75 AromaticContact CE2-CG 3.76Å; W59-Y75 HydrophobicContact CZ2-CD1 4.43Å; W59-Y75 AromaticContact CZ2-CG 3.99Å; W59-Y75 HydrophobicContact CZ2-CG 3.99Å; W59-Y75 PolarHBondContact N-O 3.34Å; W59-Y75 AromaticContact NE1-CD2 3.3Å; W59-Y75 VanDerWaalsContact NE1-CD2 3.3Å; W59-Y75 AromaticContact NE1-CG 3.6Å; W59-Y75 PolarHBondContact O-N 2.79Å; E61-Y75 HydrophobicContact CB-CE2 4.12Å; E61-Y75 HydrophobicContact CG-CD2 4.26Å; E61-Y75 HydrophobicContact CG-CE2 3.88Å; Q73-Y75 HydrophobicContact CB-CE2 4.06Å; Q73-Y75 HydrophobicContact CG-CD2 4.5Å; Q73-Y75 HydrophobicContact CG-CE1 4.35Å; Q73-Y75 HydrophobicContact CG-CE2 3.79Å; Q73-Y75 PolarHBondContact NE2-OH 3.1Å; Q73-Y75 PolarHBondContact OE1-OH 3.22Å; Y75-T233 HydrophobicContact CD1-CG2 4.23Å; Y75-T233 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T233 HydrophobicContact CE1-CG2 3.57Å; Y75-T233 VanDerWaalsContact CE1-OG1 3.26Å; Y75-T233 WeakPolarHBondContact CE1-OG1 3.02Å
76S96.1Very high88.1Confident49 Ų4979 Ų7934%0.34343%0.432SS..EExtended strand (participates in β ladder)trans-148.1139.6-179.565.50000110.1V57V57-S76 VanDerWaalsContact O-CA 3.29Å; V57-S76 WeakPolarHBondContact O-CA 3.42Å
77D97.1Very high89.3Confident67 Ų6780.1 Ų80.136%0.35843%0.427SS..EExtended strand (participates in β ladder)trans-148.5152.7172.4-144.5-20.4000109.9V57 A230 I276V57-D77 HydrophobicContact CG2-CB 3.67Å; V57-D77 PolarHBondContact N-O 2.67Å; V57-D77 PolarHBondContact O-N 2.82Å; D77-A230 HydrophobicContact CB-CB 3.92Å; D77-I276 HydrophobicContact CB-CG2 4.13Å
78E96.8Very high90.6Very high94 Ų9474.9 Ų74.944%0.43939%0.389SS..EExtended strand (participates in β ladder)trans-143.8131.5-175.1177.3165.2137.300110.4F54 A55 K56F54-E78 HydrophobicContact CD1-CG 3.87Å; F54-E78 WeakPolarHBondContact CD1-OE1 3.41Å; A55-E78 WeakPolarHBondContact O-CA 3.22Å; K56-E78 HydrophobicContact CD-CG 4.48Å; K56-E78 WeakPolarHBondContact CD-OE2 3.29Å; K56-E78 VanDerWaalsContact CE-CD 3.47Å; K56-E78 WeakPolarHBondContact CE-OE2 3.24Å; K56-E78 HydrophobicContact CG-CB 4.47Å; K56-E78 HydrophobicContact CG-CG 4.01Å; K56-E78 IonicContact NZ-OE1 2.68Å; K56-E78 PolarHBondContact NZ-OE1 3.4Å; K56-E78 IonicContact NZ-OE2 3.37Å; K56-E78 PolarHBondContact NZ-OE2 3.21Å
79V95.8Very high91.8Very high20 Ų2071 Ų7112%0.12136%0.359CS..EExtended strand (participates in β ladder)trans-126.4123.6177.8-179.70000108.8F54 A55 Y81 R275 I276F54-V79 CarbonylContact C-O 3.53Å; F54-V79 VanDerWaalsContact CA-O 3.31Å; F54-V79 WeakPolarHBondContact CA-O 3.39Å; A55-V79 PolarHBondContact N-O 2.9Å; A55-V79 PolarHBondContact O-N 3.29Å; V79-Y81 HydrophobicContact CB-CE2 4.08Å; V79-Y81 HydrophobicContact CG1-CD2 4.38Å; V79-Y81 HydrophobicContact CG1-CE1 4.12Å; V79-Y81 HydrophobicContact CG1-CE2 3.78Å; V79-R275 HydrophobicContact CG2-CB 4.35Å; V79-I276 HydrophobicContact CB-CD1 4.26Å; V79-I276 HydrophobicContact CB-CG1 4.44Å; V79-I276 HydrophobicContact CG2-CD1 3.86Å; V79-I276 HydrophobicContact CG2-CG1 3.9Å; V79-I276 HydrophobicContact CG2-CG2 3.82Å
80E95.1Very high93Very high94 Ų9470.9 Ų70.944%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-83.8130.3175.6-170.6175.987.400110.2F54 N83F54-E80 HydrophobicContact CD1-CB 3.82Å; F54-E80 HydrophobicContact CD1-CG 4.05Å; F54-E80 HydrophobicContact CE1-CB 3.61Å; F54-E80 HydrophobicContact CE1-CG 3.54Å; F54-E80 WeakPolarHBondContact CE1-OE2 3.31Å; F54-E80 HydrophobicContact CZ-CG 4.08Å; F54-E80 WeakPolarHBondContact CZ-OE2 3.38Å; E80-N83 VanDerWaalsContact CD-CB 3.42Å; E80-N83 HydrophobicContact CG-CB 4.14Å; E80-N83 WeakPolarHBondContact OE1-CB 3.32Å; E80-N83 PolarHBondContact OE1-ND2 2.87Å; E80-N83 PolarHBondContact OE2-ND2 3.27Å
81Y94Very high93.4Very high29 Ų2967.6 Ų67.611%0.11433%0.325CS..EExtended strand (participates in β ladder)trans-117.8-21.9177.2-70.7-69.2000112.8G53 A55 V79 T116 V118 C274 R275G53-Y81 PolarHBondContact O-N 3.06Å; A55-Y81 HydrophobicContact CB-CD2 4.24Å; A55-Y81 HydrophobicContact CB-CE2 3.64Å; V79-Y81 HydrophobicContact CB-CE2 4.08Å; V79-Y81 HydrophobicContact CG1-CD2 4.38Å; V79-Y81 HydrophobicContact CG1-CE1 4.12Å; V79-Y81 HydrophobicContact CG1-CE2 3.78Å; Y81-T116 WeakPolarHBondContact CD1-O 3.4Å; Y81-V118 HydrophobicContact CD1-CG2 3.98Å; Y81-V118 HydrophobicContact CD2-CG2 4.15Å; Y81-V118 HydrophobicContact CE1-CG2 3.52Å; Y81-V118 HydrophobicContact CE2-CB 4.35Å; Y81-V118 HydrophobicContact CE2-CG2 3.74Å; Y81-V118 HydrophobicContact CG-CG2 4.25Å; Y81-C274 WeakPolarHBondContact OH-CA 3.26Å; Y81-C274 PolarHBondContact OH-SG 2.94Å; Y81-R275 PolarHBondContact OH-N 2.88Å
82L94.9Very high93.2Very high3 Ų367.7 Ų67.72%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-141129.8176176.670.7000109.8A51 E52 G53 R84 F110 L112 P113 L117 Y130 F150A51-L82 HydrophobicContact CB-CD2 4.15Å; E52-L82 CarbonylContact C-O 3.52Å; E52-L82 WeakPolarHBondContact CA-O 3.32Å; G53-L82 PolarHBondContact N-O 2.78Å; G53-L82 PolarHBondContact O-N 3.25Å; L82-R84 HydrophobicContact CD1-CG 3.76Å; L82-F110 HydrophobicContact CD2-CE2 4.43Å; L82-L112 HydrophobicContact CD1-CD2 4.13Å; L82-L112 HydrophobicContact CD2-CD2 3.87Å; L82-P113 HydrophobicContact CD1-CG 4.31Å; L82-L117 HydrophobicContact CB-CD2 4.5Å; L82-Y130 HydrophobicContact CB-CD1 4.22Å; L82-Y130 HydrophobicContact CB-CE1 4.15Å; L82-Y130 HydrophobicContact CD2-CD1 4.13Å; L82-F150 HydrophobicContact CD2-CZ 3.93Å
83N95.3Very high91.8Very high61 Ų6171.8 Ų71.833%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-148.593.5173.6-165.7-9.4000109.6H50 A51 E80H50-N83 PolarHBondContact NE2-OD1 2.76Å; A51-N83 WeakPolarHBondContact O-CA 3.27Å; E80-N83 VanDerWaalsContact CD-CB 3.42Å; E80-N83 HydrophobicContact CG-CB 4.14Å; E80-N83 WeakPolarHBondContact OE1-CB 3.32Å; E80-N83 PolarHBondContact OE1-ND2 2.87Å; E80-N83 PolarHBondContact OE2-ND2 3.27Å
84R95.5Very high90.5Very high135 Ų13573.2 Ų73.251%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-123.5131.4179.7-64.5-63.3-176.2-179.1-0.9109.8H50 A51 L82H50-R84 CarbonylContact C-O 3.59Å; H50-R84 WeakPolarHBondContact CA-O 3.33Å; H50-R84 PolarHBondContact CD2-O 2.71Å; A51-R84 HydrophobicContact CB-CB 4.27Å; A51-R84 PolarHBondContact N-O 3.36Å; A51-R84 PolarHBondContact O-N 2.92Å; L82-R84 HydrophobicContact CD1-CG 3.76Å
85R96.6Very high89.7Confident188 Ų18877.3 Ų77.371%0.70939%0.394SS*.EExtended strand (participates in β ladder)trans-121.3135.5-180-64.1-179.3-175.2-164.34.4108.7L49L49-R85 WeakPolarHBondContact O-CA 3.31Å
86E95.8Very high89Confident64 Ų6479.8 Ų79.830%0.29941%0.407SS..EExtended strand (participates in β ladder)trans-136.9145.6179.3-168.1179.5173.300108.7L49 L88L49-E86 HydrophobicContact CB-CB 4.31Å; L49-E86 HydrophobicContact CD2-CB 4.26Å; L49-E86 PolarHBondContact N-O 3.11Å; L49-E86 PolarHBondContact O-N 2.86Å; L49-E86 VanDerWaalsContact O-O 3.1Å; E86-L88 HydrophobicContact CG-CD2 3.98Å
87V95.9Very high88.6Confident82 Ų8279.4 Ų79.450%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-111.2106.2177.7-176.20000106.9K48 Q90K48-V87 HydrophobicContact CG-CG1 4.42Å; K48-V87 HydrophobicContact CG-CG2 4.41Å; V87-Q90 HydrophobicContact CG1-CB 3.65Å; V87-Q90 HydrophobicContact CG1-CG 4.34Å
88L94.3Very high88.3Confident27 Ų2780.4 Ų80.414%0.14141%0.406CS..EExtended strand (participates in β ladder)trans-82.4-27.2-175.7-54.5-177.3000112.1V34 L47 L49 E86 F106 F108V34-L88 HydrophobicContact CB-CD1 4.19Å; V34-L88 HydrophobicContact CG2-CD1 3.43Å; V34-L88 VanDerWaalsContact CG2-CD1 3.43Å; L47-L88 HydrophobicContact CB-CB 4.36Å; L47-L88 HydrophobicContact CD2-CB 4.08Å; L47-L88 HydrophobicContact CD2-CD1 4.1Å; L47-L88 HydrophobicContact CG-CB 4.26Å; L47-L88 HydrophobicContact CG-CD1 4.34Å; L47-L88 PolarHBondContact O-N 3.22Å; L49-L88 HydrophobicContact CB-CD1 4.04Å; L49-L88 HydrophobicContact CB-CD2 4.34Å; L49-L88 HydrophobicContact CB-CG 4.05Å; L49-L88 HydrophobicContact CD1-CD1 4.13Å; E86-L88 HydrophobicContact CG-CD2 3.98Å; L88-F106 HydrophobicContact CB-CB 4.17Å; L88-F106 HydrophobicContact CD1-CB 4.22Å; L88-F108 HydrophobicContact CD2-CB 3.77Å
89L93.2Very high88.1Confident33 Ų3376.7 Ų76.717%0.17339%0.389CS..EExtended strand (participates in β ladder)trans-152.6135.3177.3-168.168000108.7V44 S46 L47 I97 L99 F106V44-L89 HydrophobicContact CB-CD2 4.37Å; V44-L89 HydrophobicContact CG1-CD2 3.91Å; S46-L89 CarbonylContact C-O 3.56Å; S46-L89 WeakPolarHBondContact CA-O 3.3Å; S46-L89 WeakPolarHBondContact CB-O 3.35Å; L47-L89 HydrophobicContact CB-CB 3.69Å; L47-L89 PolarHBondContact N-O 3.03Å; L47-L89 PolarHBondContact O-N 2.87Å; L89-I97 HydrophobicContact CD1-CD1 3.61Å; L89-I97 HydrophobicContact CD2-CD1 3.99Å; L89-I97 HydrophobicContact CD2-CG2 4.18Å; L89-I97 HydrophobicContact CG-CD1 3.5Å; L89-I97 VanDerWaalsContact CG-CD1 3.5Å; L89-L99 HydrophobicContact CD2-CD1 4.46Å; L89-F106 HydrophobicContact CB-CD1 4.4Å; L89-F106 HydrophobicContact CB-CE1 4.2Å; L89-F106 HydrophobicContact CD1-CE1 3.98Å; L89-F106 HydrophobicContact CD2-CE1 3.83Å; L89-F106 HydrophobicContact CD2-CZ 3.95Å; L89-F106 HydrophobicContact CG-CE1 4.22Å
90Q91.2Very high88Confident84 Ų8479.4 Ų79.439%0.39341%0.407SS..EExtended strand (participates in β ladder)trans-147.9127.3178.4-175.858.666.400109.2S46 K48 V87 I97S46-Q90 VanDerWaalsContact CB-OE1 3.27Å; K48-Q90 VanDerWaalsContact CE-OE1 3.26Å; V87-Q90 HydrophobicContact CG1-CB 3.65Å; V87-Q90 HydrophobicContact CG1-CG 4.34Å; Q90-I97 WeakPolarHBondContact O-CD1 3.42Å
91A86.3Confident87.9Confident18 Ų1878 Ų7815%0.14941%0.411CS..  trans-68.6133.4170.200000110E45 E95 I97E45-A91 WeakPolarHBondContact O-CB 3.35Å; E45-A91 PolarHBondContact O-N 3.29Å; A91-E95 VanDerWaalsContact CB-O 3.29Å; A91-E95 WeakPolarHBondContact CB-O 3.44Å; A91-I97 HydrophobicContact CB-CD1 4.36Å; A91-I97 HydrophobicContact CB-CG1 4.2Å
92D79.7Confident87.9Confident128 Ų12877.9 Ų77.968%0.68442%0.42SS*.  trans-91.3136.9174.1-74.1-21.4000110.5A94 E95D92-A94 PolarHBondContact O-N 2.96Å; D92-E95 PolarHBondContact O-N 2.97Å; D92-E95 VanDerWaalsContact O-N 3.09Å
93N57.4Low88Confident169 Ų16985.3 Ų85.390%0.90445%0.447SS*.THydrogen-bonded Turntrans35.654.5164.1-67.9-18000116.6
94A62.7Low88Confident101 Ų10184 Ų8484%0.83544%0.439SS*.THydrogen-bonded Turntrans80-2.317300000118.1D92 L96D92-A94 PolarHBondContact O-N 2.96Å; A94-L96 PolarHBondContact O-N 2.78Å
95E75.4Confident88Confident164 Ų16481.2 Ų81.277%0.76643%0.432SS*.  trans-88.7108.8170.3-75-167.8165.900111.2A91 D92A91-E95 VanDerWaalsContact CB-O 3.29Å; A91-E95 WeakPolarHBondContact CB-O 3.44Å; D92-E95 PolarHBondContact O-N 2.97Å; D92-E95 VanDerWaalsContact O-N 3.09Å
96L80.7Confident88.1Confident65 Ų6573.5 Ų73.534%0.3440%0.404SS..  trans-67.5135.9177.2-67168.9000110.9K43 E45 A94 L98 P139K43-L96 HydrophobicContact CD-CD1 4.07Å; E45-L96 HydrophobicContact CG-CD2 3.52Å; A94-L96 PolarHBondContact O-N 2.78Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-P139 HydrophobicContact CD1-CB 4.21Å; L96-P139 HydrophobicContact CD1-CG 3.49Å; L96-P139 VanDerWaalsContact CD1-CG 3.49Å; L96-P139 HydrophobicContact CD2-CG 3.54Å; L96-P139 HydrophobicContact CG-CG 4.1Å
97I87.3Confident88.1Confident42 Ų4275.3 Ų75.322%0.21542%0.421CS..EExtended strand (participates in β ladder)trans-74.7120.3178.9-60.7168.5000108.8K43 V44 L89 Q90 A91 L99K43-I97 CarbonylContact C-O 3.6Å; K43-I97 WeakPolarHBondContact CA-O 3.47Å; V44-I97 PolarHBondContact N-O 2.82Å; V44-I97 PolarHBondContact O-N 3.15Å; V44-I97 VanDerWaalsContact O-N 3.08Å; L89-I97 HydrophobicContact CD1-CD1 3.61Å; L89-I97 HydrophobicContact CD2-CD1 3.99Å; L89-I97 HydrophobicContact CD2-CG2 4.18Å; L89-I97 HydrophobicContact CG-CD1 3.5Å; L89-I97 VanDerWaalsContact CG-CD1 3.5Å; Q90-I97 WeakPolarHBondContact O-CD1 3.42Å; A91-I97 HydrophobicContact CB-CD1 4.36Å; A91-I97 HydrophobicContact CB-CG1 4.2Å; I97-L99 HydrophobicContact CG2-CD2 3.95Å; I97-L99 HydrophobicContact CG2-CG 4.32Å
98L90.8Very high88.1Confident88 Ų8871.7 Ų71.746%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-93.6108.5176-74.2165.5000109.4E41 K43 L96E41-L98 HydrophobicContact CG-CD2 4.11Å; K43-L98 HydrophobicContact CD-CD2 4.24Å; K43-L98 HydrophobicContact CG-CD2 3.38Å; K43-L98 HydrophobicContact CG-CG 4.39Å; L96-L98 PolarHBondContact O-N 2.86Å
99L91.9Very high88.3Confident15 Ų1573.6 Ų73.68%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-93.6123.3173.3-63.2-177.6000109.6L36 L38 E41 C42 V44 L89 I97 F106L36-L99 HydrophobicContact CD2-CD1 3.57Å; L38-L99 HydrophobicContact CD1-CB 3.56Å; L38-L99 HydrophobicContact CD1-CD1 4.28Å; E41-L99 CarbonylContact C-O 3.44Å; E41-L99 VanDerWaalsContact CA-O 3.26Å; E41-L99 WeakPolarHBondContact CA-O 3.21Å; C42-L99 PolarHBondContact N-O 3.36Å; C42-L99 PolarHBondContact O-N 2.8Å; V44-L99 HydrophobicContact CB-CD1 4.43Å; V44-L99 HydrophobicContact CG2-CD1 3.68Å; V44-L99 HydrophobicContact CG2-CG 4.12Å; L89-L99 HydrophobicContact CD2-CD1 4.46Å; I97-L99 HydrophobicContact CG2-CD2 3.95Å; I97-L99 HydrophobicContact CG2-CG 4.32Å; L99-F106 HydrophobicContact CD1-CZ 3.99Å; L99-F106 HydrophobicContact CD2-CZ 4.45Å
100P93.7Very high88.3Confident78 Ų7873.1 Ų73.151%0.50641%0.41SS..PPolyproline II helixtrans-66.7171.4177.726.7-34.5000112.2H104P100-H104 PolarHBondContact O-NE2 2.8Å
101A93.8Very high88.5Confident63 Ų6374.2 Ų74.252%0.52142%0.416SS..SBendtrans-60143.6171.300000110.7
102G93.9Very high88.9Confident28 Ų2873.4 Ų73.429%0.28941%0.409SS..EExtended strand (participates in β ladder)trans120.8-167.9179.500000113.8L38 H104L38-G102 PolarHBondContact N-O 3.37Å; L38-G102 PolarHBondContact O-N 3.03Å; G102-H104 PolarHBondContact O-CD2 3.36Å
103R96Very high89.5Confident158 Ų15868.5 Ų68.560%0.59638%0.384SS*.EExtended strand (participates in β ladder)trans-93.8124.8-174.8-178.3177.3175.1169.6-0.5110.5V35 L36 E105V35-R103 HydrophobicContact CG1-CG 4.03Å; L36-R103 WeakPolarHBondContact O-CA 3.38Å; R103-E105 HydrophobicContact CG-CG 4.4Å; R103-E105 IonicContact CZ-OE1 3.36Å; R103-E105 IonicContact NE-OE1 2.64Å; R103-E105 PolarHBondContact NE-OE1 3.08Å; R103-E105 IonicContact NH2-OE1 3.59Å; R103-E105 PolarHBondContact NH2-OE1 3.48Å
104H95.8Very high90.5Very high33 Ų3365.6 Ų65.615%0.15337%0.368CS..EExtended strand (participates in β ladder)trans-116.4136.3175.7-55.6-85.2000109.2L36 P100 G102 F106L36-H104 HydrophobicContact CB-CB 4.28Å; L36-H104 PolarHBondContact N-O 2.73Å; L36-H104 PolarHBondContact O-N 2.83Å; P100-H104 PolarHBondContact O-NE2 2.8Å; G102-H104 PolarHBondContact O-CD2 3.36Å; H104-F106 HydrophobicContact CB-CE2 3.77Å; H104-F106 HydrophobicContact CB-CZ 4.05Å
105E96.8Very high91Very high78 Ų7868.9 Ų68.936%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-123.8128.4-179.2-56-162.5152.500109.8K33 V34 V35 R103K33-E105 HydrophobicContact CD-CB 4.37Å; K33-E105 HydrophobicContact CD-CG 4.5Å; K33-E105 WeakPolarHBondContact CD-OE2 3.45Å; K33-E105 WeakPolarHBondContact CE-OE2 3.33Å; K33-E105 IonicContact NZ-OE1 3.22Å; K33-E105 PolarHBondContact NZ-OE1 3.22Å; K33-E105 IonicContact NZ-OE2 3.07Å; K33-E105 PolarHBondContact NZ-OE2 3.18Å; V34-E105 WeakPolarHBondContact O-CA 3.39Å; V35-E105 HydrophobicContact CG2-CG 4.46Å; R103-E105 HydrophobicContact CG-CG 4.4Å; R103-E105 IonicContact CZ-OE1 3.36Å; R103-E105 IonicContact NE-OE1 2.64Å; R103-E105 PolarHBondContact NE-OE1 3.08Å; R103-E105 IonicContact NH2-OE1 3.59Å; R103-E105 PolarHBondContact NH2-OE1 3.48Å
106F96.8Very high90.9Very high26 Ų2664.8 Ų64.811%0.11435%0.353CS..EExtended strand (participates in β ladder)trans-118.8102.8179-56.9-86.6000108.5K33 V34 L36 L47 L88 L89 L99 H104K33-F106 CarbonylContact C-O 3.54Å; K33-F106 WeakPolarHBondContact CA-O 3.18Å; V34-F106 HydrophobicContact CB-CB 4.34Å; V34-F106 PolarHBondContact N-O 3.38Å; V34-F106 PolarHBondContact O-N 3.3Å; L36-F106 HydrophobicContact CB-CE2 4.32Å; L47-F106 HydrophobicContact CD2-CB 3.88Å; L47-F106 HydrophobicContact CD2-CD1 4.22Å; L47-F106 HydrophobicContact CD2-CD2 3.38Å; L47-F106 HydrophobicContact CD2-CE2 3.94Å; L47-F106 HydrophobicContact CD2-CG 3.54Å; L88-F106 HydrophobicContact CB-CB 4.17Å; L88-F106 HydrophobicContact CD1-CB 4.22Å; L89-F106 HydrophobicContact CB-CD1 4.4Å; L89-F106 HydrophobicContact CB-CE1 4.2Å; L89-F106 HydrophobicContact CD1-CE1 3.98Å; L89-F106 HydrophobicContact CD2-CE1 3.83Å; L89-F106 HydrophobicContact CD2-CZ 3.95Å; L89-F106 HydrophobicContact CG-CE1 4.22Å; L99-F106 HydrophobicContact CD1-CZ 3.99Å; L99-F106 HydrophobicContact CD2-CZ 4.45Å; H104-F106 HydrophobicContact CB-CE2 3.77Å; H104-F106 HydrophobicContact CB-CZ 4.05Å
107P97.2Very high91.5Very high101 Ų10161.8 Ų61.866%0.65634%0.337SS*.EExtended strand (participates in β ladder)trans-67.6150.6-18029.5-34.1000110.7G32G32-P107 CarbonylContact O-C 3.47Å; G32-P107 VanDerWaalsContact O-CA 3.31Å; G32-P107 WeakPolarHBondContact O-CA 3.27Å
108F96.5Very high91.8Very high7 Ų760.1 Ų60.13%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-139.4150.8172.367.3-95.1000109.6I11 F13 V30 S31 G32 K33 V34 L49 L88 F110I11-F108 HydrophobicContact CG2-CE1 3.88Å; I11-F108 HydrophobicContact CG2-CZ 3.89Å; F13-F108 HydrophobicContact CD1-CE2 4.25Å; F13-F108 AromaticContact CD1-CZ 3.88Å; F13-F108 HydrophobicContact CD1-CZ 3.88Å; F13-F108 HydrophobicContact CE1-CE2 4.11Å; F13-F108 AromaticContact CE1-CZ 3.86Å; F13-F108 HydrophobicContact CE1-CZ 3.86Å; V30-F108 HydrophobicContact CG1-CE2 4.44Å; S31-F108 WeakPolarHBondContact CA-O 3.42Å; G32-F108 VanDerWaalsContact C-CE1 3.41Å; G32-F108 PolarHBondContact N-O 3.09Å; G32-F108 PolarHBondContact O-N 3.09Å; K33-F108 VanDerWaalsContact N-CE1 3.32Å; V34-F108 HydrophobicContact CG2-CD1 4.13Å; V34-F108 HydrophobicContact CG2-CE1 4.4Å; L49-F108 HydrophobicContact CD1-CB 3.59Å; L49-F108 HydrophobicContact CD1-CD1 3.61Å; L49-F108 HydrophobicContact CD1-CD2 3.72Å; L49-F108 HydrophobicContact CD1-CE1 4.19Å; L49-F108 HydrophobicContact CD1-CE2 4.29Å; L49-F108 HydrophobicContact CD1-CG 3.34Å; L88-F108 HydrophobicContact CD2-CB 3.77Å; F108-F110 HydrophobicContact CD2-CD1 4.21Å; F108-F110 HydrophobicContact CD2-CE1 4.01Å; F108-F110 HydrophobicContact CE2-CE1 4.11Å
109S96.4Very high92Very high67 Ų6756.4 Ų56.447%0.46931%0.31SS..EExtended strand (participates in β ladder)trans-156.6127.5175.6-178.70000110.1V29 V30V29-S109 WeakPolarHBondContact CG1-OG 3.43Å; V30-S109 WeakPolarHBondContact O-CA 3.44Å
110F95.1Very high92.2Very high22 Ų2257.1 Ų57.110%0.09632%0.316CS..EExtended strand (participates in β ladder)trans-144146.6174.760.6-90.7000110.9V30 L49 A51 L82 F108 L112 V132V30-F110 HydrophobicContact CB-CD2 4.28Å; V30-F110 HydrophobicContact CB-CE1 4.12Å; V30-F110 HydrophobicContact CB-CE2 3.72Å; V30-F110 HydrophobicContact CB-CZ 3.62Å; V30-F110 HydrophobicContact CG1-CE1 4Å; V30-F110 HydrophobicContact CG1-CE2 4.22Å; V30-F110 HydrophobicContact CG1-CZ 3.61Å; V30-F110 HydrophobicContact CG2-CE2 4.04Å; V30-F110 HydrophobicContact CG2-CZ 4.25Å; V30-F110 PolarHBondContact N-O 2.89Å; V30-F110 PolarHBondContact O-N 2.99Å; L49-F110 HydrophobicContact CD2-CD1 4.4Å; L49-F110 HydrophobicContact CD2-CE1 4.25Å; A51-F110 HydrophobicContact CB-CD2 4.43Å; A51-F110 HydrophobicContact CB-CE1 3.82Å; A51-F110 HydrophobicContact CB-CE2 3.7Å; A51-F110 HydrophobicContact CB-CZ 3.35Å; L82-F110 HydrophobicContact CD2-CE2 4.43Å; F108-F110 HydrophobicContact CD2-CD1 4.21Å; F108-F110 HydrophobicContact CD2-CE1 4.01Å; F108-F110 HydrophobicContact CE2-CE1 4.11Å; F110-L112 HydrophobicContact CE2-CD2 4.14Å; F110-V132 HydrophobicContact CE1-CG2 3.96Å; F110-V132 HydrophobicContact CZ-CG2 3.82Å
111Q94.8Very high92.3Very high107 Ų10754.7 Ų54.750%0.530%0.297SS..EExtended strand (participates in β ladder)trans-87.3137.2176.7-162.1-179.5-1.800111G27 V29G27-Q111 VanDerWaalsContact O-CG 3.22Å; G27-Q111 WeakPolarHBondContact O-CG 3.49Å; G27-Q111 PolarHBondContact O-NE2 3.18Å; V29-Q111 HydrophobicContact CG2-CB 4.42Å; V29-Q111 HydrophobicContact CG2-CG 4.2Å
112L94.4Very high92.4Very high2 Ų256.7 Ų56.71%0.0130%0.296CS..PPolyproline II helixtrans-71.5144.2171-71.3-178.4000110.6F24 S25 G27 D28 V30 L82 F110 L117 F150 V152F24-L112 HydrophobicContact CB-CD1 3.65Å; F24-L112 HydrophobicContact CG-CD1 4.4Å; S25-L112 WeakPolarHBondContact O-CD1 3.42Å; G27-L112 WeakPolarHBondContact CA-O 3.2Å; G27-L112 PolarHBondContact N-O 3.15Å; D28-L112 HydrophobicContact CB-CD1 4.47Å; D28-L112 WeakPolarHBondContact O-CB 3.13Å; D28-L112 PolarHBondContact O-N 3.14Å; V30-L112 HydrophobicContact CG2-CD1 3.92Å; V30-L112 HydrophobicContact CG2-CD2 4.06Å; V30-L112 HydrophobicContact CG2-CG 3.83Å; L82-L112 HydrophobicContact CD1-CD2 4.13Å; L82-L112 HydrophobicContact CD2-CD2 3.87Å; F110-L112 HydrophobicContact CE2-CD2 4.14Å; L112-L117 HydrophobicContact CB-CD1 3.85Å; L112-L117 HydrophobicContact CD1-CD1 3.93Å; L112-L117 HydrophobicContact CD2-CD1 4.15Å; L112-L117 HydrophobicContact CG-CD1 4.18Å; L112-F150 HydrophobicContact CD1-CE2 4.5Å; L112-F150 HydrophobicContact CD2-CE2 4.34Å; L112-F150 HydrophobicContact CD2-CZ 4.35Å; L112-V152 HydrophobicContact CD1-CG2 4.43Å
113P91.4Very high92.5Very high24 Ų2456.4 Ų56.416%0.15629%0.293CS..PPolyproline II helixtrans-57.7144.2174.1-22.132.4000112.4S26 G27 L82 T116 L117S26-P113 WeakPolarHBondContact CA-O 3.29Å; S26-P113 WeakPolarHBondContact CB-O 3.48Å; S26-P113 PolarHBondContact OG-O 3.19Å; G27-P113 PolarHBondContact N-O 3.48Å; L82-P113 HydrophobicContact CD1-CG 4.31Å; P113-T116 VanDerWaalsContact CB-OG1 3.25Å; P113-T116 WeakPolarHBondContact CB-OG1 3.45Å; P113-L117 HydrophobicContact CG-CD2 4.33Å
114D79.9Confident92.4Very high108 Ų10855.9 Ų55.958%0.57830%0.295SS*.SBendtrans-78.6-25.6-174.1-62.5-49.9000115S26 G27S26-D114 WeakPolarHBondContact CB-O 3.48Å; G27-D114 WeakPolarHBondContact CA-OD1 3.41Å
115E72.6Confident92.4Very high171 Ų17155.8 Ų55.880%0.79930%0.295SS*.SBendtrans-127.5-4.3-170.7-65.6-171.8173.300115
116T73.9Confident92.4Very high78 Ų7852.6 Ų52.648%0.47928%0.282SS..  trans-116.310.1-164.967.20000114.7Y81 P113Y81-T116 WeakPolarHBondContact CD1-O 3.4Å; P113-T116 VanDerWaalsContact CB-OG1 3.25Å; P113-T116 WeakPolarHBondContact CB-OG1 3.45Å
117L91.8Very high92.4Very high2 Ų252.3 Ų52.31%0.0128%0.284CS..  trans-92161.7-180-57.6-172.7000112.7S26 L82 L112 P113 Y130 V152S26-L117 WeakPolarHBondContact OG-CB 3.32Å; L82-L117 HydrophobicContact CB-CD2 4.5Å; L112-L117 HydrophobicContact CB-CD1 3.85Å; L112-L117 HydrophobicContact CD1-CD1 3.93Å; L112-L117 HydrophobicContact CD2-CD1 4.15Å; L112-L117 HydrophobicContact CG-CD1 4.18Å; P113-L117 HydrophobicContact CG-CD2 4.33Å; L117-Y130 HydrophobicContact CD2-CE1 3.86Å; L117-V152 HydrophobicContact CB-CG1 4.12Å; L117-V152 HydrophobicContact CD1-CG1 3.95Å
118V94.3Very high92.4Very high6 Ų647.5 Ų47.54%0.03625%0.253CS..  trans-128.4136.4179.5175.70000106.9Y81 S120 V128 Y130 I271 C274Y81-V118 HydrophobicContact CD1-CG2 3.98Å; Y81-V118 HydrophobicContact CD2-CG2 4.15Å; Y81-V118 HydrophobicContact CE1-CG2 3.52Å; Y81-V118 HydrophobicContact CE2-CB 4.35Å; Y81-V118 HydrophobicContact CE2-CG2 3.74Å; Y81-V118 HydrophobicContact CG-CG2 4.25Å; V118-S120 PolarHBondContact O-N 2.76Å; V118-V128 HydrophobicContact CB-CG1 4.1Å; V118-V128 HydrophobicContact CG1-CG1 4.07Å; V118-V128 HydrophobicContact CG1-CG2 4.06Å; V118-Y130 PolarHBondContact N-OH 3Å; V118-Y130 VanDerWaalsContact N-OH 3.07Å; V118-Y130 VanDerWaalsContact O-CE2 3.28Å; V118-Y130 WeakPolarHBondContact O-CE2 3.43Å; V118-Y130 PolarHBondContact O-OH 3.11Å; V118-I271 HydrophobicContact CG1-CG2 3.82Å; V118-C274 HydrophobicContact CG1-CB 3.72Å; V118-C274 HydrophobicContact CG2-CB 3.97Å
119T95.1Very high92.4Very high11 Ų1151.8 Ų51.87%0.06727%0.269CS..  trans-53.2131.6174.2-58.40000111.3V152 E154 P269T119-V152 WeakPolarHBondContact CA-O 3.48Å; T119-E154 VanDerWaalsContact OG1-CB 3.32Å; T119-E154 WeakPolarHBondContact OG1-CB 3.23Å; T119-E154 PolarHBondContact OG1-N 2.6Å; T119-P269 HydrophobicContact CG2-CG 3.76Å
120S95.9Very high92.4Very high29 Ų2948.7 Ų48.720%0.20325%0.247CC..  trans-57.7138.4176.9-60.80000110.4V118 V128 Y130 V152V118-S120 PolarHBondContact O-N 2.76Å; S120-V128 WeakPolarHBondContact CA-O 3.36Å; S120-Y130 WeakPolarHBondContact OG-CD2 3.33Å; S120-V152 WeakPolarHBondContact CB-O 3.21Å; S120-V152 PolarHBondContact N-O 2.85Å; S120-V152 PolarHBondContact OG-N 3.46Å; S120-V152 PolarHBondContact OG-O 2.83Å
121F96.5Very high92.5Very high27 Ų2748.7 Ų48.712%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-152.1141.7-169.1175.1-104.3000111.8S127 V128 Q226 F228 I271 I277 V279F121-S127 CarbonylContact O-C 3.56Å; F121-S127 WeakPolarHBondContact O-CA 3.25Å; F121-S127 WeakPolarHBondContact O-CB 3.45Å; F121-V128 HydrophobicContact CB-CB 4.23Å; F121-V128 HydrophobicContact CB-CG2 4.13Å; F121-V128 PolarHBondContact N-O 2.87Å; F121-V128 PolarHBondContact O-N 3.44Å; F121-Q226 HydrophobicContact CZ-CG 4.17Å; F121-F228 HydrophobicContact CE1-CE1 4.03Å; F121-F228 HydrophobicContact CE1-CZ 4.27Å; F121-I271 HydrophobicContact CB-CD1 3.46Å; F121-I271 VanDerWaalsContact CB-CD1 3.46Å; F121-I271 HydrophobicContact CD1-CD1 4.29Å; F121-I271 HydrophobicContact CD2-CD1 3.74Å; F121-I271 HydrophobicContact CG-CD1 3.55Å; F121-I277 HydrophobicContact CD1-CD1 4.49Å; F121-I277 HydrophobicContact CD1-CG2 3.79Å; F121-I277 HydrophobicContact CE1-CG2 3.83Å; F121-V279 HydrophobicContact CD2-CG2 3.93Å; F121-V279 HydrophobicContact CE1-CG2 4.27Å; F121-V279 HydrophobicContact CE2-CG2 3.51Å; F121-V279 HydrophobicContact CG-CG2 4.47Å; F121-V279 HydrophobicContact CZ-CG2 3.71Å
122E96.1Very high92.6Very high105 Ų10543.6 Ų43.649%0.49122%0.222SC..EExtended strand (participates in β ladder)trans-124.5117.6172.9-67.7-60.4145.800110S127 R129E122-S127 WeakPolarHBondContact OE1-CB 3.12Å; E122-S127 WeakPolarHBondContact OE2-CB 3.41Å; E122-R129 VanDerWaalsContact CD-NH2 3.33Å; E122-R129 VanDerWaalsContact OE1-CG 3.28Å; E122-R129 WeakPolarHBondContact OE1-CG 3.41Å; E122-R129 IonicContact OE1-CZ 3.46Å; E122-R129 IonicContact OE1-NE 2.76Å; E122-R129 PolarHBondContact OE1-NE 3.49Å; E122-R129 IonicContact OE1-NH2 3.34Å; E122-R129 PolarHBondContact OE1-NH2 2.89Å; E122-R129 IonicContact OE2-CZ 2.82Å; E122-R129 IonicContact OE2-NE 3.6Å; E122-R129 IonicContact OE2-NH2 2.82Å; E122-R129 PolarHBondContact OE2-NH2 3.2Å
123G94.5Very high92.7Very high22 Ų2246.2 Ų46.223%0.22723%0.233CC..EExtended strand (participates in β ladder)trans-129.1169.8178.700000111.9H125 G126G123-H125 VanDerWaalsContact C-N 3.28Å; G123-H125 PolarHBondContact O-N 2.85Å; G123-G126 CarbonylContact C-O 3.54Å; G123-G126 VanDerWaalsContact CA-O 3.29Å; G123-G126 WeakPolarHBondContact CA-O 3.36Å; G123-G126 PolarHBondContact N-O 2.91Å; G123-G126 VanDerWaalsContact O-O 3.12Å
124K94.1Very high93Very high147 Ų14745 Ų4564%0.63923%0.226SC*.THydrogen-bonded Turntrans-62.2-35.2-178.1-176.7178.1176.4-178.60113.2K237K124-K237 HydrophobicContact CB-CD 4.28Å
125H95.7Very high93.9Very high32 Ų3242.8 Ų42.815%0.14821%0.211CC..THydrogen-bonded Turntrans-120.112.9-172.4-60.1-60.9000112.8V57 Y58 W59 G123 F228V57-H125 CarbonylContact C-O 3.43Å; V57-H125 VanDerWaalsContact CA-O 3.27Å; V57-H125 WeakPolarHBondContact CA-O 3.32Å; V57-H125 WeakPolarHBondContact CB-O 3.48Å; Y58-H125 PolarHBondContact N-O 3.03Å; W59-H125 HydrophobicContact CB-CB 4.43Å; W59-H125 HydrophobicContact CE3-CB 4.42Å; G123-H125 VanDerWaalsContact C-N 3.28Å; G123-H125 PolarHBondContact O-N 2.85Å; H125-F228 HydrophobicContact CB-CB 4.25Å; H125-F228 HydrophobicContact CB-CD1 3.99Å; H125-F228 HydrophobicContact CB-CD2 3.7Å; H125-F228 HydrophobicContact CB-CE1 4.25Å; H125-F228 HydrophobicContact CB-CE2 3.99Å; H125-F228 HydrophobicContact CB-CG 3.71Å; H125-F228 HydrophobicContact CB-CZ 4.26Å
126G96.4Very high95Very high10 Ų1034.7 Ų34.710%0.10317%0.173CC..EExtended strand (participates in β ladder)trans177.1164.3179.200000113.4K56 G123K56-G126 CarbonylContact O-C 3.55Å; K56-G126 WeakPolarHBondContact O-CA 3.46Å; G123-G126 CarbonylContact C-O 3.54Å; G123-G126 VanDerWaalsContact CA-O 3.29Å; G123-G126 WeakPolarHBondContact CA-O 3.36Å; G123-G126 PolarHBondContact N-O 2.91Å; G123-G126 VanDerWaalsContact O-O 3.12Å
127S97.4Very high95.9Very high20 Ų2033.2 Ų33.214%0.1416%0.161CC..EExtended strand (participates in β ladder)trans-147.9156.7-178.257.60000111A55 K56 F121 E122A55-S127 CarbonylContact C-O 3.48Å; A55-S127 WeakPolarHBondContact CA-O 3.28Å; K56-S127 PolarHBondContact N-O 2.79Å; K56-S127 PolarHBondContact O-N 3.2Å; F121-S127 CarbonylContact O-C 3.56Å; F121-S127 WeakPolarHBondContact O-CA 3.25Å; F121-S127 WeakPolarHBondContact O-CB 3.45Å; E122-S127 WeakPolarHBondContact OE1-CB 3.12Å; E122-S127 WeakPolarHBondContact OE2-CB 3.41Å
128V97.4Very high95.8Very high1 Ų135.1 Ų35.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-120114.6168.2-174.30000106.6F54 A55 V118 S120 F121 Y130 I277F54-V128 WeakPolarHBondContact O-CA 3.41Å; A55-V128 HydrophobicContact CB-CG2 3.93Å; V118-V128 HydrophobicContact CB-CG1 4.1Å; V118-V128 HydrophobicContact CG1-CG1 4.07Å; V118-V128 HydrophobicContact CG1-CG2 4.06Å; S120-V128 WeakPolarHBondContact CA-O 3.36Å; F121-V128 HydrophobicContact CB-CB 4.23Å; F121-V128 HydrophobicContact CB-CG2 4.13Å; F121-V128 PolarHBondContact N-O 2.87Å; F121-V128 PolarHBondContact O-N 3.44Å; V128-Y130 HydrophobicContact CG1-CE2 3.76Å; V128-I277 HydrophobicContact CG2-CD1 3.92Å
129R96.8Very high95.5Very high97 Ų9735.9 Ų35.937%0.36617%0.173SC..EExtended strand (participates in β ladder)trans-133.8142.9-172.6-69.1-176.8-170.8-172.10.5111.3G53 F54 E122 W131G53-R129 WeakPolarHBondContact CA-O 3.35Å; F54-R129 PolarHBondContact N-O 2.86Å; F54-R129 PolarHBondContact O-N 2.94Å; E122-R129 VanDerWaalsContact CD-NH2 3.33Å; E122-R129 VanDerWaalsContact OE1-CG 3.28Å; E122-R129 WeakPolarHBondContact OE1-CG 3.41Å; E122-R129 IonicContact OE1-CZ 3.46Å; E122-R129 IonicContact OE1-NE 2.76Å; E122-R129 PolarHBondContact OE1-NE 3.49Å; E122-R129 IonicContact OE1-NH2 3.34Å; E122-R129 PolarHBondContact OE1-NH2 2.89Å; E122-R129 IonicContact OE2-CZ 2.82Å; E122-R129 IonicContact OE2-NE 3.6Å; E122-R129 IonicContact OE2-NH2 2.82Å; E122-R129 PolarHBondContact OE2-NH2 3.2Å; R129-W131 HydrophobicContact CB-CE3 3.98Å; R129-W131 HydrophobicContact CB-CZ3 3.71Å; R129-W131 WeakPolarHBondContact O-CZ3 3.33Å
130Y96.5Very high95Very high2 Ų247.9 Ų47.91%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-124141.5177.6-63.5-92.3000110.8E52 G53 L82 L117 V118 S120 V128 E149 F150 V152E52-Y130 WeakPolarHBondContact O-CA 3.36Å; G53-Y130 VanDerWaalsContact CA-CD1 3.42Å; L82-Y130 HydrophobicContact CB-CD1 4.22Å; L82-Y130 HydrophobicContact CB-CE1 4.15Å; L82-Y130 HydrophobicContact CD2-CD1 4.13Å; L117-Y130 HydrophobicContact CD2-CE1 3.86Å; V118-Y130 PolarHBondContact N-OH 3Å; V118-Y130 VanDerWaalsContact N-OH 3.07Å; V118-Y130 VanDerWaalsContact O-CE2 3.28Å; V118-Y130 WeakPolarHBondContact O-CE2 3.43Å; V118-Y130 PolarHBondContact O-OH 3.11Å; S120-Y130 WeakPolarHBondContact OG-CD2 3.33Å; V128-Y130 HydrophobicContact CG1-CE2 3.76Å; Y130-E149 WeakPolarHBondContact O-CA 3.12Å; Y130-F150 HydrophobicContact CD1-CE2 4.43Å; Y130-F150 HydrophobicContact CD1-CZ 4.48Å; Y130-F150 HydrophobicContact CG-CE2 4.17Å; Y130-F150 HydrophobicContact CG-CZ 4.44Å; Y130-F150 PolarHBondContact O-N 3.11Å; Y130-F150 VanDerWaalsContact O-N 3.15Å; Y130-V152 HydrophobicContact CD1-CG2 3.97Å; Y130-V152 HydrophobicContact CD2-CB 3.79Å; Y130-V152 HydrophobicContact CD2-CG2 3.52Å; Y130-V152 HydrophobicContact CE1-CG2 4.26Å; Y130-V152 HydrophobicContact CE2-CB 3.74Å; Y130-V152 HydrophobicContact CE2-CG1 4.44Å; Y130-V152 HydrophobicContact CE2-CG2 3.84Å; Y130-V152 HydrophobicContact CG-CB 4.37Å; Y130-V152 HydrophobicContact CG-CG2 3.6Å
131W96.4Very high94.6Very high22 Ų2248.6 Ų48.68%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-157.7158.6178.961.383.2000113.4A51 E52 F54 R129 K147 K148 E149A51-W131 WeakPolarHBondContact CA-O 3.39Å; E52-W131 HydrophobicContact CB-CD2 4.3Å; E52-W131 HydrophobicContact CB-CZ2 3.94Å; E52-W131 PolarHBondContact N-O 3.14Å; E52-W131 PolarHBondContact O-N 2.74Å; E52-W131 PolarHBondContact OE2-NE1 3.38Å; F54-W131 AromaticContact CD2-CH2 3.49Å; F54-W131 HydrophobicContact CD2-CH2 3.49Å; F54-W131 VanDerWaalsContact CD2-CH2 3.49Å; F54-W131 AromaticContact CD2-CZ2 3.74Å; F54-W131 HydrophobicContact CD2-CZ2 3.74Å; F54-W131 HydrophobicContact CD2-CZ3 4.33Å; F54-W131 HydrophobicContact CE2-CH2 4.16Å; F54-W131 AromaticContact CE2-CZ2 3.93Å; F54-W131 HydrophobicContact CE2-CZ2 3.93Å; F54-W131 HydrophobicContact CG-CH2 4.45Å; R129-W131 HydrophobicContact CB-CE3 3.98Å; R129-W131 HydrophobicContact CB-CZ3 3.71Å; R129-W131 WeakPolarHBondContact O-CZ3 3.33Å; W131-K147 HydrophobicContact CB-CD 4.07Å; W131-K147 VanDerWaalsContact CB-CE 3.44Å; W131-K147 HydrophobicContact CB-CG 3.83Å; W131-K147 HydrophobicContact CD2-CD 3.99Å; W131-K147 HydrophobicContact CG-CD 3.61Å; W131-K147 HydrophobicContact CG-CG 3.78Å; W131-K148 CarbonylContact C-O 3.55Å; W131-K148 VanDerWaalsContact CA-O 3.27Å; W131-K148 WeakPolarHBondContact CA-O 3.45Å; W131-K148 WeakPolarHBondContact CB-O 3.37Å; W131-E149 HydrophobicContact CB-CG 4.13Å
132V96.9Very high94.3Very high0 Ų052.9 Ų52.90%025%0.254CS..EExtended strand (participates in β ladder)trans-102.9130.6165-179.90000108.6I11 F13 L49 A51 F110 V134 K147 K148 F150I11-V132 HydrophobicContact CD1-CB 4.31Å; I11-V132 HydrophobicContact CD1-CG1 4.11Å; I11-V132 WeakPolarHBondContact CD1-O 3.45Å; F13-V132 HydrophobicContact CE1-CB 4.44Å; F13-V132 HydrophobicContact CE1-CG2 3.79Å; F13-V132 HydrophobicContact CZ-CB 4.23Å; F13-V132 HydrophobicContact CZ-CG2 3.87Å; L49-V132 HydrophobicContact CD1-CG1 3.54Å; L49-V132 HydrophobicContact CD2-CG1 3.96Å; L49-V132 HydrophobicContact CG-CG1 3.55Å; A51-V132 HydrophobicContact CB-CG2 4.25Å; F110-V132 HydrophobicContact CE1-CG2 3.96Å; F110-V132 HydrophobicContact CZ-CG2 3.82Å; V132-V134 HydrophobicContact CG1-CG2 4.27Å; V132-K147 CarbonylContact O-C 3.47Å; V132-K147 VanDerWaalsContact O-CA 3.32Å; V132-K147 WeakPolarHBondContact O-CA 3.46Å; V132-K148 PolarHBondContact N-O 2.89Å; V132-K148 PolarHBondContact O-N 2.9Å; V132-F150 HydrophobicContact CG2-CD1 4.3Å; V132-F150 HydrophobicContact CG2-CE1 3.97Å
133K97.7Very high94.2Very high56 Ų5650.6 Ų50.624%0.24325%0.246CC..EExtended strand (participates in β ladder)trans-120.2127.2177.3-177.7179.3-172.8169.50109.9L49 H50 I146L49-K133 CarbonylContact C-O 3.57Å; H50-K133 PolarHBondContact N-O 3.07Å; H50-K133 WeakPolarHBondContact O-CB 3.41Å; H50-K133 PolarHBondContact O-N 2.85Å; K133-I146 CarbonylContact C-O 3.53Å; K133-I146 VanDerWaalsContact CA-O 3.31Å; K133-I146 WeakPolarHBondContact CA-O 3.44Å
134V97.9Very high94.2Very high0 Ų056 Ų560%026%0.26CS..EExtended strand (participates in β ladder)trans-115.3133.9179.1-174.80000109.8F9 I11 V34 L47 K48 L49 V132 K145 I146F9-V134 HydrophobicContact CE2-CG1 4.13Å; F9-V134 HydrophobicContact CZ-CB 4.2Å; F9-V134 HydrophobicContact CZ-CG1 3.88Å; I11-V134 HydrophobicContact CD1-CB 4.43Å; I11-V134 HydrophobicContact CD1-CG2 3.71Å; I11-V134 HydrophobicContact CG1-CG2 3.9Å; V34-V134 HydrophobicContact CG1-CG1 4.09Å; V34-V134 HydrophobicContact CG2-CB 4.47Å; V34-V134 HydrophobicContact CG2-CG1 4.14Å; V34-V134 HydrophobicContact CG2-CG2 3.68Å; L47-V134 HydrophobicContact CD1-CG1 3.49Å; L47-V134 VanDerWaalsContact CD1-CG1 3.49Å; L47-V134 HydrophobicContact CG-CG1 3.95Å; K48-V134 CarbonylContact O-C 3.6Å; K48-V134 WeakPolarHBondContact O-CA 3.26Å; L49-V134 HydrophobicContact CB-CG2 4.3Å; L49-V134 HydrophobicContact CD1-CG2 4.17Å; L49-V134 HydrophobicContact CG-CG2 4.2Å; V132-V134 HydrophobicContact CG1-CG2 4.27Å; V134-K145 VanDerWaalsContact O-CA 3.3Å; V134-K145 WeakPolarHBondContact O-CA 3.24Å; V134-I146 HydrophobicContact CB-CD1 4.42Å; V134-I146 HydrophobicContact CB-CG1 3.95Å; V134-I146 PolarHBondContact N-O 2.87Å; V134-I146 PolarHBondContact O-N 3.15Å
135K97.1Very high94.2Very high60 Ų6055 Ų5526%0.26126%0.256SS..EExtended strand (participates in β ladder)trans-114.7119.4178.7-59.5179.8-174.5161.40108.9K48 V143 R144 K145K48-K135 PolarHBondContact N-O 3Å; K48-K135 PolarHBondContact O-N 2.83Å; K135-V143 HydrophobicContact CB-CG1 3.92Å; K135-V143 HydrophobicContact CG-CG1 4.5Å; K135-R144 WeakPolarHBondContact CA-O 3.17Å; K135-K145 HydrophobicContact CG-CG 4.16Å
136L95.8Very high94.3Very high2 Ų255.1 Ų55.11%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-99.5112.7173.6174.268.2000109.1L6 F9 L36 V44 L47 R138 R144L6-L136 HydrophobicContact CD2-CD2 4.19Å; F9-L136 HydrophobicContact CE1-CB 3.99Å; F9-L136 HydrophobicContact CE2-CB 4.29Å; F9-L136 HydrophobicContact CZ-CB 3.71Å; L36-L136 HydrophobicContact CD1-CD2 3.74Å; V44-L136 HydrophobicContact CG1-CD1 3.62Å; V44-L136 HydrophobicContact CG2-CD1 4.17Å; L47-L136 HydrophobicContact CD1-CB 4.03Å; L47-L136 HydrophobicContact CD1-CD1 3.99Å; L136-R138 HydrophobicContact CD1-CG 4.37Å; L136-R138 HydrophobicContact CD2-CG 4.41Å; L136-R138 HydrophobicContact CG-CG 4.09Å; L136-R144 HydrophobicContact CB-CB 4.27Å; L136-R144 PolarHBondContact N-O 2.91Å; L136-R144 PolarHBondContact O-N 3.48Å; L136-R144 VanDerWaalsContact O-N 3.11Å
137H93.1Very high94.2Very high46 Ų4659.3 Ų59.321%0.21327%0.272CS..EExtended strand (participates in β ladder)trans-95.2128.8175.3-68.6-101.3000109.6E45 S46 V143E45-H137 HydrophobicContact CB-CB 4.04Å; E45-H137 PolarHBondContact N-O 2.94Å; S46-H137 PolarHBondContact N-O 3.04Å; S46-H137 PolarHBondContact O-N 2.89Å; S46-H137 WeakPolarHBondContact OG-CB 3.5Å; S46-H137 PolarHBondContact OG-CD2 3.48Å; H137-V143 VanDerWaalsContact CE1-CG2 3.47Å; H137-V143 WeakPolarHBondContact CE1-CG2 3.07Å; H137-V143 WeakPolarHBondContact ND1-CG2 3.48Å
138R90.8Very high94.1Very high42 Ų4261.9 Ų61.916%0.15828%0.281CS..  trans-135146.8178.4-65.5-177.1-62.7163.76.3109.2C42 K43 L136 W140 A141C42-R138 VanDerWaalsContact SG-CD 3.5Å; K43-R138 WeakPolarHBondContact O-CG 3.31Å; L136-R138 HydrophobicContact CD1-CG 4.37Å; L136-R138 HydrophobicContact CD2-CG 4.41Å; L136-R138 HydrophobicContact CG-CG 4.09Å; R138-W140 PolarHBondContact O-N 3.41Å; R138-A141 HydrophobicContact CB-CB 4.08Å; R138-A141 PolarHBondContact O-N 2.76Å
139P88Confident94Very high22 Ų2266 Ų6614%0.14330%0.3CS..THydrogen-bonded Turntrans-59.5137.2178-19.931.5000111K43 E45 L96 A141K43-P139 HydrophobicContact CB-CG 4Å; K43-P139 WeakPolarHBondContact O-CD 3.48Å; E45-P139 HydrophobicContact CG-CG 3.92Å; E45-P139 WeakPolarHBondContact OE1-CA 3.48Å; L96-P139 HydrophobicContact CD1-CB 4.21Å; L96-P139 HydrophobicContact CD1-CG 3.49Å; L96-P139 VanDerWaalsContact CD1-CG 3.49Å; L96-P139 HydrophobicContact CD2-CG 3.54Å; L96-P139 HydrophobicContact CG-CG 4.1Å; P139-A141 PolarHBondContact O-N 2.74Å
140W84.7Confident93.9Very high263 Ų26361.7 Ų61.7100%0.99628%0.284SS*.THydrogen-bonded Turntrans56.523.7173.9-46.598.7000113.8R138R138-W140 PolarHBondContact O-N 3.41Å
141A87.5Confident93.8Very high44 Ų4463.7 Ų63.736%0.36430%0.296SS..SBendtrans-135.5150.6179.600000111.3R138 P139R138-A141 HydrophobicContact CB-CB 4.08Å; R138-A141 PolarHBondContact O-N 2.76Å; P139-A141 PolarHBondContact O-N 2.74Å
142T90.1Very high93.7Very high118 Ų11862.6 Ų62.672%0.72429%0.293SS*.  trans-66.3141.6174.651.50000111R144T142-R144 PolarHBondContact O-N 3.12Å; T142-R144 VanDerWaalsContact O-N 3.12Å
143V93.9Very high93.5Very high56 Ų5665.4 Ų65.434%0.33931%0.307SS..  trans-60.8115.7179-177.40000109.4K135 H137 K145K135-V143 HydrophobicContact CB-CG1 3.92Å; K135-V143 HydrophobicContact CG-CG1 4.5Å; H137-V143 VanDerWaalsContact CE1-CG2 3.47Å; H137-V143 WeakPolarHBondContact CE1-CG2 3.07Å; H137-V143 WeakPolarHBondContact ND1-CG2 3.48Å; V143-K145 HydrophobicContact CG1-CG 4.19Å
144R93.8Very high93.2Very high137 Ų13764 Ų6452%0.51730%0.301SS..EExtended strand (participates in β ladder)trans-79.7136173.9-74.8-82178.3157.3-1108.5L6 F9 K135 L136 T142L6-R144 HydrophobicContact CD2-CG 4.45Å; F9-R144 HydrophobicContact CD1-CB 4.31Å; F9-R144 HydrophobicContact CE1-CB 4.18Å; K135-R144 WeakPolarHBondContact CA-O 3.17Å; L136-R144 HydrophobicContact CB-CB 4.27Å; L136-R144 PolarHBondContact N-O 2.91Å; L136-R144 PolarHBondContact O-N 3.48Å; L136-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.12Å; T142-R144 VanDerWaalsContact O-N 3.12Å
145K95.5Very high92.9Very high125 Ų12567 Ų6754%0.54332%0.321SS..EExtended strand (participates in β ladder)trans-130.3135.4-177.1-53.2179.6-174.2162.90109.1V134 K135 V143V134-K145 VanDerWaalsContact O-CA 3.3Å; V134-K145 WeakPolarHBondContact O-CA 3.24Å; K135-K145 HydrophobicContact CG-CG 4.16Å; V143-K145 HydrophobicContact CG1-CG 4.19Å
146I96.3Very high92.7Very high35 Ų3565.4 Ų65.418%0.17932%0.315CS..EExtended strand (participates in β ladder)trans-126.8151.1169.657.4177.8000108.6F9 I11 K133 V134F9-I146 HydrophobicContact CB-CG2 4.49Å; F9-I146 HydrophobicContact CD1-CB 4.25Å; F9-I146 HydrophobicContact CD1-CD1 3.89Å; F9-I146 HydrophobicContact CD1-CG1 3.99Å; F9-I146 HydrophobicContact CD1-CG2 3.37Å; F9-I146 HydrophobicContact CD2-CD1 3.63Å; F9-I146 HydrophobicContact CD2-CG1 4.45Å; F9-I146 HydrophobicContact CE1-CB 4.14Å; F9-I146 HydrophobicContact CE1-CD1 3.85Å; F9-I146 HydrophobicContact CE1-CG1 3.6Å; F9-I146 HydrophobicContact CE1-CG2 3.7Å; F9-I146 HydrophobicContact CE2-CD1 3.57Å; F9-I146 HydrophobicContact CE2-CG1 4.1Å; F9-I146 HydrophobicContact CG-CD1 3.78Å; F9-I146 HydrophobicContact CG-CG1 4.39Å; F9-I146 HydrophobicContact CG-CG2 4.03Å; F9-I146 HydrophobicContact CZ-CD1 3.69Å; F9-I146 HydrophobicContact CZ-CG1 3.66Å; I11-I146 HydrophobicContact CD1-CD1 4.28Å; I11-I146 HydrophobicContact CD1-CG1 4.08Å; I11-I146 HydrophobicContact CG1-CD1 3.62Å; I11-I146 HydrophobicContact CG1-CG1 4Å; K133-I146 CarbonylContact C-O 3.53Å; K133-I146 VanDerWaalsContact CA-O 3.31Å; K133-I146 WeakPolarHBondContact CA-O 3.44Å; V134-I146 HydrophobicContact CB-CD1 4.42Å; V134-I146 HydrophobicContact CB-CG1 3.95Å; V134-I146 PolarHBondContact N-O 2.87Å; V134-I146 PolarHBondContact O-N 3.15Å
147K95.6Very high92.5Very high97 Ų9768.3 Ų68.342%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-136.7135.5-179.7175.8-179149.1171.10107.9W131 V132 E149W131-K147 HydrophobicContact CB-CD 4.07Å; W131-K147 VanDerWaalsContact CB-CE 3.44Å; W131-K147 HydrophobicContact CB-CG 3.83Å; W131-K147 HydrophobicContact CD2-CD 3.99Å; W131-K147 HydrophobicContact CG-CD 3.61Å; W131-K147 HydrophobicContact CG-CG 3.78Å; V132-K147 CarbonylContact O-C 3.47Å; V132-K147 VanDerWaalsContact O-CA 3.32Å; V132-K147 WeakPolarHBondContact O-CA 3.46Å; K147-E149 WeakPolarHBondContact CE-OE1 3.28Å; K147-E149 IonicContact NZ-OE1 3.91Å; K147-E149 PolarHBondContact NZ-OE1 2.85Å
148K94.9Very high92.5Very high75 Ų7566.1 Ų66.133%0.32632%0.32SS..EExtended strand (participates in β ladder)trans-132.8129.2173.1-162.5166.5-179.9161.60109.8I11 F13 W131 V132I11-K148 HydrophobicContact CB-CB 3.95Å; I11-K148 HydrophobicContact CB-CD 3.98Å; I11-K148 HydrophobicContact CD1-CB 3.95Å; I11-K148 HydrophobicContact CG1-CB 4.48Å; I11-K148 HydrophobicContact CG2-CB 4.25Å; I11-K148 HydrophobicContact CG2-CD 4.29Å; I11-K148 WeakPolarHBondContact O-CD 3.14Å; I11-K148 WeakPolarHBondContact O-CE 3.37Å; I11-K148 PolarHBondContact O-NZ 3.02Å; F13-K148 HydrophobicContact CD2-CD 4.11Å; F13-K148 HydrophobicContact CD2-CG 4.38Å; F13-K148 HydrophobicContact CE2-CB 4.12Å; F13-K148 HydrophobicContact CE2-CD 3.96Å; F13-K148 HydrophobicContact CE2-CG 3.77Å; W131-K148 CarbonylContact C-O 3.55Å; W131-K148 VanDerWaalsContact CA-O 3.27Å; W131-K148 WeakPolarHBondContact CA-O 3.45Å; W131-K148 WeakPolarHBondContact CB-O 3.37Å; V132-K148 PolarHBondContact N-O 2.89Å; V132-K148 PolarHBondContact O-N 2.9Å
149E94.6Very high92.7Very high88 Ų8865.7 Ų65.741%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-88.1151.5-176.1-54-166.414600110.3Y130 W131 K147Y130-E149 WeakPolarHBondContact O-CA 3.12Å; W131-E149 HydrophobicContact CB-CG 4.13Å; K147-E149 WeakPolarHBondContact CE-OE1 3.28Å; K147-E149 IonicContact NZ-OE1 3.91Å; K147-E149 PolarHBondContact NZ-OE1 2.85Å
150F94.6Very high92.8Very high5 Ų567.3 Ų67.32%0.02233%0.331CS..EExtended strand (participates in β ladder)trans-136.9157.9170.461.8-92.6000108.7F13 P22 F24 V30 L82 L112 Y130 V132 V152F13-F150 HydrophobicContact CE1-CD1 4.48Å; F13-F150 HydrophobicContact CE2-CB 4.31Å; F13-F150 HydrophobicContact CZ-CB 4.3Å; F13-F150 AromaticContact CZ-CD1 3.94Å; F13-F150 HydrophobicContact CZ-CD1 3.94Å; P22-F150 HydrophobicContact CG-CB 3.97Å; F24-F150 HydrophobicContact CD2-CB 4.08Å; F24-F150 AromaticContact CD2-CD2 3.61Å; F24-F150 HydrophobicContact CD2-CD2 3.61Å; F24-F150 HydrophobicContact CD2-CE2 4.32Å; F24-F150 HydrophobicContact CD2-CG 4.09Å; F24-F150 HydrophobicContact CE2-CB 3.94Å; F24-F150 HydrophobicContact CE2-CD2 4.15Å; F24-F150 HydrophobicContact CE2-CG 4.17Å; V30-F150 HydrophobicContact CG2-CE2 4.39Å; V30-F150 HydrophobicContact CG2-CZ 4.5Å; L82-F150 HydrophobicContact CD2-CZ 3.93Å; L112-F150 HydrophobicContact CD1-CE2 4.5Å; L112-F150 HydrophobicContact CD2-CE2 4.34Å; L112-F150 HydrophobicContact CD2-CZ 4.35Å; Y130-F150 HydrophobicContact CD1-CE2 4.43Å; Y130-F150 HydrophobicContact CD1-CZ 4.48Å; Y130-F150 HydrophobicContact CG-CE2 4.17Å; Y130-F150 HydrophobicContact CG-CZ 4.44Å; Y130-F150 PolarHBondContact O-N 3.11Å; Y130-F150 VanDerWaalsContact O-N 3.15Å; V132-F150 HydrophobicContact CG2-CD1 4.3Å; V132-F150 HydrophobicContact CG2-CE1 3.97Å; F150-V152 HydrophobicContact CD2-CG2 3.95Å; F150-V152 HydrophobicContact CE2-CG2 3.62Å
151T94.7Very high93.2Very high44 Ų4460.1 Ų60.127%0.2732%0.318SS..EExtended strand (participates in β ladder)trans-100.4133.9-177.3-60.90000109.5P22 V23 F24 I153P22-T151 PolarHBondContact O-N 3.34Å; V23-T151 CarbonylContact C-O 3.47Å; V23-T151 VanDerWaalsContact CA-O 3.31Å; V23-T151 WeakPolarHBondContact CA-O 3.26Å; F24-T151 PolarHBondContact N-O 3.36Å; T151-I153 HydrophobicContact CG2-CG1 4.1Å
152V94.5Very high93.4Very high0 Ų061.7 Ų61.70%033%0.33CS..EExtended strand (participates in β ladder)trans-107.9129170.21790000109.1F24 L112 L117 T119 S120 Y130 F150F24-V152 CarbonylContact O-C 3.57Å; F24-V152 WeakPolarHBondContact O-CA 3.33Å; L112-V152 HydrophobicContact CD1-CG2 4.43Å; L117-V152 HydrophobicContact CB-CG1 4.12Å; L117-V152 HydrophobicContact CD1-CG1 3.95Å; T119-V152 WeakPolarHBondContact CA-O 3.48Å; S120-V152 WeakPolarHBondContact CB-O 3.21Å; S120-V152 PolarHBondContact N-O 2.85Å; S120-V152 PolarHBondContact OG-N 3.46Å; S120-V152 PolarHBondContact OG-O 2.83Å; Y130-V152 HydrophobicContact CD1-CG2 3.97Å; Y130-V152 HydrophobicContact CD2-CB 3.79Å; Y130-V152 HydrophobicContact CD2-CG2 3.52Å; Y130-V152 HydrophobicContact CE1-CG2 4.26Å; Y130-V152 HydrophobicContact CE2-CB 3.74Å; Y130-V152 HydrophobicContact CE2-CG1 4.44Å; Y130-V152 HydrophobicContact CE2-CG2 3.84Å; Y130-V152 HydrophobicContact CG-CB 4.37Å; Y130-V152 HydrophobicContact CG-CG2 3.6Å; F150-V152 HydrophobicContact CD2-CG2 3.95Å; F150-V152 HydrophobicContact CE2-CG2 3.62Å
153I93Very high93.6Very high59 Ų5957 Ų5730%0.30330%0.301SS..  trans-121.4113.9171.8-59.9-177.7000108V23 F24 S25 T151 T305V23-I153 HydrophobicContact CG1-CB 4.26Å; V23-I153 HydrophobicContact CG1-CD1 3.68Å; V23-I153 HydrophobicContact CG1-CG1 3.81Å; F24-I153 PolarHBondContact O-N 3.46Å; S25-I153 WeakPolarHBondContact CB-O 3.37Å; S25-I153 PolarHBondContact OG-O 2.89Å; T151-I153 HydrophobicContact CG2-CG1 4.1Å; I153-T305 HydrophobicContact CG2-CG2 3.87Å
154E91.6Very high93.6Very high27 Ų2757.6 Ų57.613%0.12630%0.302CS..  trans-77.4128.2175.4-165.762.5-161.400109.7S26 T119 I156S26-E154 WeakPolarHBondContact CB-OE2 3.38Å; S26-E154 VanDerWaalsContact OG-CD 3.27Å; S26-E154 PolarHBondContact OG-OE1 2.8Å; S26-E154 PolarHBondContact OG-OE2 2.75Å; T119-E154 VanDerWaalsContact OG1-CB 3.32Å; T119-E154 WeakPolarHBondContact OG1-CB 3.23Å; T119-E154 PolarHBondContact OG1-N 2.6Å; E154-I156 PolarHBondContact O-N 2.8Å
155P90.6Very high93.6Very high62 Ų6253.2 Ų53.240%0.40330%0.295SS..  trans-66.8125.7178.425.8-32.7000110.9T305 I306P155-T305 WeakPolarHBondContact CA-OG1 3.42Å; P155-I306 HydrophobicContact CB-CD1 3.85Å; P155-I306 HydrophobicContact CB-CG1 4.46Å
156I92.6Very high93.6Very high27 Ų2751.4 Ų51.414%0.13830%0.296CS..  trans-116.9106.5172-59170.8000107.7E154 I158 L163 P269 S270 V302 T305 I306E154-I156 PolarHBondContact O-N 2.8Å; I156-I158 PolarHBondContact O-N 3.04Å; I156-L163 HydrophobicContact CG2-CD1 4.49Å; I156-P269 HydrophobicContact CD1-CB 4.24Å; I156-S270 WeakPolarHBondContact CD1-O 3.4Å; I156-V302 HydrophobicContact CG2-CG1 4.06Å; I156-T305 PolarHBondContact N-OG1 2.72Å; I156-T305 PolarHBondContact O-N 2.05Å; I156-I306 PolarHBondContact O-N 2.89Å
157D92.1Very high93.6Very high62 Ų6251 Ų5133%0.33229%0.293SS..BIsolated β-bridgetrans-82.3111.1179-172.26.1000112.1N159 T160 I306D157-N159 PolarHBondContact O-N 2.73Å; D157-N159 VanDerWaalsContact OD1-CB 3.23Å; D157-N159 WeakPolarHBondContact OD1-CB 3.42Å; D157-N159 PolarHBondContact OD1-N 3.41Å; D157-N159 PolarHBondContact OD1-ND2 2.71Å; D157-T160 WeakPolarHBondContact O-CG2 3.37Å; D157-T160 PolarHBondContact O-OG1 3.49Å; D157-I306 HydrophobicContact CB-CD1 4.03Å
158I93.8Very high93.7Very high0 Ų050 Ų500%030%0.303CS..THydrogen-bonded Turntrans-75.5-9.5177.574.4173.4000113.2I156 T160 L164 T197 I306 L308I156-I158 PolarHBondContact O-N 3.04Å; I158-T160 PolarHBondContact O-N 3.08Å; I158-L164 WeakPolarHBondContact O-CD2 3.18Å; I158-T197 HydrophobicContact CD1-CG2 4.07Å; I158-I306 WeakPolarHBondContact CG1-O 3.38Å; I158-L308 HydrophobicContact CD1-CB 4Å; I158-L308 HydrophobicContact CG1-CB 4.42Å
159N93.6Very high93.8Very high34 Ų3447.5 Ų47.518%0.18230%0.298CS..THydrogen-bonded Turntrans-77.91.4178.4-58-81.9000112.8D157 L164 P307 L308 H309D157-N159 PolarHBondContact O-N 2.73Å; D157-N159 VanDerWaalsContact OD1-CB 3.23Å; D157-N159 WeakPolarHBondContact OD1-CB 3.42Å; D157-N159 PolarHBondContact OD1-N 3.41Å; D157-N159 PolarHBondContact OD1-ND2 2.71Å; N159-L164 VanDerWaalsContact O-CD1 3.26Å; N159-L164 WeakPolarHBondContact O-CD1 3.44Å; N159-P307 PolarHBondContact ND2-O 3.37Å; N159-P307 VanDerWaalsContact ND2-O 3.08Å; N159-L308 WeakPolarHBondContact OD1-CA 3.41Å; N159-L308 WeakPolarHBondContact OD1-CD1 3.47Å; N159-H309 PolarHBondContact ND2-CD2 2.95Å; N159-H309 PolarHBondContact OD1-N 3.02Å
160T91.4Very high93.9Very high56 Ų5647 Ų4734%0.34431%0.305SS..SBendtrans-68141.1174.754.20000111.7D157 I158 A162 L163 L164D157-T160 WeakPolarHBondContact O-CG2 3.37Å; D157-T160 PolarHBondContact O-OG1 3.49Å; I158-T160 PolarHBondContact O-N 3.08Å; T160-A162 PolarHBondContact O-N 3.44Å; T160-A162 VanDerWaalsContact O-N 3.09Å; T160-L163 PolarHBondContact O-N 2.77Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 VanDerWaalsContact OG1-CG 3.29Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 2.9Å
161P91.8Very high94.1Very high112 Ų11251.6 Ų51.673%0.72733%0.325SS*.Hα-helixtrans-54.4-35.8-176.3-28.434.4000114.5L163 L164 A165P161-L163 VanDerWaalsContact C-N 3.29Å; P161-L163 PolarHBondContact O-N 3.34Å; P161-L164 PolarHBondContact O-N 2.88Å; P161-A165 PolarHBondContact O-N 3.34Å; P161-A165 VanDerWaalsContact O-N 3.15Å
162A91.6Very high94.2Very high76 Ų7653.8 Ų53.863%0.62834%0.335SS*.Hα-helixtrans-67.8-28.217800000113.3T160T160-A162 PolarHBondContact O-N 3.44Å; T160-A162 VanDerWaalsContact O-N 3.09Å
163L94.3Very high94.1Very high19 Ų1955.6 Ų55.610%0.09934%0.343CS..Hα-helixtrans-90.3-24.3178-64.3-173.9000112.7I156 T160 P161 R193 K194 G195 V302I156-L163 HydrophobicContact CG2-CD1 4.49Å; T160-L163 PolarHBondContact O-N 2.77Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 VanDerWaalsContact OG1-CG 3.29Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; P161-L163 VanDerWaalsContact C-N 3.29Å; P161-L163 PolarHBondContact O-N 3.34Å; L163-R193 WeakPolarHBondContact O-CB 3.46Å; L163-K194 HydrophobicContact CD2-CB 4.41Å; L163-K194 HydrophobicContact CD2-CD 3.95Å; L163-K194 HydrophobicContact CD2-CG 3.95Å; L163-K194 WeakPolarHBondContact O-CA 3.32Å; L163-K194 WeakPolarHBondContact O-CB 3.03Å; L163-K194 PolarHBondContact O-N 3.04Å; L163-G195 PolarHBondContact O-N 2.91Å; L163-V302 HydrophobicContact CD1-CB 4.46Å; L163-V302 HydrophobicContact CD1-CG1 4.09Å; L163-V302 HydrophobicContact CD2-CB 3.82Å; L163-V302 HydrophobicContact CD2-CG1 4.21Å; L163-V302 HydrophobicContact CD2-CG2 3.67Å
164L94.8Very high94.2Very high69 Ų6956.1 Ų56.136%0.36135%0.345SS..Hα-helixtrans-79.8-18.1173.9-65.4179.7000113.9I158 N159 T160 P161 L308I158-L164 WeakPolarHBondContact O-CD2 3.18Å; N159-L164 VanDerWaalsContact O-CD1 3.26Å; N159-L164 WeakPolarHBondContact O-CD1 3.44Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 2.9Å; P161-L164 PolarHBondContact O-N 2.88Å; L164-L308 HydrophobicContact CD2-CD1 3.33Å
165A93.3Very high94.1Very high46 Ų4654.8 Ų54.838%0.3834%0.339SS..SBendtrans-61.6133.1-178.800000111.8P161 R193P161-A165 PolarHBondContact O-N 3.34Å; P161-A165 VanDerWaalsContact O-N 3.15Å; A165-R193 WeakPolarHBondContact O-CA 3.43Å
166P95.4Very high93.9Very high86 Ų8659.8 Ų59.856%0.55835%0.349SS*.  trans-65148.8176.827.7-34.6000110.7D192P166-D192 WeakPolarHBondContact CA-O 3.36Å; P166-D192 WeakPolarHBondContact CB-O 3.29Å
167Q96.9Very high93.5Very high28 Ų2860.3 Ų60.313%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-114.9138.6174.3-61.2-169.83.400110.2K190 I191 K194 L299 P300Q167-K190 CarbonylContact O-C 3.56Å; Q167-K190 WeakPolarHBondContact O-CA 3.29Å; Q167-K190 WeakPolarHBondContact O-CG 3.43Å; Q167-I191 HydrophobicContact CB-CD1 4.25Å; Q167-I191 HydrophobicContact CB-CG1 3.8Å; Q167-I191 HydrophobicContact CG-CG1 4.46Å; Q167-I191 PolarHBondContact N-O 3.36Å; Q167-I191 PolarHBondContact O-N 2.91Å; Q167-K194 HydrophobicContact CG-CB 4.46Å; Q167-L299 HydrophobicContact CB-CD2 4.38Å; Q167-P300 VanDerWaalsContact CD-O 3.3Å; Q167-P300 PolarHBondContact NE2-O 3.17Å; Q167-P300 PolarHBondContact OE1-O 3.36Å; Q167-P300 VanDerWaalsContact OE1-O 3.08Å
168A97.1Very high93.1Very high75 Ų7568.2 Ų68.262%0.6238%0.379SS*.EExtended strand (participates in β ladder)trans-142.7154.7171.400000109.8A189 K190A168-A189 CarbonylContact C-O 3.44Å; A168-A189 VanDerWaalsContact CA-O 3.22Å; A168-A189 WeakPolarHBondContact CA-O 3.45Å; A168-K190 HydrophobicContact CB-CB 4.06Å; A168-K190 HydrophobicContact CB-CG 4.18Å
169G97.5Very high92.4Very high22 Ų2278.6 Ų78.623%0.22742%0.42CS..EExtended strand (participates in β ladder)trans-158.1161.7171.900000111T188 A189 L297G169-T188 CarbonylContact O-C 3.5Å; G169-T188 WeakPolarHBondContact O-CA 3.39Å; G169-A189 PolarHBondContact N-O 3.49Å; G169-A189 PolarHBondContact O-N 3.22Å; G169-L297 WeakPolarHBondContact O-CD2 3.02Å
170S97.7Very high91.7Very high79 Ų7983.6 Ų83.655%0.55244%0.442SS*.EExtended strand (participates in β ladder)trans-135145.6171.9-170.10000109.2I187 T188S170-I187 CarbonylContact C-O 3.58Å; S170-I187 VanDerWaalsContact CA-O 3.26Å; S170-I187 WeakPolarHBondContact CA-O 3.41Å; S170-I187 PolarHBondContact OG-O 2.89Å; S170-T188 PolarHBondContact OG-OG1 3.1Å
171K97.6Very high91.6Very high100 Ų10085.1 Ų85.144%0.43545%0.448SS..EExtended strand (participates in β ladder)trans-153.2137.6177.8-162.2179.4178.2171.20109.6I187 L295 C296 L297K171-I187 PolarHBondContact N-O 2.84Å; K171-I187 PolarHBondContact O-N 2.9Å; K171-L295 HydrophobicContact CB-CD1 4.3Å; K171-L295 HydrophobicContact CD-CD1 3.78Å; K171-L295 HydrophobicContact CG-CD1 3.79Å; K171-C296 WeakPolarHBondContact CD-O 3.4Å; K171-C296 PolarHBondContact NZ-O 2.84Å; K171-L297 HydrophobicContact CB-CD1 4.4Å
172D96.2Very high91.3Very high90 Ų9081.5 Ų81.548%0.48142%0.421SS..EExtended strand (participates in β ladder)trans-129.4163.1178.568.5-74.8000111.7Q184 V185D172-Q184 PolarHBondContact OD2-NE2 2.98Å; D172-V185 CarbonylContact C-O 3.52Å; D172-V185 VanDerWaalsContact CA-O 3.3Å; D172-V185 WeakPolarHBondContact CA-O 3.31Å
173K94.3Very high91.3Very high38 Ų3878.7 Ų78.717%0.16540%0.399CS..EExtended strand (participates in β ladder)trans-151.3138.3177.5-163.6-165.481.9175.80110.5V185 T292 S293 L295K173-V185 HydrophobicContact CB-CG1 4.36Å; K173-V185 PolarHBondContact N-O 2.79Å; K173-V185 PolarHBondContact O-N 3.17Å; K173-T292 PolarHBondContact NZ-OG1 2.75Å; K173-S293 PolarHBondContact NZ-O 2.72Å; K173-S293 PolarHBondContact NZ-OG 3.48Å; K173-L295 HydrophobicContact CB-CD1 4.05Å; K173-L295 HydrophobicContact CB-CD2 4.14Å; K173-L295 HydrophobicContact CB-CG 4.48Å
174M93.6Very high91.3Very high70 Ų7081.5 Ų81.535%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-77.5122.1164.7-162.86360.600110.2R176 N181 G183 Q184M174-R176 HydrophobicContact CB-CG 4.44Å; M174-R176 HydrophobicContact CG-CG 3.84Å; M174-R176 VanDerWaalsContact CG-NE 3.33Å; M174-R176 PolarHBondContact O-N 3.38Å; M174-N181 PolarHBondContact SD-OD1 3.48Å; M174-G183 VanDerWaalsContact SD-C 3.52Å; M174-G183 VanDerWaalsContact SD-O 3.36Å; M174-Q184 HydrophobicContact CE-CB 4.04Å; M174-Q184 HydrophobicContact CE-CG 4.39Å; M174-Q184 HydrophobicContact SD-CB 4.16Å
175A89.9Confident91.4Very high0 Ų078.3 Ų78.30%040%0.395CS..EExtended strand (participates in β ladder)trans-81.497.1177.500000110F182 G183 T212 V289 T292A175-F182 HydrophobicContact CB-CB 4.1Å; A175-F182 WeakPolarHBondContact O-CB 3.16Å; A175-F182 PolarHBondContact O-N 3.42Å; A175-G183 WeakPolarHBondContact CB-O 3.13Å; A175-G183 PolarHBondContact N-O 3.06Å; A175-T212 HydrophobicContact CB-CG2 3.96Å; A175-V289 HydrophobicContact CB-CG1 3.99Å; A175-T292 HydrophobicContact CB-CG2 4.11Å
176R87.2Confident91.6Very high166 Ų16677.5 Ų77.563%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-119140178.4-59.3-172.5-173.9-172.24.8111.5M174 H180M174-R176 HydrophobicContact CB-CG 4.44Å; M174-R176 HydrophobicContact CG-CG 3.84Å; M174-R176 VanDerWaalsContact CG-NE 3.33Å; M174-R176 PolarHBondContact O-N 3.38Å; R176-H180 WeakPolarHBondContact CA-O 3.38Å
177V84.6Confident91.7Very high38 Ų3873.4 Ų73.423%0.2336%0.36CS..EExtended strand (participates in β ladder)trans-134.2117170.8-174.80000107.7Y179 H180 F182 G291 T292V177-Y179 PolarHBondContact O-N 2.82Å; V177-H180 PolarHBondContact N-O 3.23Å; V177-H180 VanDerWaalsContact N-O 3.1Å; V177-H180 PolarHBondContact O-N 2.68Å; V177-F182 HydrophobicContact CB-CE2 3.77Å; V177-F182 HydrophobicContact CG2-CD2 4.08Å; V177-F182 HydrophobicContact CG2-CE2 3.55Å; V177-G291 WeakPolarHBondContact CG2-O 3.27Å; V177-T292 HydrophobicContact CG2-CG2 3.48Å; V177-T292 VanDerWaalsContact CG2-CG2 3.48Å
178W82Confident91.8Very high228 Ų22874.8 Ų74.886%0.86437%0.37SS*.THydrogen-bonded Turntrans51.2-102.9-172.7-5291.7000111.6
179Y78.9Confident91.8Very high218 Ų21871.2 Ų71.286%0.85534%0.341SS*.THydrogen-bonded Turntrans-108.4-6-176-52.1-74000113.9V177V177-Y179 PolarHBondContact O-N 2.82Å
180H79.9Confident91.9Very high139 Ų13974.9 Ų74.964%0.64435%0.351SS*.EExtended strand (participates in β ladder)trans-95.2128.3179.2-79.2-76.9000111.5R176 V177 F182R176-H180 WeakPolarHBondContact CA-O 3.38Å; V177-H180 PolarHBondContact N-O 3.23Å; V177-H180 VanDerWaalsContact N-O 3.1Å; V177-H180 PolarHBondContact O-N 2.68Å; H180-F182 HydrophobicContact CB-CE1 4.4Å; H180-F182 HydrophobicContact CB-CE2 4.34Å; H180-F182 HydrophobicContact CB-CZ 4.02Å
181N88.1Confident91.9Very high89 Ų8971.1 Ų71.148%0.47633%0.325SS..EExtended strand (participates in β ladder)trans-93.7116.4167.9-172.87000109M174 G183M174-N181 PolarHBondContact SD-OD1 3.48Å; N181-G183 VanDerWaalsContact C-N 3.34Å; N181-G183 PolarHBondContact OD1-N 2.69Å
182F86.2Confident91.8Very high35 Ų3570 Ų7015%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-87.1-6.6176.6-64-67.4000112.7A175 V177 H180 T212 S213 R214A175-F182 HydrophobicContact CB-CB 4.1Å; A175-F182 WeakPolarHBondContact O-CB 3.16Å; A175-F182 PolarHBondContact O-N 3.42Å; V177-F182 HydrophobicContact CB-CE2 3.77Å; V177-F182 HydrophobicContact CG2-CD2 4.08Å; V177-F182 HydrophobicContact CG2-CE2 3.55Å; H180-F182 HydrophobicContact CB-CE1 4.4Å; H180-F182 HydrophobicContact CB-CE2 4.34Å; H180-F182 HydrophobicContact CB-CZ 4.02Å; F182-T212 CarbonylContact O-C 3.6Å; F182-T212 WeakPolarHBondContact O-CA 3.3Å; F182-T212 VanDerWaalsContact O-CB 3.31Å; F182-T212 WeakPolarHBondContact O-CB 3.46Å; F182-S213 WeakPolarHBondContact CD1-OG 3.25Å; F182-S213 PolarHBondContact O-N 2.92Å; F182-R214 VanDerWaalsContact CZ-NH2 3.27Å
183G92Very high91.7Very high17 Ų1767.9 Ų67.918%0.17531%0.309CS..EExtended strand (participates in β ladder)trans109.3-170.8-176.800000112.4M174 A175 N181 A211M174-G183 VanDerWaalsContact SD-C 3.52Å; M174-G183 VanDerWaalsContact SD-O 3.36Å; A175-G183 WeakPolarHBondContact CB-O 3.13Å; A175-G183 PolarHBondContact N-O 3.06Å; N181-G183 VanDerWaalsContact C-N 3.34Å; N181-G183 PolarHBondContact OD1-N 2.69Å; G183-A211 WeakPolarHBondContact CA-O 3.27Å
184Q94.8Very high91.8Very high79 Ų7969.4 Ų69.437%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-105.5146.2-176.7-169.6176.91.100110.8D172 M174 A211 T212D172-Q184 PolarHBondContact OD2-NE2 2.98Å; M174-Q184 HydrophobicContact CE-CB 4.04Å; M174-Q184 HydrophobicContact CE-CG 4.39Å; M174-Q184 HydrophobicContact SD-CB 4.16Å; Q184-A211 PolarHBondContact N-O 3.01Å; Q184-A211 CarbonylContact O-C 3.17Å; Q184-A211 VanDerWaalsContact O-CA 3.27Å; Q184-A211 WeakPolarHBondContact O-CA 2.99Å; Q184-A211 WeakPolarHBondContact O-CB 3.49Å; Q184-A211 PolarHBondContact O-N 3.3Å; Q184-T212 WeakPolarHBondContact O-CG2 3.35Å; Q184-T212 PolarHBondContact O-N 2.87Å
185V96.3Very high92Very high1 Ų166.1 Ų66.11%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-122.1135.8167590000108.7D172 K173 D209 T212 V287 V289 L295D172-V185 CarbonylContact C-O 3.52Å; D172-V185 VanDerWaalsContact CA-O 3.3Å; D172-V185 WeakPolarHBondContact CA-O 3.31Å; K173-V185 HydrophobicContact CB-CG1 4.36Å; K173-V185 PolarHBondContact N-O 2.79Å; K173-V185 PolarHBondContact O-N 3.17Å; V185-D209 WeakPolarHBondContact CA-O 3.39Å; V185-T212 HydrophobicContact CB-CG2 4.09Å; V185-V287 HydrophobicContact CG2-CB 4.32Å; V185-V287 HydrophobicContact CG2-CG1 3.99Å; V185-V289 HydrophobicContact CB-CG2 4.32Å; V185-V289 HydrophobicContact CG1-CG2 3.79Å; V185-V289 HydrophobicContact CG2-CG2 4.49Å; V185-L295 HydrophobicContact CG1-CB 4.47Å; V185-L295 HydrophobicContact CG1-CD2 3.8Å; V185-L295 HydrophobicContact CG2-CD2 4.41Å; V185-L295 WeakPolarHBondContact O-CD2 3.42Å
186S97.3Very high92.3Very high29 Ų2966.3 Ų66.320%0.20330%0.3CS..EExtended strand (participates in β ladder)trans-128.2150.1174.472.70000111.8F208 D209S186-F208 WeakPolarHBondContact O-CA 3.45Å; S186-D209 PolarHBondContact N-O 2.65Å; S186-D209 PolarHBondContact O-N 3.05Å; S186-D209 VanDerWaalsContact OG-CB 3.23Å; S186-D209 WeakPolarHBondContact OG-CB 3.29Å
187I98.1Very high92.7Very high0 Ų059.1 Ų59.10%027%0.274CS..EExtended strand (participates in β ladder)trans-129.1125.4177.7-54.3178.5000107S170 K171 E207 F208 V285 V287 L295 L297S170-I187 CarbonylContact C-O 3.58Å; S170-I187 VanDerWaalsContact CA-O 3.26Å; S170-I187 WeakPolarHBondContact CA-O 3.41Å; S170-I187 PolarHBondContact OG-O 2.89Å; K171-I187 PolarHBondContact N-O 2.84Å; K171-I187 PolarHBondContact O-N 2.9Å; I187-E207 WeakPolarHBondContact CA-O 3.26Å; I187-F208 HydrophobicContact CG1-CD1 4.09Å; I187-F208 HydrophobicContact CG1-CE1 4.39Å; I187-F208 HydrophobicContact CG2-CD1 4.16Å; I187-F208 HydrophobicContact CG2-CE1 3.9Å; I187-V285 HydrophobicContact CG2-CB 4.44Å; I187-V285 HydrophobicContact CG2-CG1 3.88Å; I187-V287 HydrophobicContact CD1-CB 4Å; I187-V287 HydrophobicContact CD1-CG2 3.61Å; I187-V287 HydrophobicContact CG1-CB 4.46Å; I187-V287 HydrophobicContact CG1-CG2 3.79Å; I187-L295 HydrophobicContact CD1-CB 4.21Å; I187-L295 HydrophobicContact CD1-CD2 3.96Å; I187-L295 HydrophobicContact CD1-CG 3.69Å; I187-L295 WeakPolarHBondContact CD1-O 3.3Å; I187-L295 HydrophobicContact CG1-CD2 3.81Å; I187-L295 HydrophobicContact CG1-CG 4.11Å; I187-L297 HydrophobicContact CG2-CB 4.32Å; I187-L297 HydrophobicContact CG2-CD2 4.38Å
188T98.3Very high93.3Very high57 Ų5759.9 Ų59.935%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-118.1130.8164.6-57.60000107.4G169 S170 A206 E207G169-T188 CarbonylContact O-C 3.5Å; G169-T188 WeakPolarHBondContact O-CA 3.39Å; S170-T188 PolarHBondContact OG-OG1 3.1Å; T188-A206 CarbonylContact O-C 3.58Å; T188-A206 WeakPolarHBondContact O-CA 3.46Å; T188-E207 PolarHBondContact N-O 2.8Å; T188-E207 PolarHBondContact O-N 2.61Å
189A98.3Very high93.8Very high1 Ų151 Ų511%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-139.3149.4177.900000111.8A168 G169 F205 A206 V285 L297 L299A168-A189 CarbonylContact C-O 3.44Å; A168-A189 VanDerWaalsContact CA-O 3.22Å; A168-A189 WeakPolarHBondContact CA-O 3.45Å; G169-A189 PolarHBondContact N-O 3.49Å; G169-A189 PolarHBondContact O-N 3.22Å; A189-F205 CarbonylContact C-O 3.58Å; A189-F205 VanDerWaalsContact CA-O 3.25Å; A189-F205 WeakPolarHBondContact CA-O 3.44Å; A189-A206 HydrophobicContact CB-CB 4.06Å; A189-V285 HydrophobicContact CB-CB 4.18Å; A189-V285 HydrophobicContact CB-CG1 4.27Å; A189-V285 HydrophobicContact CB-CG2 3.91Å; A189-L297 HydrophobicContact CB-CD2 3.67Å; A189-L299 HydrophobicContact CB-CD1 4.28Å
190K97.9Very high94.6Very high99 Ų9942.4 Ų42.443%0.4323%0.227SC..EExtended strand (participates in β ladder)trans-140.6144.6179.3177.8-176.1173.9-170.10110.6Q167 A168 F205Q167-K190 CarbonylContact O-C 3.56Å; Q167-K190 WeakPolarHBondContact O-CA 3.29Å; Q167-K190 WeakPolarHBondContact O-CG 3.43Å; A168-K190 HydrophobicContact CB-CB 4.06Å; A168-K190 HydrophobicContact CB-CG 4.18Å; K190-F205 HydrophobicContact CB-CB 4.33Å; K190-F205 PolarHBondContact N-O 3.45Å; K190-F205 PolarHBondContact O-N 2.84Å
191I97.8Very high95.3Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-131.9155.9168.259.2177.8000109.7Q167 R193 Y196 I202 L283 L299 L301Q167-I191 HydrophobicContact CB-CD1 4.25Å; Q167-I191 HydrophobicContact CB-CG1 3.8Å; Q167-I191 HydrophobicContact CG-CG1 4.46Å; Q167-I191 PolarHBondContact N-O 3.36Å; Q167-I191 PolarHBondContact O-N 2.91Å; I191-R193 VanDerWaalsContact CD1-O 3.24Å; I191-R193 WeakPolarHBondContact CD1-O 3.13Å; I191-R193 WeakPolarHBondContact CG1-O 3.34Å; I191-R193 PolarHBondContact O-N 2.59Å; I191-Y196 HydrophobicContact CD1-CE2 4.47Å; I191-I202 HydrophobicContact CB-CG2 4.3Å; I191-I202 HydrophobicContact CG2-CG2 3.82Å; I191-L283 HydrophobicContact CD1-CD2 4.5Å; I191-L283 HydrophobicContact CG2-CD2 3.53Å; I191-L299 HydrophobicContact CD1-CB 4.29Å; I191-L299 HydrophobicContact CD1-CD1 4.42Å; I191-L299 HydrophobicContact CG1-CD1 4.24Å; I191-L299 HydrophobicContact CG2-CD1 4.3Å; I191-L301 HydrophobicContact CD1-CD2 3.65Å
192D95.4Very high95.7Very high77 Ų7735 Ų3541%0.41220%0.195SC..SBendtrans-72.9-28.4-170.9-62.1-32000113.6P166 P203P166-D192 WeakPolarHBondContact CA-O 3.36Å; P166-D192 WeakPolarHBondContact CB-O 3.29Å; D192-P203 WeakPolarHBondContact OD2-CG 3.48Å
193R95.6Very high96.3Very high45 Ų4535 Ų3517%0.1720%0.198CC..  trans-154.6170.5-179.564.9178-178.8-132.87.9112.9L163 A165 I191 G195 Y196 E200L163-R193 WeakPolarHBondContact O-CB 3.46Å; A165-R193 WeakPolarHBondContact O-CA 3.43Å; I191-R193 VanDerWaalsContact CD1-O 3.24Å; I191-R193 WeakPolarHBondContact CD1-O 3.13Å; I191-R193 WeakPolarHBondContact CG1-O 3.34Å; I191-R193 PolarHBondContact O-N 2.59Å; R193-G195 WeakPolarHBondContact CD-O 3.46Å; R193-G195 WeakPolarHBondContact CG-O 3.45Å; R193-G195 PolarHBondContact NE-O 3.19Å; R193-Y196 HydrophobicContact CG-CD1 4.49Å; R193-Y196 HydrophobicContact CG-CE1 3.8Å; R193-Y196 HydrophobicContact CG-CE2 4.01Å; R193-Y196 WeakPolarHBondContact CG-OH 3.46Å; R193-Y196 PolarHBondContact N-OH 3.3Å; R193-Y196 WeakPolarHBondContact O-CE2 3.46Å; R193-Y196 PolarHBondContact O-OH 3.38Å; R193-E200 IonicContact CZ-OE2 3.5Å; R193-E200 IonicContact NH2-OE1 3.06Å; R193-E200 IonicContact NH2-OE2 3.87Å; R193-E200 PolarHBondContact NH2-OE2 2.88Å
194K96.6Very high96.6Very high70 Ų7034.2 Ų34.230%0.30419%0.19SC..SBendtrans-91.6-36.9177178.2170.1-177.3-178.20113.3L163 Q167 L301 V302L163-K194 HydrophobicContact CD2-CB 4.41Å; L163-K194 HydrophobicContact CD2-CD 3.95Å; L163-K194 HydrophobicContact CD2-CG 3.95Å; L163-K194 WeakPolarHBondContact O-CA 3.32Å; L163-K194 WeakPolarHBondContact O-CB 3.03Å; L163-K194 PolarHBondContact O-N 3.04Å; Q167-K194 HydrophobicContact CG-CB 4.46Å; K194-L301 WeakPolarHBondContact O-CA 3.18Å; K194-V302 HydrophobicContact CD-CG2 4.47Å; K194-V302 HydrophobicContact CG-CG2 4.21Å; K194-V302 PolarHBondContact O-N 3.07Å
195G96.7Very high96.7Very high0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-93.2134.8-176.200000113.1L163 R193 V302L163-G195 PolarHBondContact O-N 2.91Å; R193-G195 WeakPolarHBondContact CD-O 3.46Å; R193-G195 WeakPolarHBondContact CG-O 3.45Å; R193-G195 PolarHBondContact NE-O 3.19Å; G195-V302 WeakPolarHBondContact CA-O 3.49Å
196Y96.9Very high96.8Very high4 Ų434.4 Ų34.42%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-142.7159.8175.8-61.8-91.8000110.4I191 R193 E200 I202 I264 L301 V302 M303 G304I191-Y196 HydrophobicContact CD1-CE2 4.47Å; R193-Y196 HydrophobicContact CG-CD1 4.49Å; R193-Y196 HydrophobicContact CG-CE1 3.8Å; R193-Y196 HydrophobicContact CG-CE2 4.01Å; R193-Y196 WeakPolarHBondContact CG-OH 3.46Å; R193-Y196 PolarHBondContact N-OH 3.3Å; R193-Y196 WeakPolarHBondContact O-CE2 3.46Å; R193-Y196 PolarHBondContact O-OH 3.38Å; Y196-E200 WeakPolarHBondContact CD1-OE2 3.4Å; Y196-I202 HydrophobicContact CD1-CD1 4.47Å; Y196-I202 HydrophobicContact CD1-CG1 3.84Å; Y196-I202 HydrophobicContact CD2-CD1 4.08Å; Y196-I202 HydrophobicContact CD2-CG1 4.32Å; Y196-I202 HydrophobicContact CE1-CB 4.28Å; Y196-I202 HydrophobicContact CE1-CD1 4.49Å; Y196-I202 HydrophobicContact CE1-CG1 3.77Å; Y196-I202 HydrophobicContact CE1-CG2 4.17Å; Y196-I202 HydrophobicContact CE2-CD1 4.1Å; Y196-I202 HydrophobicContact CE2-CG1 4.25Å; Y196-I202 HydrophobicContact CE2-CG2 4.46Å; Y196-I202 HydrophobicContact CG-CD1 4.29Å; Y196-I202 HydrophobicContact CG-CG1 4.13Å; Y196-I264 VanDerWaalsContact CB-CD1 3.42Å; Y196-I264 HydrophobicContact CD1-CD1 4.32Å; Y196-I264 HydrophobicContact CG-CD1 3.94Å; Y196-L301 HydrophobicContact CD2-CD2 4.03Å; Y196-L301 HydrophobicContact CE2-CD2 3.76Å; Y196-V302 PolarHBondContact N-O 2.79Å; Y196-M303 CarbonylContact O-C 3.54Å; Y196-M303 WeakPolarHBondContact O-CA 3.42Å; Y196-G304 PolarHBondContact O-N 2.84Å
197T96.1Very high96.8Very high16 Ų1637.3 Ų37.310%0.09820%0.201CC..  trans-105.8154.216960.70000112.2I158 G199 E200 P307I158-T197 HydrophobicContact CD1-CG2 4.07Å; T197-G199 PolarHBondContact O-N 3.22Å; T197-E200 PolarHBondContact N-OE1 2.85Å; T197-E200 PolarHBondContact N-OE2 2.75Å; T197-E200 WeakPolarHBondContact O-CB 3.17Å; T197-E200 PolarHBondContact O-N 3.25Å; T197-E200 VanDerWaalsContact OG1-CD 3.27Å; T197-E200 WeakPolarHBondContact OG1-CG 3.36Å; T197-E200 PolarHBondContact OG1-OE1 3.03Å; T197-P307 HydrophobicContact CG2-CB 4.13Å
198P95.3Very high96.8Very high53 Ų5337.4 Ų37.434%0.34420%0.201SC..THydrogen-bonded Turntrans-54.8136.5174.9-25.535000112.3V267P198-V267 HydrophobicContact CG-CG2 4.41Å; P198-V267 WeakPolarHBondContact CG-O 3.24Å
199G93.8Very high96.8Very high41 Ų4136.8 Ų36.842%0.42320%0.196SC..THydrogen-bonded Turntrans94.4-19.3-176.900000114.8T197 I264T197-G199 PolarHBondContact O-N 3.22Å; G199-I264 VanDerWaalsContact CA-O 3.24Å; G199-I264 WeakPolarHBondContact CA-O 3.23Å; G199-I264 PolarHBondContact N-O 2.84Å
200E94.5Very high96.7Very high38 Ų3836.8 Ų36.818%0.17820%0.196CC..  trans-66.9164.9175.1-71-179-165.300112.7R193 Y196 T197 I264R193-E200 IonicContact CZ-OE2 3.5Å; R193-E200 IonicContact NH2-OE1 3.06Å; R193-E200 IonicContact NH2-OE2 3.87Å; R193-E200 PolarHBondContact NH2-OE2 2.88Å; Y196-E200 WeakPolarHBondContact CD1-OE2 3.4Å; T197-E200 PolarHBondContact N-OE1 2.85Å; T197-E200 PolarHBondContact N-OE2 2.75Å; T197-E200 WeakPolarHBondContact O-CB 3.17Å; T197-E200 PolarHBondContact O-N 3.25Å; T197-E200 VanDerWaalsContact OG1-CD 3.27Å; T197-E200 WeakPolarHBondContact OG1-CG 3.36Å; T197-E200 PolarHBondContact OG1-OE1 3.03Å; E200-I264 HydrophobicContact CB-CD1 4.24Å; E200-I264 WeakPolarHBondContact O-CB 3.35Å; E200-I264 WeakPolarHBondContact O-CG1 3.5Å; E200-I264 PolarHBondContact O-N 2.85Å
201V95.9Very high96.5Very high74 Ų7433.7 Ų33.745%0.44819%0.188SC..EExtended strand (participates in β ladder)trans-113.4127.6176.2176.30000108.8P203 A261 K263V201-P203 WeakPolarHBondContact O-CD 3.35Å; V201-A261 HydrophobicContact CG1-CB 3.43Å; V201-A261 VanDerWaalsContact CG1-CB 3.43Å; V201-K263 HydrophobicContact CG2-CB 4.35Å; V201-K263 HydrophobicContact CG2-CG 4.36Å
202I97.1Very high96.4Very high0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-92.6118174.4-49.8179.3000108.2I191 Y196 V204 I222 I262 I264 L301I191-I202 HydrophobicContact CB-CG2 4.3Å; I191-I202 HydrophobicContact CG2-CG2 3.82Å; Y196-I202 HydrophobicContact CD1-CD1 4.47Å; Y196-I202 HydrophobicContact CD1-CG1 3.84Å; Y196-I202 HydrophobicContact CD2-CD1 4.08Å; Y196-I202 HydrophobicContact CD2-CG1 4.32Å; Y196-I202 HydrophobicContact CE1-CB 4.28Å; Y196-I202 HydrophobicContact CE1-CD1 4.49Å; Y196-I202 HydrophobicContact CE1-CG1 3.77Å; Y196-I202 HydrophobicContact CE1-CG2 4.17Å; Y196-I202 HydrophobicContact CE2-CD1 4.1Å; Y196-I202 HydrophobicContact CE2-CG1 4.25Å; Y196-I202 HydrophobicContact CE2-CG2 4.46Å; Y196-I202 HydrophobicContact CG-CD1 4.29Å; Y196-I202 HydrophobicContact CG-CG1 4.13Å; I202-V204 HydrophobicContact CG2-CG2 4.42Å; I202-V204 PolarHBondContact O-N 2.88Å; I202-I222 HydrophobicContact CD1-CD1 3.93Å; I202-I262 HydrophobicContact CB-CG2 3.73Å; I202-I262 HydrophobicContact CG1-CG2 4.4Å; I202-I262 PolarHBondContact N-O 3.3Å; I202-I262 PolarHBondContact O-N 2.97Å; I202-I264 HydrophobicContact CD1-CD1 3.93Å; I202-I264 HydrophobicContact CD1-CG1 4.09Å; I202-I264 HydrophobicContact CG1-CD1 3.84Å; I202-I264 HydrophobicContact CG1-CG1 4.05Å; I202-L301 HydrophobicContact CD1-CD1 3.82Å; I202-L301 HydrophobicContact CD1-CD2 4.3Å
203P97.3Very high96.2Very high35 Ų3533.6 Ų33.623%0.22719%0.194CC..EExtended strand (participates in β ladder)trans-76.3116.7168.930.7-32.3000109.7D192 V201 F205D192-P203 WeakPolarHBondContact OD2-CG 3.48Å; V201-P203 WeakPolarHBondContact O-CD 3.35Å; P203-F205 HydrophobicContact CB-CE2 4.03Å; P203-F205 HydrophobicContact CB-CZ 4.38Å; P203-F205 HydrophobicContact CG-CE2 4.28Å
204V98Very high96.1Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-97.8115.4178.7-1740000109.8I202 A206 W257 G259 R260 I262 L283 V285I202-V204 HydrophobicContact CG2-CG2 4.42Å; I202-V204 PolarHBondContact O-N 2.88Å; V204-A206 HydrophobicContact CG1-CB 4.38Å; V204-W257 HydrophobicContact CB-CE3 4.35Å; V204-W257 HydrophobicContact CG1-CE3 4.01Å; V204-W257 HydrophobicContact CG1-CZ3 4.26Å; V204-G259 CarbonylContact O-C 3.52Å; V204-G259 WeakPolarHBondContact O-CA 3.36Å; V204-G259 PolarHBondContact O-N 3Å; V204-R260 PolarHBondContact N-O 2.95Å; V204-R260 PolarHBondContact O-N 2.84Å; V204-I262 HydrophobicContact CG2-CG2 3.84Å; V204-L283 HydrophobicContact CG1-CD2 4.48Å; V204-L283 HydrophobicContact CG2-CD1 4.49Å; V204-L283 HydrophobicContact CG2-CD2 3.92Å; V204-V285 HydrophobicContact CG1-CG2 4.14Å
205F98.1Very high96Very high79 Ų7935.2 Ų35.235%0.34621%0.207SC..EExtended strand (participates in β ladder)trans-95.8119.1170.8-59-88000108.3A189 K190 P203 W257 G259A189-F205 CarbonylContact C-O 3.58Å; A189-F205 VanDerWaalsContact CA-O 3.25Å; A189-F205 WeakPolarHBondContact CA-O 3.44Å; K190-F205 HydrophobicContact CB-CB 4.33Å; K190-F205 PolarHBondContact N-O 3.45Å; K190-F205 PolarHBondContact O-N 2.84Å; P203-F205 HydrophobicContact CB-CE2 4.03Å; P203-F205 HydrophobicContact CB-CZ 4.38Å; P203-F205 HydrophobicContact CG-CE2 4.28Å; F205-W257 WeakPolarHBondContact CA-O 3.04Å; F205-G259 VanDerWaalsContact CD1-N 3.29Å
206A98Very high95.9Very high4 Ų435.3 Ų35.33%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-146147.8-17700000112.3T188 A189 V204 F208 T256 W257 V285T188-A206 CarbonylContact O-C 3.58Å; T188-A206 WeakPolarHBondContact O-CA 3.46Å; A189-A206 HydrophobicContact CB-CB 4.06Å; V204-A206 HydrophobicContact CG1-CB 4.38Å; A206-F208 HydrophobicContact CB-CE2 3.68Å; A206-F208 HydrophobicContact CB-CZ 3.7Å; A206-T256 CarbonylContact O-C 3.6Å; A206-T256 WeakPolarHBondContact O-CA 3.06Å; A206-W257 HydrophobicContact CB-CB 4.27Å; A206-W257 HydrophobicContact CB-CD2 4.43Å; A206-W257 HydrophobicContact CB-CE3 4.09Å; A206-W257 PolarHBondContact N-O 2.75Å; A206-W257 VanDerWaalsContact N-O 3.12Å; A206-W257 PolarHBondContact O-N 3.12Å; A206-V285 HydrophobicContact CB-CG1 4.37Å
207E98.1Very high95.8Very high91 Ų9137.3 Ų37.343%0.42522%0.221SC..EExtended strand (participates in β ladder)trans-122.3129.5171.9-67.3-177.2-174.900108.8I187 T188 T256I187-E207 WeakPolarHBondContact CA-O 3.26Å; T188-E207 PolarHBondContact N-O 2.8Å; T188-E207 PolarHBondContact O-N 2.61Å; E207-T256 HydrophobicContact CG-CG2 3.89Å
208F97.6Very high95.9Very high1 Ų136.6 Ų36.60%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-117.5109.4179-55.7-80.8000108.2S186 I187 A206 P218 R254 E255 W257 V285 V287S186-F208 WeakPolarHBondContact O-CA 3.45Å; I187-F208 HydrophobicContact CG1-CD1 4.09Å; I187-F208 HydrophobicContact CG1-CE1 4.39Å; I187-F208 HydrophobicContact CG2-CD1 4.16Å; I187-F208 HydrophobicContact CG2-CE1 3.9Å; A206-F208 HydrophobicContact CB-CE2 3.68Å; A206-F208 HydrophobicContact CB-CZ 3.7Å; F208-P218 HydrophobicContact CD1-CB 3.75Å; F208-P218 HydrophobicContact CD2-CB 3.84Å; F208-P218 HydrophobicContact CD2-CG 4.1Å; F208-P218 HydrophobicContact CE1-CB 3.51Å; F208-P218 HydrophobicContact CE2-CB 3.64Å; F208-P218 HydrophobicContact CE2-CG 4.2Å; F208-P218 HydrophobicContact CG-CB 3.89Å; F208-P218 HydrophobicContact CG-CG 4.33Å; F208-P218 HydrophobicContact CZ-CB 3.46Å; F208-P218 VanDerWaalsContact CZ-CB 3.46Å; F208-P218 HydrophobicContact CZ-CG 4.48Å; F208-R254 CarbonylContact O-C 3.54Å; F208-R254 VanDerWaalsContact O-CA 3.25Å; F208-R254 WeakPolarHBondContact O-CA 3.04Å; F208-R254 WeakPolarHBondContact O-CG 3.25Å; F208-E255 HydrophobicContact CD2-CB 4.49Å; F208-E255 PolarHBondContact N-O 2.86Å; F208-E255 PolarHBondContact O-N 2.88Å; F208-W257 AromaticContact CE2-CD2 3.6Å; F208-W257 HydrophobicContact CE2-CD2 3.6Å; F208-W257 AromaticContact CE2-CE2 3.49Å; F208-W257 VanDerWaalsContact CE2-CE2 3.49Å; F208-W257 HydrophobicContact CE2-CE3 4.06Å; F208-W257 AromaticContact CE2-CG 3.95Å; F208-W257 HydrophobicContact CE2-CG 3.95Å; F208-W257 HydrophobicContact CE2-CH2 4.3Å; F208-W257 AromaticContact CE2-CZ2 3.86Å; F208-W257 HydrophobicContact CE2-CZ2 3.86Å; F208-W257 HydrophobicContact CE2-CZ3 4.39Å; F208-W257 AromaticContact CE2-NE1 3.75Å; F208-W257 HydrophobicContact CZ-CD2 4.12Å; F208-W257 HydrophobicContact CZ-CE3 4.13Å; F208-W257 AromaticContact CZ-CH2 3.97Å; F208-W257 HydrophobicContact CZ-CH2 3.97Å; F208-W257 AromaticContact CZ-CZ2 3.95Å; F208-W257 HydrophobicContact CZ-CZ2 3.95Å; F208-W257 HydrophobicContact CZ-CZ3 4.06Å; F208-V285 HydrophobicContact CE1-CG1 3.66Å; F208-V285 HydrophobicContact CZ-CG1 3.63Å; F208-V287 HydrophobicContact CD1-CG2 3.37Å; F208-V287 HydrophobicContact CE1-CG2 3.81Å; F208-V287 HydrophobicContact CG-CG2 4.36Å
209D97.2Very high96Very high45 Ų4537.2 Ų37.224%0.24121%0.213CC..EExtended strand (participates in β ladder)trans-98.1108.2174-158.4-30000109.1V185 S186 A211 R254V185-D209 WeakPolarHBondContact CA-O 3.39Å; S186-D209 PolarHBondContact N-O 2.65Å; S186-D209 PolarHBondContact O-N 3.05Å; S186-D209 VanDerWaalsContact OG-CB 3.23Å; S186-D209 WeakPolarHBondContact OG-CB 3.29Å; D209-A211 PolarHBondContact O-N 3.01Å; D209-R254 IonicContact OD2-CZ 3.66Å; D209-R254 IonicContact OD2-NE 2.75Å; D209-R254 PolarHBondContact OD2-NE 2.83Å; D209-R254 IonicContact OD2-NH2 3.59Å; D209-R254 PolarHBondContact OD2-NH2 2.96Å
210N96.6Very high96.2Very high1 Ų135.2 Ų35.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-99.477.7176.9-177.724.3000110.1T212 R214 V216 V249 G250 Q252 R253N210-T212 PolarHBondContact O-N 2.86Å; N210-T212 VanDerWaalsContact O-N 3.15Å; N210-T212 VanDerWaalsContact OD1-CB 3.27Å; N210-T212 WeakPolarHBondContact OD1-CB 3.35Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.4Å; N210-T212 PolarHBondContact OD1-N 3.05Å; N210-T212 VanDerWaalsContact OD1-N 3.14Å; N210-T212 PolarHBondContact OD1-OG1 2.89Å; N210-R214 PolarHBondContact ND2-O 2.8Å; N210-V216 HydrophobicContact CB-CG2 3.91Å; N210-V249 HydrophobicContact CB-CG1 3.81Å; N210-V249 PolarHBondContact ND2-O 2.9Å; N210-G250 PolarHBondContact ND2-O 3.03Å; N210-Q252 CarbonylContact O-C 3.32Å; N210-Q252 WeakPolarHBondContact O-CA 3.38Å; N210-Q252 PolarHBondContact O-N 2.93Å; N210-R253 WeakPolarHBondContact CA-O 3.19Å; N210-R253 VanDerWaalsContact CB-O 3.31Å; N210-R253 WeakPolarHBondContact CB-O 3.43Å; N210-R253 PolarHBondContact N-O 2.86Å; N210-R253 PolarHBondContact O-N 2.78Å
211A95.1Very high96.3Very high34 Ų3435.1 Ų35.128%0.28119%0.191SC..EExtended strand (participates in β ladder)trans-79.123.9167.500000112.3G183 Q184 D209 Q252G183-A211 WeakPolarHBondContact CA-O 3.27Å; Q184-A211 PolarHBondContact N-O 3.01Å; Q184-A211 CarbonylContact O-C 3.17Å; Q184-A211 VanDerWaalsContact O-CA 3.27Å; Q184-A211 WeakPolarHBondContact O-CA 2.99Å; Q184-A211 WeakPolarHBondContact O-CB 3.49Å; Q184-A211 PolarHBondContact O-N 3.3Å; D209-A211 PolarHBondContact O-N 3.01Å; A211-Q252 PolarHBondContact O-NE2 2.82Å
212T93.9Very high96.4Very high0 Ų031.6 Ų31.60%017%0.17CC..EExtended strand (participates in β ladder)trans-92.6164.8171.684.20000112.4A175 F182 Q184 V185 N210 R214 A251 Q252A175-T212 HydrophobicContact CB-CG2 3.96Å; F182-T212 CarbonylContact O-C 3.6Å; F182-T212 WeakPolarHBondContact O-CA 3.3Å; F182-T212 VanDerWaalsContact O-CB 3.31Å; F182-T212 WeakPolarHBondContact O-CB 3.46Å; Q184-T212 WeakPolarHBondContact O-CG2 3.35Å; Q184-T212 PolarHBondContact O-N 2.87Å; V185-T212 HydrophobicContact CB-CG2 4.09Å; N210-T212 PolarHBondContact O-N 2.86Å; N210-T212 VanDerWaalsContact O-N 3.15Å; N210-T212 VanDerWaalsContact OD1-CB 3.27Å; N210-T212 WeakPolarHBondContact OD1-CB 3.35Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.4Å; N210-T212 PolarHBondContact OD1-N 3.05Å; N210-T212 VanDerWaalsContact OD1-N 3.14Å; N210-T212 PolarHBondContact OD1-OG1 2.89Å; T212-R214 VanDerWaalsContact C-N 3.25Å; T212-R214 PolarHBondContact O-N 2.88Å; T212-R214 PolarHBondContact OG1-N 2.81Å; T212-R214 PolarHBondContact OG1-O 3.15Å; T212-R214 VanDerWaalsContact OG1-O 3.08Å; T212-A251 WeakPolarHBondContact O-CA 3.2Å; T212-A251 WeakPolarHBondContact O-CB 3.47Å; T212-Q252 VanDerWaalsContact C-NE2 3.25Å; T212-Q252 PolarHBondContact O-N 3.4Å; T212-Q252 VanDerWaalsContact O-N 3.14Å; T212-Q252 PolarHBondContact O-NE2 2.74Å
213S92.9Very high96.5Very high75 Ų7531.7 Ų31.752%0.52417%0.171SC..SBendtrans-82.63.4173.560.10000113.9F182F182-S213 WeakPolarHBondContact CD1-OG 3.25Å; F182-S213 PolarHBondContact O-N 2.92Å
214R92.1Very high96.5Very high86 Ų8631.3 Ų31.333%0.32517%0.166SC..SBendtrans-117.3153.4-178.8-63-175.9178.2-142.9-11.4110.5F182 N210 T212 P290F182-R214 VanDerWaalsContact CZ-NH2 3.27Å; N210-R214 PolarHBondContact ND2-O 2.8Å; T212-R214 VanDerWaalsContact C-N 3.25Å; T212-R214 PolarHBondContact O-N 2.88Å; T212-R214 PolarHBondContact OG1-N 2.81Å; T212-R214 PolarHBondContact OG1-O 3.15Å; T212-R214 VanDerWaalsContact OG1-O 3.08Å; R214-P290 PolarHBondContact NH1-O 2.84Å
215S94.8Very high96.5Very high62 Ų6231.8 Ų31.843%0.43417%0.169SC..  trans-75.5144.9168.5-54.50000110.7V249S215-V249 CarbonylContact C-O 3.51Å; S215-V249 WeakPolarHBondContact CA-O 3.49Å; S215-V249 WeakPolarHBondContact CB-O 3.4Å
216V95.2Very high96.5Very high2 Ų229 Ų291%0.01216%0.157CC..BIsolated β-bridgetrans-129.9156.8-176.9-55.50000110.8N210 V249 V287 V289N210-V216 HydrophobicContact CB-CG2 3.91Å; V216-V249 HydrophobicContact CG2-CB 3.81Å; V216-V249 HydrophobicContact CG2-CG2 4.37Å; V216-V249 PolarHBondContact N-O 3.3Å; V216-V249 PolarHBondContact O-N 2.85Å; V216-V287 HydrophobicContact CB-CG1 3.45Å; V216-V287 VanDerWaalsContact CB-CG1 3.45Å; V216-V287 HydrophobicContact CG1-CG1 4.07Å; V216-V287 HydrophobicContact CG2-CG1 3.56Å; V216-V289 HydrophobicContact CG1-CB 4.35Å; V216-V289 HydrophobicContact CG1-CG1 4.37Å; V216-V289 HydrophobicContact CG1-CG2 3.85Å
217V95.1Very high96.4Very high47 Ų4729.1 Ų29.129%0.28516%0.157SC..EExtended strand (participates in β ladder)trans-120.4113.8178.3-174.90000109.6K219 V248V217-K219 HydrophobicContact CG1-CG 4.24Å; V217-V248 HydrophobicContact CG2-CG2 4.15Å
218P96.7Very high96.4Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-74.513917421.9-13.8000110.2F208 G246 D247 V249 E255 W257 C286 V287F208-P218 HydrophobicContact CD1-CB 3.75Å; F208-P218 HydrophobicContact CD2-CB 3.84Å; F208-P218 HydrophobicContact CD2-CG 4.1Å; F208-P218 HydrophobicContact CE1-CB 3.51Å; F208-P218 HydrophobicContact CE2-CB 3.64Å; F208-P218 HydrophobicContact CE2-CG 4.2Å; F208-P218 HydrophobicContact CG-CB 3.89Å; F208-P218 HydrophobicContact CG-CG 4.33Å; F208-P218 HydrophobicContact CZ-CB 3.46Å; F208-P218 VanDerWaalsContact CZ-CB 3.46Å; F208-P218 HydrophobicContact CZ-CG 4.48Å; P218-G246 WeakPolarHBondContact O-CA 3.44Å; P218-G246 PolarHBondContact O-N 2.95Å; P218-D247 WeakPolarHBondContact CD-O 3.17Å; P218-V249 HydrophobicContact CG-CG2 4.03Å; P218-E255 VanDerWaalsContact CG-OE2 3.27Å; P218-E255 WeakPolarHBondContact CG-OE2 3.42Å; P218-W257 HydrophobicContact CB-CH2 4.34Å; P218-W257 HydrophobicContact CB-CZ2 3.73Å; P218-W257 HydrophobicContact CG-CZ2 4.05Å; P218-C286 CarbonylContact C-O 3.59Å; P218-C286 WeakPolarHBondContact CA-O 3.33Å; P218-V287 HydrophobicContact CB-CG2 4.27Å
219K97.3Very high96.4Very high66 Ų6627.2 Ų27.229%0.28715%0.15SC..EExtended strand (participates in β ladder)trans-143.5138.1179.7-63.2-178.1-179.5173.70109.7V217 Y221 L244 C286V217-K219 HydrophobicContact CG1-CG 4.24Å; K219-Y221 HydrophobicContact CB-CE1 4.41Å; K219-Y221 HydrophobicContact CB-CE2 3.58Å; K219-Y221 WeakPolarHBondContact CB-OH 3.41Å; K219-Y221 WeakPolarHBondContact CD-OH 3.33Å; K219-L244 CarbonylContact C-O 3.41Å; K219-L244 WeakPolarHBondContact CA-O 3.2Å; K219-C286 PolarHBondContact N-O 3Å; K219-C286 PolarHBondContact O-N 2.87Å; K219-C286 VanDerWaalsContact O-O 3.13Å
220A97.9Very high96.3Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-113.9142.3170.400000110.7T243 L244 W257 L283 R284 V285A220-T243 CarbonylContact O-C 3.56Å; A220-T243 WeakPolarHBondContact O-CA 3.32Å; A220-L244 HydrophobicContact CB-CB 4.25Å; A220-L244 HydrophobicContact CB-CD2 4.39Å; A220-L244 PolarHBondContact N-O 3.08Å; A220-L244 PolarHBondContact O-N 2.75Å; A220-W257 HydrophobicContact CB-CH2 4.16Å; A220-W257 HydrophobicContact CB-CZ3 3.82Å; A220-L283 HydrophobicContact CB-CD1 4.25Å; A220-R284 CarbonylContact C-O 3.5Å; A220-R284 VanDerWaalsContact CA-O 3.24Å; A220-R284 WeakPolarHBondContact CA-O 3.48Å; A220-V285 HydrophobicContact CB-CG2 4.34Å
221Y97.4Very high96Very high35 Ų3533.3 Ų33.314%0.13717%0.17CC..EExtended strand (participates in β ladder)trans-135.7138.9179.9-47.1-92.1000109.8K219 V240 A242 T243 L283 R284 C286 K294K219-Y221 HydrophobicContact CB-CE1 4.41Å; K219-Y221 HydrophobicContact CB-CE2 3.58Å; K219-Y221 WeakPolarHBondContact CB-OH 3.41Å; K219-Y221 WeakPolarHBondContact CD-OH 3.33Å; Y221-V240 HydrophobicContact CD1-CG1 4.02Å; Y221-A242 CarbonylContact C-O 3.48Å; Y221-A242 VanDerWaalsContact CA-O 3.26Å; Y221-A242 WeakPolarHBondContact CA-O 3.01Å; Y221-T243 HydrophobicContact CD1-CG2 3.71Å; Y221-T243 WeakPolarHBondContact CD1-OG1 3.24Å; Y221-T243 HydrophobicContact CE1-CG2 3.62Å; Y221-L283 CarbonylContact O-C 3.56Å; Y221-L283 WeakPolarHBondContact O-CA 3.42Å; Y221-R284 PolarHBondContact N-O 3.43Å; Y221-R284 PolarHBondContact O-N 2.89Å; Y221-C286 HydrophobicContact CE2-CB 4.4Å; Y221-K294 PolarHBondContact OH-NZ 3.43Å; Y221-K294 VanDerWaalsContact OH-NZ 3.16Å
222I98.4Very high95.7Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-90.3124.4160.3-55.2177.9000106.4I202 V241 A242 I262 I264 Y281 M282 L283 L301 M303I202-I222 HydrophobicContact CD1-CD1 3.93Å; I222-V241 HydrophobicContact CB-CG2 3.59Å; I222-V241 HydrophobicContact CG2-CG2 3.36Å; I222-V241 WeakPolarHBondContact O-CG2 3.42Å; I222-V241 PolarHBondContact O-N 3.22Å; I222-A242 HydrophobicContact CB-CB 4.02Å; I222-A242 HydrophobicContact CD1-CB 3.97Å; I222-A242 HydrophobicContact CG1-CB 4.04Å; I222-A242 PolarHBondContact N-O 3.03Å; I222-A242 PolarHBondContact O-N 3.45Å; I222-I262 HydrophobicContact CD1-CD1 4.28Å; I222-I262 HydrophobicContact CD1-CG1 4.26Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; I222-I262 HydrophobicContact CG1-CD1 3.86Å; I222-I262 HydrophobicContact CG1-CG1 4.39Å; I222-I264 HydrophobicContact CD1-CG1 3.89Å; I222-Y281 HydrophobicContact CG2-CD1 4.33Å; I222-M282 CarbonylContact C-O 3.44Å; I222-M282 WeakPolarHBondContact CA-O 3.36Å; I222-L283 HydrophobicContact CG1-CD1 4.27Å; I222-L301 HydrophobicContact CG1-CD1 4.45Å; I222-L301 HydrophobicContact CG2-CD1 4.1Å; I222-M303 HydrophobicContact CG2-CE 4.05Å
223T98.1Very high95.7Very high3 Ų338.3 Ų38.32%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-115.5133176.453.90000110.7A239 V240 Y281 M282 R284T223-A239 CarbonylContact C-O 3.58Å; T223-A239 VanDerWaalsContact CA-O 3.29Å; T223-A239 WeakPolarHBondContact CA-O 3.29Å; T223-V240 HydrophobicContact CG2-CG2 4.09Å; T223-Y281 CarbonylContact O-C 3.51Å; T223-Y281 WeakPolarHBondContact O-CA 3.46Å; T223-M282 PolarHBondContact N-O 3.09Å; T223-M282 PolarHBondContact O-N 2.8Å; T223-M282 PolarHBondContact OG1-O 3.23Å; T223-R284 HydrophobicContact CG2-CG 4.49Å
224Q98.1Very high95.8Very high26 Ų2639.5 Ų39.512%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-95.4128.3167.8-173.1-168.767.700108.9Q226 Q238 A239 V241 V279 E280 Y281Q224-Q226 HydrophobicContact CG-CG 4.47Å; Q224-Q238 CarbonylContact O-C 3.54Å; Q224-Q238 WeakPolarHBondContact O-CA 3.19Å; Q224-A239 PolarHBondContact N-O 2.64Å; Q224-A239 PolarHBondContact O-N 2.95Å; Q224-V241 HydrophobicContact CB-CG1 3.83Å; Q224-V279 HydrophobicContact CG-CG1 3.9Å; Q224-E280 CarbonylContact C-O 3.59Å; Q224-E280 WeakPolarHBondContact CA-O 3.39Å; Q224-Y281 HydrophobicContact CB-CD1 3.9Å; Q224-Y281 HydrophobicContact CB-CE1 3.65Å; Q224-Y281 HydrophobicContact CG-CD1 4.16Å; Q224-Y281 HydrophobicContact CG-CE1 3.65Å; Q224-Y281 HydrophobicContact CG-CE2 4.47Å; Q224-Y281 PolarHBondContact NE2-OH 2.78Å
225T97.8Very high95.9Very high11 Ų1138.6 Ų38.67%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-112.7117.1173-56.70000108.8Q238 E280T225-Q238 PolarHBondContact OG1-NE2 2.84Å; T225-Q238 VanDerWaalsContact OG1-NE2 3.07Å; T225-E280 PolarHBondContact N-O 3.16Å; T225-E280 PolarHBondContact O-N 2.81Å
226Q97.6Very high96Very high20 Ų2041 Ų419%0.09322%0.216CC..EExtended strand (participates in β ladder)trans-98117.9172.8-56.7178.1-4.500108.2F121 Q224 F228 Q236 K237 K278F121-Q226 HydrophobicContact CZ-CG 4.17Å; Q224-Q226 HydrophobicContact CG-CG 4.47Å; Q226-F228 HydrophobicContact CB-CE2 3.79Å; Q226-F228 HydrophobicContact CB-CZ 3.96Å; Q226-Q236 CarbonylContact O-C 3.46Å; Q226-Q236 VanDerWaalsContact O-CA 3.3Å; Q226-Q236 WeakPolarHBondContact O-CA 3.38Å; Q226-K237 HydrophobicContact CB-CB 4.45Å; Q226-K237 PolarHBondContact N-O 3.28Å; Q226-K237 PolarHBondContact O-N 3.06Å; Q226-K278 CarbonylContact C-O 3.58Å; Q226-K278 WeakPolarHBondContact CA-O 3.47Å
227T97.4Very high96Very high7 Ų745.3 Ų45.34%0.04324%0.235CC..EExtended strand (participates in β ladder)trans-111.6127.3179.2-57.30000109.8L229 M234 Q236 I277 K278T227-L229 HydrophobicContact CG2-CD1 4.01Å; T227-L229 HydrophobicContact CG2-CG 4.19Å; T227-M234 HydrophobicContact CG2-CB 4.46Å; T227-M234 HydrophobicContact CG2-CE 3.75Å; T227-Q236 HydrophobicContact CG2-CG 3.99Å; T227-Q236 PolarHBondContact OG1-NE2 2.81Å; T227-I277 CarbonylContact O-C 3.52Å; T227-I277 WeakPolarHBondContact O-CA 3.22Å; T227-K278 PolarHBondContact N-O 2.81Å; T227-K278 PolarHBondContact O-N 2.94Å
228F97.7Very high96.1Very high0 Ų047.5 Ų47.50%024%0.242CC..EExtended strand (participates in β ladder)trans-116.5125.7177.6-53-87.8000108.3V57 W59 F121 H125 Q226 M234 K235 I276 I277V57-F228 HydrophobicContact CG1-CB 4.14Å; V57-F228 HydrophobicContact CG1-CD1 3.96Å; W59-F228 HydrophobicContact CE3-CB 4.41Å; W59-F228 HydrophobicContact CZ3-CB 3.92Å; F121-F228 HydrophobicContact CE1-CE1 4.03Å; F121-F228 HydrophobicContact CE1-CZ 4.27Å; H125-F228 HydrophobicContact CB-CB 4.25Å; H125-F228 HydrophobicContact CB-CD1 3.99Å; H125-F228 HydrophobicContact CB-CD2 3.7Å; H125-F228 HydrophobicContact CB-CE1 4.25Å; H125-F228 HydrophobicContact CB-CE2 3.99Å; H125-F228 HydrophobicContact CB-CG 3.71Å; H125-F228 HydrophobicContact CB-CZ 4.26Å; Q226-F228 HydrophobicContact CB-CE2 3.79Å; Q226-F228 HydrophobicContact CB-CZ 3.96Å; F228-M234 CarbonylContact O-C 3.59Å; F228-M234 WeakPolarHBondContact O-CA 2.91Å; F228-K235 WeakPolarHBondContact CD2-O 3.27Å; F228-K235 PolarHBondContact N-O 3Å; F228-K235 PolarHBondContact O-N 3.26Å; F228-I276 CarbonylContact C-O 3.5Å; F228-I276 WeakPolarHBondContact CA-O 3.46Å; F228-I277 HydrophobicContact CD1-CG1 4.16Å
229L96.7Very high96.1Very high52 Ų5249.3 Ų49.327%0.27226%0.257SS..EExtended strand (participates in β ladder)trans-116.8128.2-176.6-55.2101.1000110.4V57 T227 T233 M234 I276 K278V57-L229 WeakPolarHBondContact CG2-O 2.99Å; T227-L229 HydrophobicContact CG2-CD1 4.01Å; T227-L229 HydrophobicContact CG2-CG 4.19Å; L229-T233 WeakPolarHBondContact CA-O 3.38Å; L229-M234 HydrophobicContact CG-CB 4.46Å; L229-I276 PolarHBondContact N-O 2.9Å; L229-I276 WeakPolarHBondContact O-CB 3.08Å; L229-K278 HydrophobicContact CD1-CG 4.46Å
230A96.1Very high96.1Very high1 Ų150.2 Ų50.21%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-150.3132.617700000110.3V57 W59 D77 G232 T233V57-A230 HydrophobicContact CG2-CB 3.84Å; W59-A230 HydrophobicContact CH2-CB 3.36Å; W59-A230 HydrophobicContact CZ2-CB 4.17Å; W59-A230 HydrophobicContact CZ3-CB 3.56Å; D77-A230 HydrophobicContact CB-CB 3.92Å; A230-G232 PolarHBondContact O-N 3.44Å; A230-G232 VanDerWaalsContact O-N 3.17Å; A230-T233 PolarHBondContact N-O 3.41Å; A230-T233 PolarHBondContact O-N 2.82Å; A230-T233 PolarHBondContact O-OG1 2.86Å
231R90.2Very high96Very high173 Ų17352.1 Ų52.165%0.65328%0.279SS*.THydrogen-bonded Turntrans50.540.7175.3-56.8-176.8176.4-168.7-5.1113.7T233R231-T233 PolarHBondContact O-N 2.85Å
232G88.8Confident96Very high91 Ų9151.1 Ų51.194%0.93828%0.278SS*.THydrogen-bonded Turntrans73.80.7-178.900000115.4A230A230-G232 PolarHBondContact O-N 3.44Å; A230-G232 VanDerWaalsContact O-N 3.17Å
233T93.7Very high96Very high47 Ų4755 Ų5529%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-10515917365.60000110.7W59 Y75 L229 A230 R231W59-T233 WeakPolarHBondContact CZ2-OG1 3.2Å; Y75-T233 HydrophobicContact CD1-CG2 4.23Å; Y75-T233 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T233 HydrophobicContact CE1-CG2 3.57Å; Y75-T233 VanDerWaalsContact CE1-OG1 3.26Å; Y75-T233 WeakPolarHBondContact CE1-OG1 3.02Å; L229-T233 WeakPolarHBondContact CA-O 3.38Å; A230-T233 PolarHBondContact N-O 3.41Å; A230-T233 PolarHBondContact O-N 2.82Å; A230-T233 PolarHBondContact O-OG1 2.86Å; R231-T233 PolarHBondContact O-N 2.85Å
234M94.5Very high95.9Very high101 Ų10156 Ų5650%0.49831%0.307SS..EExtended strand (participates in β ladder)trans-132.8143.917863.3-175.8-7800112T227 F228 L229 Q236T227-M234 HydrophobicContact CG2-CB 4.46Å; T227-M234 HydrophobicContact CG2-CE 3.75Å; F228-M234 CarbonylContact O-C 3.59Å; F228-M234 WeakPolarHBondContact O-CA 2.91Å; L229-M234 HydrophobicContact CG-CB 4.46Å; M234-Q236 HydrophobicContact CE-CG 3.48Å; M234-Q236 VanDerWaalsContact CE-CG 3.48Å
235K95.3Very high95.7Very high67 Ų6757.6 Ų57.629%0.29132%0.321SS..EExtended strand (participates in β ladder)trans-116.6132.2168.9-156.469.7166.3-173.60108.4W59 E61 F228W59-K235 HydrophobicContact CD2-CB 4.09Å; W59-K235 HydrophobicContact CE3-CB 4.44Å; W59-K235 HydrophobicContact CH2-CB 4.44Å; W59-K235 HydrophobicContact CZ2-CB 4.15Å; E61-K235 IonicContact OE1-NZ 3.1Å; E61-K235 PolarHBondContact OE1-NZ 3.4Å; F228-K235 WeakPolarHBondContact CD2-O 3.27Å; F228-K235 PolarHBondContact N-O 3Å; F228-K235 PolarHBondContact O-N 3.26Å
236Q95.9Very high95.5Very high111 Ų11157.7 Ų57.752%0.51932%0.324SS..EExtended strand (participates in β ladder)trans-117.4141.3176.6-73-175.5-45.100111.1Q226 T227 M234Q226-Q236 CarbonylContact O-C 3.46Å; Q226-Q236 VanDerWaalsContact O-CA 3.3Å; Q226-Q236 WeakPolarHBondContact O-CA 3.38Å; T227-Q236 HydrophobicContact CG2-CG 3.99Å; T227-Q236 PolarHBondContact OG1-NE2 2.81Å; M234-Q236 HydrophobicContact CE-CG 3.48Å; M234-Q236 VanDerWaalsContact CE-CG 3.48Å
237K95.4Very high95.4Very high94 Ų9461.7 Ų61.741%0.40935%0.346SS..EExtended strand (participates in β ladder)trans-123.5122167.1-177.8-174.8176.9-169.10107.7K124 Q226K124-K237 HydrophobicContact CB-CD 4.28Å; Q226-K237 HydrophobicContact CB-CB 4.45Å; Q226-K237 PolarHBondContact N-O 3.28Å; Q226-K237 PolarHBondContact O-N 3.06Å
238Q96.8Very high95.3Very high92 Ų9266.2 Ų66.243%0.4337%0.374SS..EExtended strand (participates in β ladder)trans-108.3138.4175.2-174.5165.771.600110.1Q224 T225 R284Q224-Q238 CarbonylContact O-C 3.54Å; Q224-Q238 WeakPolarHBondContact O-CA 3.19Å; T225-Q238 PolarHBondContact OG1-NE2 2.84Å; T225-Q238 VanDerWaalsContact OG1-NE2 3.07Å; Q238-R284 VanDerWaalsContact CD-NH1 3.28Å; Q238-R284 VanDerWaalsContact NE2-CZ 3.28Å
239A96.8Very high95.2Very high38 Ų3866.5 Ų66.531%0.31438%0.375SS..EExtended strand (participates in β ladder)trans-134139.5175.700000110.4T223 Q224T223-A239 CarbonylContact C-O 3.58Å; T223-A239 VanDerWaalsContact CA-O 3.29Å; T223-A239 WeakPolarHBondContact CA-O 3.29Å; Q224-A239 PolarHBondContact N-O 2.64Å; Q224-A239 PolarHBondContact O-N 2.95Å
240V97.6Very high95.2Very high85 Ų8564.9 Ų64.952%0.51537%0.371SS..EExtended strand (participates in β ladder)trans-81.2122.6169177.40000107.5Y221 T223 T243Y221-V240 HydrophobicContact CD1-CG1 4.02Å; T223-V240 HydrophobicContact CG2-CG2 4.09Å; V240-T243 WeakPolarHBondContact CG1-OG1 3.14Å
241V96.8Very high95.1Very high41 Ų4166.7 Ų66.725%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-101-31.7-179.3-56.60000112.2I222 Q224 P265 V267I222-V241 HydrophobicContact CB-CG2 3.59Å; I222-V241 HydrophobicContact CG2-CG2 3.36Å; I222-V241 WeakPolarHBondContact O-CG2 3.42Å; I222-V241 PolarHBondContact O-N 3.22Å; Q224-V241 HydrophobicContact CB-CG1 3.83Å; V241-P265 HydrophobicContact CB-CG 4.33Å; V241-P265 WeakPolarHBondContact O-CG 3.48Å; V241-V267 HydrophobicContact CB-CG1 4.29Å; V241-V267 HydrophobicContact CG1-CG1 4.38Å
242A97.4Very high95.3Very high14 Ų1464.6 Ų64.612%0.11638%0.384CS..EExtended strand (participates in β ladder)trans-142.4150.4176.200000110.3Y221 I222 I262Y221-A242 CarbonylContact C-O 3.48Å; Y221-A242 VanDerWaalsContact CA-O 3.26Å; Y221-A242 WeakPolarHBondContact CA-O 3.01Å; I222-A242 HydrophobicContact CB-CB 4.02Å; I222-A242 HydrophobicContact CD1-CB 3.97Å; I222-A242 HydrophobicContact CG1-CB 4.04Å; I222-A242 PolarHBondContact N-O 3.03Å; I222-A242 PolarHBondContact O-N 3.45Å; A242-I262 HydrophobicContact CB-CD1 4.01Å; A242-I262 HydrophobicContact CB-CG1 4.05Å
243T97.4Very high95.7Very high82 Ų8268.5 Ų68.550%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-136.2138.6178.6-590000110.1A220 Y221 V240A220-T243 CarbonylContact O-C 3.56Å; A220-T243 WeakPolarHBondContact O-CA 3.32Å; Y221-T243 HydrophobicContact CD1-CG2 3.71Å; Y221-T243 WeakPolarHBondContact CD1-OG1 3.24Å; Y221-T243 HydrophobicContact CE1-CG2 3.62Å; V240-T243 WeakPolarHBondContact CG1-OG1 3.14Å
244L95.5Very high95.8Very high24 Ų2473.5 Ų73.513%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-128.1128.1171.2171.266000107.4K219 A220 W257 R260 I262K219-L244 CarbonylContact C-O 3.41Å; K219-L244 WeakPolarHBondContact CA-O 3.2Å; A220-L244 HydrophobicContact CB-CB 4.25Å; A220-L244 HydrophobicContact CB-CD2 4.39Å; A220-L244 PolarHBondContact N-O 3.08Å; A220-L244 PolarHBondContact O-N 2.75Å; L244-W257 HydrophobicContact CD2-CE3 4.39Å; L244-W257 HydrophobicContact CD2-CH2 4.37Å; L244-W257 HydrophobicContact CD2-CZ3 3.95Å; L244-W257 HydrophobicContact CG-CH2 4.49Å; L244-R260 HydrophobicContact CD1-CG 3.98Å; L244-R260 HydrophobicContact CD2-CB 4.08Å; L244-R260 HydrophobicContact CD2-CG 3.81Å; L244-R260 HydrophobicContact CG-CG 4.36Å; L244-I262 HydrophobicContact CB-CB 4.22Å; L244-I262 HydrophobicContact CB-CD1 3.93Å; L244-I262 HydrophobicContact CB-CG1 4.23Å; L244-I262 HydrophobicContact CD2-CB 4.25Å
245S95.1Very high95.9Very high59 Ų5970.2 Ų70.241%0.41337%0.367SS..EExtended strand (participates in β ladder)trans-111.1137.9176.6-61.90000110.6R260S245-R260 VanDerWaalsContact O-CZ 3.27Å; S245-R260 PolarHBondContact O-NH2 2.85Å
246G93.8Very high96Very high12 Ų1269.5 Ų69.512%0.12437%0.368CS..  trans-83.8177.4172.500000113.4P218P218-G246 WeakPolarHBondContact O-CA 3.44Å; P218-G246 PolarHBondContact O-N 2.95Å
247D94Very high96.1Very high104 Ų10464.6 Ų64.656%0.55635%0.345SS*.  trans-82.2168.7171.8-59.7-61.4000110.1P218 V249 R260P218-D247 WeakPolarHBondContact CD-O 3.17Å; D247-V249 PolarHBondContact O-N 3.28Å; D247-R260 IonicContact OD2-NH1 3.71Å; D247-R260 IonicContact OD2-NH2 3.78Å
248V95.4Very high96.1Very high103 Ų10367.7 Ų67.762%0.62436%0.361SS*.  trans-74.6122.9179.1-178.80000109.3V217V217-V248 HydrophobicContact CG2-CG2 4.15Å
249V95.8Very high96Very high5 Ų564.2 Ų64.23%0.0335%0.35CS..BIsolated β-bridgetrans-89.5115.6171.8-170.10000108.8N210 S215 V216 P218 D247 R253 E255N210-V249 HydrophobicContact CB-CG1 3.81Å; N210-V249 PolarHBondContact ND2-O 2.9Å; S215-V249 CarbonylContact C-O 3.51Å; S215-V249 WeakPolarHBondContact CA-O 3.49Å; S215-V249 WeakPolarHBondContact CB-O 3.4Å; V216-V249 HydrophobicContact CG2-CB 3.81Å; V216-V249 HydrophobicContact CG2-CG2 4.37Å; V216-V249 PolarHBondContact N-O 3.3Å; V216-V249 PolarHBondContact O-N 2.85Å; P218-V249 HydrophobicContact CG-CG2 4.03Å; D247-V249 PolarHBondContact O-N 3.28Å; V249-R253 HydrophobicContact CG1-CB 4.03Å; V249-E255 HydrophobicContact CG1-CB 4.44Å; V249-E255 HydrophobicContact CG2-CB 3.55Å; V249-E255 HydrophobicContact CG2-CG 4.35Å; V249-E255 WeakPolarHBondContact CG2-OE2 3.08Å
250G95.9Very high96Very high19 Ų1966 Ų6620%0.19635%0.348CS..  trans-61.8165.4174.400000113N210 R253N210-G250 PolarHBondContact ND2-O 3.03Å; G250-R253 WeakPolarHBondContact O-CB 3.3Å; G250-R253 PolarHBondContact O-N 2.8Å
251A94.7Very high95.9Very high38 Ų3864.8 Ų64.831%0.31435%0.348SS..THydrogen-bonded Turntrans-58.4142.5172.500000111.7T212 R253T212-A251 WeakPolarHBondContact O-CA 3.2Å; T212-A251 WeakPolarHBondContact O-CB 3.47Å; A251-R253 PolarHBondContact O-N 2.88Å
252Q95.1Very high95.9Very high129 Ų12963.1 Ų63.160%0.60334%0.337SS*.THydrogen-bonded Turntrans53.836.7-179-52.8-60.5-53.300113.4N210 A211 T212N210-Q252 CarbonylContact O-C 3.32Å; N210-Q252 WeakPolarHBondContact O-CA 3.38Å; N210-Q252 PolarHBondContact O-N 2.93Å; A211-Q252 PolarHBondContact O-NE2 2.82Å; T212-Q252 VanDerWaalsContact C-NE2 3.25Å; T212-Q252 PolarHBondContact O-N 3.4Å; T212-Q252 VanDerWaalsContact O-N 3.14Å; T212-Q252 PolarHBondContact O-NE2 2.74Å
253R96.7Very high95.9Very high174 Ų17469.3 Ų69.366%0.65736%0.361SS*.EExtended strand (participates in β ladder)trans-126.3158.4178.7-67.5-172.6-179.9-139.9-0.6111.2N210 V249 G250 A251N210-R253 WeakPolarHBondContact CA-O 3.19Å; N210-R253 VanDerWaalsContact CB-O 3.31Å; N210-R253 WeakPolarHBondContact CB-O 3.43Å; N210-R253 PolarHBondContact N-O 2.86Å; N210-R253 PolarHBondContact O-N 2.78Å; V249-R253 HydrophobicContact CG1-CB 4.03Å; G250-R253 WeakPolarHBondContact O-CB 3.3Å; G250-R253 PolarHBondContact O-N 2.8Å; A251-R253 PolarHBondContact O-N 2.88Å
254R95.9Very high95.9Very high151 Ų15165.4 Ų65.457%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-111.8143.4171.7-171178-66.5-177.80110F208 D209F208-R254 CarbonylContact O-C 3.54Å; F208-R254 VanDerWaalsContact O-CA 3.25Å; F208-R254 WeakPolarHBondContact O-CA 3.04Å; F208-R254 WeakPolarHBondContact O-CG 3.25Å; D209-R254 IonicContact OD2-CZ 3.66Å; D209-R254 IonicContact OD2-NE 2.75Å; D209-R254 PolarHBondContact OD2-NE 2.83Å; D209-R254 IonicContact OD2-NH2 3.59Å; D209-R254 PolarHBondContact OD2-NH2 2.96Å
255E96.7Very high95.9Very high32 Ų3266.1 Ų66.115%0.1534%0.343CS..EExtended strand (participates in β ladder)trans-123.7141.5166.9-177.7-175.616700109.3F208 P218 V249 W257 R260F208-E255 HydrophobicContact CD2-CB 4.49Å; F208-E255 PolarHBondContact N-O 2.86Å; F208-E255 PolarHBondContact O-N 2.88Å; P218-E255 VanDerWaalsContact CG-OE2 3.27Å; P218-E255 WeakPolarHBondContact CG-OE2 3.42Å; V249-E255 HydrophobicContact CG1-CB 4.44Å; V249-E255 HydrophobicContact CG2-CB 3.55Å; V249-E255 HydrophobicContact CG2-CG 4.35Å; V249-E255 WeakPolarHBondContact CG2-OE2 3.08Å; E255-W257 PolarHBondContact OE1-NE1 3.31Å; E255-R260 IonicContact OE1-NH1 3.55Å
256T97.3Very high95.9Very high52 Ų5269.5 Ų69.532%0.31936%0.364SS..EExtended strand (participates in β ladder)trans-124.4130.1176.5-56.40000109.9A206 E207 H258A206-T256 CarbonylContact O-C 3.6Å; A206-T256 WeakPolarHBondContact O-CA 3.06Å; E207-T256 HydrophobicContact CG-CG2 3.89Å; T256-H258 VanDerWaalsContact CG2-CE1 3.46Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.31Å
257W97.8Very high96Very high8 Ų870.4 Ų70.43%0.0337%0.367CS..EExtended strand (participates in β ladder)trans-94.3119.3168.4-67.7-1.1000109.5V204 F205 A206 F208 P218 A220 L244 E255 G259 R260V204-W257 HydrophobicContact CB-CE3 4.35Å; V204-W257 HydrophobicContact CG1-CE3 4.01Å; V204-W257 HydrophobicContact CG1-CZ3 4.26Å; F205-W257 WeakPolarHBondContact CA-O 3.04Å; A206-W257 HydrophobicContact CB-CB 4.27Å; A206-W257 HydrophobicContact CB-CD2 4.43Å; A206-W257 HydrophobicContact CB-CE3 4.09Å; A206-W257 PolarHBondContact N-O 2.75Å; A206-W257 VanDerWaalsContact N-O 3.12Å; A206-W257 PolarHBondContact O-N 3.12Å; F208-W257 AromaticContact CE2-CD2 3.6Å; F208-W257 HydrophobicContact CE2-CD2 3.6Å; F208-W257 AromaticContact CE2-CE2 3.49Å; F208-W257 VanDerWaalsContact CE2-CE2 3.49Å; F208-W257 HydrophobicContact CE2-CE3 4.06Å; F208-W257 AromaticContact CE2-CG 3.95Å; F208-W257 HydrophobicContact CE2-CG 3.95Å; F208-W257 HydrophobicContact CE2-CH2 4.3Å; F208-W257 AromaticContact CE2-CZ2 3.86Å; F208-W257 HydrophobicContact CE2-CZ2 3.86Å; F208-W257 HydrophobicContact CE2-CZ3 4.39Å; F208-W257 AromaticContact CE2-NE1 3.75Å; F208-W257 HydrophobicContact CZ-CD2 4.12Å; F208-W257 HydrophobicContact CZ-CE3 4.13Å; F208-W257 AromaticContact CZ-CH2 3.97Å; F208-W257 HydrophobicContact CZ-CH2 3.97Å; F208-W257 AromaticContact CZ-CZ2 3.95Å; F208-W257 HydrophobicContact CZ-CZ2 3.95Å; F208-W257 HydrophobicContact CZ-CZ3 4.06Å; P218-W257 HydrophobicContact CB-CH2 4.34Å; P218-W257 HydrophobicContact CB-CZ2 3.73Å; P218-W257 HydrophobicContact CG-CZ2 4.05Å; A220-W257 HydrophobicContact CB-CH2 4.16Å; A220-W257 HydrophobicContact CB-CZ3 3.82Å; L244-W257 HydrophobicContact CD2-CE3 4.39Å; L244-W257 HydrophobicContact CD2-CH2 4.37Å; L244-W257 HydrophobicContact CD2-CZ3 3.95Å; L244-W257 HydrophobicContact CG-CH2 4.49Å; E255-W257 PolarHBondContact OE1-NE1 3.31Å; W257-G259 PolarHBondContact O-N 2.84Å; W257-R260 HydrophobicContact CB-CB 4.04Å; W257-R260 HydrophobicContact CD2-CB 4.14Å; W257-R260 HydrophobicContact CE3-CB 4.2Å; W257-R260 HydrophobicContact CG-CB 4.09Å
258H95.2Very high96Very high159 Ų15967.4 Ų67.474%0.73636%0.361SS*.EExtended strand (participates in β ladder)trans-9870176.6-63.4-75.2000110.4T256T256-H258 VanDerWaalsContact CG2-CE1 3.46Å; T256-H258 WeakPolarHBondContact CG2-CE1 3.31Å
259G95Very high96Very high20 Ų2063.9 Ų63.921%0.20634%0.34CS..EExtended strand (participates in β ladder)trans76.841.817900000113V204 F205 W257 A261V204-G259 CarbonylContact O-C 3.52Å; V204-G259 WeakPolarHBondContact O-CA 3.36Å; V204-G259 PolarHBondContact O-N 3Å; F205-G259 VanDerWaalsContact CD1-N 3.29Å; W257-G259 PolarHBondContact O-N 2.84Å; G259-A261 PolarHBondContact O-N 2.8Å
260R96.3Very high96Very high75 Ų7563.8 Ų63.828%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-63.6122.9179.1-162.4176.5-173.7145.51.2109.2V204 L244 S245 D247 E255 W257V204-R260 PolarHBondContact N-O 2.95Å; V204-R260 PolarHBondContact O-N 2.84Å; L244-R260 HydrophobicContact CD1-CG 3.98Å; L244-R260 HydrophobicContact CD2-CB 4.08Å; L244-R260 HydrophobicContact CD2-CG 3.81Å; L244-R260 HydrophobicContact CG-CG 4.36Å; S245-R260 VanDerWaalsContact O-CZ 3.27Å; S245-R260 PolarHBondContact O-NH2 2.85Å; D247-R260 IonicContact OD2-NH1 3.71Å; D247-R260 IonicContact OD2-NH2 3.78Å; E255-R260 IonicContact OE1-NH1 3.55Å; W257-R260 HydrophobicContact CB-CB 4.04Å; W257-R260 HydrophobicContact CD2-CB 4.14Å; W257-R260 HydrophobicContact CE3-CB 4.2Å; W257-R260 HydrophobicContact CG-CB 4.09Å
261A96Very high96Very high60 Ų6063.2 Ų63.250%0.49633%0.332SS..EExtended strand (participates in β ladder)trans-76.1127.8-170.100000113V201 G259V201-A261 HydrophobicContact CG1-CB 3.43Å; V201-A261 VanDerWaalsContact CG1-CB 3.43Å; G259-A261 PolarHBondContact O-N 2.8Å
262I97.3Very high95.6Very high5 Ų566 Ų663%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-117.1120.4164.9-173.3166000109.9I202 V204 I222 A242 L244 L283I202-I262 HydrophobicContact CB-CG2 3.73Å; I202-I262 HydrophobicContact CG1-CG2 4.4Å; I202-I262 PolarHBondContact N-O 3.3Å; I202-I262 PolarHBondContact O-N 2.97Å; V204-I262 HydrophobicContact CG2-CG2 3.84Å; I222-I262 HydrophobicContact CD1-CD1 4.28Å; I222-I262 HydrophobicContact CD1-CG1 4.26Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; I222-I262 HydrophobicContact CG1-CD1 3.86Å; I222-I262 HydrophobicContact CG1-CG1 4.39Å; A242-I262 HydrophobicContact CB-CD1 4.01Å; A242-I262 HydrophobicContact CB-CG1 4.05Å; L244-I262 HydrophobicContact CB-CB 4.22Å; L244-I262 HydrophobicContact CB-CD1 3.93Å; L244-I262 HydrophobicContact CB-CG1 4.23Å; L244-I262 HydrophobicContact CD2-CB 4.25Å; I262-L283 HydrophobicContact CG2-CD1 4.45Å
263K96.9Very high95.2Very high144 Ų14466.6 Ų66.663%0.62634%0.344SS*.EExtended strand (participates in β ladder)trans-83.1133.7-179-173.9174.6-178.8176.30111V201V201-K263 HydrophobicContact CG2-CB 4.35Å; V201-K263 HydrophobicContact CG2-CG 4.36Å
264I97.1Very high94.9Very high0 Ų058.5 Ų58.50%031%0.314CS..PPolyproline II helixtrans-82.9120.4174.6-56.6171.2000108.4Y196 G199 E200 I202 I222 V267 M303Y196-I264 VanDerWaalsContact CB-CD1 3.42Å; Y196-I264 HydrophobicContact CD1-CD1 4.32Å; Y196-I264 HydrophobicContact CG-CD1 3.94Å; G199-I264 VanDerWaalsContact CA-O 3.24Å; G199-I264 WeakPolarHBondContact CA-O 3.23Å; G199-I264 PolarHBondContact N-O 2.84Å; E200-I264 HydrophobicContact CB-CD1 4.24Å; E200-I264 WeakPolarHBondContact O-CB 3.35Å; E200-I264 WeakPolarHBondContact O-CG1 3.5Å; E200-I264 PolarHBondContact O-N 2.85Å; I202-I264 HydrophobicContact CD1-CD1 3.93Å; I202-I264 HydrophobicContact CD1-CG1 4.09Å; I202-I264 HydrophobicContact CG1-CD1 3.84Å; I202-I264 HydrophobicContact CG1-CG1 4.05Å; I222-I264 HydrophobicContact CD1-CG1 3.89Å; I264-V267 HydrophobicContact CG2-CG2 4.13Å; I264-M303 HydrophobicContact CD1-CE 4.2Å; I264-M303 HydrophobicContact CD1-SD 4.2Å; I264-M303 HydrophobicContact CG1-CE 4.4Å; I264-M303 HydrophobicContact CG2-CE 3.79Å; I264-M303 HydrophobicContact CG2-SD 3.98Å
265P96.4Very high94.8Very high39 Ų3960.9 Ų60.925%0.25332%0.323SS..PPolyproline II helixtrans-72.9169.2175.228.6-31.1000111.4V241 V267V241-P265 HydrophobicContact CB-CG 4.33Å; V241-P265 WeakPolarHBondContact O-CG 3.48Å; P265-V267 HydrophobicContact CG-CG1 3.95Å; P265-V267 PolarHBondContact O-N 2.85Å
266P94.9Very high94.7Very high131 Ų13159.7 Ų59.785%0.85132%0.317SS*.SBendtrans-60.599171.6-21.733.9000110.9
267V95.5Very high94.7Very high30 Ų3057.2 Ų57.218%0.18230%0.302CS..  trans-125155178.8-64.60000109.7P198 V241 I264 P265 Y281 M303P198-V267 HydrophobicContact CG-CG2 4.41Å; P198-V267 WeakPolarHBondContact CG-O 3.24Å; V241-V267 HydrophobicContact CB-CG1 4.29Å; V241-V267 HydrophobicContact CG1-CG1 4.38Å; I264-V267 HydrophobicContact CG2-CG2 4.13Å; P265-V267 HydrophobicContact CG-CG1 3.95Å; P265-V267 PolarHBondContact O-N 2.85Å; V267-Y281 HydrophobicContact CB-CE1 4.31Å; V267-Y281 HydrophobicContact CG2-CE1 4.04Å; V267-M303 HydrophobicContact CG2-CE 4.5Å; V267-M303 HydrophobicContact CG2-CG 4.29Å; V267-M303 HydrophobicContact CG2-SD 4.42Å
268G93.9Very high94.7Very high41 Ų4160.7 Ų60.742%0.42332%0.318SS..PPolyproline II helixtrans-68.4160.9175.600000112.7Y281G268-Y281 PolarHBondContact O-OH 3.17Å
269P95.5Very high94.8Very high30 Ų3053.2 Ų53.220%0.19528%0.283CS..PPolyproline II helixtrans-65.8165.7177.729-35.9000112.6T119 I156 M303 T305T119-P269 HydrophobicContact CG2-CG 3.76Å; I156-P269 HydrophobicContact CD1-CB 4.24Å; P269-M303 WeakPolarHBondContact CA-O 3.31Å; P269-T305 HydrophobicContact CB-CG2 3.69Å; P269-T305 HydrophobicContact CG-CG2 3.94Å
270S96.8Very high94.9Very high2 Ų255.7 Ų55.71%0.01429%0.289CS..PPolyproline II helixtrans-66.2146.7170.6-74.30000111.4I156 V279 Y281 M303I156-S270 WeakPolarHBondContact CD1-O 3.4Å; S270-V279 WeakPolarHBondContact CA-O 3.2Å; S270-Y281 WeakPolarHBondContact OG-CD2 3.16Å; S270-M303 PolarHBondContact N-O 2.98Å; S270-M303 PolarHBondContact OG-N 2.85Å
271I95.8Very high95Very high7 Ų752.2 Ų52.24%0.03628%0.276CS..BIsolated β-bridgetrans-115.8101.2174.3-58.9178.9000108V118 F121 C274 V279V118-I271 HydrophobicContact CG1-CG2 3.82Å; F121-I271 HydrophobicContact CB-CD1 3.46Å; F121-I271 VanDerWaalsContact CB-CD1 3.46Å; F121-I271 HydrophobicContact CD1-CD1 4.29Å; F121-I271 HydrophobicContact CD2-CD1 3.74Å; F121-I271 HydrophobicContact CG-CD1 3.55Å; I271-C274 HydrophobicContact CG2-CB 3.69Å; I271-V279 HydrophobicContact CB-CB 4Å; I271-V279 HydrophobicContact CB-CG2 4.13Å; I271-V279 HydrophobicContact CD1-CB 4.29Å; I271-V279 HydrophobicContact CD1-CG2 3.68Å; I271-V279 HydrophobicContact CG1-CB 4.02Å; I271-V279 HydrophobicContact CG1-CG2 3.97Å; I271-V279 PolarHBondContact N-O 2.78Å; I271-V279 PolarHBondContact O-N 2.89Å
272L85.8Confident95.1Very high97 Ų9751.5 Ų51.551%0.50826%0.263SS..  trans-102.5-33.6-173.8-55179.8000112.6V302L272-V302 HydrophobicContact CD1-CG1 4.38Å
273Q85.8Confident95.1Very high141 Ų14151.2 Ų51.266%0.65926%0.262SS*.SBendtrans-100.123.8-170-69.1171.2-43.600113.9
274C91.9Very high95.2Very high5 Ų547 Ų473%0.03424%0.242CC..  trans-107138.1174.8-176.80000112.2Y81 V118 I271 I277Y81-C274 WeakPolarHBondContact OH-CA 3.26Å; Y81-C274 PolarHBondContact OH-SG 2.94Å; V118-C274 HydrophobicContact CG1-CB 3.72Å; V118-C274 HydrophobicContact CG2-CB 3.97Å; I271-C274 HydrophobicContact CG2-CB 3.69Å; C274-I277 WeakPolarHBondContact CB-O 3.39Å
275R92.2Very high95.3Very high200 Ų20047 Ų4776%0.75524%0.242SC*.SBendtrans-75-37.2-174.6-66.2-177.4-178.7178.41.8112.7V79 Y81V79-R275 HydrophobicContact CG2-CB 4.35Å; Y81-R275 PolarHBondContact OH-N 2.88Å
276I96.4Very high95.3Very high7 Ų745.2 Ų45.24%0.03623%0.23CC..SBendtrans-113.1-10.9-170.756.4166.9000113.6A55 V57 D77 V79 F228 L229A55-I276 HydrophobicContact CB-CD1 3.78Å; A55-I276 HydrophobicContact CB-CG1 3.9Å; A55-I276 WeakPolarHBondContact O-CD1 3.26Å; V57-I276 HydrophobicContact CG1-CB 4.3Å; V57-I276 HydrophobicContact CG1-CD1 4.14Å; V57-I276 HydrophobicContact CG1-CG1 4.31Å; V57-I276 HydrophobicContact CG2-CB 4.36Å; V57-I276 HydrophobicContact CG2-CD1 4.18Å; D77-I276 HydrophobicContact CB-CG2 4.13Å; V79-I276 HydrophobicContact CB-CD1 4.26Å; V79-I276 HydrophobicContact CB-CG1 4.44Å; V79-I276 HydrophobicContact CG2-CD1 3.86Å; V79-I276 HydrophobicContact CG2-CG1 3.9Å; V79-I276 HydrophobicContact CG2-CG2 3.82Å; F228-I276 CarbonylContact C-O 3.5Å; F228-I276 WeakPolarHBondContact CA-O 3.46Å; L229-I276 PolarHBondContact N-O 2.9Å; L229-I276 WeakPolarHBondContact O-CB 3.08Å
277I97.3Very high95.3Very high0 Ų039 Ų390%019%0.19CC..EExtended strand (participates in β ladder)trans-131.4135.1177.5-61.6173.4000108.5A55 V57 F121 V128 T227 F228 C274A55-I277 HydrophobicContact CB-CD1 4.32Å; V57-I277 HydrophobicContact CG1-CD1 3.85Å; V57-I277 HydrophobicContact CG1-CG1 3.4Å; V57-I277 VanDerWaalsContact CG1-CG1 3.4Å; F121-I277 HydrophobicContact CD1-CD1 4.49Å; F121-I277 HydrophobicContact CD1-CG2 3.79Å; F121-I277 HydrophobicContact CE1-CG2 3.83Å; V128-I277 HydrophobicContact CG2-CD1 3.92Å; T227-I277 CarbonylContact O-C 3.52Å; T227-I277 WeakPolarHBondContact O-CA 3.22Å; F228-I277 HydrophobicContact CD1-CG1 4.16Å; C274-I277 WeakPolarHBondContact CB-O 3.39Å
278K96.6Very high95.1Very high81 Ų8141.2 Ų41.235%0.35220%0.201SC..EExtended strand (participates in β ladder)trans-133140.5170.9-56.7-177.4177.8-175.60110.2Q226 T227 L229Q226-K278 CarbonylContact C-O 3.58Å; Q226-K278 WeakPolarHBondContact CA-O 3.47Å; T227-K278 PolarHBondContact N-O 2.81Å; T227-K278 PolarHBondContact O-N 2.94Å; L229-K278 HydrophobicContact CD1-CG 4.46Å
279V97.6Very high94.9Very high2 Ų239.3 Ų39.31%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-126.1107.8174.5-179.50000108F121 Q224 S270 I271 Y281F121-V279 HydrophobicContact CD2-CG2 3.93Å; F121-V279 HydrophobicContact CE1-CG2 4.27Å; F121-V279 HydrophobicContact CE2-CG2 3.51Å; F121-V279 HydrophobicContact CG-CG2 4.47Å; F121-V279 HydrophobicContact CZ-CG2 3.71Å; Q224-V279 HydrophobicContact CG-CG1 3.9Å; S270-V279 WeakPolarHBondContact CA-O 3.2Å; I271-V279 HydrophobicContact CB-CB 4Å; I271-V279 HydrophobicContact CB-CG2 4.13Å; I271-V279 HydrophobicContact CD1-CB 4.29Å; I271-V279 HydrophobicContact CD1-CG2 3.68Å; I271-V279 HydrophobicContact CG1-CB 4.02Å; I271-V279 HydrophobicContact CG1-CG2 3.97Å; I271-V279 PolarHBondContact N-O 2.78Å; I271-V279 PolarHBondContact O-N 2.89Å; V279-Y281 HydrophobicContact CG1-CE2 4Å
280E97.4Very high94.6Very high72 Ų7240.8 Ų40.834%0.33619%0.19SC..EExtended strand (participates in β ladder)trans-119.2146.6-172.6-63.8174.3120.500110.1Q224 T225Q224-E280 CarbonylContact C-O 3.59Å; Q224-E280 WeakPolarHBondContact CA-O 3.39Å; T225-E280 PolarHBondContact N-O 3.16Å; T225-E280 PolarHBondContact O-N 2.81Å
281Y98.1Very high94.1Very high3 Ų343.7 Ų43.71%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-119.2146.5177-65.9-93.4000110.3I222 T223 Q224 V267 G268 S270 V279 L301 M303I222-Y281 HydrophobicContact CG2-CD1 4.33Å; T223-Y281 CarbonylContact O-C 3.51Å; T223-Y281 WeakPolarHBondContact O-CA 3.46Å; Q224-Y281 HydrophobicContact CB-CD1 3.9Å; Q224-Y281 HydrophobicContact CB-CE1 3.65Å; Q224-Y281 HydrophobicContact CG-CD1 4.16Å; Q224-Y281 HydrophobicContact CG-CE1 3.65Å; Q224-Y281 HydrophobicContact CG-CE2 4.47Å; Q224-Y281 PolarHBondContact NE2-OH 2.78Å; V267-Y281 HydrophobicContact CB-CE1 4.31Å; V267-Y281 HydrophobicContact CG2-CE1 4.04Å; G268-Y281 PolarHBondContact O-OH 3.17Å; S270-Y281 WeakPolarHBondContact OG-CD2 3.16Å; V279-Y281 HydrophobicContact CG1-CE2 4Å; Y281-L301 PolarHBondContact O-N 2.82Å; Y281-L301 VanDerWaalsContact O-O 3.11Å; Y281-M303 HydrophobicContact CD1-CE 3.93Å; Y281-M303 HydrophobicContact CD1-CG 3.99Å; Y281-M303 HydrophobicContact CD2-CB 3.94Å; Y281-M303 HydrophobicContact CD2-CG 3.32Å; Y281-M303 HydrophobicContact CE1-CE 4.44Å; Y281-M303 HydrophobicContact CE1-CG 4.08Å; Y281-M303 HydrophobicContact CE2-CB 3.76Å; Y281-M303 HydrophobicContact CE2-CG 3.41Å; Y281-M303 VanDerWaalsContact CE2-CG 3.41Å; Y281-M303 HydrophobicContact CG-CE 4.07Å; Y281-M303 HydrophobicContact CG-CG 3.6Å
282M97.9Very high93.8Very high44 Ų4444.5 Ų44.522%0.21723%0.226CC..EExtended strand (participates in β ladder)trans-140.3138.7176.4-64.2178.7174.200110I222 T223I222-M282 CarbonylContact C-O 3.44Å; I222-M282 WeakPolarHBondContact CA-O 3.36Å; T223-M282 PolarHBondContact N-O 3.09Å; T223-M282 PolarHBondContact O-N 2.8Å; T223-M282 PolarHBondContact OG1-O 3.23Å
283L98.4Very high94.1Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-87.4116.7162.4178.166000108.3I191 V204 A220 Y221 I222 I262 V285 L299 L301I191-L283 HydrophobicContact CD1-CD2 4.5Å; I191-L283 HydrophobicContact CG2-CD2 3.53Å; V204-L283 HydrophobicContact CG1-CD2 4.48Å; V204-L283 HydrophobicContact CG2-CD1 4.49Å; V204-L283 HydrophobicContact CG2-CD2 3.92Å; A220-L283 HydrophobicContact CB-CD1 4.25Å; Y221-L283 CarbonylContact O-C 3.56Å; Y221-L283 WeakPolarHBondContact O-CA 3.42Å; I222-L283 HydrophobicContact CG1-CD1 4.27Å; I262-L283 HydrophobicContact CG2-CD1 4.45Å; L283-V285 HydrophobicContact CD2-CG2 4.38Å; L283-V285 HydrophobicContact CG-CG2 4.22Å; L283-L299 HydrophobicContact CB-CB 4.31Å; L283-L299 HydrophobicContact CD2-CD1 4.4Å; L283-L299 PolarHBondContact N-O 3.43Å; L283-L299 PolarHBondContact O-N 2.82Å; L283-L301 HydrophobicContact CB-CD1 3.97Å; L283-L301 HydrophobicContact CB-CD2 4.37Å; L283-L301 HydrophobicContact CB-CG 4.17Å
284R98.1Very high94.4Very high55 Ų5541.3 Ų41.321%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-105110.2177.1-65.9-173.6160.4173.9-4.8109.6A220 Y221 T223 Q238 L297 E298A220-R284 CarbonylContact C-O 3.5Å; A220-R284 VanDerWaalsContact CA-O 3.24Å; A220-R284 WeakPolarHBondContact CA-O 3.48Å; Y221-R284 PolarHBondContact N-O 3.43Å; Y221-R284 PolarHBondContact O-N 2.89Å; T223-R284 HydrophobicContact CG2-CG 4.49Å; Q238-R284 VanDerWaalsContact CD-NH1 3.28Å; Q238-R284 VanDerWaalsContact NE2-CZ 3.28Å; R284-L297 CarbonylContact C-O 3.55Å; R284-L297 WeakPolarHBondContact CA-O 3.39Å; R284-E298 HydrophobicContact CG-CG 4.2Å; R284-E298 IonicContact CZ-OE1 2.74Å; R284-E298 IonicContact NE-OE1 2.76Å; R284-E298 PolarHBondContact NE-OE1 2.76Å; R284-E298 IonicContact NH2-OE1 3.55Å; R284-E298 PolarHBondContact NH2-OE1 2.9Å
285V98.1Very high94.6Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-98.1118.2173.2-174.80000107.9I187 A189 V204 A206 F208 A220 L283 C296 L297I187-V285 HydrophobicContact CG2-CB 4.44Å; I187-V285 HydrophobicContact CG2-CG1 3.88Å; A189-V285 HydrophobicContact CB-CB 4.18Å; A189-V285 HydrophobicContact CB-CG1 4.27Å; A189-V285 HydrophobicContact CB-CG2 3.91Å; V204-V285 HydrophobicContact CG1-CG2 4.14Å; A206-V285 HydrophobicContact CB-CG1 4.37Å; F208-V285 HydrophobicContact CE1-CG1 3.66Å; F208-V285 HydrophobicContact CZ-CG1 3.63Å; A220-V285 HydrophobicContact CB-CG2 4.34Å; L283-V285 HydrophobicContact CD2-CG2 4.38Å; L283-V285 HydrophobicContact CG-CG2 4.22Å; V285-C296 WeakPolarHBondContact O-CA 3.06Å; V285-L297 PolarHBondContact N-O 2.91Å; V285-L297 PolarHBondContact O-N 2.89Å
286C97.2Very high94.8Very high1 Ų133 Ų331%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-136.8155.3-168.6-55.80000113.4P218 K219 Y221 K294 L295 C296P218-C286 CarbonylContact C-O 3.59Å; P218-C286 WeakPolarHBondContact CA-O 3.33Å; K219-C286 PolarHBondContact N-O 3Å; K219-C286 PolarHBondContact O-N 2.87Å; K219-C286 VanDerWaalsContact O-O 3.13Å; Y221-C286 HydrophobicContact CE2-CB 4.4Å; C286-K294 HydrophobicContact CB-CD 4.13Å; C286-K294 HydrophobicContact CB-CG 4.1Å; C286-K294 VanDerWaalsContact SG-CE 3.55Å; C286-L295 CarbonylContact C-O 3.54Å; C286-L295 WeakPolarHBondContact CA-O 3.31Å; C286-L295 VanDerWaalsContact CB-O 3.31Å; C286-L295 WeakPolarHBondContact CB-O 3.43Å; C286-C296 HydrophobicContact CB-CB 4.1Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CB 3.39Å; C286-C296 CovalentContact SG-SG 2.05Å; C286-C296 PolarHBondContact SG-SG 2.91Å
287V95.9Very high94.9Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-126.3130171.5178.30000108.8V185 I187 F208 V216 P218 V289 L295V185-V287 HydrophobicContact CG2-CB 4.32Å; V185-V287 HydrophobicContact CG2-CG1 3.99Å; I187-V287 HydrophobicContact CD1-CB 4Å; I187-V287 HydrophobicContact CD1-CG2 3.61Å; I187-V287 HydrophobicContact CG1-CB 4.46Å; I187-V287 HydrophobicContact CG1-CG2 3.79Å; F208-V287 HydrophobicContact CD1-CG2 3.37Å; F208-V287 HydrophobicContact CE1-CG2 3.81Å; F208-V287 HydrophobicContact CG-CG2 4.36Å; V216-V287 HydrophobicContact CB-CG1 3.45Å; V216-V287 VanDerWaalsContact CB-CG1 3.45Å; V216-V287 HydrophobicContact CG1-CG1 4.07Å; V216-V287 HydrophobicContact CG2-CG1 3.56Å; P218-V287 HydrophobicContact CB-CG2 4.27Å; V287-V289 HydrophobicContact CG1-CG2 4.24Å; V287-L295 PolarHBondContact N-O 2.97Å; V287-L295 PolarHBondContact O-N 3.07Å
288D91.6Very high94.9Very high78 Ų7837.6 Ų37.642%0.41721%0.21SC..EExtended strand (participates in β ladder)trans-95.1119.9172.5-165.4-4000109.6
289V89.7Confident95Very high0 Ų034 Ų340%019%0.194CC..  trans-108.6112.2178.7-1770000107.7A175 V185 V216 V287 G291 T292A175-V289 HydrophobicContact CB-CG1 3.99Å; V185-V289 HydrophobicContact CB-CG2 4.32Å; V185-V289 HydrophobicContact CG1-CG2 3.79Å; V185-V289 HydrophobicContact CG2-CG2 4.49Å; V216-V289 HydrophobicContact CG1-CB 4.35Å; V216-V289 HydrophobicContact CG1-CG1 4.37Å; V216-V289 HydrophobicContact CG1-CG2 3.85Å; V287-V289 HydrophobicContact CG1-CG2 4.24Å; V289-G291 PolarHBondContact O-N 2.89Å; V289-T292 WeakPolarHBondContact CB-OG1 3.34Å; V289-T292 PolarHBondContact O-N 2.91Å; V289-T292 PolarHBondContact O-OG1 2.78Å
290P89Confident95Very high61 Ų6136.7 Ų36.740%0.39621%0.212SC..THydrogen-bonded Turntrans-51.7127.1-173.5-28.433.9000112.5R214R214-P290 PolarHBondContact NH1-O 2.84Å
291G86.3Confident95Very high63 Ų6333.6 Ų33.665%0.64920%0.197SC*.THydrogen-bonded Turntrans85.7-1.8178.900000115.4V177 V289V177-G291 WeakPolarHBondContact CG2-O 3.27Å; V289-G291 PolarHBondContact O-N 2.89Å
292T89.4Confident95Very high24 Ų2433.8 Ų33.815%0.14720%0.199CC..SBendtrans-126.6173.7175.476.50000111.6K173 A175 V177 V289K173-T292 PolarHBondContact NZ-OG1 2.75Å; A175-T292 HydrophobicContact CB-CG2 4.11Å; V177-T292 HydrophobicContact CG2-CG2 3.48Å; V177-T292 VanDerWaalsContact CG2-CG2 3.48Å; V289-T292 WeakPolarHBondContact CB-OG1 3.34Å; V289-T292 PolarHBondContact O-N 2.91Å; V289-T292 PolarHBondContact O-OG1 2.78Å
293S90.8Very high94.9Very high79 Ų7931.7 Ų31.755%0.55219%0.189SC*.PPolyproline II helixtrans-61.5150.1173.254.20000113.2K173 L295K173-S293 PolarHBondContact NZ-O 2.72Å; K173-S293 PolarHBondContact NZ-OG 3.48Å; S293-L295 PolarHBondContact O-N 2.97Å
294K92.9Very high94.8Very high92 Ų9231.8 Ų31.840%0.419%0.189SC..PPolyproline II helixtrans-65.3134.3173.5-167174.8-178.6174.60110.8Y221 C286Y221-K294 PolarHBondContact OH-NZ 3.43Å; Y221-K294 VanDerWaalsContact OH-NZ 3.16Å; C286-K294 HydrophobicContact CB-CD 4.13Å; C286-K294 HydrophobicContact CB-CG 4.1Å; C286-K294 VanDerWaalsContact SG-CE 3.55Å
295L95.7Very high94.5Very high5 Ų531.6 Ų31.63%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-89.9123167.8177.357.2000108K171 K173 V185 I187 C286 V287 S293K171-L295 HydrophobicContact CB-CD1 4.3Å; K171-L295 HydrophobicContact CD-CD1 3.78Å; K171-L295 HydrophobicContact CG-CD1 3.79Å; K173-L295 HydrophobicContact CB-CD1 4.05Å; K173-L295 HydrophobicContact CB-CD2 4.14Å; K173-L295 HydrophobicContact CB-CG 4.48Å; V185-L295 HydrophobicContact CG1-CB 4.47Å; V185-L295 HydrophobicContact CG1-CD2 3.8Å; V185-L295 HydrophobicContact CG2-CD2 4.41Å; V185-L295 WeakPolarHBondContact O-CD2 3.42Å; I187-L295 HydrophobicContact CD1-CB 4.21Å; I187-L295 HydrophobicContact CD1-CD2 3.96Å; I187-L295 HydrophobicContact CD1-CG 3.69Å; I187-L295 WeakPolarHBondContact CD1-O 3.3Å; I187-L295 HydrophobicContact CG1-CD2 3.81Å; I187-L295 HydrophobicContact CG1-CG 4.11Å; C286-L295 CarbonylContact C-O 3.54Å; C286-L295 WeakPolarHBondContact CA-O 3.31Å; C286-L295 VanDerWaalsContact CB-O 3.31Å; C286-L295 WeakPolarHBondContact CB-O 3.43Å; V287-L295 PolarHBondContact N-O 2.97Å; V287-L295 PolarHBondContact O-N 3.07Å; S293-L295 PolarHBondContact O-N 2.97Å
296C97.1Very high94.3Very high27 Ų2734.4 Ų34.418%0.18221%0.209CC..EExtended strand (participates in β ladder)trans-133.2129.3178.8-74.30000111K171 V285 C286K171-C296 WeakPolarHBondContact CD-O 3.4Å; K171-C296 PolarHBondContact NZ-O 2.84Å; V285-C296 WeakPolarHBondContact O-CA 3.06Å; C286-C296 HydrophobicContact CB-CB 4.1Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CB 3.39Å; C286-C296 CovalentContact SG-SG 2.05Å; C286-C296 PolarHBondContact SG-SG 2.91Å
297L98Very high94Very high15 Ų1537.9 Ų37.98%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-97.7133.2165.3175.464.2000108.6G169 K171 I187 A189 R284 V285G169-L297 WeakPolarHBondContact O-CD2 3.02Å; K171-L297 HydrophobicContact CB-CD1 4.4Å; I187-L297 HydrophobicContact CG2-CB 4.32Å; I187-L297 HydrophobicContact CG2-CD2 4.38Å; A189-L297 HydrophobicContact CB-CD2 3.67Å; R284-L297 CarbonylContact C-O 3.55Å; R284-L297 WeakPolarHBondContact CA-O 3.39Å; V285-L297 PolarHBondContact N-O 2.91Å; V285-L297 PolarHBondContact O-N 2.89Å
298E98Very high93.6Very high88 Ų8840.6 Ų40.641%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-114.6125.9-177.4-53.1-169.4133.400109.9R284R284-E298 HydrophobicContact CG-CG 4.2Å; R284-E298 IonicContact CZ-OE1 2.74Å; R284-E298 IonicContact NE-OE1 2.76Å; R284-E298 PolarHBondContact NE-OE1 2.76Å; R284-E298 IonicContact NH2-OE1 3.55Å; R284-E298 PolarHBondContact NH2-OE1 2.9Å
299L98Very high93.2Very high5 Ų542.2 Ų42.23%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-115.9113.8176.3-60.4179.5000108.2Q167 A189 I191 L283Q167-L299 HydrophobicContact CB-CD2 4.38Å; A189-L299 HydrophobicContact CB-CD1 4.28Å; I191-L299 HydrophobicContact CD1-CB 4.29Å; I191-L299 HydrophobicContact CD1-CD1 4.42Å; I191-L299 HydrophobicContact CG1-CD1 4.24Å; I191-L299 HydrophobicContact CG2-CD1 4.3Å; L283-L299 HydrophobicContact CB-CB 4.31Å; L283-L299 HydrophobicContact CD2-CD1 4.4Å; L283-L299 PolarHBondContact N-O 3.43Å; L283-L299 PolarHBondContact O-N 2.82Å
300P97.5Very high92.1Very high59 Ų5947.8 Ų47.838%0.38329%0.287SS..EExtended strand (participates in β ladder)trans-62.8137.7-177.6-23.933.8000113.1Q167Q167-P300 VanDerWaalsContact CD-O 3.3Å; Q167-P300 PolarHBondContact NE2-O 3.17Å; Q167-P300 PolarHBondContact OE1-O 3.36Å; Q167-P300 VanDerWaalsContact OE1-O 3.08Å
301L97.4Very high90.4Very high6 Ų653.1 Ų53.13%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-118.6152175.7-60.6179.1000111.1I191 K194 Y196 I202 I222 Y281 L283 M303I191-L301 HydrophobicContact CD1-CD2 3.65Å; K194-L301 WeakPolarHBondContact O-CA 3.18Å; Y196-L301 HydrophobicContact CD2-CD2 4.03Å; Y196-L301 HydrophobicContact CE2-CD2 3.76Å; I202-L301 HydrophobicContact CD1-CD1 3.82Å; I202-L301 HydrophobicContact CD1-CD2 4.3Å; I222-L301 HydrophobicContact CG1-CD1 4.45Å; I222-L301 HydrophobicContact CG2-CD1 4.1Å; Y281-L301 PolarHBondContact O-N 2.82Å; Y281-L301 VanDerWaalsContact O-O 3.11Å; L283-L301 HydrophobicContact CB-CD1 3.97Å; L283-L301 HydrophobicContact CB-CD2 4.37Å; L283-L301 HydrophobicContact CB-CG 4.17Å; L301-M303 HydrophobicContact CD1-CE 4.37Å
302V97.1Very high88.9Confident8 Ų853.9 Ų53.95%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-122122.9168.9176.20000108.6I156 L163 K194 G195 Y196 L272I156-V302 HydrophobicContact CG2-CG1 4.06Å; L163-V302 HydrophobicContact CD1-CB 4.46Å; L163-V302 HydrophobicContact CD1-CG1 4.09Å; L163-V302 HydrophobicContact CD2-CB 3.82Å; L163-V302 HydrophobicContact CD2-CG1 4.21Å; L163-V302 HydrophobicContact CD2-CG2 3.67Å; K194-V302 HydrophobicContact CD-CG2 4.47Å; K194-V302 HydrophobicContact CG-CG2 4.21Å; K194-V302 PolarHBondContact O-N 3.07Å; G195-V302 WeakPolarHBondContact CA-O 3.49Å; Y196-V302 PolarHBondContact N-O 2.79Å; L272-V302 HydrophobicContact CD1-CG1 4.38Å
303M97.3Very high86.7Confident0 Ų056.7 Ų56.70%033%0.333CS..EExtended strand (participates in β ladder)trans-90.5108.5174.3-63-61.6-179.400108.3Y196 I222 I264 V267 P269 S270 Y281 L301Y196-M303 CarbonylContact O-C 3.54Å; Y196-M303 WeakPolarHBondContact O-CA 3.42Å; I222-M303 HydrophobicContact CG2-CE 4.05Å; I264-M303 HydrophobicContact CD1-CE 4.2Å; I264-M303 HydrophobicContact CD1-SD 4.2Å; I264-M303 HydrophobicContact CG1-CE 4.4Å; I264-M303 HydrophobicContact CG2-CE 3.79Å; I264-M303 HydrophobicContact CG2-SD 3.98Å; V267-M303 HydrophobicContact CG2-CE 4.5Å; V267-M303 HydrophobicContact CG2-CG 4.29Å; V267-M303 HydrophobicContact CG2-SD 4.42Å; P269-M303 WeakPolarHBondContact CA-O 3.31Å; S270-M303 PolarHBondContact N-O 2.98Å; S270-M303 PolarHBondContact OG-N 2.85Å; Y281-M303 HydrophobicContact CD1-CE 3.93Å; Y281-M303 HydrophobicContact CD1-CG 3.99Å; Y281-M303 HydrophobicContact CD2-CB 3.94Å; Y281-M303 HydrophobicContact CD2-CG 3.32Å; Y281-M303 HydrophobicContact CE1-CE 4.44Å; Y281-M303 HydrophobicContact CE1-CG 4.08Å; Y281-M303 HydrophobicContact CE2-CB 3.76Å; Y281-M303 HydrophobicContact CE2-CG 3.41Å; Y281-M303 VanDerWaalsContact CE2-CG 3.41Å; Y281-M303 HydrophobicContact CG-CE 4.07Å; Y281-M303 HydrophobicContact CG-CG 3.6Å; L301-M303 HydrophobicContact CD1-CE 4.37Å
304G95.4Very high84.7Confident1 Ų165 Ų651%0.0135%0.352CS..  trans-93.5176.6179.900000113.5Y196Y196-G304 PolarHBondContact O-N 2.84Å
305T93Very high82.4Confident52 Ų5266 Ų6632%0.31937%0.366SS..SBendtrans-114.9-21.5178.653.80000112.9I153 P155 I156 P269I153-T305 HydrophobicContact CG2-CG2 3.87Å; P155-T305 WeakPolarHBondContact CA-OG1 3.42Å; I156-T305 PolarHBondContact N-OG1 2.72Å; I156-T305 PolarHBondContact O-N 2.05Å; P269-T305 HydrophobicContact CB-CG2 3.69Å; P269-T305 HydrophobicContact CG-CG2 3.94Å
306I92.8Very high79.7Confident59 Ų5971.9 Ų71.930%0.30341%0.407SS..BIsolated β-bridgetrans-99.1120.7173.7-59.3167.3000107.7P155 I156 D157 I158P155-I306 HydrophobicContact CB-CD1 3.85Å; P155-I306 HydrophobicContact CB-CG1 4.46Å; I156-I306 PolarHBondContact O-N 2.89Å; D157-I306 HydrophobicContact CB-CD1 4.03Å; I158-I306 WeakPolarHBondContact CG1-O 3.38Å
307P90.9Very high76.9Confident73 Ų7374.4 Ų74.447%0.47443%0.425SS..PPolyproline II helixtrans-71.4162.5-17729.7-34.8000112.7N159 T197 H309N159-P307 PolarHBondContact ND2-O 3.37Å; N159-P307 VanDerWaalsContact ND2-O 3.08Å; T197-P307 HydrophobicContact CG2-CB 4.13Å; P307-H309 PolarHBondContact O-N 2.81Å
308L87.3Confident74.4Confident57 Ų5780.8 Ų80.830%0.29846%0.464SS..PPolyproline II helixtrans-64.3132176-170.386.2000109.5I158 N159 L164 P310I158-L308 HydrophobicContact CD1-CB 4Å; I158-L308 HydrophobicContact CG1-CB 4.42Å; N159-L308 WeakPolarHBondContact OD1-CA 3.41Å; N159-L308 WeakPolarHBondContact OD1-CD1 3.47Å; L164-L308 HydrophobicContact CD2-CD1 3.33Å; L308-P310 WeakPolarHBondContact O-CD 3.46Å
309H83.2Confident71.5Confident112 Ų11281.4 Ų81.452%0.51948%0.478SS..PPolyproline II helixtrans-68.5124.7171.3-64.5-61000110.4N159 P307 F311N159-H309 PolarHBondContact ND2-CD2 2.95Å; N159-H309 PolarHBondContact OD1-N 3.02Å; P307-H309 PolarHBondContact O-N 2.81Å; H309-F311 PolarHBondContact O-N 2.94Å
310P66.4Low68.7Low118 Ų11886 Ų8677%0.76651%0.511SS*.SBendtrans-63-23.5178.6-6.412.4000112.8L308L308-P310 WeakPolarHBondContact O-CD 3.46Å
311F54.2Low66.1Low172 Ų17291.3 Ų91.375%0.75453%0.531SS*.SBendtrans-101.793176.8-59.9-79.6000109.3H309 S313H309-F311 PolarHBondContact O-N 2.94Å; F311-S313 PolarHBondContact O-N 3.36Å
312G55.5Low63.3Low79 Ų79101.1 Ų101.181%0.81457%0.569SS**  trans-59.5101.1159.200000108.5
313S42.1Very low60.3Low84 Ų84105.7 Ų105.759%0.58760%0.601SS**  trans-144.986.8178.2-76.20000110.1F311 T315F311-S313 PolarHBondContact O-N 3.36Å; S313-T315 VanDerWaalsContact C-N 3.25Å; S313-T315 PolarHBondContact O-N 2.82Å
314R48.6Very low57.6Low254 Ų254112.9 Ų112.996%0.95865%0.645SS**SBendtrans46.111.7133.8-72.3-175.3156.3175.6-5.5122
315T44.3Very low55.2Low113 Ų113117.5 Ų117.569%0.69367%0.669SS**  trans-142.769173.861.90000112.1S313 S317S313-T315 VanDerWaalsContact C-N 3.25Å; S313-T315 PolarHBondContact O-N 2.82Å; T315-S317 VanDerWaalsContact C-N 3.34Å; T315-S317 PolarHBondContact O-N 3.22Å
316S38.9Very low53.1Low128 Ų128120.5 Ų120.590%0.89568%0.683SS**  trans-92.472.2160.739.30000109.6
317S38.9Very low50.8Low79 Ų79122.2 Ų122.255%0.55269%0.69SS**  trans-93.9142.4156.743.10000108.6T315 S319T315-S317 VanDerWaalsContact C-N 3.34Å; T315-S317 PolarHBondContact O-N 3.22Å; S317-S319 PolarHBondContact O-N 2.85Å
318V44.6Very low48.8Very low149 Ų149126.9 Ų126.990%0.90370%0.698SS**THydrogen-bonded Turntrans-69.937.1-172.6-174.90000112.3
319S38.3Very low46.8Very low101 Ų101127.7 Ų127.771%0.70670%0.702SS**THydrogen-bonded Turntrans-134-0.8-169-46.20000114.9S317 Q321S317-S319 PolarHBondContact O-N 2.85Å; S319-Q321 PolarHBondContact O-N 3.46Å
320S39.4Very low45.1Very low103 Ų103131.9 Ų131.972%0.7271%0.713SS**  trans-9047.617352.20000112.1Y322S320-Y322 VanDerWaalsContact C-N 3.29Å
321Q41.5Very low44.4Very low170 Ų170134.3 Ų134.379%0.79472%0.716SS**  trans-93.131.9166.3-74.2-169.6-15.700111.7S319S319-Q321 PolarHBondContact O-N 3.46Å
322Y38.8Very low44.2Very low212 Ų212129.2 Ų129.283%0.83171%0.706SS**SBendtrans-149.2130.4167.8-86.8-81.3000110.9S320S320-Y322 VanDerWaalsContact C-N 3.29Å
323S35.7Very low43.7Very low104 Ų104131 Ų13173%0.72770%0.696SS**  trans75.3104.7163.177.30000118.3N325S323-N325 VanDerWaalsContact C-N 3.31Å
324V40.1Very low43.8Very low150 Ų150132 Ų13291%0.90970%0.701SS**  trans-98.166.4130.6-72.30000107.5
325N44.1Very low43.8Very low98 Ų98129.8 Ų129.852%0.52470%0.701SS.*  trans-84.7109158.7-166.8-20.6000106.8S323 E327S323-N325 VanDerWaalsContact C-N 3.31Å; N325-E327 PolarHBondContact O-N 3.44Å; N325-E327 WeakPolarHBondContact OD1-CB 3.36Å; N325-E327 PolarHBondContact OD1-N 2.88Å; N325-E327 VanDerWaalsContact OD1-N 3.11Å; N325-E327 PolarHBondContact OD1-OE2 3.22Å
326L49.1Very low44.2Very low116 Ų116132 Ų13261%0.60770%0.704SS**THydrogen-bonded Turntrans-75.722-179.6-144.279.4000112.4W328 L329L326-W328 VanDerWaalsContact C-N 3.33Å; L326-W328 PolarHBondContact O-N 3.14Å; L326-L329 HydrophobicContact CD1-CD1 4Å; L326-L329 HydrophobicContact CD2-CD1 4.11Å; L326-L329 HydrophobicContact CG-CD1 3.84Å
327E44.2Very low44.8Very low95 Ų95131.7 Ų131.744%0.44470%0.698SS.*THydrogen-bonded Turntrans-69-28180-141.673.4-130.100112.7N325 L329 R330 M331N325-E327 PolarHBondContact O-N 3.44Å; N325-E327 WeakPolarHBondContact OD1-CB 3.36Å; N325-E327 PolarHBondContact OD1-N 2.88Å; N325-E327 VanDerWaalsContact OD1-N 3.11Å; N325-E327 PolarHBondContact OD1-OE2 3.22Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.29Å; E327-R330 WeakPolarHBondContact O-CB 3.1Å; E327-R330 PolarHBondContact O-N 2.87Å; E327-R330 VanDerWaalsContact O-N 3.1Å; E327-R330 IonicContact OE1-NH1 3.87Å; E327-M331 PolarHBondContact O-N 3.14Å
328W49Very low45.8Very low171 Ų171136.3 Ų136.365%0.64871%0.711SS**Hα-helixtrans-68.1-28.7-177.578.5-85.5000113.1L326 R330 M331 A332L326-W328 VanDerWaalsContact C-N 3.33Å; L326-W328 PolarHBondContact O-N 3.14Å; W328-R330 VanDerWaalsContact C-N 3.25Å; W328-R330 PolarHBondContact O-N 2.91Å; W328-M331 PolarHBondContact O-N 2.61Å; W328-A332 WeakPolarHBondContact O-CB 3.27Å; W328-A332 PolarHBondContact O-N 3.15Å
329L46.3Very low46.8Very low73 Ų73134.5 Ų134.538%0.38270%0.702SS.*Hα-helixtrans-69.5-23.7174.3-73.3177.6000112.2L326 E327L326-L329 HydrophobicContact CD1-CD1 4Å; L326-L329 HydrophobicContact CD2-CD1 4.11Å; L326-L329 HydrophobicContact CG-CD1 3.84Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.29Å
330R46.9Very low48.1Very low200 Ų200135.2 Ų135.276%0.75570%0.704SS**Hα-helixtrans-79.1-28.4173.4-95.3-176.8171.6167.4-2.9113.5E327 W328E327-R330 WeakPolarHBondContact O-CB 3.1Å; E327-R330 PolarHBondContact O-N 2.87Å; E327-R330 VanDerWaalsContact O-N 3.1Å; E327-R330 IonicContact OE1-NH1 3.87Å; W328-R330 VanDerWaalsContact C-N 3.25Å; W328-R330 PolarHBondContact O-N 2.91Å
331M51.6Low49.4Very low169 Ų169135 Ų13583%0.83370%0.7SS**Hα-helixtrans-92.2-13.5-175.7-66.9-72.9-77.200113.6E327 W328E327-M331 PolarHBondContact O-N 3.14Å; W328-M331 PolarHBondContact O-N 2.61Å
332A49.5Very low50.6Low66 Ų66132.4 Ų132.455%0.54569%0.692SS.*SBendtrans-103.7-5.4-174.100000114.7W328W328-A332 WeakPolarHBondContact O-CB 3.27Å; W328-A332 PolarHBondContact O-N 3.15Å
333I45.1Very low51.4Low116 Ų116130.6 Ų130.660%0.59569%0.685SS**SBendtrans-114.5110.9178.4-54.5175.9000107.2E335I333-E335 PolarHBondContact O-N 3.02Å
334P45.3Very low52.7Low106 Ų106129.6 Ų129.669%0.68868%0.678SS**  trans-54.5131.3168.8-20.631.4000109.3Q336P334-Q336 PolarHBondContact O-N 3.49Å
335E47.6Very low53.9Low206 Ų206126.4 Ų126.496%0.96366%0.663SS**SBendtrans-63-4.2-177.3-79-169.6146.100114.3I333I333-E335 PolarHBondContact O-N 3.02Å
336Q53.1Low55Low161 Ų161126.5 Ų126.575%0.75267%0.666SS**SBendtrans-117.5113.4178.9-161.8169.9-9.700109.9P334 E338P334-Q336 PolarHBondContact O-N 3.49Å; Q336-E338 PolarHBondContact O-N 2.6Å; Q336-E338 VanDerWaalsContact O-N 3.11Å
337P52.8Low55.6Low120 Ų120122.5 Ų122.578%0.77965%0.647SS**  trans-67112171.825.2-29.2000108.4
338E59.3Low56.8Low177 Ų177121.7 Ų121.783%0.82765%0.648SS**PPolyproline II helixtrans-66.8134.8167.9-75.2-174.4162.200108.9Q336Q336-E338 PolarHBondContact O-N 2.6Å; Q336-E338 VanDerWaalsContact O-N 3.11Å
339P65.5Low57.6Low110 Ų110120.1 Ų120.171%0.71465%0.653SS**PPolyproline II helixtrans-61.2145.2174.426.5-32.5000109.4
340P64.6Low58.6Low116 Ų116123.9 Ų123.975%0.75367%0.668SS**PPolyproline II helixtrans-56145174.824.1-32.7000110.2
341P68.3Low59.3Low98 Ų98119 Ų11964%0.63665%0.654SS**PPolyproline II helixtrans-59144.9179.723.7-32.6000110.9V346P341-V346 HydrophobicContact CG-CG2 4.47Å
342D65Low59.7Low117 Ų117112.8 Ų112.863%0.62663%0.63SS**PPolyproline II helixtrans-65.2141.3179.4-164.713.3000110.2S344 S345D342-S344 PolarHBondContact O-N 2.81Å; D342-S344 VanDerWaalsContact O-N 3.15Å; D342-S344 PolarHBondContact OD2-OG 3.47Å; D342-S345 WeakPolarHBondContact O-CB 3.48Å; D342-S345 PolarHBondContact O-N 3.5Å; D342-S345 PolarHBondContact O-OG 2.74Å
343Y56.4Low60.3Low174 Ų174116.5 Ų116.568%0.68264%0.636SS**G310 helixtrans-60.4-32.5-170-172.2-96000112.7S345 V346 V347Y343-S345 PolarHBondContact O-N 3.01Å; Y343-V346 PolarHBondContact O-N 2.97Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; Y343-V347 HydrophobicContact CE1-CB 4.07Å; Y343-V347 HydrophobicContact CE1-CG2 3.96Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 PolarHBondContact O-N 2.85Å
344S63.7Low61Low82 Ų82118.1 Ų118.157%0.57364%0.641SS**G310 helixtrans-66.1-13.3175.356.60000114.3D342D342-S344 PolarHBondContact O-N 2.81Å; D342-S344 VanDerWaalsContact O-N 3.15Å; D342-S344 PolarHBondContact OD2-OG 3.47Å
345S65.2Low61.6Low84 Ų84119.6 Ų119.659%0.58764%0.643SS**G310 helixtrans-87.7-12.817571.80000113.8D342 Y343D342-S345 WeakPolarHBondContact O-CB 3.48Å; D342-S345 PolarHBondContact O-N 3.5Å; D342-S345 PolarHBondContact O-OG 2.74Å; Y343-S345 PolarHBondContact O-N 3.01Å
346V66.6Low61.9Low99 Ų99115.6 Ų115.660%0.663%0.633SS**THydrogen-bonded Turntrans-115.7-25.1-173.1-156.90000112.2P341 Y343P341-V346 HydrophobicContact CG-CG2 4.47Å; Y343-V346 PolarHBondContact O-N 2.97Å; Y343-V346 VanDerWaalsContact O-N 3.16Å
347V62Low61.8Low32 Ų32116.2 Ų116.219%0.19464%0.638CS.*SBendtrans-123119.9177.1-176.90000108Y343 E351 A352Y343-V347 HydrophobicContact CE1-CB 4.07Å; Y343-V347 HydrophobicContact CE1-CG2 3.96Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 PolarHBondContact O-N 2.85Å; V347-E351 HydrophobicContact CG1-CB 4.01Å; V347-A352 HydrophobicContact CG1-CB 4.24Å
348T69.8Low61.4Low78 Ų78113.8 Ų113.848%0.47963%0.628SS.*  trans-72.9149.717456.60000110.2E350 E351 A352T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 VanDerWaalsContact O-N 3.07Å; T348-E351 PolarHBondContact N-OE2 3.49Å; T348-E351 VanDerWaalsContact N-OE2 3.14Å; T348-E351 PolarHBondContact O-N 2.96Å; T348-E351 WeakPolarHBondContact OG1-CG 3.49Å; T348-E351 PolarHBondContact OG1-OE2 2.78Å; T348-A352 PolarHBondContact O-N 2.77Å
349D65.4Low60.6Low138 Ų138113.8 Ų113.874%0.73863%0.628SS**Hα-helixtrans-56.3-29-179.5-71-34.9000112.1A352 E353D349-A352 PolarHBondContact O-N 2.85Å; D349-E353 PolarHBondContact O-N 3.08Å; D349-E353 VanDerWaalsContact O-N 3.15Å
350E66.6Low59.5Low153 Ų153120.3 Ų120.372%0.71564%0.638SS**Hα-helixtrans-68.2-38176.2-62.8179164.700112.9T348 Q354T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 VanDerWaalsContact O-N 3.07Å; E350-Q354 PolarHBondContact O-N 2.76Å; E350-Q354 VanDerWaalsContact O-N 3.14Å
351E62.9Low58.3Low96 Ų96120.1 Ų120.145%0.44964%0.636SS.*Hα-helixtrans-73.3-31.3176.9-73.9169.5135.200112.2V347 T348 N355V347-E351 HydrophobicContact CG1-CB 4.01Å; T348-E351 PolarHBondContact N-OE2 3.49Å; T348-E351 VanDerWaalsContact N-OE2 3.14Å; T348-E351 PolarHBondContact O-N 2.96Å; T348-E351 WeakPolarHBondContact OG1-CG 3.49Å; T348-E351 PolarHBondContact OG1-OE2 2.78Å; E351-N355 PolarHBondContact O-N 3.5Å; E351-N355 VanDerWaalsContact O-N 3.15Å
352A60Low57.3Low40 Ų40125 Ų12533%0.33165%0.651SS.*Hα-helixtrans-68.4-41174.600000111.7V347 T348 D349 T356V347-A352 HydrophobicContact CG1-CB 4.24Å; T348-A352 PolarHBondContact O-N 2.77Å; D349-A352 PolarHBondContact O-N 2.85Å; A352-T356 PolarHBondContact O-N 3.25Å; A352-T356 PolarHBondContact O-OG1 3.19Å
353E61.6Low56.2Low144 Ų144128.1 Ų128.167%0.67366%0.662SS**Hα-helixtrans-68.3-39.3175.9-72.4-170.616700112.3D349 T356 M357D349-E353 PolarHBondContact O-N 3.08Å; D349-E353 VanDerWaalsContact O-N 3.15Å; E353-T356 PolarHBondContact O-N 3.23Å; E353-M357 PolarHBondContact O-N 3Å
354Q59.1Low55.3Low149 Ų149127.1 Ų127.170%0.69667%0.668SS**Hα-helixtrans-64.4-40176.8-100.1171.3-900113.5E350 T356 M357E350-Q354 PolarHBondContact O-N 2.76Å; E350-Q354 VanDerWaalsContact O-N 3.14Å; Q354-T356 PolarHBondContact O-N 2.76Å; Q354-M357 PolarHBondContact O-N 2.92Å
355N57.7Low54.4Low138 Ų138131.6 Ų131.674%0.73869%0.685SS**Hα-helixtrans-70.4-20.2175.5-86.1-24.1000113.3E351E351-N355 PolarHBondContact O-N 3.5Å; E351-N355 VanDerWaalsContact O-N 3.15Å
356T54.9Low53.2Low121 Ų121132.7 Ų132.774%0.74269%0.692SS**Hα-helixtrans-81-21.4177.7-49.50000112A352 E353 Q354A352-T356 PolarHBondContact O-N 3.25Å; A352-T356 PolarHBondContact O-OG1 3.19Å; E353-T356 PolarHBondContact O-N 3.23Å; Q354-T356 PolarHBondContact O-N 2.76Å
357M51.3Low52.3Low174 Ų174131.3 Ų131.386%0.85770%0.699SS**SBendtrans-98.33.3-177.6-70.5-149.8-178.800115.6E353 Q354 H359E353-M357 PolarHBondContact O-N 3Å; Q354-M357 PolarHBondContact O-N 2.92Å; M357-H359 PolarHBondContact O-N 2.81Å; M357-H359 VanDerWaalsContact O-N 3.13Å
358A43.1Very low51.2Low69 Ų69138.1 Ų138.157%0.5773%0.732SS**SBendtrans-80.199.9-178.800000113.1
359H41.8Very low49.5Very low178 Ų178141.8 Ų141.882%0.82475%0.745SS**  trans61.3100.4153.7-67.5-74.6000119.5M357M357-H359 PolarHBondContact O-N 2.81Å; M357-H359 VanDerWaalsContact O-N 3.13Å
360R42.6Very low48.2Very low246 Ų246142 Ų14293%0.92874%0.742SS**  trans-92.6112154.8-143.4-178.8-167.1177.43.1107.9
361P41Very low46.8Very low112 Ų112143.2 Ų143.273%0.72775%0.747SS**  trans-74.4130.3168.6-9.126000108.8E363P361-E363 PolarHBondContact O-N 2.79Å
362E47.1Very low45.7Very low200 Ų200144.4 Ų144.494%0.93576%0.763SS**  trans-63.1115.7166.5-66.7-175.5155.300108.8
363E40.5Very low44.5Very low183 Ų183151.1 Ų151.186%0.85579%0.793SS**  trans-95120166.6-78.2-173.7158.600109.2P361 L365P361-E363 PolarHBondContact O-N 2.79Å; E363-L365 PolarHBondContact O-N 3.33Å
364D38Very low43.4Very low154 Ų154155.3 Ų155.382%0.82480%0.803SS**  trans-59.8116.7-179.6-1582.8000111S366D364-S366 PolarHBondContact O-N 2.85Å
365L45.4Very low42.3Very low176 Ų176152.8 Ų152.892%0.92181%0.807SS**  trans-79.891.6176.6-93.1141.4000109.7E363E363-L365 PolarHBondContact O-N 3.33Å
366S39.7Very low41.2Very low106 Ų106155.8 Ų155.874%0.74181%0.814SS**  trans-145.497.3154.459.20000113.2D364D364-S366 PolarHBondContact O-N 2.85Å
367G48.6Very low40.6Very low71 Ų71155.9 Ų155.973%0.73281%0.814SS**SBendtrans84.284.4151.200000116.9
368I37.2Very low39.9Very low175 Ų175155.3 Ų155.390%0.89781%0.809SS**  -166.2111.8120.8-87.8145000106.3
369M34.6Very low39.6Very low154 Ų154159.6 Ų159.676%0.75982%0.817SS**  trans-72.9148.5174.8-106.6172.962.600110.8
370E37.8Very low39.5Very low144 Ų144160.6 Ų160.667%0.67382%0.82SS**  trans79.996.2157.1-65.7176.7-174.500118
371H37.1Very low39.4Very low177 Ų177158 Ų15882%0.81981%0.81SS**  -174.9142.7113.3-80.8-47000110.8
372P40.8Very low39.5Very low121 Ų121162.1 Ų162.179%0.78682%0.817SS**  trans-75.5129.6-176.8-925.4000112.1R374P372-R374 PolarHBondContact O-N 2.9Å; P372-R374 VanDerWaalsContact O-N 3.1Å
373L34.6Very low39.4Very low182 Ų182163.9 Ų163.995%0.95382%0.815SS**  trans-58.8107.6171.3-70161.8000110.5
374R37.5Very low39.6Very low232 Ų232161 Ų16188%0.87581%0.812SS**  trans-84.9120.4165.5-76.1-173.7168-175-2.7109P372 F376P372-R374 PolarHBondContact O-N 2.9Å; P372-R374 VanDerWaalsContact O-N 3.1Å; R374-F376 PolarHBondContact O-N 3.46Å
375A36.1Very low40Very low95 Ų95158.9 Ų158.979%0.78581%0.807SS**  trans-61.5116.3166.300000109.3V377A375-V377 PolarHBondContact O-N 3Å
376F36.2Very low39.8Very low201 Ų201155.6 Ų155.688%0.88280%0.796SS**  trans-79.896.8170.9-122.2-91.3000108R374 Q378R374-F376 PolarHBondContact O-N 3.46Å; F376-Q378 PolarHBondContact O-N 3.23Å
377V40.9Very low40.2Very low124 Ų124157.7 Ų157.775%0.75280%0.804SS**  trans-72.3109.9166176.50000106.8A375 E379A375-V377 PolarHBondContact O-N 3Å; V377-E379 PolarHBondContact O-N 2.8Å
378Q37.1Very low40Very low162 Ų162163.9 Ų163.976%0.75781%0.807SS**  trans-76.2109.9175.9-158168.7-8.800108.9F376 F380F376-Q378 PolarHBondContact O-N 3.23Å; Q378-F380 PolarHBondContact O-N 3.04Å
379E37.8Very low40.3Very low158 Ų158161 Ų16174%0.73880%0.8SS**  trans-62.5100.5179.1-71179.9132.600111.8V377 R381V377-E379 PolarHBondContact O-N 2.8Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 3.21Å
380F38.7Very low41Very low199 Ų199163.3 Ų163.387%0.87381%0.809SS**  trans-86.977.3154.6-74.9-84.6000108.7Q378Q378-F380 PolarHBondContact O-N 3.04Å
381R39.9Very low41.6Very low191 Ų191162.4 Ų162.472%0.72181%0.814SS**  trans-113.5137.1161.9-79.8-171.7171.3119.8-1.2109.1E379E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 3.21Å
382F44.2Very low42.3Very low200 Ų200159.2 Ų159.288%0.87780%0.802SS**  trans85.263.5176.2-44.1-69.4000116.8
383R44.7Very low42.7Very low237 Ų237159.4 Ų159.489%0.89480%0.804SS**  trans-124.2131.9135.9-68.5-167.7179.7-175.31.6108.6
384P44.5Very low43.2Very low121 Ų121156.9 Ų156.979%0.78679%0.791SS**PPolyproline II helixtrans-66.1144.5172.427.3-31.4000109.6
385P46.1Very low44.1Very low111 Ų111150.8 Ų150.872%0.72178%0.781SS**PPolyproline II helixtrans-66.3153176.327.6-32.4000110.9
386P42.3Very low45Very low107 Ų107154.9 Ų154.970%0.69579%0.785SS**PPolyproline II helixtrans-63.2145.5176.825.8-32.2000111.5Y388P386-Y388 PolarHBondContact O-N 2.84Å
387V47.1Very low45.3Very low149 Ų149151.1 Ų151.190%0.90378%0.78SS**  trans-71112.3-178.2-175.90000109.4
388Y44.4Very low45.7Very low202 Ų202153.5 Ų153.579%0.79279%0.788SS**  trans-114.4129.4168.4-95.2-84000111.2P386P386-Y388 PolarHBondContact O-N 2.84Å
389C43.8Very low45.9Very low113 Ų113153.3 Ų153.376%0.76479%0.792SS**  trans17.4122.2160.1-62.30000120.6V391C389-V391 VanDerWaalsContact C-N 3.34Å; C389-V391 PolarHBondContact O-N 3.1Å; C389-V391 VanDerWaalsContact O-N 3.09Å
390E48.5Very low45.7Very low203 Ų203154.9 Ų154.995%0.94980%0.801SS**SBendtrans-78.660.5171.9-62-175155.700113.6
391V52.2Low45.8Very low126 Ų126156.7 Ų156.776%0.76480%0.803SS**  trans-137.1111.9166.1-171.60000110C389 P393C389-V391 VanDerWaalsContact C-N 3.34Å; C389-V391 PolarHBondContact O-N 3.1Å; C389-V391 VanDerWaalsContact O-N 3.09Å; V391-P393 WeakPolarHBondContact O-CD 3.44Å
392D51.8Low46.1Very low109 Ų109158.7 Ų158.758%0.58381%0.81SS**  trans-69.4120173.8-177.2-6.5000109.5N394D392-N394 PolarHBondContact O-N 3.22Å; D392-N394 VanDerWaalsContact O-N 3.13Å; D392-N394 PolarHBondContact OD1-N 2.97Å
393P47.8Very low45.7Very low125 Ų125161.1 Ų161.181%0.81281%0.814SS**SBendtrans-70.80.7178.728.8-33.2000113.5V391V391-P393 WeakPolarHBondContact O-CD 3.44Å
394N44.6Very low45.5Very low129 Ų129155.1 Ų155.169%0.6981%0.807SS**SBendtrans-143.872.3179.8-141.84.1000113.9D392 Q396D392-N394 PolarHBondContact O-N 3.22Å; D392-N394 VanDerWaalsContact O-N 3.13Å; D392-N394 PolarHBondContact OD1-N 2.97Å; N394-Q396 PolarHBondContact O-N 3.27Å
395P57.3Low45.1Very low104 Ų104158.1 Ų158.168%0.67581%0.812SS**PPolyproline II helixtrans-68.5125.8178.527.5-32.7000111.3
396Q54.1Low44.9Very low182 Ų182158.6 Ų158.685%0.8581%0.813SS**PPolyproline II helixtrans-69.3142.6177.5-67.4-152.5-3.400112.4N394 L398N394-Q396 PolarHBondContact O-N 3.27Å; Q396-L398 PolarHBondContact O-N 3.01Å
397P44.1Very low44.8Very low121 Ų121163.5 Ų163.579%0.78685%0.848SS**PPolyproline II helixtrans-70.5122.8-178.626.1-31.5000111.9N399P397-N399 PolarHBondContact O-N 2.94Å; P397-N399 VanDerWaalsContact O-N 3.15Å
398L48.2Very low44.7Very low174 Ų174164.2 Ų164.291%0.91185%0.845SS**  trans-62.2107.3175.1-87.8153.7000111.3Q396Q396-L398 PolarHBondContact O-N 3.01Å
399N42.3Very low44.7Very low159 Ų159162.2 Ų162.285%0.8585%0.848SS**  trans-142.4137.4157.5-97.9-34.6000112.2P397P397-N399 PolarHBondContact O-N 2.94Å; P397-N399 VanDerWaalsContact O-N 3.15Å
400M34.1Very low44.7Very low190 Ų190164.9 Ų164.994%0.93685%0.852SS**  trans87.795.3168.8-81.7-179.5149.200121.3
401R39.8Very low44.5Very low238 Ų238162.7 Ų162.790%0.89885%0.847SS**  trans7.9127.7143.6-86.5178.8173173.4-1.9121.6
402R45.7Very low44Very low232 Ų232165 Ų16588%0.87585%0.852SS**  38.5121.6128.9-67.3-170.8179.3-169.8-0.2119.4
403R36.9Very low43.5Very low252 Ų252168.7 Ų168.795%0.95187%0.87SS**  -132.9126.4128.4-77.8-169.2178.5-177.6-0.3111.4
404C41Very low43.2Very low111 Ų111171.9 Ų171.975%0.7587%0.874SS**  trans-75.1138.1163.9-174.80000107.9
405M36.1Very low43.1Very low184 Ų184175.2 Ų175.291%0.90689%0.888SS**  trans-150.5115.9145.2-84.3-143.2-78.400109.8
406T41Very low41.9Very low121 Ų121181.1 Ų181.174%0.74291%0.906SS**  trans-52.4136.6149.543.20000111.3
407C39.9Very low40.8Very low209 Ų209181 Ų181100%1.41291%0.911SS**  -157.50128.3-85.40000106.9

Retrieved 407 of 407 residues in 1397 ms (Link to these results)

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