A0A3Q0KG47_SCHMA Loading...

Glycerophosphocholine phosphodiesterase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KG47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 538 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
1M42.7Very low77.6Confident243 Ų24358.7 Ų58.7100%1.19731%0.305SS*.  0102.10-84.5174.5169.400108M3M1-M3 PolarHBondContact O-N 3.4Å
2T52.5Low79.2Confident124 Ų12453.8 Ų53.876%0.76128%0.279SS*.PPolyproline II helixtrans-54.9124.1157.512.50000106.6K4T2-K4 PolarHBondContact O-N 3.36Å
3M57.5Low80.4Confident163 Ų16349.7 Ų49.780%0.80326%0.258SS*.PPolyproline II helixtrans-56.7119.4171-75.4-172.1-15200106.7M1M1-M3 PolarHBondContact O-N 3.4Å
4K71.7Confident81.1Confident79 Ų7946.1 Ų46.134%0.34324%0.239SC..PPolyproline II helixtrans-61.9147.2168.9-68.2-166.2171.6-169.40107.5T2 M86 Y115 D380T2-K4 PolarHBondContact O-N 3.36Å; K4-M86 WeakPolarHBondContact O-CG 3.44Å; K4-Y115 HydrophobicContact CD-CD2 3.53Å; K4-Y115 HydrophobicContact CD-CE2 3.5Å; K4-Y115 VanDerWaalsContact CD-CE2 3.5Å; K4-Y115 HydrophobicContact CD-CG 4.14Å; K4-Y115 PolarHBondContact NZ-OH 2.99Å; K4-D380 IonicContact NZ-OD2 2.77Å; K4-D380 PolarHBondContact NZ-OD2 2.81Å
5S80.4Confident81.8Confident25 Ų2544.1 Ų44.118%0.17523%0.229CC..  trans-105.4157.3162.745.10000107.6S84 D145S5-S84 VanDerWaalsContact CB-O 3.23Å; S5-S84 WeakPolarHBondContact CB-O 3.49Å; S5-D145 PolarHBondContact O-N 2.99Å
6Y80.5Confident82.4Confident1 Ų141.4 Ų41.40%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-86.7140.516579.8-90.5000109.7S84 P113 F142 I143Y6-S84 VanDerWaalsContact CZ-OG 3.26Å; Y6-S84 WeakPolarHBondContact OH-CB 3.39Å; Y6-S84 PolarHBondContact OH-OG 2.91Å; Y6-P113 HydrophobicContact CD1-CB 3.69Å; Y6-P113 HydrophobicContact CD1-CG 3.65Å; Y6-P113 HydrophobicContact CE1-CB 4.3Å; Y6-P113 HydrophobicContact CE1-CG 3.91Å; Y6-P113 HydrophobicContact CG-CB 4.2Å; Y6-F142 HydrophobicContact CD2-CD1 4.09Å; Y6-F142 HydrophobicContact CD2-CE1 4.43Å; Y6-F142 HydrophobicContact CE2-CE1 4.46Å; Y6-F142 HydrophobicContact CG-CD1 4.14Å; Y6-I143 CarbonylContact C-O 3.27Å
7V86.3Confident83.1Confident10 Ų1044.9 Ų44.96%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-95.8-30.9177.6-68.60000111.9S80 N81 R82 I143 D145V7-S80 CarbonylContact O-C 3.56Å; V7-S80 WeakPolarHBondContact O-CA 3.48Å; V7-N81 CarbonylContact O-C 3.46Å; V7-N81 PolarHBondContact O-N 2.98Å; V7-R82 HydrophobicContact CG1-CG 4.49Å; V7-I143 HydrophobicContact CG2-CB 4.17Å; V7-I143 HydrophobicContact CG2-CG2 3.78Å; V7-I143 VanDerWaalsContact CG2-O 3.27Å; V7-I143 WeakPolarHBondContact CG2-O 3.27Å; V7-I143 PolarHBondContact N-O 3.05Å; V7-D145 HydrophobicContact CG1-CB 3.64Å
8A93.5Very high83.5Confident1 Ų147.7 Ų47.71%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-156.4166.5177.900000112.4L78 V79 I143 L410A8-L78 HydrophobicContact CB-CD1 3.87Å; A8-V79 CarbonylContact C-O 3.49Å; A8-V79 WeakPolarHBondContact CA-O 3.11Å; A8-I143 PolarHBondContact N-O 3.23Å; A8-I143 PolarHBondContact O-N 2.75Å; A8-L410 HydrophobicContact CB-CD1 3.92Å
9V94.8Very high83.9Confident0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-137.9127.8164.855.20000108.6I11 V79 L90 L111 L141 F142V9-I11 HydrophobicContact CG2-CG1 4.25Å; V9-V79 HydrophobicContact CG1-CB 3.87Å; V9-V79 HydrophobicContact CG1-CG2 4.33Å; V9-V79 PolarHBondContact N-O 2.87Å; V9-V79 PolarHBondContact O-N 2.88Å; V9-L90 HydrophobicContact CG1-CD2 3.86Å; V9-L111 HydrophobicContact CG2-CD1 4.46Å; V9-L141 WeakPolarHBondContact CA-O 3.47Å; V9-F142 HydrophobicContact CB-CD1 3.64Å; V9-F142 HydrophobicContact CB-CE1 3.75Å; V9-F142 HydrophobicContact CB-CG 4.28Å; V9-F142 HydrophobicContact CB-CZ 4.48Å; V9-F142 HydrophobicContact CG1-CD1 4.49Å; V9-F142 HydrophobicContact CG1-CE1 4.19Å; V9-F142 HydrophobicContact CG2-CD1 3.85Å; V9-F142 HydrophobicContact CG2-CD2 4.31Å; V9-F142 HydrophobicContact CG2-CE1 3.84Å; V9-F142 HydrophobicContact CG2-CE2 4.31Å; V9-F142 HydrophobicContact CG2-CG 4.09Å; V9-F142 HydrophobicContact CG2-CZ 4.08Å
10V96.7Very high84.4Confident0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-99.8136.7171.962.90000108.8Y12 F45 L78 Y140 L141 L406V10-Y12 HydrophobicContact CB-CE2 4.23Å; V10-Y12 HydrophobicContact CG1-CD2 4.36Å; V10-Y12 HydrophobicContact CG1-CE2 3.62Å; V10-Y12 HydrophobicContact CG2-CD2 4.08Å; V10-Y12 HydrophobicContact CG2-CE1 4.15Å; V10-Y12 HydrophobicContact CG2-CE2 3.56Å; V10-F45 HydrophobicContact CG2-CE1 3.9Å; V10-F45 HydrophobicContact CG2-CZ 3.7Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-Y140 CarbonylContact O-C 3.5Å; V10-Y140 VanDerWaalsContact O-CA 3.23Å; V10-Y140 WeakPolarHBondContact O-CA 3.37Å; V10-L141 HydrophobicContact CG1-CB 3.78Å; V10-L141 HydrophobicContact CG1-CD2 4.42Å; V10-L141 HydrophobicContact CG1-CG 4.38Å; V10-L141 PolarHBondContact N-O 3.01Å; V10-L141 PolarHBondContact O-N 3.15Å; V10-L406 HydrophobicContact CB-CD2 4.04Å; V10-L406 HydrophobicContact CG1-CD2 3.85Å; V10-L406 HydrophobicContact CG2-CD2 4.18Å
11I97.1Very high84.9Confident0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.8112.9176.1-63.1159.9000107.7V9 G76 F77 L90 V92 F109 L111 L138 Y139V9-I11 HydrophobicContact CG2-CG1 4.25Å; I11-G76 CarbonylContact O-C 3.56Å; I11-G76 WeakPolarHBondContact O-CA 3.41Å; I11-F77 HydrophobicContact CB-CD1 4.42Å; I11-F77 HydrophobicContact CB-CD2 4.44Å; I11-F77 HydrophobicContact CB-CE1 3.96Å; I11-F77 HydrophobicContact CB-CE2 4.01Å; I11-F77 HydrophobicContact CB-CZ 3.73Å; I11-F77 HydrophobicContact CD1-CD2 4.32Å; I11-F77 HydrophobicContact CD1-CE2 3.38Å; I11-F77 HydrophobicContact CD1-CZ 3.51Å; I11-F77 HydrophobicContact CG1-CE2 4.21Å; I11-F77 HydrophobicContact CG1-CZ 4.2Å; I11-F77 HydrophobicContact CG2-CE1 3.86Å; I11-F77 HydrophobicContact CG2-CZ 3.8Å; I11-F77 PolarHBondContact N-O 3.31Å; I11-F77 PolarHBondContact O-N 2.94Å; I11-L90 HydrophobicContact CD1-CD2 3.93Å; I11-V92 HydrophobicContact CD1-CG2 4.4Å; I11-F109 HydrophobicContact CD1-CE2 4.08Å; I11-F109 HydrophobicContact CD1-CZ 4.12Å; I11-F109 HydrophobicContact CG2-CZ 4.4Å; I11-L111 HydrophobicContact CD1-CD1 3.98Å; I11-L111 HydrophobicContact CG1-CD1 4.24Å; I11-L138 HydrophobicContact CG2-CB 4.23Å; I11-L138 HydrophobicContact CG2-CD1 4.33Å; I11-Y139 CarbonylContact C-O 3.56Å; I11-Y139 WeakPolarHBondContact CA-O 3.1Å
12Y97.1Very high87.3Confident0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-91.4133.2176.4-62.2-85.4000110.7V10 V14 F45 S75 L138 Y139 R436 W446V10-Y12 HydrophobicContact CB-CE2 4.23Å; V10-Y12 HydrophobicContact CG1-CD2 4.36Å; V10-Y12 HydrophobicContact CG1-CE2 3.62Å; V10-Y12 HydrophobicContact CG2-CD2 4.08Å; V10-Y12 HydrophobicContact CG2-CE1 4.15Å; V10-Y12 HydrophobicContact CG2-CE2 3.56Å; Y12-V14 PolarHBondContact O-N 2.81Å; Y12-F45 AromaticContact CD1-CE2 3.84Å; Y12-F45 HydrophobicContact CD1-CE2 3.84Å; Y12-F45 AromaticContact CD1-CZ 3.82Å; Y12-F45 HydrophobicContact CD1-CZ 3.82Å; Y12-F45 AromaticContact CE1-CE2 3.62Å; Y12-F45 HydrophobicContact CE1-CE2 3.62Å; Y12-F45 AromaticContact CE1-CZ 3.59Å; Y12-F45 HydrophobicContact CE1-CZ 3.59Å; Y12-S75 CarbonylContact C-O 3.57Å; Y12-S75 WeakPolarHBondContact CA-O 3.46Å; Y12-L138 VanDerWaalsContact O-CA 3.29Å; Y12-L138 WeakPolarHBondContact O-CA 3.42Å; Y12-Y139 AromaticContact CD2-CD1 3.51Å; Y12-Y139 HydrophobicContact CD2-CD1 3.51Å; Y12-Y139 AromaticContact CD2-CE1 3.79Å; Y12-Y139 HydrophobicContact CD2-CE1 3.79Å; Y12-Y139 HydrophobicContact CD2-CG 4.43Å; Y12-Y139 HydrophobicContact CE2-CD1 4.18Å; Y12-Y139 AromaticContact CE2-CE1 3.98Å; Y12-Y139 HydrophobicContact CE2-CE1 3.98Å; Y12-Y139 HydrophobicContact CG-CD1 4.26Å; Y12-Y139 PolarHBondContact N-O 2.75Å; Y12-Y139 PolarHBondContact O-N 3.02Å; Y12-R436 PolarHBondContact OH-NH1 2.8Å; Y12-W446 AromaticContact CE1-CH2 3.71Å; Y12-W446 HydrophobicContact CE1-CH2 3.71Å; Y12-W446 HydrophobicContact CE1-CZ3 4.13Å; Y12-W446 AromaticContact CZ-CH2 3.86Å; Y12-W446 WeakPolarHBondContact OH-CH2 3.35Å; Y12-W446 WeakPolarHBondContact OH-CZ2 3.29Å
13S94.9Very high89.4Confident0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-75.9108.1162.2-179.10000108.2P68 V69 S75 Y348S13-P68 PolarHBondContact OG-O 2.94Å; S13-V69 WeakPolarHBondContact OG-CA 3.25Å; S13-V69 WeakPolarHBondContact OG-CG2 3.39Å; S13-S75 WeakPolarHBondContact CB-O 3.39Å; S13-S75 PolarHBondContact N-O 3.01Å; S13-Y348 WeakPolarHBondContact O-CE2 3.4Å
14V89.2Confident91.2Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-87.4-63.2-176.1-173.10000110.4Y12 Y137 Y348 V351Y12-V14 PolarHBondContact O-N 2.81Å; V14-Y137 WeakPolarHBondContact CB-O 3.45Å; V14-Y137 PolarHBondContact N-O 2.82Å; V14-Y348 HydrophobicContact CB-CD2 4.21Å; V14-Y348 HydrophobicContact CB-CE2 4.49Å; V14-Y348 HydrophobicContact CG1-CD2 4.01Å; V14-Y348 HydrophobicContact CG1-CE2 4.34Å; V14-Y348 HydrophobicContact CG1-CG 4.16Å; V14-Y348 WeakPolarHBondContact CG1-O 3.41Å; V14-Y348 HydrophobicContact CG2-CD2 3.99Å; V14-V351 HydrophobicContact CB-CG1 4.34Å; V14-V351 HydrophobicContact CG1-CB 3.74Å; V14-V351 HydrophobicContact CG1-CG1 3.62Å
15N91.8Very high92.4Very high16 Ų1625.3 Ų25.39%0.08613%0.129CC..EExtended strand (participates in β ladder)trans-166.9174.3177.8-152.2-6.2000111.6Y137 L355N15-Y137 PolarHBondContact O-N 2.97Å; N15-L355 HydrophobicContact CB-CD1 3.64Å
16S92.3Very high93Very high1 Ų124.1 Ų24.11%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-110.8136.3165.9-155.90000110.1N18 S19 F21 D134 E135 I136S16-N18 PolarHBondContact O-N 2.7Å; S16-S19 PolarHBondContact O-N 3.49Å; S16-F21 WeakPolarHBondContact CB-O 3.26Å; S16-D134 PolarHBondContact OG-OD1 3.11Å; S16-D134 PolarHBondContact OG-OD2 3.48Å; S16-E135 CarbonylContact C-O 3.56Å; S16-E135 WeakPolarHBondContact CA-O 3.42Å; S16-E135 PolarHBondContact OG-O 2.92Å; S16-I136 VanDerWaalsContact OG-CD1 3.24Å; S16-I136 WeakPolarHBondContact OG-CD1 3.27Å
17K93.1Very high93.6Very high101 Ų10130.6 Ų30.644%0.43915%0.145SC..THydrogen-bonded Turntrans-55.8-47.9-175.6-174.1-177.3-157.41480113D134 E135 Y137K17-D134 WeakPolarHBondContact CB-OD1 3.44Å; K17-D134 PolarHBondContact N-OD1 3.15Å; K17-E135 HydrophobicContact CB-CB 3.94Å; K17-E135 HydrophobicContact CD-CB 4.04Å; K17-E135 PolarHBondContact N-O 3.44Å; K17-E135 IonicContact NZ-OE1 2.72Å; K17-E135 PolarHBondContact NZ-OE1 2.76Å; K17-Y137 HydrophobicContact CB-CE2 3.73Å; K17-Y137 HydrophobicContact CG-CE2 4.43Å
18N91.1Very high93.8Very high95 Ų9531.3 Ų31.351%0.50815%0.15SC..THydrogen-bonded Turntrans-103.25.7-177.8-59.6-34.5000112.2S16 V20 L133 D134S16-N18 PolarHBondContact O-N 2.7Å; N18-V20 HydrophobicContact CB-CG2 3.92Å; N18-V20 PolarHBondContact O-N 2.97Å; N18-V20 VanDerWaalsContact O-N 3.16Å; N18-L133 PolarHBondContact ND2-O 2.95Å; N18-D134 WeakPolarHBondContact CB-OD1 3.44Å; N18-D134 PolarHBondContact N-OD1 3.37Å
19S91.1Very high93.7Very high61 Ų6131.5 Ų31.543%0.42715%0.151SC..SBendtrans55.626.4-178.1-59.40000114.5S16 Q22S16-S19 PolarHBondContact O-N 3.49Å; S19-Q22 WeakPolarHBondContact O-CG 3.27Å
20V92.8Very high93.4Very high27 Ų2735.1 Ų35.116%0.16417%0.167CC..  trans-72.9-56.3179-179.80000109.3N18 T98 I132 D134N18-V20 HydrophobicContact CB-CG2 3.92Å; N18-V20 PolarHBondContact O-N 2.97Å; N18-V20 VanDerWaalsContact O-N 3.16Å; V20-T98 HydrophobicContact CG1-CG2 4.04Å; V20-T98 WeakPolarHBondContact O-CG2 3.26Å; V20-I132 HydrophobicContact CG1-CG2 4Å; V20-I132 HydrophobicContact CG2-CG2 3.75Å; V20-D134 WeakPolarHBondContact CA-OD2 3.41Å; V20-D134 HydrophobicContact CB-CB 4.12Å; V20-D134 WeakPolarHBondContact CB-OD2 3.25Å; V20-D134 HydrophobicContact CG2-CB 4.12Å; V20-D134 WeakPolarHBondContact CG2-OD2 3.44Å; V20-D134 PolarHBondContact N-OD2 3.22Å
21F94.9Very high92.9Very high0 Ų035.8 Ų35.80%017%0.17CC..  trans-91.1118177.9-56.5-74.7000110S16 L96 E103 S105 V126 D134 I136S16-F21 WeakPolarHBondContact CB-O 3.26Å; F21-L96 HydrophobicContact CB-CB 3.98Å; F21-L96 HydrophobicContact CD1-CB 3.63Å; F21-L96 HydrophobicContact CD2-CB 4.45Å; F21-L96 HydrophobicContact CD2-CD1 4.36Å; F21-L96 HydrophobicContact CE1-CB 4.21Å; F21-L96 HydrophobicContact CG-CB 3.75Å; F21-L96 HydrophobicContact CG-CD1 4.41Å; F21-E103 HydrophobicContact CE1-CB 4.49Å; F21-S105 VanDerWaalsContact CZ-CB 3.49Å; F21-V126 HydrophobicContact CD2-CG2 3.73Å; F21-V126 HydrophobicContact CE2-CB 4.24Å; F21-V126 HydrophobicContact CE2-CG2 3.58Å; F21-D134 HydrophobicContact CD2-CB 4.08Å; F21-D134 HydrophobicContact CE2-CB 4.14Å; F21-I136 HydrophobicContact CB-CD1 3.98Å; F21-I136 HydrophobicContact CD2-CD1 4.39Å
22Q94.8Very high92.3Very high80 Ų8039 Ų3937%0.37419%0.188SC..  trans-116.10.2-171.7-71.3177.3-42.900112.5S19 V69 E97 V99S19-Q22 WeakPolarHBondContact O-CG 3.27Å; Q22-V69 PolarHBondContact O-N 3.44Å; Q22-E97 PolarHBondContact N-O 3.48Å; Q22-V99 HydrophobicContact CB-CG2 3.8Å; Q22-V99 HydrophobicContact CG-CG2 4.42Å
23K95.6Very high91.5Very high47 Ų4745.4 Ų45.420%0.20423%0.227CC..EExtended strand (participates in β ladder)trans-146.9146171.150.3174.2163.7169.60110.1W66 I67 E97 T98K23-W66 HydrophobicContact CB-CB 4.23Å; K23-W66 HydrophobicContact CB-CD2 4.43Å; K23-W66 HydrophobicContact CB-CE3 3.84Å; K23-W66 HydrophobicContact CD-CB 4.25Å; K23-W66 HydrophobicContact CD-CD2 3.82Å; K23-W66 HydrophobicContact CD-CE3 3.83Å; K23-W66 HydrophobicContact CD-CG 4.01Å; K23-W66 HydrophobicContact CD-CZ3 4.47Å; K23-W66 HydrophobicContact CG-CD2 4.27Å; K23-W66 HydrophobicContact CG-CE3 3.76Å; K23-W66 HydrophobicContact CG-CZ3 4.24Å; K23-I67 CarbonylContact C-O 3.14Å; K23-I67 VanDerWaalsContact CA-O 3.29Å; K23-I67 WeakPolarHBondContact CA-O 3.45Å; K23-E97 HydrophobicContact CD-CB 4.29Å; K23-E97 WeakPolarHBondContact CE-OE2 3.4Å; K23-E97 HydrophobicContact CG-CB 4.05Å; K23-E97 VanDerWaalsContact CG-O 3.28Å; K23-E97 WeakPolarHBondContact CG-O 3.42Å; K23-E97 PolarHBondContact N-O 2.93Å; K23-E97 IonicContact NZ-OE2 2.63Å; K23-E97 PolarHBondContact NZ-OE2 3.03Å; K23-E97 PolarHBondContact O-N 2.89Å; K23-T98 WeakPolarHBondContact CE-O 3.33Å
24M96.4Very high90.8Very high0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-130.1153.6175.871.1178.6-16200110.6W66 I67 V69 F77 L94 E95 L96 L138M24-W66 VanDerWaalsContact C-CE3 3.47Å; M24-W66 CarbonylContact O-C 3.6Å; M24-W66 WeakPolarHBondContact O-CA 3.35Å; M24-I67 HydrophobicContact CE-CB 4.21Å; M24-I67 HydrophobicContact CE-CD1 3.84Å; M24-I67 HydrophobicContact CE-CG2 4.03Å; M24-I67 HydrophobicContact CG-CB 4Å; M24-I67 PolarHBondContact N-O 2.92Å; M24-I67 PolarHBondContact O-N 3.26Å; M24-V69 HydrophobicContact CB-CG2 3.91Å; M24-V69 HydrophobicContact CG-CG2 3.95Å; M24-V69 HydrophobicContact SD-CG2 4.31Å; M24-F77 HydrophobicContact CE-CD1 4.12Å; M24-F77 HydrophobicContact CE-CE1 4.02Å; M24-L94 HydrophobicContact SD-CD1 4Å; M24-E95 CarbonylContact C-O 3.57Å; M24-E95 WeakPolarHBondContact CA-O 3.26Å; M24-L96 HydrophobicContact CB-CD2 3.62Å; M24-L138 HydrophobicContact SD-CD2 4.02Å
25R95Very high90.3Very high66 Ų6660.4 Ų60.425%0.24929%0.294CS..EExtended strand (participates in β ladder)trans-136.3149.1167.763.8172.5-176-177.1-5.9110.6R27 R65 W66 L94 E95R25-R27 PolarHBondContact O-N 2.98Å; R25-R65 WeakPolarHBondContact CB-O 3.35Å; R25-W66 HydrophobicContact CB-CD2 4.16Å; R25-W66 HydrophobicContact CB-CE3 3.98Å; R25-W66 HydrophobicContact CB-CZ3 4.27Å; R25-W66 HydrophobicContact CG-CD2 4.25Å; R25-W66 HydrophobicContact CG-CE3 4.02Å; R25-W66 HydrophobicContact CG-CH2 3.87Å; R25-W66 HydrophobicContact CG-CZ2 4.09Å; R25-W66 HydrophobicContact CG-CZ3 3.84Å; R25-L94 WeakPolarHBondContact O-CA 3.34Å; R25-E95 HydrophobicContact CG-CB 3.72Å; R25-E95 IonicContact CZ-OE1 3.15Å; R25-E95 IonicContact CZ-OE2 2.65Å; R25-E95 PolarHBondContact N-O 2.83Å; R25-E95 IonicContact NE-OE1 3.86Å; R25-E95 IonicContact NE-OE2 3.84Å; R25-E95 PolarHBondContact NE-OE2 3.2Å; R25-E95 VanDerWaalsContact NH2-CD 3.26Å; R25-E95 IonicContact NH2-OE1 3.82Å; R25-E95 PolarHBondContact NH2-OE1 2.73Å; R25-E95 VanDerWaalsContact NH2-OE1 3.15Å; R25-E95 IonicContact NH2-OE2 2.78Å; R25-E95 PolarHBondContact NH2-OE2 3.07Å; R25-E95 PolarHBondContact O-N 2.64Å
26V94.2Very high89.4Confident0 Ų060.1 Ų60.10%029%0.293CS..EExtended strand (participates in β ladder)trans-77.1111.8175.5-177.60000108.7L29 L44 Y62 T63 F77 L94V26-L29 HydrophobicContact CG1-CB 4.26Å; V26-L44 HydrophobicContact CG2-CD2 4.41Å; V26-Y62 HydrophobicContact CB-CD2 3.95Å; V26-Y62 HydrophobicContact CB-CE2 4.41Å; V26-Y62 HydrophobicContact CG1-CD2 3.85Å; V26-Y62 HydrophobicContact CG1-CE2 3.86Å; V26-T63 WeakPolarHBondContact O-CA 3.12Å; V26-F77 HydrophobicContact CG2-CD1 3.78Å; V26-F77 HydrophobicContact CG2-CD2 4.28Å; V26-F77 HydrophobicContact CG2-CE1 3.9Å; V26-F77 HydrophobicContact CG2-CE2 4.35Å; V26-F77 HydrophobicContact CG2-CG 4Å; V26-F77 HydrophobicContact CG2-CZ 4.19Å; V26-L94 HydrophobicContact CB-CD2 4.37Å; V26-L94 HydrophobicContact CG2-CD2 3.91Å
27R92.8Very high88.3Confident138 Ų13865.8 Ų65.852%0.52132%0.323SS..EExtended strand (participates in β ladder)trans-79.6-39175.9-64.8-169.376.4-176.1-1.1112.1R25 D93 E95 C106R25-R27 PolarHBondContact O-N 2.98Å; R27-D93 HydrophobicContact CB-CB 4.25Å; R27-D93 PolarHBondContact N-O 3.2Å; R27-E95 HydrophobicContact CG-CB 3.65Å; R27-E95 IonicContact NE-OE2 2.67Å; R27-C106 PolarHBondContact NH1-SG 3.16Å
28S91Very high86.9Confident24 Ų2461.2 Ų61.217%0.16830%0.304CS..EExtended strand (participates in β ladder)trans-157.5139.3-170.8133.60000109.5D93S28-D93 VanDerWaalsContact CB-OD2 3.27Å; S28-D93 WeakPolarHBondContact CB-OD2 3.42Å; S28-D93 PolarHBondContact N-O 3.4Å; S28-D93 PolarHBondContact O-N 3.34Å; S28-D93 PolarHBondContact OG-OD2 3.23Å
29L90.2Very high85.4Confident5 Ų563 Ų633%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-139125.1177.1-164.7149.3000109V26 V36 I42 F77 V79 L90 S91 V92V26-L29 HydrophobicContact CG1-CB 4.26Å; L29-V36 HydrophobicContact CD2-CB 3.51Å; L29-V36 HydrophobicContact CD2-CG1 4.08Å; L29-V36 HydrophobicContact CD2-CG2 3.16Å; L29-V36 PolarHBondContact O-N 3.26Å; L29-I42 HydrophobicContact CD1-CD1 4.22Å; L29-F77 HydrophobicContact CD1-CD2 4.45Å; L29-F77 HydrophobicContact CD1-CE2 4.13Å; L29-V79 HydrophobicContact CD1-CG1 4.45Å; L29-V79 HydrophobicContact CD1-CG2 3.47Å; L29-V79 VanDerWaalsContact CD1-CG2 3.47Å; L29-V79 HydrophobicContact CD2-CG1 4.1Å; L29-L90 HydrophobicContact CD1-CD1 4.22Å; L29-L90 HydrophobicContact CD2-CD1 3.5Å; L29-L90 VanDerWaalsContact CD2-CD1 3.5Å; L29-L90 HydrophobicContact CG-CD1 3.84Å; L29-S91 WeakPolarHBondContact CA-O 3.49Å; L29-V92 HydrophobicContact CD1-CG2 4.3Å; L29-V92 HydrophobicContact CG-CG2 4.38Å
30K88.8Confident84.2Confident76 Ų7666.6 Ų66.633%0.3332%0.322SS..EExtended strand (participates in β ladder)trans-128.9141.3-179.2-59.4173.9-170.4164.60110E34 K35 L90 S91K30-E34 CarbonylContact C-O 3.52Å; K30-E34 WeakPolarHBondContact CA-O 3.24Å; K30-K35 HydrophobicContact CG-CG 4.21Å; K30-L90 CarbonylContact O-C 3.59Å; K30-L90 WeakPolarHBondContact O-CA 3.43Å; K30-S91 PolarHBondContact N-O 3.29Å; K30-S91 PolarHBondContact O-N 2.93Å
31I86Confident83.7Confident14 Ų1468.8 Ų68.87%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-109115.6165.8-66.3170.6000105.3T33 E34 V36 N81 I89 L90I31-T33 PolarHBondContact O-N 2.98Å; I31-E34 PolarHBondContact N-O 2.74Å; I31-E34 PolarHBondContact O-N 3.32Å; I31-V36 HydrophobicContact CB-CG2 4.14Å; I31-V36 HydrophobicContact CD1-CG2 3.48Å; I31-V36 VanDerWaalsContact CD1-CG2 3.48Å; I31-V36 HydrophobicContact CG1-CG2 3.46Å; I31-V36 VanDerWaalsContact CG1-CG2 3.46Å; I31-N81 HydrophobicContact CD1-CB 4.07Å; I31-N81 VanDerWaalsContact CD1-ND2 3.28Å; I31-N81 WeakPolarHBondContact CD1-ND2 3.12Å; I31-I89 WeakPolarHBondContact CA-O 3.2Å; I31-L90 HydrophobicContact CG1-CD1 4.07Å
32D85.2Confident83.5Confident68 Ų6869 Ų6936%0.36433%0.331SS..THydrogen-bonded Turntrans54.9-119-167.3-57.6-49.1000110.8S88 I89D32-S88 VanDerWaalsContact OD1-CA 3.26Å; D32-S88 WeakPolarHBondContact OD1-CA 3Å; D32-S88 WeakPolarHBondContact OD2-CA 3.47Å; D32-S88 VanDerWaalsContact OD2-CB 3.29Å; D32-S88 WeakPolarHBondContact OD2-CB 3.47Å; D32-S88 PolarHBondContact OD2-OG 3.2Å; D32-I89 PolarHBondContact N-O 3.16Å; D32-I89 PolarHBondContact OD1-N 2.96Å
33T80.5Confident83.4Confident134 Ų13466 Ų6682%0.82232%0.317SS*.THydrogen-bonded Turntrans-93.3-10.9176.552.90000113.1I31I31-T33 PolarHBondContact O-N 2.98Å
34E80.3Confident83.4Confident148 Ų14863.8 Ų63.869%0.69231%0.307SS*.EExtended strand (participates in β ladder)trans-89.1128.7-174.2-63-169.516800110.8K30 I31 V36K30-E34 CarbonylContact C-O 3.52Å; K30-E34 WeakPolarHBondContact CA-O 3.24Å; I31-E34 PolarHBondContact N-O 2.74Å; I31-E34 PolarHBondContact O-N 3.32Å; E34-V36 PolarHBondContact O-N 3.18Å
35K78.5Confident83.5Confident168 Ų16863.8 Ų63.873%0.7331%0.307SS*.EExtended strand (participates in β ladder)trans-64.3134.6167.4-72.7-173.1179.1-1770108.4K30 D37K30-K35 HydrophobicContact CG-CG 4.21Å; K35-D37 PolarHBondContact O-N 3.04Å; K35-D37 VanDerWaalsContact O-N 3.11Å
36V73.9Confident83.6Confident10 Ų1060.8 Ų60.86%0.06130%0.296CS..  trans-71.2111.6175174.20000108.6L29 I31 E34 A38 K41L29-V36 HydrophobicContact CD2-CB 3.51Å; L29-V36 HydrophobicContact CD2-CG1 4.08Å; L29-V36 HydrophobicContact CD2-CG2 3.16Å; L29-V36 PolarHBondContact O-N 3.26Å; I31-V36 HydrophobicContact CB-CG2 4.14Å; I31-V36 HydrophobicContact CD1-CG2 3.48Å; I31-V36 VanDerWaalsContact CD1-CG2 3.48Å; I31-V36 HydrophobicContact CG1-CG2 3.46Å; I31-V36 VanDerWaalsContact CG1-CG2 3.46Å; E34-V36 PolarHBondContact O-N 3.18Å; V36-A38 PolarHBondContact O-N 3.37Å; V36-A38 VanDerWaalsContact O-N 3.14Å; V36-K41 HydrophobicContact CG1-CB 3.68Å; V36-K41 HydrophobicContact CG1-CD 3.77Å; V36-K41 HydrophobicContact CG1-CG 4.37Å
37D67.3Low83.7Confident120 Ų12060.8 Ų60.864%0.64230%0.296SS*.  trans-64112.5166.8-172.3-4.4000108.3K35 F39 K41K35-D37 PolarHBondContact O-N 3.04Å; K35-D37 VanDerWaalsContact O-N 3.11Å; D37-F39 VanDerWaalsContact C-N 3.35Å; D37-F39 PolarHBondContact O-N 3.35Å; D37-K41 WeakPolarHBondContact O-CD 3.28Å
38A65.2Low83.9Confident4 Ų454.6 Ų54.63%0.03327%0.274CS..  trans-84.3-9.4-160.700000114.1V36 N40 K41 I42 G59 Y62V36-A38 PolarHBondContact O-N 3.37Å; V36-A38 VanDerWaalsContact O-N 3.14Å; A38-N40 PolarHBondContact O-N 2.99Å; A38-K41 PolarHBondContact O-N 3.08Å; A38-I42 HydrophobicContact CB-CG2 3.64Å; A38-G59 CarbonylContact O-C 3.5Å; A38-G59 WeakPolarHBondContact O-CA 3.35Å; A38-Y62 HydrophobicContact CB-CD1 3.29Å; A38-Y62 HydrophobicContact CB-CE1 3.07Å; A38-Y62 HydrophobicContact CB-CG 4.45Å
39F59.9Low84.1Confident133 Ų13355 Ų5558%0.58328%0.276SS*.THydrogen-bonded Turntrans-54-32.7-165.2-131.5-86.8000113.6D37 G59D37-F39 VanDerWaalsContact C-N 3.35Å; D37-F39 PolarHBondContact O-N 3.35Å; F39-G59 WeakPolarHBondContact O-CA 3.32Å
40N64.3Low84.4Confident137 Ų13758.1 Ų58.173%0.73329%0.292SS*.THydrogen-bonded Turntrans-136.613.8174.7-62.2-41.4000113.8A38A38-N40 PolarHBondContact O-N 2.99Å
41K82.1Confident84.6Confident72 Ų7256.7 Ų56.731%0.31329%0.291SS..THydrogen-bonded Turntrans-106.8-16.7-173.1-68.7-169.4178.9-174.80113.7V36 D37 A38 V79 S80 N81V36-K41 HydrophobicContact CG1-CB 3.68Å; V36-K41 HydrophobicContact CG1-CD 3.77Å; V36-K41 HydrophobicContact CG1-CG 4.37Å; D37-K41 WeakPolarHBondContact O-CD 3.28Å; A38-K41 PolarHBondContact O-N 3.08Å; K41-V79 CarbonylContact O-C 3.56Å; K41-V79 VanDerWaalsContact O-CA 3.25Å; K41-V79 WeakPolarHBondContact O-CA 3.13Å; K41-S80 WeakPolarHBondContact CA-O 3.32Å; K41-S80 WeakPolarHBondContact CB-O 3.32Å; K41-S80 WeakPolarHBondContact CG-O 3.31Å; K41-S80 PolarHBondContact O-N 3.31Å; K41-N81 PolarHBondContact NZ-OD1 3.13Å
42I91.1Very high85Confident6 Ų660.5 Ų60.53%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-126.6131.8-178.3-167.5168.5000111.1L29 A38 L44 E58 G59 Y62 F77 L78L29-I42 HydrophobicContact CD1-CD1 4.22Å; A38-I42 HydrophobicContact CB-CG2 3.64Å; I42-L44 HydrophobicContact CD1-CD2 3.9Å; I42-L44 HydrophobicContact CG1-CD2 3.98Å; I42-E58 WeakPolarHBondContact O-CA 3.42Å; I42-G59 WeakPolarHBondContact CG2-O 3.21Å; I42-G59 PolarHBondContact O-N 2.97Å; I42-Y62 HydrophobicContact CD1-CD2 3.77Å; I42-Y62 HydrophobicContact CD1-CE2 4.44Å; I42-Y62 HydrophobicContact CD1-CG 3.91Å; I42-Y62 HydrophobicContact CG2-CD1 3.74Å; I42-Y62 HydrophobicContact CG2-CG 3.78Å; I42-F77 HydrophobicContact CD1-CD2 4.42Å; I42-L78 WeakPolarHBondContact CA-O 3.27Å
43M93.7Very high85.5Confident15 Ų1562.1 Ų62.17%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-117.5124.8167.7-178.8-176.671.400108.2F45 V57 E58 F77 L78 I449 M450M43-F45 HydrophobicContact CE-CB 4.45Å; M43-F45 HydrophobicContact CE-CD1 3.88Å; M43-F45 HydrophobicContact CE-CG 4.43Å; M43-V57 CarbonylContact C-O 3.49Å; M43-V57 WeakPolarHBondContact CA-O 3.48Å; M43-E58 HydrophobicContact CB-CG 4.07Å; M43-E58 HydrophobicContact CG-CG 4Å; M43-F77 CarbonylContact O-C 3.55Å; M43-F77 WeakPolarHBondContact O-CA 3.43Å; M43-L78 HydrophobicContact CB-CB 4.35Å; M43-L78 HydrophobicContact CE-CB 4.09Å; M43-L78 HydrophobicContact CE-CD2 3.91Å; M43-L78 PolarHBondContact N-O 3.3Å; M43-L78 PolarHBondContact O-N 2.91Å; M43-I449 HydrophobicContact CE-CG2 4.44Å; M43-M450 HydrophobicContact CE-CE 3.79Å; M43-M450 HydrophobicContact CE-SD 3.83Å
44L95.7Very high86.3Confident1 Ų157 Ų571%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-94.3143.5167.1-50.6-172.4000108.7V26 I42 W55 S56 V57 Y62 R65 I67 F77V26-L44 HydrophobicContact CG2-CD2 4.41Å; I42-L44 HydrophobicContact CD1-CD2 3.9Å; I42-L44 HydrophobicContact CG1-CD2 3.98Å; L44-W55 HydrophobicContact CB-CH2 4.14Å; L44-W55 HydrophobicContact CB-CZ3 3.79Å; L44-S56 CarbonylContact O-C 3.49Å; L44-S56 VanDerWaalsContact O-CA 3.25Å; L44-S56 WeakPolarHBondContact O-CA 3.34Å; L44-V57 HydrophobicContact CB-CG1 3.95Å; L44-V57 HydrophobicContact CG-CG1 4.38Å; L44-V57 PolarHBondContact N-O 3.45Å; L44-V57 PolarHBondContact O-N 3.45Å; L44-Y62 WeakPolarHBondContact CD1-O 3.41Å; L44-R65 HydrophobicContact CD1-CB 3.8Å; L44-I67 HydrophobicContact CD2-CD1 4.16Å; L44-F77 HydrophobicContact CD2-CB 3.41Å; L44-F77 VanDerWaalsContact CD2-CB 3.41Å; L44-F77 HydrophobicContact CD2-CG 4.36Å
45F96.9Very high87.1Confident0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans-148.5159.3-17863.9-91.9000113.1V10 Y12 M43 W55 S75 G76 L78 W446 I449 M450V10-F45 HydrophobicContact CG2-CE1 3.9Å; V10-F45 HydrophobicContact CG2-CZ 3.7Å; Y12-F45 AromaticContact CD1-CE2 3.84Å; Y12-F45 HydrophobicContact CD1-CE2 3.84Å; Y12-F45 AromaticContact CD1-CZ 3.82Å; Y12-F45 HydrophobicContact CD1-CZ 3.82Å; Y12-F45 AromaticContact CE1-CE2 3.62Å; Y12-F45 HydrophobicContact CE1-CE2 3.62Å; Y12-F45 AromaticContact CE1-CZ 3.59Å; Y12-F45 HydrophobicContact CE1-CZ 3.59Å; M43-F45 HydrophobicContact CE-CB 4.45Å; M43-F45 HydrophobicContact CE-CD1 3.88Å; M43-F45 HydrophobicContact CE-CG 4.43Å; F45-W55 CarbonylContact C-O 3.55Å; F45-W55 WeakPolarHBondContact CA-O 3.28Å; F45-S75 CarbonylContact O-C 3.44Å; F45-S75 VanDerWaalsContact O-CA 3.31Å; F45-S75 WeakPolarHBondContact O-CA 3.42Å; F45-S75 WeakPolarHBondContact O-CB 3.45Å; F45-G76 PolarHBondContact N-O 2.86Å; F45-G76 PolarHBondContact O-N 3.08Å; F45-L78 HydrophobicContact CE1-CB 4.32Å; F45-W446 HydrophobicContact CD2-CZ3 4.18Å; F45-W446 HydrophobicContact CE2-CH2 4.39Å; F45-W446 AromaticContact CE2-CZ3 3.93Å; F45-W446 HydrophobicContact CE2-CZ3 3.93Å; F45-I449 HydrophobicContact CB-CG2 3.75Å; F45-I449 HydrophobicContact CG-CG2 4.29Å; F45-M450 HydrophobicContact CB-CE 4.36Å; F45-M450 HydrophobicContact CD1-CE 3.69Å; F45-M450 HydrophobicContact CD2-CE 3.62Å; F45-M450 HydrophobicContact CE1-CE 3.78Å; F45-M450 HydrophobicContact CE2-CE 3.74Å; F45-M450 HydrophobicContact CG-CE 3.61Å; F45-M450 HydrophobicContact CZ-CE 3.81Å
46S97.4Very high87.9Confident3 Ų347.6 Ų47.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-145.9118.7172.2-175.20000108.9S54 W55 S75 I449S46-S54 CarbonylContact O-C 3.47Å; S46-S54 WeakPolarHBondContact O-CA 3.25Å; S46-W55 PolarHBondContact N-O 3.45Å; S46-W55 PolarHBondContact O-N 2.91Å; S46-S75 WeakPolarHBondContact CA-OG 3.38Å; S46-S75 WeakPolarHBondContact CB-OG 3.37Å; S46-S75 PolarHBondContact OG-OG 2.91Å; S46-I449 WeakPolarHBondContact O-CD1 3.31Å
47C97.7Very high88.8Confident0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-110.499.9172.3179.80000109.3A73 A74 S442 W446 I449C47-A73 CarbonylContact O-C 3.59Å; C47-A73 VanDerWaalsContact O-CA 3.28Å; C47-A73 WeakPolarHBondContact O-CA 3.43Å; C47-A74 HydrophobicContact CB-CB 4.41Å; C47-A74 PolarHBondContact N-O 2.82Å; C47-A74 PolarHBondContact O-N 2.83Å; C47-S442 PolarHBondContact SG-O 3.47Å; C47-S442 VanDerWaalsContact SG-O 3.35Å; C47-W446 HydrophobicContact CB-CE3 3.88Å; C47-I449 HydrophobicContact CB-CD1 4.13Å
48S96.6Very high89.8Confident8 Ų849.5 Ų49.56%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-95.3151.8-171.1167.40000112.3D50 S54 S442S48-D50 WeakPolarHBondContact CB-O 3.21Å; S48-D50 PolarHBondContact O-N 3.07Å; S48-D50 PolarHBondContact OG-N 2.71Å; S48-D50 PolarHBondContact OG-O 2.78Å; S48-S54 PolarHBondContact N-OG 3.4Å; S48-S442 PolarHBondContact O-OG 3.28Å
49V95.1Very high90.5Very high33 Ų3349.8 Ų49.820%0.227%0.268CS..SBendtrans-60.7-28.5167.4-60.90000112P51 H72 P435 H438 N439 S442V49-P51 WeakPolarHBondContact O-CD 3.36Å; V49-H72 WeakPolarHBondContact CG1-O 3.26Å; V49-H72 HydrophobicContact CG2-CB 4Å; V49-H72 PolarHBondContact N-O 2.98Å; V49-P435 HydrophobicContact CG1-CB 4Å; V49-H438 HydrophobicContact CB-CB 4.37Å; V49-H438 HydrophobicContact CG1-CB 3.64Å; V49-H438 VanDerWaalsContact CG1-CG 3.45Å; V49-N439 PolarHBondContact O-ND2 3.22Å; V49-S442 WeakPolarHBondContact CA-OG 3.08Å; V49-S442 PolarHBondContact O-OG 3.37Å
50D96.3Very high91.1Very high70 Ų7045.2 Ų45.237%0.37425%0.252SS..SBendtrans-90.5107.7163-178.5-13.4000108.7S48 S52 L53S48-D50 WeakPolarHBondContact CB-O 3.21Å; S48-D50 PolarHBondContact O-N 3.07Å; S48-D50 PolarHBondContact OG-N 2.71Å; S48-D50 PolarHBondContact OG-O 2.78Å; D50-S52 PolarHBondContact O-N 3.37Å; D50-S52 VanDerWaalsContact O-N 3.15Å; D50-S52 WeakPolarHBondContact OD1-CB 3.18Å; D50-S52 PolarHBondContact OD1-N 3.09Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-S52 PolarHBondContact OD2-OG 2.71Å; D50-L53 HydrophobicContact CB-CD1 4.09Å; D50-L53 HydrophobicContact CB-CG 4.18Å; D50-L53 PolarHBondContact O-N 2.91Å
51P92.1Very high91.7Very high46 Ų4644.6 Ų44.630%0.29924%0.243SC..G310 helixtrans-61.8-23.3-176.726.5-36000113.1V49 L53 S54 F441V49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-L53 PolarHBondContact O-N 2.89Å; P51-S54 WeakPolarHBondContact O-CB 3.12Å; P51-S54 PolarHBondContact O-N 3.36Å; P51-S54 VanDerWaalsContact O-N 3.07Å; P51-F441 HydrophobicContact CB-CB 3.82Å; P51-F441 HydrophobicContact CG-CB 3.72Å; P51-F441 HydrophobicContact CG-CG 4.4Å
52S95Very high91.7Very high95 Ų9542.7 Ų42.766%0.66423%0.234SC*.G310 helixtrans-67.2-19.6176.874.40000113.3D50D50-S52 PolarHBondContact O-N 3.37Å; D50-S52 VanDerWaalsContact O-N 3.15Å; D50-S52 WeakPolarHBondContact OD1-CB 3.18Å; D50-S52 PolarHBondContact OD1-N 3.09Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-S52 PolarHBondContact OD2-OG 2.71Å
53L96.4Very high91.3Very high101 Ų10144.7 Ų44.753%0.52925%0.247SC..G310 helixtrans-97.14.6176.2-55.9179.6000112.6D50 P51D50-L53 HydrophobicContact CB-CD1 4.09Å; D50-L53 HydrophobicContact CB-CG 4.18Å; D50-L53 PolarHBondContact O-N 2.91Å; P51-L53 PolarHBondContact O-N 2.89Å
54S97.6Very high91Very high26 Ų2650 Ų5018%0.18227%0.271CS..  trans-84.6135177.5-61.60000111.3S46 S48 P51S46-S54 CarbonylContact O-C 3.47Å; S46-S54 WeakPolarHBondContact O-CA 3.25Å; S48-S54 PolarHBondContact N-OG 3.4Å; P51-S54 WeakPolarHBondContact O-CB 3.12Å; P51-S54 PolarHBondContact O-N 3.36Å; P51-S54 VanDerWaalsContact O-N 3.07Å
55W96.5Very high90.9Very high66 Ų6655 Ų5525%0.2529%0.291CS..EExtended strand (participates in β ladder)trans-158.1159.2-178.456-93000111.7L44 F45 S46 V57 I67L44-W55 HydrophobicContact CB-CH2 4.14Å; L44-W55 HydrophobicContact CB-CZ3 3.79Å; F45-W55 CarbonylContact C-O 3.55Å; F45-W55 WeakPolarHBondContact CA-O 3.28Å; S46-W55 PolarHBondContact N-O 3.45Å; S46-W55 PolarHBondContact O-N 2.91Å; W55-V57 HydrophobicContact CE3-CG1 4.4Å; W55-V57 HydrophobicContact CZ3-CG1 3.97Å; W55-I67 HydrophobicContact CH2-CG1 4.4Å
56S95.3Very high90.7Very high53 Ų5358.3 Ų58.337%0.37130%0.303SS..EExtended strand (participates in β ladder)trans-136.4152.8162.460.40000110L44L44-S56 CarbonylContact O-C 3.49Å; L44-S56 VanDerWaalsContact O-CA 3.25Å; L44-S56 WeakPolarHBondContact O-CA 3.34Å
57V92.2Very high90.7Very high31 Ų3158.2 Ų58.219%0.18830%0.302CS..EExtended strand (participates in β ladder)trans-143.5130172.267.30000109.4M43 L44 W55 R65M43-V57 CarbonylContact C-O 3.49Å; M43-V57 WeakPolarHBondContact CA-O 3.48Å; L44-V57 HydrophobicContact CB-CG1 3.95Å; L44-V57 HydrophobicContact CG-CG1 4.38Å; L44-V57 PolarHBondContact N-O 3.45Å; L44-V57 PolarHBondContact O-N 3.45Å; W55-V57 HydrophobicContact CE3-CG1 4.4Å; W55-V57 HydrophobicContact CZ3-CG1 3.97Å; V57-R65 HydrophobicContact CG1-CG 4.45Å
58E88.9Confident90.6Very high140 Ų14059.9 Ų59.965%0.65431%0.313SS*.EExtended strand (participates in β ladder)trans-97.3149.6172.1-63.9-175.2172.600110.3I42 M43I42-E58 WeakPolarHBondContact O-CA 3.42Å; M43-E58 HydrophobicContact CB-CG 4.07Å; M43-E58 HydrophobicContact CG-CG 4Å
59G79.6Confident90.5Very high9 Ų959.7 Ų59.79%0.09331%0.311CS..SBendtrans108.2-160.7162.400000116.3A38 F39 I42 F61A38-G59 CarbonylContact O-C 3.5Å; A38-G59 WeakPolarHBondContact O-CA 3.35Å; F39-G59 WeakPolarHBondContact O-CA 3.32Å; I42-G59 WeakPolarHBondContact CG2-O 3.21Å; I42-G59 PolarHBondContact O-N 2.97Å; G59-F61 VanDerWaalsContact C-N 3.31Å; G59-F61 PolarHBondContact O-N 3.27Å
60S72.9Confident90.4Very high38 Ų3859.8 Ų59.827%0.26631%0.312SS..G310 helixtrans-71.6-14.8-161.755.60000116Y62S60-Y62 WeakPolarHBondContact O-CD1 2.79Å; S60-Y62 PolarHBondContact O-N 3.24Å
61F76.9Confident90Very high123 Ų12358.4 Ų58.454%0.53931%0.307SS..G310 helixtrans-86.316.7-177.6-58.3-77000113.6G59 T63 E64G59-F61 VanDerWaalsContact C-N 3.31Å; G59-F61 PolarHBondContact O-N 3.27Å; F61-T63 PolarHBondContact O-N 2.98Å; F61-E64 PolarHBondContact O-N 3.19Å
62Y81.1Confident90Very high32 Ų3261.8 Ų61.813%0.12532%0.318CS..G310 helixtrans-60.1-26.8-179.371-83.3000113.5V26 A38 I42 L44 S60 E64V26-Y62 HydrophobicContact CB-CD2 3.95Å; V26-Y62 HydrophobicContact CB-CE2 4.41Å; V26-Y62 HydrophobicContact CG1-CD2 3.85Å; V26-Y62 HydrophobicContact CG1-CE2 3.86Å; A38-Y62 HydrophobicContact CB-CD1 3.29Å; A38-Y62 HydrophobicContact CB-CE1 3.07Å; A38-Y62 HydrophobicContact CB-CG 4.45Å; I42-Y62 HydrophobicContact CD1-CD2 3.77Å; I42-Y62 HydrophobicContact CD1-CE2 4.44Å; I42-Y62 HydrophobicContact CD1-CG 3.91Å; I42-Y62 HydrophobicContact CG2-CD1 3.74Å; I42-Y62 HydrophobicContact CG2-CG 3.78Å; L44-Y62 WeakPolarHBondContact CD1-O 3.41Å; S60-Y62 WeakPolarHBondContact O-CD1 2.79Å; S60-Y62 PolarHBondContact O-N 3.24Å; Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 2.61Å
63T83.5Confident90Very high48 Ų4857.4 Ų57.429%0.29429%0.288SS..G310 helixtrans-75.8-12.3177.755.20000114V26 F61V26-T63 WeakPolarHBondContact O-CA 3.12Å; F61-T63 PolarHBondContact O-N 2.98Å
64E87.6Confident90Very high126 Ų12652.6 Ų52.659%0.58926%0.263SS*.THydrogen-bonded Turntrans-99.9-18.9-174.9-62.5179.7-171.900112.8F61 Y62F61-E64 PolarHBondContact O-N 3.19Å; Y62-E64 VanDerWaalsContact C-N 3.25Å; Y62-E64 PolarHBondContact O-N 2.61Å
65R92.4Very high90Very high108 Ų10851.4 Ų51.441%0.40826%0.255SS..PPolyproline II helixtrans-96.7136.2-175.3-67.7-134.7-175.6-180-0.5112.6R25 L44 V57R25-R65 WeakPolarHBondContact CB-O 3.35Å; L44-R65 HydrophobicContact CD1-CB 3.8Å; V57-R65 HydrophobicContact CG1-CG 4.45Å
66W94.7Very high90Very high69 Ų6948.2 Ų48.226%0.26124%0.243SC..PPolyproline II helixtrans-89.9127.6171.3-68.596.9000110.3K23 M24 R25 E95 E97K23-W66 HydrophobicContact CB-CB 4.23Å; K23-W66 HydrophobicContact CB-CD2 4.43Å; K23-W66 HydrophobicContact CB-CE3 3.84Å; K23-W66 HydrophobicContact CD-CB 4.25Å; K23-W66 HydrophobicContact CD-CD2 3.82Å; K23-W66 HydrophobicContact CD-CE3 3.83Å; K23-W66 HydrophobicContact CD-CG 4.01Å; K23-W66 HydrophobicContact CD-CZ3 4.47Å; K23-W66 HydrophobicContact CG-CD2 4.27Å; K23-W66 HydrophobicContact CG-CE3 3.76Å; K23-W66 HydrophobicContact CG-CZ3 4.24Å; M24-W66 VanDerWaalsContact C-CE3 3.47Å; M24-W66 CarbonylContact O-C 3.6Å; M24-W66 WeakPolarHBondContact O-CA 3.35Å; R25-W66 HydrophobicContact CB-CD2 4.16Å; R25-W66 HydrophobicContact CB-CE3 3.98Å; R25-W66 HydrophobicContact CB-CZ3 4.27Å; R25-W66 HydrophobicContact CG-CD2 4.25Å; R25-W66 HydrophobicContact CG-CE3 4.02Å; R25-W66 HydrophobicContact CG-CH2 3.87Å; R25-W66 HydrophobicContact CG-CZ2 4.09Å; R25-W66 HydrophobicContact CG-CZ3 3.84Å; W66-E95 HydrophobicContact CH2-CB 4.26Å; W66-E95 HydrophobicContact CH2-CG 4.02Å; W66-E97 HydrophobicContact CE3-CB 4.41Å; W66-E97 HydrophobicContact CH2-CB 3.44Å; W66-E97 VanDerWaalsContact CH2-CB 3.44Å; W66-E97 HydrophobicContact CH2-CG 4.29Å; W66-E97 HydrophobicContact CZ2-CB 4.19Å; W66-E97 WeakPolarHBondContact CZ2-OE2 3.48Å; W66-E97 HydrophobicContact CZ3-CB 3.56Å
67I96Very high90Very high1 Ų145.7 Ų45.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-95.2130.6172.3-55.2164.1000106.8K23 M24 L44 W55 F77K23-I67 CarbonylContact C-O 3.14Å; K23-I67 VanDerWaalsContact CA-O 3.29Å; K23-I67 WeakPolarHBondContact CA-O 3.45Å; M24-I67 HydrophobicContact CE-CB 4.21Å; M24-I67 HydrophobicContact CE-CD1 3.84Å; M24-I67 HydrophobicContact CE-CG2 4.03Å; M24-I67 HydrophobicContact CG-CB 4Å; M24-I67 PolarHBondContact N-O 2.92Å; M24-I67 PolarHBondContact O-N 3.26Å; L44-I67 HydrophobicContact CD2-CD1 4.16Å; W55-I67 HydrophobicContact CH2-CG1 4.4Å; I67-F77 HydrophobicContact CD1-CB 4.46Å; I67-F77 HydrophobicContact CD1-CD1 3.97Å
68P95.6Very high90.2Very high34 Ų3444.8 Ų44.822%0.22122%0.219CC..EExtended strand (participates in β ladder)trans-67.4147.1178.430.1-35.7000111.5S13 T70 A73 S75S13-P68 PolarHBondContact OG-O 2.94Å; P68-T70 HydrophobicContact CB-CG2 3.9Å; P68-T70 HydrophobicContact CG-CG2 4.45Å; P68-A73 HydrophobicContact CG-CB 4.41Å; P68-S75 WeakPolarHBondContact CG-OG 3.41Å
69V95.3Very high90.3Very high4 Ų438.1 Ų38.12%0.02419%0.188CC..  trans-113.494.2170.5-176.40000106S13 Q22 M24 I136S13-V69 WeakPolarHBondContact OG-CA 3.25Å; S13-V69 WeakPolarHBondContact OG-CG2 3.39Å; Q22-V69 PolarHBondContact O-N 3.44Å; M24-V69 HydrophobicContact CB-CG2 3.91Å; M24-V69 HydrophobicContact CG-CG2 3.95Å; M24-V69 HydrophobicContact SD-CG2 4.31Å; V69-I136 HydrophobicContact CG1-CD1 4.48Å
70T91.7Very high90.7Very high35 Ų3539.5 Ų39.522%0.21520%0.196CC..SBendtrans-158.3143.3-170.3178.90000110.5P68 H72 A73 Y348P68-T70 HydrophobicContact CB-CG2 3.9Å; P68-T70 HydrophobicContact CG-CG2 4.45Å; T70-H72 HydrophobicContact CG2-CB 4.5Å; T70-H72 PolarHBondContact O-N 3.29Å; T70-H72 VanDerWaalsContact O-N 3.14Å; T70-H72 PolarHBondContact OG1-CD2 3.09Å; T70-H72 PolarHBondContact OG1-N 2.71Å; T70-A73 HydrophobicContact CG2-CB 3.85Å; T70-A73 PolarHBondContact O-N 2.86Å; T70-Y348 PolarHBondContact O-OH 3.17Å; T70-Y348 VanDerWaalsContact O-OH 3.05Å
71P89.6Confident91Very high42 Ų4238.8 Ų38.827%0.27319%0.189SC..THydrogen-bonded Turntrans-65.8-14.7173.929.1-36000112.8Y348 P435P71-Y348 PolarHBondContact O-OH 3.3Å; P71-P435 VanDerWaalsContact O-CG 3.24Å; P71-P435 WeakPolarHBondContact O-CG 3.37Å
72H92.1Very high90.6Very high116 Ų11641.9 Ų41.954%0.53720%0.198SC..THydrogen-bonded Turntrans-88.51.7-174.7-58.3-58.2000114.9V49 T70V49-H72 WeakPolarHBondContact CG1-O 3.26Å; V49-H72 HydrophobicContact CG2-CB 4Å; V49-H72 PolarHBondContact N-O 2.98Å; T70-H72 HydrophobicContact CG2-CB 4.5Å; T70-H72 PolarHBondContact O-N 3.29Å; T70-H72 VanDerWaalsContact O-N 3.14Å; T70-H72 PolarHBondContact OG1-CD2 3.09Å; T70-H72 PolarHBondContact OG1-N 2.71Å
73A94.6Very high90Very high4 Ų447.5 Ų47.53%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-148.9124.6178.200000111.5C47 P68 T70 S75 Y348C47-A73 CarbonylContact O-C 3.59Å; C47-A73 VanDerWaalsContact O-CA 3.28Å; C47-A73 WeakPolarHBondContact O-CA 3.43Å; P68-A73 HydrophobicContact CG-CB 4.41Å; T70-A73 HydrophobicContact CG2-CB 3.85Å; T70-A73 PolarHBondContact O-N 2.86Å; A73-S75 VanDerWaalsContact C-N 3.32Å; A73-S75 VanDerWaalsContact CB-OG 3.26Å; A73-S75 WeakPolarHBondContact CB-OG 3.16Å; A73-S75 PolarHBondContact O-N 3.44Å; A73-S75 PolarHBondContact O-OG 3.47Å; A73-Y348 VanDerWaalsContact C-OH 3.3Å; A73-Y348 PolarHBondContact O-OH 3.07Å
74A95.9Very high89.4Confident0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-7590.7169.600000108.2C47 Y348 P435 R436C47-A74 HydrophobicContact CB-CB 4.41Å; C47-A74 PolarHBondContact N-O 2.82Å; C47-A74 PolarHBondContact O-N 2.83Å; A74-Y348 HydrophobicContact CB-CE2 4.42Å; A74-P435 HydrophobicContact CB-CB 4.33Å; A74-R436 HydrophobicContact CB-CG 3.68Å
75S97Very high89Confident0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-122154.4-171.4-51.30000110.8Y12 S13 F45 S46 P68 A73Y12-S75 CarbonylContact C-O 3.57Å; Y12-S75 WeakPolarHBondContact CA-O 3.46Å; S13-S75 WeakPolarHBondContact CB-O 3.39Å; S13-S75 PolarHBondContact N-O 3.01Å; F45-S75 CarbonylContact O-C 3.44Å; F45-S75 VanDerWaalsContact O-CA 3.31Å; F45-S75 WeakPolarHBondContact O-CA 3.42Å; F45-S75 WeakPolarHBondContact O-CB 3.45Å; S46-S75 WeakPolarHBondContact CA-OG 3.38Å; S46-S75 WeakPolarHBondContact CB-OG 3.37Å; S46-S75 PolarHBondContact OG-OG 2.91Å; P68-S75 WeakPolarHBondContact CG-OG 3.41Å; A73-S75 VanDerWaalsContact C-N 3.32Å; A73-S75 VanDerWaalsContact CB-OG 3.26Å; A73-S75 WeakPolarHBondContact CB-OG 3.16Å; A73-S75 PolarHBondContact O-N 3.44Å; A73-S75 PolarHBondContact O-OG 3.47Å
76G96.9Very high88.5Confident0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans167.5-156.9-173.300000113.1I11 F45I11-G76 CarbonylContact O-C 3.56Å; I11-G76 WeakPolarHBondContact O-CA 3.41Å; F45-G76 PolarHBondContact N-O 2.86Å; F45-G76 PolarHBondContact O-N 3.08Å
77F95.7Very high87.9Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-143.6143.2176.456.6-83.1000111.8I11 M24 V26 L29 I42 M43 L44 I67 V79 V92 L94 F109I11-F77 HydrophobicContact CB-CD1 4.42Å; I11-F77 HydrophobicContact CB-CD2 4.44Å; I11-F77 HydrophobicContact CB-CE1 3.96Å; I11-F77 HydrophobicContact CB-CE2 4.01Å; I11-F77 HydrophobicContact CB-CZ 3.73Å; I11-F77 HydrophobicContact CD1-CD2 4.32Å; I11-F77 HydrophobicContact CD1-CE2 3.38Å; I11-F77 HydrophobicContact CD1-CZ 3.51Å; I11-F77 HydrophobicContact CG1-CE2 4.21Å; I11-F77 HydrophobicContact CG1-CZ 4.2Å; I11-F77 HydrophobicContact CG2-CE1 3.86Å; I11-F77 HydrophobicContact CG2-CZ 3.8Å; I11-F77 PolarHBondContact N-O 3.31Å; I11-F77 PolarHBondContact O-N 2.94Å; M24-F77 HydrophobicContact CE-CD1 4.12Å; M24-F77 HydrophobicContact CE-CE1 4.02Å; V26-F77 HydrophobicContact CG2-CD1 3.78Å; V26-F77 HydrophobicContact CG2-CD2 4.28Å; V26-F77 HydrophobicContact CG2-CE1 3.9Å; V26-F77 HydrophobicContact CG2-CE2 4.35Å; V26-F77 HydrophobicContact CG2-CG 4Å; V26-F77 HydrophobicContact CG2-CZ 4.19Å; L29-F77 HydrophobicContact CD1-CD2 4.45Å; L29-F77 HydrophobicContact CD1-CE2 4.13Å; I42-F77 HydrophobicContact CD1-CD2 4.42Å; M43-F77 CarbonylContact O-C 3.55Å; M43-F77 WeakPolarHBondContact O-CA 3.43Å; L44-F77 HydrophobicContact CD2-CB 3.41Å; L44-F77 VanDerWaalsContact CD2-CB 3.41Å; L44-F77 HydrophobicContact CD2-CG 4.36Å; I67-F77 HydrophobicContact CD1-CB 4.46Å; I67-F77 HydrophobicContact CD1-CD1 3.97Å; F77-V79 HydrophobicContact CD2-CG2 3.89Å; F77-V79 HydrophobicContact CE2-CG2 4.25Å; F77-V92 HydrophobicContact CE2-CG1 4.37Å; F77-V92 HydrophobicContact CE2-CG2 4.49Å; F77-V92 HydrophobicContact CZ-CG1 3.93Å; F77-L94 HydrophobicContact CE1-CD2 4.16Å; F77-L94 HydrophobicContact CZ-CD2 4.37Å; F77-F109 HydrophobicContact CZ-CZ 4.46Å
78L95.1Very high87.4Confident11 Ų1142.3 Ų42.36%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-111.3121.9177.2175.571.4000108.2A8 V10 I42 M43 F45 L410A8-L78 HydrophobicContact CB-CD1 3.87Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; I42-L78 WeakPolarHBondContact CA-O 3.27Å; M43-L78 HydrophobicContact CB-CB 4.35Å; M43-L78 HydrophobicContact CE-CB 4.09Å; M43-L78 HydrophobicContact CE-CD2 3.91Å; M43-L78 PolarHBondContact N-O 3.3Å; M43-L78 PolarHBondContact O-N 2.91Å; F45-L78 HydrophobicContact CE1-CB 4.32Å; L78-L410 HydrophobicContact CD1-CD1 3.99Å; L78-L410 HydrophobicContact CD2-CD1 4.33Å; L78-L410 HydrophobicContact CD2-CD2 4.46Å
79V92.5Very high87.1Confident0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-106105.8176.7-171.40000108.2A8 V9 L29 K41 F77A8-V79 CarbonylContact C-O 3.49Å; A8-V79 WeakPolarHBondContact CA-O 3.11Å; V9-V79 HydrophobicContact CG1-CB 3.87Å; V9-V79 HydrophobicContact CG1-CG2 4.33Å; V9-V79 PolarHBondContact N-O 2.87Å; V9-V79 PolarHBondContact O-N 2.88Å; L29-V79 HydrophobicContact CD1-CG1 4.45Å; L29-V79 HydrophobicContact CD1-CG2 3.47Å; L29-V79 VanDerWaalsContact CD1-CG2 3.47Å; L29-V79 HydrophobicContact CD2-CG1 4.1Å; K41-V79 CarbonylContact O-C 3.56Å; K41-V79 VanDerWaalsContact O-CA 3.25Å; K41-V79 WeakPolarHBondContact O-CA 3.13Å; F77-V79 HydrophobicContact CD2-CG2 3.89Å; F77-V79 HydrophobicContact CE2-CG2 4.25Å
80S88.2Confident87Confident39 Ų3942.6 Ų42.627%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-90.8122.6175.1-65.40000110.4V7 K41V7-S80 CarbonylContact O-C 3.56Å; V7-S80 WeakPolarHBondContact O-CA 3.48Å; K41-S80 WeakPolarHBondContact CA-O 3.32Å; K41-S80 WeakPolarHBondContact CB-O 3.32Å; K41-S80 WeakPolarHBondContact CG-O 3.31Å; K41-S80 PolarHBondContact O-N 3.31Å
81N78.6Confident87.1Confident23 Ų2342.5 Ų42.512%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-145.389.7170.1-166.113.6000110.9V7 I31 K41 N83 S84V7-N81 CarbonylContact O-C 3.46Å; V7-N81 PolarHBondContact O-N 2.98Å; I31-N81 HydrophobicContact CD1-CB 4.07Å; I31-N81 VanDerWaalsContact CD1-ND2 3.28Å; I31-N81 WeakPolarHBondContact CD1-ND2 3.12Å; K41-N81 PolarHBondContact NZ-OD1 3.13Å; N81-N83 PolarHBondContact O-N 3.46Å; N81-S84 PolarHBondContact ND2-OG 2.85Å; N81-S84 PolarHBondContact O-N 3.01Å
82R69.3Low87.4Confident188 Ų18840.5 Ų40.571%0.70921%0.209SC*.EExtended strand (participates in β ladder)trans-60.3-8.1-174-65.9-172.5178-165.2-1.7115.7V7V7-R82 HydrophobicContact CG1-CG 4.49Å
83N67.3Low87.5Confident149 Ų14937.4 Ų37.480%0.79720%0.196SC*.EExtended strand (participates in β ladder)trans-124.611.7-173.2-64.4-25.5000114.1N81N81-N83 PolarHBondContact O-N 3.46Å
84S72.2Confident87.6Confident5 Ų537.2 Ų37.24%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-72.2139.7177.2-77.30000112.1S5 Y6 N81S5-S84 VanDerWaalsContact CB-O 3.23Å; S5-S84 WeakPolarHBondContact CB-O 3.49Å; Y6-S84 VanDerWaalsContact CZ-OG 3.26Å; Y6-S84 WeakPolarHBondContact OH-CB 3.39Å; Y6-S84 PolarHBondContact OH-OG 2.91Å; N81-S84 PolarHBondContact ND2-OG 2.85Å; N81-S84 PolarHBondContact O-N 3.01Å
85S77.7Confident87.6Confident55 Ų5537.8 Ų37.839%0.38520%0.197SC..  trans-71.2154.3172.4-175.80000111.2N87 S88S85-N87 PolarHBondContact O-N 3.36Å; S85-N87 PolarHBondContact OG-N 3.36Å; S85-S88 WeakPolarHBondContact O-CB 3.47Å; S85-S88 PolarHBondContact O-N 3.5Å
86M81.7Confident87.6Confident42 Ų4237.8 Ų37.821%0.20720%0.197CC..THydrogen-bonded Turntrans-59.3-20.8167.6-67.2-65.2-62.500112.9K4 S88 P113 F144K4-M86 WeakPolarHBondContact O-CG 3.44Å; M86-S88 VanDerWaalsContact C-N 3.31Å; M86-P113 WeakPolarHBondContact O-CG 3.31Å; M86-F144 HydrophobicContact CE-CD1 4.28Å; M86-F144 HydrophobicContact CE-CE1 3.51Å; M86-F144 HydrophobicContact CE-CZ 4.12Å; M86-F144 HydrophobicContact SD-CD1 3.69Å; M86-F144 HydrophobicContact SD-CE1 3.32Å; M86-F144 WeakPolarHBondContact SD-CE1 3.39Å; M86-F144 HydrophobicContact SD-CZ 4.44Å
87N82.9Confident87.6Confident132 Ų13238.7 Ų38.771%0.70620%0.201SC*.THydrogen-bonded Turntrans-86.3-6179-64.4-27.3000112.8S85S85-N87 PolarHBondContact O-N 3.36Å; S85-N87 PolarHBondContact OG-N 3.36Å
88S85.5Confident87.5Confident10 Ų1039.3 Ų39.37%0.0721%0.205CC..PPolyproline II helixtrans-72.4138.5-176.6-71.30000111.9D32 S85 M86 P113D32-S88 VanDerWaalsContact OD1-CA 3.26Å; D32-S88 WeakPolarHBondContact OD1-CA 3Å; D32-S88 WeakPolarHBondContact OD2-CA 3.47Å; D32-S88 VanDerWaalsContact OD2-CB 3.29Å; D32-S88 WeakPolarHBondContact OD2-CB 3.47Å; D32-S88 PolarHBondContact OD2-OG 3.2Å; S85-S88 WeakPolarHBondContact O-CB 3.47Å; S85-S88 PolarHBondContact O-N 3.5Å; M86-S88 VanDerWaalsContact C-N 3.31Å; S88-P113 WeakPolarHBondContact O-CD 3.39Å
89I90.3Very high87.2Confident43 Ų4343.8 Ų43.822%0.22123%0.233CC..PPolyproline II helixtrans-103.4118.4178.5-56.3172.8000108.9I31 D32 S91 T110 R112I31-I89 WeakPolarHBondContact CA-O 3.2Å; D32-I89 PolarHBondContact N-O 3.16Å; D32-I89 PolarHBondContact OD1-N 2.96Å; I89-S91 PolarHBondContact O-N 3.42Å; I89-T110 HydrophobicContact CG2-CG2 4.23Å; I89-R112 HydrophobicContact CG1-CG 4.08Å
90L91.9Very high87.1Confident1 Ų148.1 Ų48.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-79.3120.2168.3-179.876.4000108.7V9 I11 L29 K30 I31 V92 T110 L111V9-L90 HydrophobicContact CG1-CD2 3.86Å; I11-L90 HydrophobicContact CD1-CD2 3.93Å; L29-L90 HydrophobicContact CD1-CD1 4.22Å; L29-L90 HydrophobicContact CD2-CD1 3.5Å; L29-L90 VanDerWaalsContact CD2-CD1 3.5Å; L29-L90 HydrophobicContact CG-CD1 3.84Å; K30-L90 CarbonylContact O-C 3.59Å; K30-L90 WeakPolarHBondContact O-CA 3.43Å; I31-L90 HydrophobicContact CG1-CD1 4.07Å; L90-V92 HydrophobicContact CD1-CG2 4.4Å; L90-V92 HydrophobicContact CD2-CG2 3.77Å; L90-V92 HydrophobicContact CG-CG2 3.83Å; L90-T110 CarbonylContact O-C 3.54Å; L90-T110 WeakPolarHBondContact O-CA 3.33Å; L90-L111 HydrophobicContact CB-CB 4.35Å; L90-L111 HydrophobicContact CD2-CD1 4.24Å; L90-L111 PolarHBondContact N-O 2.99Å; L90-L111 PolarHBondContact O-N 3.19Å
91S94.1Very high87.2Confident32 Ų3247.6 Ų47.622%0.22426%0.264CS..EExtended strand (participates in β ladder)trans-109.8127.7170.5-53.20000109.6L29 K30 I89L29-S91 WeakPolarHBondContact CA-O 3.49Å; K30-S91 PolarHBondContact N-O 3.29Å; K30-S91 PolarHBondContact O-N 2.93Å; I89-S91 PolarHBondContact O-N 3.42Å
92V95Very high87.9Confident0 Ų050.5 Ų50.50%029%0.286CS..EExtended strand (participates in β ladder)trans-125131-177.8-175.30000109.6I11 L29 F77 L90 L94 S108 F109I11-V92 HydrophobicContact CD1-CG2 4.4Å; L29-V92 HydrophobicContact CD1-CG2 4.3Å; L29-V92 HydrophobicContact CG-CG2 4.38Å; F77-V92 HydrophobicContact CE2-CG1 4.37Å; F77-V92 HydrophobicContact CE2-CG2 4.49Å; F77-V92 HydrophobicContact CZ-CG1 3.93Å; L90-V92 HydrophobicContact CD1-CG2 4.4Å; L90-V92 HydrophobicContact CD2-CG2 3.77Å; L90-V92 HydrophobicContact CG-CG2 3.83Å; V92-L94 HydrophobicContact CG1-CD2 3.73Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-S108 VanDerWaalsContact O-CA 3.26Å; V92-S108 WeakPolarHBondContact O-CA 3.47Å; V92-F109 HydrophobicContact CB-CD1 4.36Å; V92-F109 HydrophobicContact CB-CD2 4.4Å; V92-F109 HydrophobicContact CB-CE1 3.83Å; V92-F109 HydrophobicContact CB-CE2 3.87Å; V92-F109 HydrophobicContact CB-CZ 3.57Å; V92-F109 HydrophobicContact CG1-CE1 3.92Å; V92-F109 HydrophobicContact CG1-CZ 3.81Å; V92-F109 HydrophobicContact CG2-CE2 3.82Å; V92-F109 HydrophobicContact CG2-CZ 3.83Å; V92-F109 PolarHBondContact N-O 3.3Å; V92-F109 PolarHBondContact O-N 3.44Å
93D95.5Very high89Confident51 Ų5143 Ų4327%0.27326%0.259SS..EExtended strand (participates in β ladder)trans-110.1124.8168-57-45.2000109.1R27 S28 S108R27-D93 HydrophobicContact CB-CB 4.25Å; R27-D93 PolarHBondContact N-O 3.2Å; S28-D93 VanDerWaalsContact CB-OD2 3.27Å; S28-D93 WeakPolarHBondContact CB-OD2 3.42Å; S28-D93 PolarHBondContact N-O 3.4Å; S28-D93 PolarHBondContact O-N 3.34Å; S28-D93 PolarHBondContact OG-OD2 3.23Å; D93-S108 VanDerWaalsContact OD1-CB 3.31Å; D93-S108 WeakPolarHBondContact OD1-CB 3.15Å; D93-S108 PolarHBondContact OD1-OG 3.45Å
94L96.6Very high90.3Very high0 Ų039.7 Ų39.70%024%0.237CC..EExtended strand (participates in β ladder)trans-110.7142.8176.7-60.1-178.4000110.7M24 R25 V26 F77 V92 C106 V107 F109 L138M24-L94 HydrophobicContact SD-CD1 4Å; R25-L94 WeakPolarHBondContact O-CA 3.34Å; V26-L94 HydrophobicContact CB-CD2 4.37Å; V26-L94 HydrophobicContact CG2-CD2 3.91Å; F77-L94 HydrophobicContact CE1-CD2 4.16Å; F77-L94 HydrophobicContact CZ-CD2 4.37Å; V92-L94 HydrophobicContact CG1-CD2 3.73Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; L94-C106 VanDerWaalsContact O-CA 3.24Å; L94-C106 WeakPolarHBondContact O-CA 3.4Å; L94-V107 HydrophobicContact CB-CG1 3.98Å; L94-V107 HydrophobicContact CD1-CG1 4.37Å; L94-V107 PolarHBondContact N-O 2.89Å; L94-V107 PolarHBondContact O-N 3.33Å; L94-F109 HydrophobicContact CD1-CE1 3.83Å; L94-F109 HydrophobicContact CG-CE1 4.14Å; L94-L138 HydrophobicContact CD1-CD1 3.69Å
95E96.5Very high91.4Very high12 Ų1240 Ų406%0.05624%0.239CC..EExtended strand (participates in β ladder)trans-101.1137.7162.5-161.7171.2151.900108.6M24 R25 R27 W66 K104M24-E95 CarbonylContact C-O 3.57Å; M24-E95 WeakPolarHBondContact CA-O 3.26Å; R25-E95 HydrophobicContact CG-CB 3.72Å; R25-E95 IonicContact CZ-OE1 3.15Å; R25-E95 IonicContact CZ-OE2 2.65Å; R25-E95 PolarHBondContact N-O 2.83Å; R25-E95 IonicContact NE-OE1 3.86Å; R25-E95 IonicContact NE-OE2 3.84Å; R25-E95 PolarHBondContact NE-OE2 3.2Å; R25-E95 VanDerWaalsContact NH2-CD 3.26Å; R25-E95 IonicContact NH2-OE1 3.82Å; R25-E95 PolarHBondContact NH2-OE1 2.73Å; R25-E95 VanDerWaalsContact NH2-OE1 3.15Å; R25-E95 IonicContact NH2-OE2 2.78Å; R25-E95 PolarHBondContact NH2-OE2 3.07Å; R25-E95 PolarHBondContact O-N 2.64Å; R27-E95 HydrophobicContact CG-CB 3.65Å; R27-E95 IonicContact NE-OE2 2.67Å; W66-E95 HydrophobicContact CH2-CB 4.26Å; W66-E95 HydrophobicContact CH2-CG 4.02Å; E95-K104 IonicContact OE1-NZ 3.36Å
96L96.9Very high92.2Very high0 Ų040.5 Ų40.50%024%0.243CC..EExtended strand (participates in β ladder)trans-117.5143179.5-57.6170.2000108.7F21 M24 K104 S105 V107 V126 I136F21-L96 HydrophobicContact CB-CB 3.98Å; F21-L96 HydrophobicContact CD1-CB 3.63Å; F21-L96 HydrophobicContact CD2-CB 4.45Å; F21-L96 HydrophobicContact CD2-CD1 4.36Å; F21-L96 HydrophobicContact CE1-CB 4.21Å; F21-L96 HydrophobicContact CG-CB 3.75Å; F21-L96 HydrophobicContact CG-CD1 4.41Å; M24-L96 HydrophobicContact CB-CD2 3.62Å; L96-K104 VanDerWaalsContact O-CA 3.28Å; L96-K104 WeakPolarHBondContact O-CA 3.47Å; L96-S105 PolarHBondContact N-O 3.07Å; L96-S105 PolarHBondContact O-N 3.4Å; L96-V107 HydrophobicContact CD1-CB 4.45Å; L96-V107 HydrophobicContact CD1-CG1 3.99Å; L96-V107 HydrophobicContact CG-CG1 4.45Å; L96-V126 HydrophobicContact CD1-CB 4.13Å; L96-V126 HydrophobicContact CD1-CG1 3.62Å; L96-V126 HydrophobicContact CD1-CG2 4.24Å; L96-I136 HydrophobicContact CD1-CD1 4.19Å; L96-I136 HydrophobicContact CD1-CG1 3.64Å; L96-I136 HydrophobicContact CD2-CD1 4.23Å; L96-I136 HydrophobicContact CD2-CG1 4.14Å
97E95.5Very high92.9Very high19 Ų1939.3 Ų39.39%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-146.1144.8-179.4-170.6179-134.100111Q22 K23 W66 E103 K104Q22-E97 PolarHBondContact N-O 3.48Å; K23-E97 HydrophobicContact CD-CB 4.29Å; K23-E97 WeakPolarHBondContact CE-OE2 3.4Å; K23-E97 HydrophobicContact CG-CB 4.05Å; K23-E97 VanDerWaalsContact CG-O 3.28Å; K23-E97 WeakPolarHBondContact CG-O 3.42Å; K23-E97 PolarHBondContact N-O 2.93Å; K23-E97 IonicContact NZ-OE2 2.63Å; K23-E97 PolarHBondContact NZ-OE2 3.03Å; K23-E97 PolarHBondContact O-N 2.89Å; W66-E97 HydrophobicContact CE3-CB 4.41Å; W66-E97 HydrophobicContact CH2-CB 3.44Å; W66-E97 VanDerWaalsContact CH2-CB 3.44Å; W66-E97 HydrophobicContact CH2-CG 4.29Å; W66-E97 HydrophobicContact CZ2-CB 4.19Å; W66-E97 WeakPolarHBondContact CZ2-OE2 3.48Å; W66-E97 HydrophobicContact CZ3-CB 3.56Å; E97-E103 WeakPolarHBondContact CA-O 3.48Å; E97-K104 HydrophobicContact CG-CG 4.18Å; E97-K104 WeakPolarHBondContact OE1-CE 3.49Å; E97-K104 IonicContact OE1-NZ 3.49Å; E97-K104 PolarHBondContact OE1-NZ 3.26Å
98T94.2Very high93.6Very high14 Ų1436.6 Ų36.69%0.08623%0.229CC..  trans-68.3161.4169.952.60000111.1V20 K23 S100 G101 S102 E103V20-T98 HydrophobicContact CG1-CG2 4.04Å; V20-T98 WeakPolarHBondContact O-CG2 3.26Å; K23-T98 WeakPolarHBondContact CE-O 3.33Å; T98-S100 PolarHBondContact O-N 3.17Å; T98-S100 PolarHBondContact OG1-OG 3.17Å; T98-S100 VanDerWaalsContact OG1-OG 3.05Å; T98-G101 PolarHBondContact O-N 2.9Å; T98-G101 PolarHBondContact OG1-N 2.69Å; T98-S102 PolarHBondContact OG1-N 3.34Å; T98-S102 VanDerWaalsContact OG1-N 3.15Å; T98-S102 PolarHBondContact OG1-OG 3.03Å; T98-E103 HydrophobicContact CG2-CB 3.62Å; T98-E103 HydrophobicContact CG2-CG 4.1Å; T98-E103 PolarHBondContact N-O 3.04Å; T98-E103 VanDerWaalsContact N-O 3.14Å; T98-E103 PolarHBondContact OG1-N 2.93Å
99V88.7Confident94.1Very high104 Ų10436.9 Ų36.963%0.6323%0.229SC*.THydrogen-bonded Turntrans-55-40.4173.3157.50000112.2Q22 G101Q22-V99 HydrophobicContact CB-CG2 3.8Å; Q22-V99 HydrophobicContact CG-CG2 4.42Å; V99-G101 VanDerWaalsContact C-N 3.26Å; V99-G101 PolarHBondContact O-N 3.33Å
100S90.4Very high94.4Very high91 Ų9138.6 Ų38.664%0.63624%0.242SC*.THydrogen-bonded Turntrans-70-17.9177.954.80000114.2T98 S102T98-S100 PolarHBondContact O-N 3.17Å; T98-S100 PolarHBondContact OG1-OG 3.17Å; T98-S100 VanDerWaalsContact OG1-OG 3.05Å; S100-S102 PolarHBondContact O-N 3Å; S100-S102 WeakPolarHBondContact OG-CB 3.49Å; S100-S102 PolarHBondContact OG-N 3.32Å; S100-S102 PolarHBondContact OG-OG 3.22Å
101G91.2Very high94.5Very high28 Ų2838.9 Ų38.929%0.28924%0.243SC..SBendtrans74.16.4-169.800000114.5T98 V99T98-G101 PolarHBondContact O-N 2.9Å; T98-G101 PolarHBondContact OG1-N 2.69Å; V99-G101 VanDerWaalsContact C-N 3.26Å; V99-G101 PolarHBondContact O-N 3.33Å
102S91.8Very high94.4Very high84 Ų8445.1 Ų45.159%0.58726%0.262SS*.  trans-73.7-27.3-176.2610000113.5T98 S100T98-S102 PolarHBondContact OG1-N 3.34Å; T98-S102 VanDerWaalsContact OG1-N 3.15Å; T98-S102 PolarHBondContact OG1-OG 3.03Å; S100-S102 PolarHBondContact O-N 3Å; S100-S102 WeakPolarHBondContact OG-CB 3.49Å; S100-S102 PolarHBondContact OG-N 3.32Å; S100-S102 PolarHBondContact OG-OG 3.22Å
103E92.6Very high94.3Very high32 Ų3245.5 Ų45.515%0.1526%0.264CS..  trans-125.9140-178.3-62.8-67.6159.700109.7F21 E97 T98 S128 S130 I132F21-E103 HydrophobicContact CE1-CB 4.49Å; E97-E103 WeakPolarHBondContact CA-O 3.48Å; T98-E103 HydrophobicContact CG2-CB 3.62Å; T98-E103 HydrophobicContact CG2-CG 4.1Å; T98-E103 PolarHBondContact N-O 3.04Å; T98-E103 VanDerWaalsContact N-O 3.14Å; T98-E103 PolarHBondContact OG1-N 2.93Å; E103-S128 WeakPolarHBondContact OE2-CB 3.38Å; E103-S128 PolarHBondContact OE2-OG 3.06Å; E103-S130 WeakPolarHBondContact OE1-CB 3.4Å; E103-S130 PolarHBondContact OE1-OG 3.41Å; E103-S130 WeakPolarHBondContact OE2-CB 3.28Å; E103-S130 PolarHBondContact OE2-N 3.45Å; E103-S130 PolarHBondContact OE2-OG 3.27Å; E103-I132 HydrophobicContact CG-CD1 4.28Å
104K94.6Very high94.2Very high78 Ų7846.8 Ų46.834%0.33927%0.271SS..EExtended strand (participates in β ladder)trans-128.8156.8175.5-65.9-175.6178.7-161.40110.3E95 L96 E97 S128 D129E95-K104 IonicContact OE1-NZ 3.36Å; L96-K104 VanDerWaalsContact O-CA 3.28Å; L96-K104 WeakPolarHBondContact O-CA 3.47Å; E97-K104 HydrophobicContact CG-CG 4.18Å; E97-K104 WeakPolarHBondContact OE1-CE 3.49Å; E97-K104 IonicContact OE1-NZ 3.49Å; E97-K104 PolarHBondContact OE1-NZ 3.26Å; K104-S128 WeakPolarHBondContact O-CA 3.35Å; K104-D129 PolarHBondContact O-N 2.86Å; K104-D129 VanDerWaalsContact O-N 3.14Å
105S96.3Very high93.9Very high11 Ų1148.3 Ų48.38%0.07728%0.277CS..EExtended strand (participates in β ladder)trans-151.4167.3168.7-167.50000109.5F21 L96 S127F21-S105 VanDerWaalsContact CZ-CB 3.49Å; L96-S105 PolarHBondContact N-O 3.07Å; L96-S105 PolarHBondContact O-N 3.4Å; S105-S127 VanDerWaalsContact CB-O 3.29Å; S105-S127 WeakPolarHBondContact CB-O 3.21Å; S105-S127 PolarHBondContact OG-O 2.77Å
106C95.4Very high93.7Very high67 Ų6754 Ų5445%0.45330%0.304SS..EExtended strand (participates in β ladder)trans-131.1142.3171.4-72.80000108.8R27 L94R27-C106 PolarHBondContact NH1-SG 3.16Å; L94-C106 VanDerWaalsContact O-CA 3.24Å; L94-C106 WeakPolarHBondContact O-CA 3.4Å
107V96.1Very high93.4Very high16 Ų1657.5 Ų57.510%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-137.6144.3175.870.20000109.9L94 L96 L124 V126L94-V107 HydrophobicContact CB-CG1 3.98Å; L94-V107 HydrophobicContact CD1-CG1 4.37Å; L94-V107 PolarHBondContact N-O 2.89Å; L94-V107 PolarHBondContact O-N 3.33Å; L96-V107 HydrophobicContact CD1-CB 4.45Å; L96-V107 HydrophobicContact CD1-CG1 3.99Å; L96-V107 HydrophobicContact CG-CG1 4.45Å; V107-L124 HydrophobicContact CG1-CD1 4.16Å; V107-L124 HydrophobicContact CG2-CB 3.89Å; V107-L124 HydrophobicContact CG2-CD1 4.03Å; V107-L124 HydrophobicContact CG2-CG 4.38Å; V107-V126 HydrophobicContact CB-CG1 3.86Å; V107-V126 HydrophobicContact CG1-CG1 4.37Å; V107-V126 HydrophobicContact CG2-CG1 3.98Å
108S96.5Very high93.4Very high75 Ų7556.6 Ų56.652%0.52432%0.318SS..EExtended strand (participates in β ladder)trans-128.3144.3-178.9-58.10000110.1V92 D93V92-S108 VanDerWaalsContact O-CA 3.26Å; V92-S108 WeakPolarHBondContact O-CA 3.47Å; D93-S108 VanDerWaalsContact OD1-CB 3.31Å; D93-S108 WeakPolarHBondContact OD1-CB 3.15Å; D93-S108 PolarHBondContact OD1-OG 3.45Å
109F96.9Very high93.4Very high17 Ų1756.2 Ų56.28%0.07532%0.315CS..EExtended strand (participates in β ladder)trans-147.4162.1174.161.5-89.2000110.8I11 F77 V92 L94 L111 L122 L124 L138I11-F109 HydrophobicContact CD1-CE2 4.08Å; I11-F109 HydrophobicContact CD1-CZ 4.12Å; I11-F109 HydrophobicContact CG2-CZ 4.4Å; F77-F109 HydrophobicContact CZ-CZ 4.46Å; V92-F109 HydrophobicContact CB-CD1 4.36Å; V92-F109 HydrophobicContact CB-CD2 4.4Å; V92-F109 HydrophobicContact CB-CE1 3.83Å; V92-F109 HydrophobicContact CB-CE2 3.87Å; V92-F109 HydrophobicContact CB-CZ 3.57Å; V92-F109 HydrophobicContact CG1-CE1 3.92Å; V92-F109 HydrophobicContact CG1-CZ 3.81Å; V92-F109 HydrophobicContact CG2-CE2 3.82Å; V92-F109 HydrophobicContact CG2-CZ 3.83Å; V92-F109 PolarHBondContact N-O 3.3Å; V92-F109 PolarHBondContact O-N 3.44Å; L94-F109 HydrophobicContact CD1-CE1 3.83Å; L94-F109 HydrophobicContact CG-CE1 4.14Å; F109-L111 HydrophobicContact CD2-CD1 4.4Å; F109-L111 HydrophobicContact CD2-CD2 4.35Å; F109-L111 HydrophobicContact CD2-CG 3.94Å; F109-L111 HydrophobicContact CE2-CD1 3.94Å; F109-L111 HydrophobicContact CE2-CG 3.97Å; F109-L122 HydrophobicContact CB-CD1 4.37Å; F109-L122 HydrophobicContact CD1-CD1 4.26Å; F109-L122 HydrophobicContact CD2-CD1 3.45Å; F109-L122 VanDerWaalsContact CD2-CD1 3.45Å; F109-L122 HydrophobicContact CE1-CD1 4.43Å; F109-L122 HydrophobicContact CE2-CD1 3.66Å; F109-L122 HydrophobicContact CG-CD1 3.78Å; F109-L122 HydrophobicContact CZ-CD1 4.15Å; F109-L124 HydrophobicContact CB-CD2 4.26Å; F109-L124 HydrophobicContact CD1-CD1 3.75Å; F109-L124 HydrophobicContact CE1-CD1 4.31Å; F109-L124 HydrophobicContact CG-CD1 4.44Å; F109-L138 HydrophobicContact CD1-CD1 4.18Å; F109-L138 HydrophobicContact CE1-CD1 3.48Å; F109-L138 VanDerWaalsContact CE1-CD1 3.48Å; F109-L138 HydrophobicContact CZ-CD1 3.88Å
110T95.5Very high93.7Very high79 Ų7952.1 Ų52.149%0.48529%0.294SS..EExtended strand (participates in β ladder)trans-124.8135.7175.460.60000110.4I89 L90I89-T110 HydrophobicContact CG2-CG2 4.23Å; L90-T110 CarbonylContact O-C 3.54Å; L90-T110 WeakPolarHBondContact O-CA 3.33Å
111L94.9Very high93.9Very high6 Ų648.6 Ų48.63%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-116.5141.9173.9-62.2178.5000110.1V9 I11 L90 F109 L122 Y140 F142V9-L111 HydrophobicContact CG2-CD1 4.46Å; I11-L111 HydrophobicContact CD1-CD1 3.98Å; I11-L111 HydrophobicContact CG1-CD1 4.24Å; L90-L111 HydrophobicContact CB-CB 4.35Å; L90-L111 HydrophobicContact CD2-CD1 4.24Å; L90-L111 PolarHBondContact N-O 2.99Å; L90-L111 PolarHBondContact O-N 3.19Å; F109-L111 HydrophobicContact CD2-CD1 4.4Å; F109-L111 HydrophobicContact CD2-CD2 4.35Å; F109-L111 HydrophobicContact CD2-CG 3.94Å; F109-L111 HydrophobicContact CE2-CD1 3.94Å; F109-L111 HydrophobicContact CE2-CG 3.97Å; L111-L122 HydrophobicContact CD2-CD1 4.13Å; L111-L122 HydrophobicContact CD2-CD2 4.01Å; L111-L122 HydrophobicContact CD2-CG 4.5Å; L111-Y140 HydrophobicContact CD1-CD1 4.04Å; L111-Y140 HydrophobicContact CD1-CD2 3.95Å; L111-Y140 HydrophobicContact CD1-CG 3.63Å; L111-Y140 HydrophobicContact CD2-CD1 3.65Å; L111-Y140 HydrophobicContact CD2-CD2 4.28Å; L111-Y140 HydrophobicContact CD2-CE1 3.56Å; L111-Y140 HydrophobicContact CD2-CE2 4.19Å; L111-Y140 HydrophobicContact CD2-CG 4.02Å; L111-Y140 HydrophobicContact CG-CG 4.48Å; L111-F142 HydrophobicContact CB-CE2 3.86Å; L111-F142 HydrophobicContact CB-CZ 3.6Å; L111-F142 HydrophobicContact CD1-CE2 4.4Å; L111-F142 HydrophobicContact CD1-CZ 4.43Å
112R92.6Very high94.1Very high163 Ų16348.6 Ų48.662%0.61526%0.261SS*.  trans-116132.6170.8-70.1-172.6178.988.30.6108.7I89 D114 F142I89-R112 HydrophobicContact CG1-CG 4.08Å; R112-D114 PolarHBondContact O-N 3.34Å; R112-F142 WeakPolarHBondContact O-CE2 3.13Å
113P92.2Very high94.4Very high9 Ų945.7 Ų45.76%0.05824%0.241CC..  trans-69.9126.417729.6-33.4000109.8Y6 M86 S88 F142 F144Y6-P113 HydrophobicContact CD1-CB 3.69Å; Y6-P113 HydrophobicContact CD1-CG 3.65Å; Y6-P113 HydrophobicContact CE1-CB 4.3Å; Y6-P113 HydrophobicContact CE1-CG 3.91Å; Y6-P113 HydrophobicContact CG-CB 4.2Å; M86-P113 WeakPolarHBondContact O-CG 3.31Å; S88-P113 WeakPolarHBondContact O-CD 3.39Å; P113-F142 HydrophobicContact CB-CD1 3.77Å; P113-F142 HydrophobicContact CB-CE1 3.8Å; P113-F142 HydrophobicContact CB-CG 4.19Å; P113-F142 HydrophobicContact CB-CZ 4.23Å; P113-F144 HydrophobicContact CB-CE1 3.89Å; P113-F144 HydrophobicContact CB-CZ 4Å
114D92.4Very high94.6Very high77 Ų7745.1 Ų45.141%0.41224%0.239SC..  trans-129.7126.2170.4-170.7-15.3000109R112 Q116 D117 D118 F144R112-D114 PolarHBondContact O-N 3.34Å; D114-Q116 VanDerWaalsContact C-N 3.31Å; D114-Q116 PolarHBondContact OD1-N 3.12Å; D114-D117 HydrophobicContact CB-CB 4.39Å; D114-D117 CarbonylContact O-C 3.6Å; D114-D117 PolarHBondContact O-N 3.27Å; D114-D117 VanDerWaalsContact O-O 3.11Å; D114-D118 VanDerWaalsContact O-CA 3.28Å; D114-D118 WeakPolarHBondContact O-CA 3.28Å; D114-D118 PolarHBondContact O-N 3.21Å; D114-F144 VanDerWaalsContact C-CZ 3.41Å; D114-F144 WeakPolarHBondContact O-CE2 3.2Å; D114-F144 WeakPolarHBondContact O-CZ 3.28Å
115Y91.6Very high94.6Very high32 Ų3246.2 Ų46.213%0.12525%0.254CS..SBendtrans-73.5-27178.7-174.4-91.2000112.1K4 D117 F144 N376 K377 D380K4-Y115 HydrophobicContact CD-CD2 3.53Å; K4-Y115 HydrophobicContact CD-CE2 3.5Å; K4-Y115 VanDerWaalsContact CD-CE2 3.5Å; K4-Y115 HydrophobicContact CD-CG 4.14Å; K4-Y115 PolarHBondContact NZ-OH 2.99Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; Y115-F144 HydrophobicContact CD2-CB 3.83Å; Y115-F144 HydrophobicContact CD2-CD1 4.26Å; Y115-F144 AromaticContact CD2-CD2 3.58Å; Y115-F144 HydrophobicContact CD2-CD2 3.58Å; Y115-F144 HydrophobicContact CD2-CE2 4.23Å; Y115-F144 AromaticContact CD2-CG 3.61Å; Y115-F144 HydrophobicContact CD2-CG 3.61Å; Y115-F144 HydrophobicContact CE2-CB 4.08Å; Y115-F144 HydrophobicContact CE2-CD2 4.28Å; Y115-F144 HydrophobicContact CE2-CG 4.31Å; Y115-F144 HydrophobicContact CG-CD2 4.45Å; Y115-N376 HydrophobicContact CD2-CB 4.25Å; Y115-N376 HydrophobicContact CE2-CB 3.67Å; Y115-K377 HydrophobicContact CE1-CB 4.3Å; Y115-K377 VanDerWaalsContact OH-CA 3.32Å; Y115-K377 WeakPolarHBondContact OH-CA 3.48Å; Y115-D380 WeakPolarHBondContact CE2-OD2 3.5Å; Y115-D380 PolarHBondContact OH-OD2 3.32Å
116Q91.3Very high94.6Very high132 Ų13246.1 Ų46.162%0.61725%0.252SS*.SBendtrans-81.2-17.6176.4-59.2-56.9-40.700112.2D114 K374D114-Q116 VanDerWaalsContact C-N 3.31Å; D114-Q116 PolarHBondContact OD1-N 3.12Å; Q116-K374 WeakPolarHBondContact O-CE 3.41Å; Q116-K374 WeakPolarHBondContact O-CG 3.43Å
117D91.5Very high94.5Very high73 Ų7345.5 Ų45.539%0.3925%0.249SC..SBendtrans-139.876.8174.4-161.129.6000110.2D114 Y115 Q119 K374D114-D117 HydrophobicContact CB-CB 4.39Å; D114-D117 CarbonylContact O-C 3.6Å; D114-D117 PolarHBondContact O-N 3.27Å; D114-D117 VanDerWaalsContact O-O 3.11Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; D117-Q119 PolarHBondContact O-N 2.84Å; D117-K374 IonicContact OD1-NZ 3.39Å; D117-K374 PolarHBondContact OD1-NZ 3.43Å
118D94.6Very high94.2Very high0 Ų045 Ų450%025%0.246CC..  trans-78.2-6.5-168.658.6-0.4000114.2D114 L141 F142 F144 I375 N376D114-D118 VanDerWaalsContact O-CA 3.28Å; D114-D118 WeakPolarHBondContact O-CA 3.28Å; D114-D118 PolarHBondContact O-N 3.21Å; D118-L141 HydrophobicContact CB-CD1 4.4Å; D118-L141 CarbonylContact O-C 3.58Å; D118-L141 WeakPolarHBondContact O-CA 3.44Å; D118-F142 PolarHBondContact O-N 3.38Å; D118-F144 HydrophobicContact CB-CD2 4.45Å; D118-F144 HydrophobicContact CB-CE2 3.83Å; D118-I375 PolarHBondContact OD2-N 3Å; D118-I375 VanDerWaalsContact OD2-N 3.1Å; D118-N376 WeakPolarHBondContact CB-ND2 3.33Å; D118-N376 WeakPolarHBondContact OD2-CB 3.45Å; D118-N376 PolarHBondContact OD2-N 3.44Å; D118-N376 PolarHBondContact OD2-ND2 3.31Å
119Q94.5Very high93.8Very high6 Ų648 Ų483%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-151.8154-172.779.6177.433.500111.9D117 Y139 Y140 L141 S369D117-Q119 PolarHBondContact O-N 2.84Å; Q119-Y139 HydrophobicContact CB-CE2 3.96Å; Q119-Y139 HydrophobicContact CG-CE2 4.34Å; Q119-Y139 PolarHBondContact OE1-OH 3.04Å; Q119-Y140 CarbonylContact C-O 3.56Å; Q119-Y140 WeakPolarHBondContact CA-O 3.49Å; Q119-Y140 WeakPolarHBondContact CB-O 3.22Å; Q119-L141 HydrophobicContact CB-CB 4.16Å; Q119-L141 HydrophobicContact CB-CD1 3.79Å; Q119-S369 WeakPolarHBondContact CG-OG 3.19Å; Q119-S369 PolarHBondContact NE2-OG 3.4Å
120G94.1Very high93.6Very high18 Ų1850.8 Ų50.819%0.18628%0.278CS..EExtended strand (participates in β ladder)trans-170.4169.1-18000000115Y139 Y140G120-Y139 WeakPolarHBondContact O-CD2 3.49Å; G120-Y140 VanDerWaalsContact C-CE1 3.48Å; G120-Y140 PolarHBondContact N-O 3.2Å; G120-Y140 WeakPolarHBondContact O-CD1 3.25Å; G120-Y140 WeakPolarHBondContact O-CE1 3.26Å; G120-Y140 PolarHBondContact O-N 2.75Å
121L95.8Very high93.4Very high17 Ų1749.2 Ų49.29%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-104.1132.9178.7-176.166.5000110.5L138 V351 V361 L365L121-L138 WeakPolarHBondContact CD1-O 3.22Å; L121-V351 HydrophobicContact CD1-CG2 3.68Å; L121-V351 HydrophobicContact CD2-CG2 3.71Å; L121-V351 HydrophobicContact CG-CG2 4.38Å; L121-V361 HydrophobicContact CD2-CG1 3.56Å; L121-L365 HydrophobicContact CD2-CB 4.39Å; L121-L365 HydrophobicContact CD2-CD2 4.49Å
122L96.1Very high93.3Very high28 Ų2852.4 Ų52.415%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-106.5117170.8-55.1175.8000108.6F109 L111 L124 Y137 L138 Y140F109-L122 HydrophobicContact CB-CD1 4.37Å; F109-L122 HydrophobicContact CD1-CD1 4.26Å; F109-L122 HydrophobicContact CD2-CD1 3.45Å; F109-L122 VanDerWaalsContact CD2-CD1 3.45Å; F109-L122 HydrophobicContact CE1-CD1 4.43Å; F109-L122 HydrophobicContact CE2-CD1 3.66Å; F109-L122 HydrophobicContact CG-CD1 3.78Å; F109-L122 HydrophobicContact CZ-CD1 4.15Å; L111-L122 HydrophobicContact CD2-CD1 4.13Å; L111-L122 HydrophobicContact CD2-CD2 4.01Å; L111-L122 HydrophobicContact CD2-CG 4.5Å; L122-L124 HydrophobicContact CB-CD1 4.45Å; L122-L124 HydrophobicContact CB-CD2 4.17Å; L122-L124 HydrophobicContact CB-CG 4.06Å; L122-Y137 WeakPolarHBondContact O-CA 3.38Å; L122-L138 HydrophobicContact CB-CB 4.18Å; L122-L138 HydrophobicContact CD1-CB 4.27Å; L122-L138 HydrophobicContact CD1-CD1 4.39Å; L122-L138 PolarHBondContact N-O 2.92Å; L122-L138 PolarHBondContact O-N 3.38Å; L122-Y140 HydrophobicContact CD1-CD1 4.36Å; L122-Y140 HydrophobicContact CD2-CD1 4.3Å; L122-Y140 HydrophobicContact CD2-CE1 4.05Å; L122-Y140 HydrophobicContact CG-CD1 4.03Å; L122-Y140 HydrophobicContact CG-CE1 4.25Å
123C96.3Very high93.4Very high23 Ų2350.5 Ų50.516%0.15530%0.295CS..EExtended strand (participates in β ladder)trans-100.2103168.6-54.40000107.7P125 E135 Y137 V361 P363C123-P125 WeakPolarHBondContact O-CD 3.39Å; C123-E135 HydrophobicContact CB-CG 4.41Å; C123-Y137 HydrophobicContact CB-CD1 4.09Å; C123-Y137 HydrophobicContact CB-CE1 4.04Å; C123-V361 PolarHBondContact SG-O 2.82Å; C123-P363 HydrophobicContact CB-CG 4.29Å
124L96.6Very high93.5Very high21 Ų2150.5 Ų50.511%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-106.5105.3-170.3-60177.7000110.2V107 F109 L122 E135 I136 L138V107-L124 HydrophobicContact CG1-CD1 4.16Å; V107-L124 HydrophobicContact CG2-CB 3.89Å; V107-L124 HydrophobicContact CG2-CD1 4.03Å; V107-L124 HydrophobicContact CG2-CG 4.38Å; F109-L124 HydrophobicContact CB-CD2 4.26Å; F109-L124 HydrophobicContact CD1-CD1 3.75Å; F109-L124 HydrophobicContact CE1-CD1 4.31Å; F109-L124 HydrophobicContact CG-CD1 4.44Å; L122-L124 HydrophobicContact CB-CD1 4.45Å; L122-L124 HydrophobicContact CB-CD2 4.17Å; L122-L124 HydrophobicContact CB-CG 4.06Å; L124-E135 WeakPolarHBondContact O-CA 3.44Å; L124-I136 HydrophobicContact CB-CB 4.44Å; L124-I136 PolarHBondContact N-O 3.11Å; L124-I136 PolarHBondContact O-N 3.26Å; L124-L138 HydrophobicContact CD1-CD1 3.66Å; L124-L138 HydrophobicContact CD1-CG 4.21Å
125P95.7Very high93.6Very high100 Ų10048.5 Ų48.565%0.64928%0.283SS*.EExtended strand (participates in β ladder)trans-67.2135.4176.328.1-34.2000110C123C123-P125 WeakPolarHBondContact O-CD 3.39Å
126V95.4Very high93.9Very high9 Ų947 Ų476%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-136.3146-177.2-65.70000110.6F21 L96 V107 D134 I136F21-V126 HydrophobicContact CD2-CG2 3.73Å; F21-V126 HydrophobicContact CE2-CB 4.24Å; F21-V126 HydrophobicContact CE2-CG2 3.58Å; L96-V126 HydrophobicContact CD1-CB 4.13Å; L96-V126 HydrophobicContact CD1-CG1 3.62Å; L96-V126 HydrophobicContact CD1-CG2 4.24Å; V107-V126 HydrophobicContact CB-CG1 3.86Å; V107-V126 HydrophobicContact CG1-CG1 4.37Å; V107-V126 HydrophobicContact CG2-CG1 3.98Å; V126-D134 HydrophobicContact CG2-CB 3.87Å; V126-D134 WeakPolarHBondContact CG2-O 3.35Å; V126-D134 PolarHBondContact N-O 3.21Å; V126-D134 PolarHBondContact O-N 2.99Å; V126-D134 VanDerWaalsContact O-O 3.06Å; V126-I136 HydrophobicContact CG1-CG1 4.17Å; V126-I136 HydrophobicContact CG2-CG1 3.94Å
127S94.1Very high94.1Very high54 Ų5440.8 Ų40.838%0.37825%0.248SC..EExtended strand (participates in β ladder)trans-121.5135171.2-179.30000108.2S105 I132S105-S127 VanDerWaalsContact CB-O 3.29Å; S105-S127 WeakPolarHBondContact CB-O 3.21Å; S105-S127 PolarHBondContact OG-O 2.77Å; S127-I132 CarbonylContact C-O 3.43Å; S127-I132 WeakPolarHBondContact CA-O 3.33Å
128S90.6Very high94.4Very high5 Ų537.3 Ų37.34%0.03523%0.229CC..  trans-68.1164.8167.580.10000111.3E103 K104 S130 G131 I132E103-S128 WeakPolarHBondContact OE2-CB 3.38Å; E103-S128 PolarHBondContact OE2-OG 3.06Å; K104-S128 WeakPolarHBondContact O-CA 3.35Å; S128-S130 PolarHBondContact O-N 2.78Å; S128-S130 PolarHBondContact OG-N 3.07Å; S128-S130 PolarHBondContact OG-OG 2.88Å; S128-G131 PolarHBondContact O-N 3.34Å; S128-G131 PolarHBondContact OG-N 3.26Å; S128-I132 PolarHBondContact N-O 3.34Å; S128-I132 WeakPolarHBondContact OG-CB 3.42Å; S128-I132 PolarHBondContact OG-N 3.34Å
129D87.9Confident94.4Very high140 Ų14037.3 Ų37.375%0.74923%0.229SC*.THydrogen-bonded Turntrans-57.7-29.9172.4-68.5-25.5000112.5K104K104-D129 PolarHBondContact O-N 2.86Å; K104-D129 VanDerWaalsContact O-N 3.14Å
130S91Very high94.5Very high74 Ų7438.5 Ų38.552%0.51723%0.234SC..THydrogen-bonded Turntrans-85.8-0.817471.50000115.2E103 S128E103-S130 WeakPolarHBondContact OE1-CB 3.4Å; E103-S130 PolarHBondContact OE1-OG 3.41Å; E103-S130 WeakPolarHBondContact OE2-CB 3.28Å; E103-S130 PolarHBondContact OE2-N 3.45Å; E103-S130 PolarHBondContact OE2-OG 3.27Å; S128-S130 PolarHBondContact O-N 2.78Å; S128-S130 PolarHBondContact OG-N 3.07Å; S128-S130 PolarHBondContact OG-OG 2.88Å
131G92.4Very high94.6Very high46 Ų4637.7 Ų37.747%0.47423%0.225SC..  trans91.413.3177.100000115.3S128 L133S128-G131 PolarHBondContact O-N 3.34Å; S128-G131 PolarHBondContact OG-N 3.26Å; G131-L133 PolarHBondContact O-N 3.44Å
132I92.6Very high94.6Very high73 Ų7336.9 Ų36.937%0.37422%0.221SC..  trans-73.6124.4173.7-58.6171.9000108.8V20 E103 S127 S128V20-I132 HydrophobicContact CG1-CG2 4Å; V20-I132 HydrophobicContact CG2-CG2 3.75Å; E103-I132 HydrophobicContact CG-CD1 4.28Å; S127-I132 CarbonylContact C-O 3.43Å; S127-I132 WeakPolarHBondContact CA-O 3.33Å; S128-I132 PolarHBondContact N-O 3.34Å; S128-I132 WeakPolarHBondContact OG-CB 3.42Å; S128-I132 PolarHBondContact OG-N 3.34Å
133L94.6Very high94.6Very high124 Ų12435.5 Ų35.565%0.64921%0.214SC*.EExtended strand (participates in β ladder)trans-87.2136.4178.3-58.3179.6000111.4N18 G131N18-L133 PolarHBondContact ND2-O 2.95Å; G131-L133 PolarHBondContact O-N 3.44Å
134D94.5Very high94.5Very high9 Ų934.4 Ų34.45%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-147.3178.9171.1-154.2-9.6000109.9S16 K17 N18 V20 F21 V126S16-D134 PolarHBondContact OG-OD1 3.11Å; S16-D134 PolarHBondContact OG-OD2 3.48Å; K17-D134 WeakPolarHBondContact CB-OD1 3.44Å; K17-D134 PolarHBondContact N-OD1 3.15Å; N18-D134 WeakPolarHBondContact CB-OD1 3.44Å; N18-D134 PolarHBondContact N-OD1 3.37Å; V20-D134 WeakPolarHBondContact CA-OD2 3.41Å; V20-D134 HydrophobicContact CB-CB 4.12Å; V20-D134 WeakPolarHBondContact CB-OD2 3.25Å; V20-D134 HydrophobicContact CG2-CB 4.12Å; V20-D134 WeakPolarHBondContact CG2-OD2 3.44Å; V20-D134 PolarHBondContact N-OD2 3.22Å; F21-D134 HydrophobicContact CD2-CB 4.08Å; F21-D134 HydrophobicContact CE2-CB 4.14Å; V126-D134 HydrophobicContact CG2-CB 3.87Å; V126-D134 WeakPolarHBondContact CG2-O 3.35Å; V126-D134 PolarHBondContact N-O 3.21Å; V126-D134 PolarHBondContact O-N 2.99Å; V126-D134 VanDerWaalsContact O-O 3.06Å
135E95.4Very high94.2Very high35 Ų3535.4 Ų35.416%0.16421%0.212CC..EExtended strand (participates in β ladder)trans-142.8125.6177.1-179.3166.849.400109.1S16 K17 C123 L124 Y137S16-E135 CarbonylContact C-O 3.56Å; S16-E135 WeakPolarHBondContact CA-O 3.42Å; S16-E135 PolarHBondContact OG-O 2.92Å; K17-E135 HydrophobicContact CB-CB 3.94Å; K17-E135 HydrophobicContact CD-CB 4.04Å; K17-E135 PolarHBondContact N-O 3.44Å; K17-E135 IonicContact NZ-OE1 2.72Å; K17-E135 PolarHBondContact NZ-OE1 2.76Å; C123-E135 HydrophobicContact CB-CG 4.41Å; L124-E135 WeakPolarHBondContact O-CA 3.44Å; E135-Y137 HydrophobicContact CG-CE1 3.88Å; E135-Y137 PolarHBondContact OE1-OH 2.96Å
136I96.1Very high94.1Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-97.1128.1179.8-56.8-65.6000109.2S16 F21 V69 L96 L124 V126 L138S16-I136 VanDerWaalsContact OG-CD1 3.24Å; S16-I136 WeakPolarHBondContact OG-CD1 3.27Å; F21-I136 HydrophobicContact CB-CD1 3.98Å; F21-I136 HydrophobicContact CD2-CD1 4.39Å; V69-I136 HydrophobicContact CG1-CD1 4.48Å; L96-I136 HydrophobicContact CD1-CD1 4.19Å; L96-I136 HydrophobicContact CD1-CG1 3.64Å; L96-I136 HydrophobicContact CD2-CD1 4.23Å; L96-I136 HydrophobicContact CD2-CG1 4.14Å; L124-I136 HydrophobicContact CB-CB 4.44Å; L124-I136 PolarHBondContact N-O 3.11Å; L124-I136 PolarHBondContact O-N 3.26Å; V126-I136 HydrophobicContact CG1-CG1 4.17Å; V126-I136 HydrophobicContact CG2-CG1 3.94Å; I136-L138 HydrophobicContact CG2-CD2 3.74Å; I136-L138 HydrophobicContact CG2-CG 4.08Å
137Y96.7Very high93.7Very high1 Ų137.8 Ų37.80%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-100.7118.1175.5-54.9-73.5000110.1V14 N15 K17 L122 C123 E135 V351 L355 V361V14-Y137 WeakPolarHBondContact CB-O 3.45Å; V14-Y137 PolarHBondContact N-O 2.82Å; N15-Y137 PolarHBondContact O-N 2.97Å; K17-Y137 HydrophobicContact CB-CE2 3.73Å; K17-Y137 HydrophobicContact CG-CE2 4.43Å; L122-Y137 WeakPolarHBondContact O-CA 3.38Å; C123-Y137 HydrophobicContact CB-CD1 4.09Å; C123-Y137 HydrophobicContact CB-CE1 4.04Å; E135-Y137 HydrophobicContact CG-CE1 3.88Å; E135-Y137 PolarHBondContact OE1-OH 2.96Å; Y137-V351 HydrophobicContact CD2-CG1 4.21Å; Y137-V351 HydrophobicContact CG-CG1 4.01Å; Y137-L355 HydrophobicContact CD2-CD1 3.93Å; Y137-L355 HydrophobicContact CD2-CD2 4.48Å; Y137-L355 HydrophobicContact CE2-CD1 3.91Å; Y137-L355 HydrophobicContact CE2-CD2 3.66Å; Y137-L355 HydrophobicContact CE2-CG 4.31Å; Y137-V361 HydrophobicContact CD1-CB 4.18Å; Y137-V361 HydrophobicContact CD1-CG1 3.65Å; Y137-V361 HydrophobicContact CE1-CB 3.57Å; Y137-V361 HydrophobicContact CE1-CG1 3.55Å; Y137-V361 HydrophobicContact CG-CG1 4.39Å
138L96.8Very high93.3Very high0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-117137.6173.4-51.3177.9000109.8I11 Y12 M24 L94 F109 L121 L122 L124 I136I11-L138 HydrophobicContact CG2-CB 4.23Å; I11-L138 HydrophobicContact CG2-CD1 4.33Å; Y12-L138 VanDerWaalsContact O-CA 3.29Å; Y12-L138 WeakPolarHBondContact O-CA 3.42Å; M24-L138 HydrophobicContact SD-CD2 4.02Å; L94-L138 HydrophobicContact CD1-CD1 3.69Å; F109-L138 HydrophobicContact CD1-CD1 4.18Å; F109-L138 HydrophobicContact CE1-CD1 3.48Å; F109-L138 VanDerWaalsContact CE1-CD1 3.48Å; F109-L138 HydrophobicContact CZ-CD1 3.88Å; L121-L138 WeakPolarHBondContact CD1-O 3.22Å; L122-L138 HydrophobicContact CB-CB 4.18Å; L122-L138 HydrophobicContact CD1-CB 4.27Å; L122-L138 HydrophobicContact CD1-CD1 4.39Å; L122-L138 PolarHBondContact N-O 2.92Å; L122-L138 PolarHBondContact O-N 3.38Å; L124-L138 HydrophobicContact CD1-CD1 3.66Å; L124-L138 HydrophobicContact CD1-CG 4.21Å; I136-L138 HydrophobicContact CG2-CD2 3.74Å; I136-L138 HydrophobicContact CG2-CG 4.08Å
139Y95.5Very high92.8Very high1 Ų142.4 Ų42.40%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-111.5128.5173.5159.5-127.4000109.2I11 Y12 Q119 G120 L141 P347 D403I11-Y139 CarbonylContact C-O 3.56Å; I11-Y139 WeakPolarHBondContact CA-O 3.1Å; Y12-Y139 AromaticContact CD2-CD1 3.51Å; Y12-Y139 HydrophobicContact CD2-CD1 3.51Å; Y12-Y139 AromaticContact CD2-CE1 3.79Å; Y12-Y139 HydrophobicContact CD2-CE1 3.79Å; Y12-Y139 HydrophobicContact CD2-CG 4.43Å; Y12-Y139 HydrophobicContact CE2-CD1 4.18Å; Y12-Y139 AromaticContact CE2-CE1 3.98Å; Y12-Y139 HydrophobicContact CE2-CE1 3.98Å; Y12-Y139 HydrophobicContact CG-CD1 4.26Å; Y12-Y139 PolarHBondContact N-O 2.75Å; Y12-Y139 PolarHBondContact O-N 3.02Å; Q119-Y139 HydrophobicContact CB-CE2 3.96Å; Q119-Y139 HydrophobicContact CG-CE2 4.34Å; Q119-Y139 PolarHBondContact OE1-OH 3.04Å; G120-Y139 WeakPolarHBondContact O-CD2 3.49Å; Y139-L141 HydrophobicContact CE2-CB 4.5Å; Y139-P347 HydrophobicContact CD1-CB 4.11Å; Y139-P347 HydrophobicContact CD1-CG 4.27Å; Y139-P347 HydrophobicContact CD2-CB 3.56Å; Y139-P347 HydrophobicContact CD2-CG 3.52Å; Y139-P347 HydrophobicContact CE1-CB 4.44Å; Y139-P347 HydrophobicContact CE1-CG 4.11Å; Y139-P347 HydrophobicContact CE2-CB 3.96Å; Y139-P347 HydrophobicContact CE2-CG 3.36Å; Y139-P347 HydrophobicContact CG-CB 3.67Å; Y139-P347 HydrophobicContact CG-CG 4.01Å; Y139-D403 WeakPolarHBondContact CE1-OD2 2.85Å; Y139-D403 VanDerWaalsContact CZ-OD2 3.32Å; Y139-D403 PolarHBondContact OH-OD2 3.49Å
140Y96.5Very high92.3Very high31 Ų3145.5 Ų45.512%0.12224%0.243CC..EExtended strand (participates in β ladder)trans-117.2150.3177.172.4-89.4000112.4V10 L111 Q119 G120 L122 F142V10-Y140 CarbonylContact O-C 3.5Å; V10-Y140 VanDerWaalsContact O-CA 3.23Å; V10-Y140 WeakPolarHBondContact O-CA 3.37Å; L111-Y140 HydrophobicContact CD1-CD1 4.04Å; L111-Y140 HydrophobicContact CD1-CD2 3.95Å; L111-Y140 HydrophobicContact CD1-CG 3.63Å; L111-Y140 HydrophobicContact CD2-CD1 3.65Å; L111-Y140 HydrophobicContact CD2-CD2 4.28Å; L111-Y140 HydrophobicContact CD2-CE1 3.56Å; L111-Y140 HydrophobicContact CD2-CE2 4.19Å; L111-Y140 HydrophobicContact CD2-CG 4.02Å; L111-Y140 HydrophobicContact CG-CG 4.48Å; Q119-Y140 CarbonylContact C-O 3.56Å; Q119-Y140 WeakPolarHBondContact CA-O 3.49Å; Q119-Y140 WeakPolarHBondContact CB-O 3.22Å; G120-Y140 VanDerWaalsContact C-CE1 3.48Å; G120-Y140 PolarHBondContact N-O 3.2Å; G120-Y140 WeakPolarHBondContact O-CD1 3.25Å; G120-Y140 WeakPolarHBondContact O-CE1 3.26Å; G120-Y140 PolarHBondContact O-N 2.75Å; L122-Y140 HydrophobicContact CD1-CD1 4.36Å; L122-Y140 HydrophobicContact CD2-CD1 4.3Å; L122-Y140 HydrophobicContact CD2-CE1 4.05Å; L122-Y140 HydrophobicContact CG-CD1 4.03Å; L122-Y140 HydrophobicContact CG-CE1 4.25Å; Y140-F142 AromaticContact CD2-CD2 3.79Å; Y140-F142 HydrophobicContact CD2-CD2 3.79Å; Y140-F142 AromaticContact CD2-CE2 3.79Å; Y140-F142 HydrophobicContact CD2-CE2 3.79Å; Y140-F142 AromaticContact CE2-CD2 3.8Å; Y140-F142 HydrophobicContact CE2-CD2 3.8Å; Y140-F142 AromaticContact CE2-CE2 3.75Å; Y140-F142 HydrophobicContact CE2-CE2 3.75Å
141L96.8Very high91.4Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-139.2118.2171.3166.766.1000109.5V9 V10 D118 Q119 Y139 I143 I375 D403V9-L141 WeakPolarHBondContact CA-O 3.47Å; V10-L141 HydrophobicContact CG1-CB 3.78Å; V10-L141 HydrophobicContact CG1-CD2 4.42Å; V10-L141 HydrophobicContact CG1-CG 4.38Å; V10-L141 PolarHBondContact N-O 3.01Å; V10-L141 PolarHBondContact O-N 3.15Å; D118-L141 HydrophobicContact CB-CD1 4.4Å; D118-L141 CarbonylContact O-C 3.58Å; D118-L141 WeakPolarHBondContact O-CA 3.44Å; Q119-L141 HydrophobicContact CB-CB 4.16Å; Q119-L141 HydrophobicContact CB-CD1 3.79Å; Y139-L141 HydrophobicContact CE2-CB 4.5Å; L141-I143 HydrophobicContact CD1-CD1 4.05Å; L141-I143 HydrophobicContact CD2-CD1 3.69Å; L141-I143 HydrophobicContact CG-CD1 3.62Å; L141-I143 HydrophobicContact CG-CG1 4.48Å; L141-I375 HydrophobicContact CD1-CB 4.25Å; L141-I375 HydrophobicContact CD1-CD1 4.28Å; L141-I375 HydrophobicContact CD1-CG2 4.39Å; L141-I375 HydrophobicContact CD2-CD1 3.96Å; L141-I375 HydrophobicContact CD2-CG2 4.44Å; L141-D403 HydrophobicContact CD2-CB 3.74Å
142F95.9Very high90.3Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-79132.3167.9-76.8-81.5000110.1Y6 V9 L111 R112 P113 D118 Y140 F144 N376Y6-F142 HydrophobicContact CD2-CD1 4.09Å; Y6-F142 HydrophobicContact CD2-CE1 4.43Å; Y6-F142 HydrophobicContact CE2-CE1 4.46Å; Y6-F142 HydrophobicContact CG-CD1 4.14Å; V9-F142 HydrophobicContact CB-CD1 3.64Å; V9-F142 HydrophobicContact CB-CE1 3.75Å; V9-F142 HydrophobicContact CB-CG 4.28Å; V9-F142 HydrophobicContact CB-CZ 4.48Å; V9-F142 HydrophobicContact CG1-CD1 4.49Å; V9-F142 HydrophobicContact CG1-CE1 4.19Å; V9-F142 HydrophobicContact CG2-CD1 3.85Å; V9-F142 HydrophobicContact CG2-CD2 4.31Å; V9-F142 HydrophobicContact CG2-CE1 3.84Å; V9-F142 HydrophobicContact CG2-CE2 4.31Å; V9-F142 HydrophobicContact CG2-CG 4.09Å; V9-F142 HydrophobicContact CG2-CZ 4.08Å; L111-F142 HydrophobicContact CB-CE2 3.86Å; L111-F142 HydrophobicContact CB-CZ 3.6Å; L111-F142 HydrophobicContact CD1-CE2 4.4Å; L111-F142 HydrophobicContact CD1-CZ 4.43Å; R112-F142 WeakPolarHBondContact O-CE2 3.13Å; P113-F142 HydrophobicContact CB-CD1 3.77Å; P113-F142 HydrophobicContact CB-CE1 3.8Å; P113-F142 HydrophobicContact CB-CG 4.19Å; P113-F142 HydrophobicContact CB-CZ 4.23Å; D118-F142 PolarHBondContact O-N 3.38Å; Y140-F142 AromaticContact CD2-CD2 3.79Å; Y140-F142 HydrophobicContact CD2-CD2 3.79Å; Y140-F142 AromaticContact CD2-CE2 3.79Å; Y140-F142 HydrophobicContact CD2-CE2 3.79Å; Y140-F142 AromaticContact CE2-CD2 3.8Å; Y140-F142 HydrophobicContact CE2-CD2 3.8Å; Y140-F142 AromaticContact CE2-CE2 3.75Å; Y140-F142 HydrophobicContact CE2-CE2 3.75Å; F142-F144 HydrophobicContact CB-CE2 3.73Å; F142-F144 HydrophobicContact CB-CZ 3.84Å; F142-N376 PolarHBondContact O-ND2 2.98Å
143I95.6Very high89.2Confident0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-109.1124172.6-54.7-57.2000108.6Y6 V7 A8 L141 A407 L410 K411Y6-I143 CarbonylContact C-O 3.27Å; V7-I143 HydrophobicContact CG2-CB 4.17Å; V7-I143 HydrophobicContact CG2-CG2 3.78Å; V7-I143 VanDerWaalsContact CG2-O 3.27Å; V7-I143 WeakPolarHBondContact CG2-O 3.27Å; V7-I143 PolarHBondContact N-O 3.05Å; A8-I143 PolarHBondContact N-O 3.23Å; A8-I143 PolarHBondContact O-N 2.75Å; L141-I143 HydrophobicContact CD1-CD1 4.05Å; L141-I143 HydrophobicContact CD2-CD1 3.69Å; L141-I143 HydrophobicContact CG-CD1 3.62Å; L141-I143 HydrophobicContact CG-CG1 4.48Å; I143-A407 HydrophobicContact CD1-CB 3.55Å; I143-L410 HydrophobicContact CG1-CD1 4.17Å; I143-L410 HydrophobicContact CG2-CB 4.05Å; I143-K411 HydrophobicContact CG2-CG 4.01Å
144F93.8Very high88.2Confident0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-95.3148-177.8-63.5-85.7000112.9M86 P113 D114 Y115 D118 F142 N376 K411M86-F144 HydrophobicContact CE-CD1 4.28Å; M86-F144 HydrophobicContact CE-CE1 3.51Å; M86-F144 HydrophobicContact CE-CZ 4.12Å; M86-F144 HydrophobicContact SD-CD1 3.69Å; M86-F144 HydrophobicContact SD-CE1 3.32Å; M86-F144 WeakPolarHBondContact SD-CE1 3.39Å; M86-F144 HydrophobicContact SD-CZ 4.44Å; P113-F144 HydrophobicContact CB-CE1 3.89Å; P113-F144 HydrophobicContact CB-CZ 4Å; D114-F144 VanDerWaalsContact C-CZ 3.41Å; D114-F144 WeakPolarHBondContact O-CE2 3.2Å; D114-F144 WeakPolarHBondContact O-CZ 3.28Å; Y115-F144 HydrophobicContact CD2-CB 3.83Å; Y115-F144 HydrophobicContact CD2-CD1 4.26Å; Y115-F144 AromaticContact CD2-CD2 3.58Å; Y115-F144 HydrophobicContact CD2-CD2 3.58Å; Y115-F144 HydrophobicContact CD2-CE2 4.23Å; Y115-F144 AromaticContact CD2-CG 3.61Å; Y115-F144 HydrophobicContact CD2-CG 3.61Å; Y115-F144 HydrophobicContact CE2-CB 4.08Å; Y115-F144 HydrophobicContact CE2-CD2 4.28Å; Y115-F144 HydrophobicContact CE2-CG 4.31Å; Y115-F144 HydrophobicContact CG-CD2 4.45Å; D118-F144 HydrophobicContact CB-CD2 4.45Å; D118-F144 HydrophobicContact CB-CE2 3.83Å; F142-F144 HydrophobicContact CB-CE2 3.73Å; F142-F144 HydrophobicContact CB-CZ 3.84Å; F144-N376 HydrophobicContact CD2-CB 4.11Å; F144-N376 PolarHBondContact N-OD1 3.23Å; F144-K411 PolarHBondContact O-NZ 2.93Å
145D91.1Very high87.8Confident42 Ų4256.3 Ų56.323%0.22527%0.274CS..  trans-56.5138.4176.4-168.526.2000110.4S5 V7 K147S5-D145 PolarHBondContact O-N 2.99Å; V7-D145 HydrophobicContact CG1-CB 3.64Å; D145-K147 WeakPolarHBondContact OD2-CE 3.1Å; D145-K147 IonicContact OD2-NZ 2.69Å
146Y92.4Very high87.7Confident15 Ų1554.8 Ų54.86%0.05927%0.267CS..  trans-117.1122.9177.4173.1-101.5000108.7P148 D380 L383 D384 W387Y146-P148 HydrophobicContact CD1-CG 4.41Å; Y146-P148 HydrophobicContact CE1-CB 4.26Å; Y146-P148 HydrophobicContact CE1-CG 3.72Å; Y146-D380 HydrophobicContact CD2-CB 4.13Å; Y146-D380 WeakPolarHBondContact CD2-OD1 3.43Å; Y146-D380 HydrophobicContact CE2-CB 4.4Å; Y146-L383 HydrophobicContact CD1-CB 4.49Å; Y146-L383 HydrophobicContact CD1-CD1 3.84Å; Y146-L383 HydrophobicContact CD2-CB 4.39Å; Y146-L383 HydrophobicContact CD2-CD1 4.15Å; Y146-L383 HydrophobicContact CE1-CB 3.8Å; Y146-L383 HydrophobicContact CE1-CD1 3.95Å; Y146-L383 HydrophobicContact CE1-CG 4.41Å; Y146-L383 HydrophobicContact CE2-CB 3.69Å; Y146-L383 HydrophobicContact CE2-CD1 4.27Å; Y146-L383 HydrophobicContact CG-CD1 3.95Å; Y146-L383 VanDerWaalsContact OH-C 3.22Å; Y146-L383 WeakPolarHBondContact OH-CB 3.39Å; Y146-L383 PolarHBondContact OH-O 3.17Å; Y146-D384 WeakPolarHBondContact CE2-OD1 3.37Å; Y146-D384 PolarHBondContact OH-N 3.22Å; Y146-D384 PolarHBondContact OH-OD1 2.93Å; Y146-W387 AromaticContact CE1-CD1 3.8Å; Y146-W387 AromaticContact CE1-NE1 3.85Å; Y146-W387 AromaticContact CZ-CD1 3.92Å
147K87.9Confident87.7Confident143 Ų14358.1 Ų58.162%0.62229%0.285SS*.  trans-117.3113.4174.7-66.3-176.3-175.4178.50107.2D145 L149D145-K147 WeakPolarHBondContact OD2-CE 3.1Å; D145-K147 IonicContact OD2-NZ 2.69Å; K147-L149 PolarHBondContact O-N 2.94Å
148P84.5Confident87.5Confident61 Ų6164.3 Ų64.340%0.39631%0.309SS..PPolyproline II helixtrans-51.3139.6175-22.228.5000111Y146 W387Y146-P148 HydrophobicContact CD1-CG 4.41Å; Y146-P148 HydrophobicContact CE1-CB 4.26Å; Y146-P148 HydrophobicContact CE1-CG 3.72Å; P148-W387 HydrophobicContact CB-CB 4.26Å; P148-W387 HydrophobicContact CB-CD2 4.35Å; P148-W387 HydrophobicContact CB-CG 4.07Å; P148-W387 HydrophobicContact CG-CD2 4.34Å; P148-W387 HydrophobicContact CG-CG 4.37Å
149L81.6Confident87.4Confident96 Ų9665.5 Ų65.550%0.50332%0.315SS..PPolyproline II helixtrans-58.2140170.7-64171.7000109.9K147 T151 D384K147-L149 PolarHBondContact O-N 2.94Å; L149-T151 PolarHBondContact O-N 2.78Å; L149-D384 HydrophobicContact CD1-CB 4.03Å
150H76.6Confident87.2Confident204 Ų20470 Ų7094%0.94435%0.345SS*.PPolyproline II helixtrans-63126.4169.6-72.6-66.9000109.1
151T71.5Confident87.1Confident49 Ų4969.1 Ų69.130%0.30134%0.343SS..  trans-135.2142.1177-179.20000110.1L149 Q153L149-T151 PolarHBondContact O-N 2.78Å; T151-Q153 WeakPolarHBondContact OG1-CB 3.34Å; T151-Q153 PolarHBondContact OG1-N 3Å; T151-Q153 VanDerWaalsContact OG1-N 3.11Å
152D70.1Confident86.8Confident181 Ų18171.5 Ų71.597%0.96836%0.358SS*.SBendtrans-78-10.2171-65.1-32.5000111.7
153Q69.4Low86.7Confident67 Ų6773.4 Ų73.431%0.31337%0.371SS..SBendtrans-77151.4177.7-58.3-161.4-8.600111T151 T155 Y328 S388T151-Q153 WeakPolarHBondContact OG1-CB 3.34Å; T151-Q153 PolarHBondContact OG1-N 3Å; T151-Q153 VanDerWaalsContact OG1-N 3.11Å; Q153-T155 PolarHBondContact O-N 3.09Å; Q153-Y328 VanDerWaalsContact CD-OH 3.29Å; Q153-Y328 PolarHBondContact NE2-OH 3.44Å; Q153-Y328 PolarHBondContact OE1-OH 3.17Å; Q153-S388 PolarHBondContact OE1-O 3.09Å
154R73.8Confident86.6Confident188 Ų18873.5 Ų73.571%0.70937%0.371SS*.PPolyproline II helixtrans-62.9137.6172.1-70.1-176.9-176.3-175.41.9109.4G391 P392R154-G391 CarbonylContact O-C 3.54Å; R154-G391 WeakPolarHBondContact O-CA 3.47Å; R154-P392 HydrophobicContact CB-CB 4.29Å; R154-P392 HydrophobicContact CB-CG 4.26Å
155T86.1Confident86.3Confident69 Ų6975.7 Ų75.742%0.42338%0.383SS..PPolyproline II helixtrans-82.2163.5179.256.90000111.9Q153 W387 G391 P392Q153-T155 PolarHBondContact O-N 3.09Å; T155-W387 HydrophobicContact CG2-CE3 4.02Å; T155-W387 HydrophobicContact CG2-CZ3 4.21Å; T155-G391 CarbonylContact C-O 3.31Å; T155-G391 VanDerWaalsContact C-O 3.31Å; T155-G391 CarbonylContact O-C 3.58Å; T155-P392 WeakPolarHBondContact O-CA 3.42Å
156P93.5Very high85.4Confident2 Ų276.9 Ų76.91%0.01339%0.394CS..PPolyproline II helixtrans-46.5149.8167.7-26.730.6000113.5I386 W387 A390 G391 R393 F414 L415P156-I386 HydrophobicContact CG-CG2 3.84Å; P156-W387 HydrophobicContact CG-CE3 4.24Å; P156-W387 HydrophobicContact CG-CZ3 4.42Å; P156-A390 HydrophobicContact CG-CB 4.05Å; P156-G391 VanDerWaalsContact CA-O 3.25Å; P156-G391 WeakPolarHBondContact CA-O 3.39Å; P156-R393 WeakPolarHBondContact CA-O 3.44Å; P156-F414 HydrophobicContact CB-CE1 4.49Å; P156-F414 WeakPolarHBondContact O-CE1 3.46Å; P156-L415 HydrophobicContact CB-CD2 3.94Å; P156-L415 HydrophobicContact CG-CD2 4.43Å
157L95.1Very high84.3Confident71 Ų7180 Ų8037%0.37242%0.419SS..BIsolated β-bridgetrans-83.7147.2171.9-63.2175.9000110.7P392 R393 Y394 F414L157-P392 VanDerWaalsContact CD1-O 3.26Å; L157-P392 WeakPolarHBondContact CD1-O 3.12Å; L157-P392 HydrophobicContact CD2-CB 4.18Å; L157-P392 HydrophobicContact CG-CB 4.2Å; L157-R393 PolarHBondContact N-O 3.22Å; L157-Y394 HydrophobicContact CB-CD1 3.54Å; L157-Y394 HydrophobicContact CB-CE1 3.42Å; L157-Y394 VanDerWaalsContact CB-CE1 3.42Å; L157-Y394 HydrophobicContact CB-CG 4.45Å; L157-Y394 HydrophobicContact CD1-CE1 4.1Å; L157-Y394 HydrophobicContact CG-CE1 4.42Å; L157-F414 VanDerWaalsContact C-CE1 3.48Å
158Y93.9Very high83.3Confident131 Ų13178.8 Ų78.851%0.51442%0.416SS..PPolyproline II helixtrans-72.3129.1175.1179.7-102.1000110.3C160 Y394 F414Y158-C160 HydrophobicContact CE1-CB 4.09Å; Y158-Y394 VanDerWaalsContact O-CE1 3.26Å; Y158-Y394 WeakPolarHBondContact O-CE1 3.18Å; Y158-F414 HydrophobicContact CD2-CD1 4.5Å; Y158-F414 AromaticContact CD2-CD2 3.97Å; Y158-F414 HydrophobicContact CD2-CD2 3.97Å; Y158-F414 HydrophobicContact CD2-CE2 4.13Å; Y158-F414 HydrophobicContact CD2-CG 4.18Å; Y158-F414 HydrophobicContact CD2-CZ 4.48Å; Y158-F414 WeakPolarHBondContact CD2-O 3.49Å; Y158-F414 HydrophobicContact CG-CE2 4.37Å; Y158-F414 VanDerWaalsContact N-CZ 3.28Å
159L92.9Very high82Confident25 Ų2583.7 Ų83.713%0.13143%0.434CS..  trans-115.7120.2176.1-177.661.4000110.1L161 M215 Y394 I396 P416L159-L161 HydrophobicContact CD2-CD2 3.58Å; L159-L161 HydrophobicContact CD2-CG 4.35Å; L159-L161 HydrophobicContact CG-CD2 3.94Å; L159-L161 HydrophobicContact CG-CG 4.41Å; L159-M215 HydrophobicContact CD2-CE 4.11Å; L159-Y394 HydrophobicContact CB-CD1 3.71Å; L159-Y394 HydrophobicContact CB-CE1 4.43Å; L159-Y394 HydrophobicContact CB-CG 4.16Å; L159-Y394 HydrophobicContact CD1-CD1 4.11Å; L159-Y394 HydrophobicContact CD1-CD2 4.5Å; L159-Y394 HydrophobicContact CD1-CE1 4.38Å; L159-Y394 HydrophobicContact CD1-CG 4.17Å; L159-Y394 HydrophobicContact CD2-CG 4.44Å; L159-Y394 HydrophobicContact CG-CD1 4.4Å; L159-Y394 HydrophobicContact CG-CG 4.49Å; L159-I396 HydrophobicContact CD2-CD1 3.96Å; L159-I396 HydrophobicContact CD2-CG1 3.87Å; L159-P416 HydrophobicContact CB-CG 4.24Å; L159-P416 WeakPolarHBondContact O-CG 3.44Å
160C92.2Very high80.7Confident94 Ų9487.1 Ų87.164%0.63545%0.447SS*.  trans-90.2111.9166.7-1690000108.7Y158Y158-C160 HydrophobicContact CE1-CB 4.09Å
161L93.9Very high79.2Confident13 Ų1384.3 Ų84.37%0.06844%0.439CS..PPolyproline II helixtrans-80126.4176.2-65.7176.2000109.9L159 M177 I396 P416 L418 N453 S486 F488 T509L159-L161 HydrophobicContact CD2-CD2 3.58Å; L159-L161 HydrophobicContact CD2-CG 4.35Å; L159-L161 HydrophobicContact CG-CD2 3.94Å; L159-L161 HydrophobicContact CG-CG 4.41Å; L161-M177 HydrophobicContact CD2-CE 3.94Å; L161-I396 HydrophobicContact CD1-CD1 4.17Å; L161-I396 HydrophobicContact CD1-CG1 4.47Å; L161-I396 HydrophobicContact CD2-CD1 3.8Å; L161-I396 HydrophobicContact CD2-CG1 4.49Å; L161-P416 HydrophobicContact CD1-CB 3.51Å; L161-P416 HydrophobicContact CD1-CG 4Å; L161-P416 HydrophobicContact CG-CB 4.07Å; L161-P416 HydrophobicContact CG-CG 4Å; L161-L418 HydrophobicContact CD1-CD1 4.43Å; L161-L418 HydrophobicContact CD1-CD2 3.84Å; L161-L418 HydrophobicContact CD1-CG 4.48Å; L161-N453 HydrophobicContact CD1-CB 4.49Å; L161-S486 WeakPolarHBondContact CB-OG 3.25Å; L161-S486 PolarHBondContact O-OG 3.2Å; L161-F488 HydrophobicContact CD1-CE2 4.15Å; L161-F488 HydrophobicContact CD2-CE2 4.3Å; L161-F488 HydrophobicContact CD2-CZ 4.12Å; L161-T509 HydrophobicContact CB-CG2 4.41Å; L161-T509 HydrophobicContact CD2-CG2 4.27Å
162P91.6Very high78.1Confident50 Ų5083.6 Ų83.633%0.32544%0.439SS..PPolyproline II helixtrans-67.4131.5175.326.5-33.3000109.8Q175 S486 T509P162-Q175 HydrophobicContact CG-CG 4.41Å; P162-S486 VanDerWaalsContact C-OG 3.3Å; P162-S486 PolarHBondContact O-OG 2.93Å; P162-T509 HydrophobicContact CG-CG2 4.18Å; P162-T509 PolarHBondContact O-OG1 2.88Å
163P93.7Very high77.2Confident41 Ų4182 Ų8227%0.26644%0.436SS..PPolyproline II helixtrans-68161.6172.830.8-35.2000110.4N165 L485P163-N165 PolarHBondContact O-N 3.07Å; P163-L485 WeakPolarHBondContact CA-O 3.37Å
164V93.6Very high77.1Confident1 Ų183.1 Ų83.11%0.00645%0.451CS..PPolyproline II helixtrans-60.7133.1167.91760000108.7L480 E481 L485 C487 L508V164-L480 HydrophobicContact CB-CB 3.92Å; V164-L480 HydrophobicContact CG1-CB 4.36Å; V164-L480 HydrophobicContact CG2-CB 4.16Å; V164-L480 HydrophobicContact CG2-CD1 4.11Å; V164-E481 WeakPolarHBondContact O-CA 3.24Å; V164-E481 WeakPolarHBondContact O-CB 3.43Å; V164-L485 PolarHBondContact N-O 3.01Å; V164-C487 HydrophobicContact CG2-CB 3.5Å; V164-L508 HydrophobicContact CG2-CD2 4.1Å
165N87.1Confident77.2Confident46 Ų4675.5 Ų75.525%0.24642%0.423CS..  trans-134.2102.4178.9-176.7-43.8000108.8P163 S167 M168 E481 N507P163-N165 PolarHBondContact O-N 3.07Å; N165-S167 PolarHBondContact O-N 2.98Å; N165-S167 WeakPolarHBondContact OD1-CA 3.35Å; N165-S167 PolarHBondContact OD1-N 3.41Å; N165-S167 PolarHBondContact OD1-OG 2.96Å; N165-M168 HydrophobicContact CB-CB 4.41Å; N165-M168 HydrophobicContact CB-CG 4.31Å; N165-M168 WeakPolarHBondContact OD1-CG 3.01Å; N165-M168 PolarHBondContact OD1-N 3.36Å; N165-E481 PolarHBondContact OD1-OE1 3.39Å; N165-N507 WeakPolarHBondContact O-CB 3.24Å; N165-N507 PolarHBondContact O-ND2 3.11Å
166S72.7Confident77.5Confident67 Ų6772.3 Ų72.347%0.46940%0.404SS..THydrogen-bonded Turntrans-76.2-14.7-177.973.10000113.1E481S166-E481 VanDerWaalsContact CB-OE2 3.3Å; S166-E481 WeakPolarHBondContact CB-OE2 3.3Å; S166-E481 PolarHBondContact N-OE2 3.16Å; S166-E481 PolarHBondContact OG-OE2 3.46Å
167S68.3Low77.5Confident82 Ų8274.1 Ų74.157%0.57341%0.413SS*.THydrogen-bonded Turntrans-89.8-15.7-177.261.60000114.8N165 H169 E481N165-S167 PolarHBondContact O-N 2.98Å; N165-S167 WeakPolarHBondContact OD1-CA 3.35Å; N165-S167 PolarHBondContact OD1-N 3.41Å; N165-S167 PolarHBondContact OD1-OG 2.96Å; S167-H169 PolarHBondContact O-N 3.01Å; S167-E481 PolarHBondContact OG-OE1 3.08Å
168M67.4Low77.6Confident116 Ų11671.7 Ų71.757%0.57140%0.4SS*.  trans-77.5104.4176-83.4-103.4173.900111.4N165 Q170 N507N165-M168 HydrophobicContact CB-CB 4.41Å; N165-M168 HydrophobicContact CB-CG 4.31Å; N165-M168 WeakPolarHBondContact OD1-CG 3.01Å; N165-M168 PolarHBondContact OD1-N 3.36Å; M168-Q170 PolarHBondContact O-N 2.97Å; M168-N507 PolarHBondContact O-ND2 3.07Å
169H57.7Low77.7Confident164 Ų16465.5 Ų65.576%0.75938%0.375SS*.  trans-76.9111170.5-71.1-60.7000111.5S167 N171S167-H169 PolarHBondContact O-N 3.01Å; H169-N171 PolarHBondContact O-N 2.96Å
170Q53Low77.9Confident168 Ų16864.3 Ų64.379%0.78537%0.369SS*.SBendtrans59.74.2152.6-67.9-173.3-4.300121.7M168M168-Q170 PolarHBondContact O-N 2.97Å
171N45.5Very low78.1Confident145 Ų14561.1 Ų61.178%0.77535%0.345SS*.  trans-102.32.7-175.7-75.8-15.1000116.9H169 T173H169-N171 PolarHBondContact O-N 2.96Å; N171-T173 PolarHBondContact O-N 2.64Å
172A48.1Very low78.1Confident35 Ų3560.5 Ų60.529%0.28934%0.342SS..  trans-84.692.6173.300000110.2S174 Q175A172-S174 PolarHBondContact O-N 2.88Å; A172-Q175 HydrophobicContact CB-CB 4.4Å
173T52.5Low78.2Confident147 Ų14758.1 Ų58.190%0.90233%0.326SS*.THydrogen-bonded Turntrans-66.3-3.5-175.951.40000114.9N171N171-T173 PolarHBondContact O-N 2.64Å
174S67.5Low78.1Confident91 Ų9156.4 Ų56.464%0.63632%0.315SS*.THydrogen-bonded Turntrans-125.711.9-173.564.90000115.1A172A172-S174 PolarHBondContact O-N 2.88Å
175Q75.2Confident77.3Confident28 Ų2856.5 Ų56.513%0.13132%0.317CS..  trans-119.1143.2177.7-70.4-176.9-78.100112.6P162 A172 S504P162-Q175 HydrophobicContact CG-CG 4.41Å; A172-Q175 HydrophobicContact CB-CB 4.4Å; Q175-S504 PolarHBondContact O-OG 2.82Å; Q175-S504 VanDerWaalsContact O-OG 3.07Å
176P92.2Very high76.4Confident2 Ų256.8 Ų56.81%0.01332%0.32CS..SBendcis-75.3153.4-3.632.9-35.3000111.5I178 Y500 A503 L508 V511P176-I178 PolarHBondContact O-N 3.45Å; P176-Y500 HydrophobicContact CG-CD2 3.82Å; P176-Y500 HydrophobicContact CG-CE2 3.53Å; P176-Y500 PolarHBondContact O-OH 3.14Å; P176-A503 HydrophobicContact CG-CB 3.99Å; P176-L508 WeakPolarHBondContact CA-O 3.38Å; P176-L508 WeakPolarHBondContact CB-O 3.4Å; P176-V511 HydrophobicContact CB-CG1 4.02Å; P176-V511 HydrophobicContact CG-CG1 3.75Å; P176-V511 HydrophobicContact CG-CG2 4.34Å
177M94.5Very high75.9Confident40 Ų4056.5 Ų56.520%0.19731%0.31CS..EExtended strand (participates in β ladder)trans-62.5133.5168.6-66.9-174.9-66.900109.8L161 M215 F488 T509 G510 V511L161-M177 HydrophobicContact CD2-CE 3.94Å; M177-M215 HydrophobicContact SD-CE 4.29Å; M177-F488 HydrophobicContact CE-CE1 3.69Å; M177-F488 HydrophobicContact CE-CE2 4.41Å; M177-F488 HydrophobicContact CE-CZ 3.32Å; M177-T509 HydrophobicContact CE-CG2 3.98Å; M177-T509 PolarHBondContact N-O 3.01Å; M177-G510 CarbonylContact O-C 3.56Å; M177-G510 WeakPolarHBondContact O-CA 3.28Å; M177-V511 PolarHBondContact O-N 3.35Å
178I95.9Very high75.3Confident20 Ų2060.1 Ų60.110%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-83.3121.5170.7-60.2163.2000107.1P176 V213 Y500 V511 V513 L516 F519 M520 Y523P176-I178 PolarHBondContact O-N 3.45Å; I178-V213 HydrophobicContact CG2-CG2 4.15Å; I178-V213 WeakPolarHBondContact O-CG1 3.32Å; I178-Y500 HydrophobicContact CD1-CE2 4.01Å; I178-Y500 HydrophobicContact CG1-CD2 4.33Å; I178-Y500 HydrophobicContact CG1-CE2 3.53Å; I178-V511 HydrophobicContact CG1-CG2 4.46Å; I178-V513 HydrophobicContact CG2-CG2 4.16Å; I178-L516 HydrophobicContact CG2-CD1 3.78Å; I178-F519 HydrophobicContact CD1-CE1 3.82Å; I178-F519 HydrophobicContact CG1-CE1 4.03Å; I178-F519 HydrophobicContact CG2-CD1 4.33Å; I178-F519 HydrophobicContact CG2-CE1 4.16Å; I178-M520 HydrophobicContact CD1-SD 3.89Å; I178-M520 HydrophobicContact CG2-SD 4Å; I178-Y523 HydrophobicContact CD1-CD1 4.39Å; I178-Y523 HydrophobicContact CD1-CD2 3.81Å; I178-Y523 HydrophobicContact CD1-CE1 4.32Å; I178-Y523 HydrophobicContact CD1-CE2 3.71Å; I178-Y523 HydrophobicContact CD1-CG 4.15Å
179V97.2Very high74.4Confident0 Ų055.7 Ų55.70%029%0.293CS..EExtended strand (participates in β ladder)trans-116.9127.3179.3-1760000108.4M215 E217 F488 V511 I512 V513V179-M215 WeakPolarHBondContact CA-O 3.44Å; V179-M215 HydrophobicContact CG1-CB 4.48Å; V179-M215 HydrophobicContact CG1-CG 4.11Å; V179-M215 HydrophobicContact CG2-CB 4.21Å; V179-M215 HydrophobicContact CG2-CG 4.16Å; V179-M215 HydrophobicContact CG2-SD 4.08Å; V179-E217 HydrophobicContact CG1-CB 3.88Å; V179-F488 HydrophobicContact CG2-CD1 4.18Å; V179-F488 HydrophobicContact CG2-CE1 3.94Å; V179-V511 WeakPolarHBondContact CB-O 3.02Å; V179-V511 PolarHBondContact N-O 3.5Å; V179-I512 HydrophobicContact CB-CG1 4.04Å; V179-I512 HydrophobicContact CG1-CG1 4.22Å; V179-I512 CarbonylContact O-C 3.51Å; V179-I512 WeakPolarHBondContact O-CA 3.42Å; V179-V513 PolarHBondContact O-N 2.56Å
180G96.6Very high74.3Confident0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-78.4119.4175.200000111.8A182 G183 M215 V216 E217G180-A182 PolarHBondContact O-N 2.88Å; G180-G183 CarbonylContact C-O 3.55Å; G180-G183 WeakPolarHBondContact CA-O 3.32Å; G180-G183 PolarHBondContact O-N 2.69Å; G180-M215 PolarHBondContact N-O 3.29Å; G180-V216 CarbonylContact O-C 3.45Å; G180-V216 WeakPolarHBondContact O-CA 3.25Å; G180-E217 PolarHBondContact O-N 3.05Å
181H95Very high74.1Confident27 Ų2747 Ų4713%0.12525%0.249CC..THydrogen-bonded Turntrans-70124.1179.6-162.8174.4000110.2G183 G185 V186 E217 I512 V513 D514H181-G183 PolarHBondContact O-N 3.14Å; H181-G185 CarbonylContact O-C 3.53Å; H181-G185 VanDerWaalsContact O-C 3.27Å; H181-G185 WeakPolarHBondContact O-CA 3.33Å; H181-G185 PolarHBondContact O-N 3.3Å; H181-G185 VanDerWaalsContact O-N 3.08Å; H181-V186 HydrophobicContact CB-CG2 3.98Å; H181-V186 VanDerWaalsContact CE1-CG2 3.49Å; H181-V186 WeakPolarHBondContact CE1-CG2 3.25Å; H181-V186 VanDerWaalsContact CG-CG2 3.4Å; H181-V186 WeakPolarHBondContact ND1-CG2 3.32Å; H181-E217 IonicContact CD2-OE2 2.88Å; H181-E217 PolarHBondContact CD2-OE2 3.47Å; H181-E217 IonicContact NE2-OE2 3.89Å; H181-I512 HydrophobicContact CB-CG2 3.56Å; H181-V513 WeakPolarHBondContact CB-O 3.37Å; H181-V513 PolarHBondContact N-O 3.2Å; H181-D514 IonicContact CE1-OD1 2.96Å; H181-D514 IonicContact CG-OD1 2.86Å; H181-D514 IonicContact ND1-OD1 2.72Å; H181-D514 PolarHBondContact ND1-OD1 2.85Å
182A94.4Very high73.8Confident1 Ų142.7 Ų42.71%0.00824%0.239CC..THydrogen-bonded Turntrans49.932.2-176.200000113.5G180 V186 E199 N200 E217G180-A182 PolarHBondContact O-N 2.88Å; A182-V186 HydrophobicContact CB-CG2 4.19Å; A182-E199 HydrophobicContact CB-CB 3.77Å; A182-N200 PolarHBondContact O-N 3.28Å; A182-E217 WeakPolarHBondContact CA-O 3.36Å; A182-E217 PolarHBondContact N-O 2.89Å; A182-E217 PolarHBondContact N-OE2 2.87Å
183G94.5Very high73.5Confident0 Ų050.7 Ų50.70%027%0.267CS..THydrogen-bonded Turntrans99.6-122-171.400000113.2G180 H181 G185 F205 E217G180-G183 CarbonylContact C-O 3.55Å; G180-G183 WeakPolarHBondContact CA-O 3.32Å; G180-G183 PolarHBondContact O-N 2.69Å; H181-G183 PolarHBondContact O-N 3.14Å; G183-G185 PolarHBondContact O-N 3.05Å; G183-F205 VanDerWaalsContact CA-CD1 3.47Å; G183-E217 PolarHBondContact N-O 2.84Å
184A91.7Very high73.4Confident4 Ų445.5 Ų45.53%0.03324%0.243CC..THydrogen-bonded Turntrans-84.913-178.800000113.9W197 A204 R207 L516A184-W197 HydrophobicContact CB-CB 4.02Å; A184-W197 HydrophobicContact CB-CD2 4.15Å; A184-W197 HydrophobicContact CB-CG 3.7Å; A184-A204 WeakPolarHBondContact CB-O 3.31Å; A184-A204 PolarHBondContact N-O 2.92Å; A184-R207 HydrophobicContact CB-CB 3.78Å; A184-R207 HydrophobicContact CB-CG 3.73Å; A184-L516 HydrophobicContact CB-CD2 4.46Å; A184-L516 WeakPolarHBondContact O-CB 3.29Å; A184-L516 PolarHBondContact O-N 2.9Å
185G76.9Confident72.7Confident3 Ų347 Ų473%0.03125%0.25CS..  trans133.8159.3176.100000115.6H181 G183 K187 D514H181-G185 CarbonylContact O-C 3.53Å; H181-G185 VanDerWaalsContact O-C 3.27Å; H181-G185 WeakPolarHBondContact O-CA 3.33Å; H181-G185 PolarHBondContact O-N 3.3Å; H181-G185 VanDerWaalsContact O-N 3.08Å; G183-G185 PolarHBondContact O-N 3.05Å; G185-K187 PolarHBondContact O-N 2.8Å; G185-D514 CarbonylContact C-O 3.51Å; G185-D514 WeakPolarHBondContact CA-O 3.09Å
186V68.5Low72.6Confident53 Ų5348.7 Ų48.732%0.32126%0.258SS..  trans-90.396.4173.9-1790000109H181 A182 D514H181-V186 HydrophobicContact CB-CG2 3.98Å; H181-V186 VanDerWaalsContact CE1-CG2 3.49Å; H181-V186 WeakPolarHBondContact CE1-CG2 3.25Å; H181-V186 VanDerWaalsContact CG-CG2 3.4Å; H181-V186 WeakPolarHBondContact ND1-CG2 3.32Å; A182-V186 HydrophobicContact CB-CG2 4.19Å; V186-D514 PolarHBondContact N-O 2.69Å
187K61.2Low72.2Confident61 Ų6149.6 Ų49.627%0.26526%0.261SS..BIsolated β-bridgetrans-141.9143.3167.4-66.6-169.5-173.1178.30109.6G185 A189 E196 E518G185-K187 PolarHBondContact O-N 2.8Å; K187-A189 PolarHBondContact O-N 3.27Å; K187-E196 HydrophobicContact CB-CB 3.78Å; K187-E196 HydrophobicContact CB-CG 4.02Å; K187-E196 HydrophobicContact CD-CB 4.25Å; K187-E196 HydrophobicContact CD-CG 3.7Å; K187-E196 HydrophobicContact CG-CG 4.48Å; K187-E518 IonicContact NZ-OE1 3.84Å; K187-E518 PolarHBondContact NZ-OE1 2.95Å
188R55.7Low71.8Confident158 Ų15847.8 Ų47.860%0.59625%0.253SS*.  trans-73.557.6-170.3-56.6179179.2160.41.8112.5H190 Y191 H256R188-H190 PolarHBondContact O-N 3.39Å; R188-H190 VanDerWaalsContact O-N 3.17Å; R188-Y191 HydrophobicContact CB-CD2 3.67Å; R188-Y191 HydrophobicContact CB-CE2 3.89Å; R188-Y191 HydrophobicContact CG-CE2 4.45Å; R188-Y191 WeakPolarHBondContact O-CD2 3.48Å; R188-Y191 PolarHBondContact O-N 3.37Å; R188-H256 HydrophobicContact CG-CB 4.25Å
189A49.4Very low71.4Confident23 Ų2348 Ų4819%0.1925%0.253CS..G310 helixtrans-70-15.7-169.500000114.5K187 Y191 G192 E196 P198K187-A189 PolarHBondContact O-N 3.27Å; A189-Y191 PolarHBondContact O-N 3.39Å; A189-G192 PolarHBondContact O-N 3.34Å; A189-G192 VanDerWaalsContact O-N 3.09Å; A189-E196 HydrophobicContact CB-CB 4Å; A189-E196 WeakPolarHBondContact CB-O 3.47Å; A189-P198 HydrophobicContact CB-CB 3.96Å; A189-P198 HydrophobicContact CB-CG 4.45Å
190H53.8Low71.2Confident41 Ų4148.1 Ų48.119%0.1925%0.254CS..G310 helixtrans-67.3-6.9176.2-65.7-70.2000113.9R188 P198 H256R188-H190 PolarHBondContact O-N 3.39Å; R188-H190 VanDerWaalsContact O-N 3.17Å; H190-P198 WeakPolarHBondContact NE2-CB 3.35Å; H190-H256 AromaticContact CD2-CE1 3.44Å; H190-H256 PolarHBondContact CD2-CE1 2.92Å; H190-H256 VanDerWaalsContact CD2-CE1 3.44Å; H190-H256 AromaticContact CD2-NE2 3.09Å; H190-H256 PolarHBondContact CD2-NE2 3.33Å; H190-H256 AromaticContact CG-NE2 3.58Å
191Y49.4Very low71Confident108 Ų10848.1 Ų48.142%0.42425%0.254SS..G310 helixtrans-86.92.1171.4-63.6-80.1000114.6R188 A189 K193 H256R188-Y191 HydrophobicContact CB-CD2 3.67Å; R188-Y191 HydrophobicContact CB-CE2 3.89Å; R188-Y191 HydrophobicContact CG-CE2 4.45Å; R188-Y191 WeakPolarHBondContact O-CD2 3.48Å; R188-Y191 PolarHBondContact O-N 3.37Å; A189-Y191 PolarHBondContact O-N 3.39Å; Y191-K193 PolarHBondContact O-N 3.45Å; Y191-H256 HydrophobicContact CE2-CB 4.2Å; Y191-H256 AromaticContact CE2-CD2 3.95Å; Y191-H256 PolarHBondContact OH-N 3.06Å
192G40.1Very low71Confident55 Ų5547.4 Ų47.457%0.56725%0.251SS*.SBendtrans73.519.8160.700000117.7A189A189-G192 PolarHBondContact O-N 3.34Å; A189-G192 VanDerWaalsContact O-N 3.09Å
193K42.1Very low70.9Confident203 Ų20347.3 Ų47.388%0.88325%0.25SS*.  trans-143.981.2174.8-67.7-172.2-178.7178.40112.9Y191Y191-K193 PolarHBondContact O-N 3.45Å
194G49.2Very low70.9Confident37 Ų3747.3 Ų47.338%0.38125%0.25SS..SBendtrans168.3159.2168.900000111.4E196G194-E196 PolarHBondContact O-N 3.08Å
195P54Low71.1Confident123 Ų12347.1 Ų47.180%0.79925%0.249SC*.SBendtrans-7230.2171.134.5-36.6000111.8
196E71.5Confident72.1Confident64 Ų6448.3 Ų48.330%0.29925%0.252SS..PPolyproline II helixtrans-90.4138.1-166.7-61.9-173.2162.200109.7K187 A189 G194K187-E196 HydrophobicContact CB-CB 3.78Å; K187-E196 HydrophobicContact CB-CG 4.02Å; K187-E196 HydrophobicContact CD-CB 4.25Å; K187-E196 HydrophobicContact CD-CG 3.7Å; K187-E196 HydrophobicContact CG-CG 4.48Å; A189-E196 HydrophobicContact CB-CB 4Å; A189-E196 WeakPolarHBondContact CB-O 3.47Å; G194-E196 PolarHBondContact O-N 3.08Å
197W85.4Confident73.3Confident20 Ų2046.4 Ų46.48%0.07624%0.239CC..PPolyproline II helixtrans-82.1130.3179.9-66.797.3000109.9A184 E199 C203 A204 R207 I309 P310 I312 D517A184-W197 HydrophobicContact CB-CB 4.02Å; A184-W197 HydrophobicContact CB-CD2 4.15Å; A184-W197 HydrophobicContact CB-CG 3.7Å; W197-E199 PolarHBondContact O-N 3.26Å; W197-C203 HydrophobicContact CZ3-CB 4.37Å; W197-C203 WeakPolarHBondContact CZ3-O 3.33Å; W197-A204 HydrophobicContact CB-CB 4.16Å; W197-R207 HydrophobicContact CD2-CB 3.85Å; W197-R207 HydrophobicContact CD2-CG 3.9Å; W197-R207 HydrophobicContact CE3-CB 3.77Å; W197-R207 HydrophobicContact CE3-CG 4.31Å; W197-R207 HydrophobicContact CH2-CB 3.59Å; W197-R207 HydrophobicContact CH2-CG 3.78Å; W197-R207 HydrophobicContact CZ2-CB 3.66Å; W197-R207 HydrophobicContact CZ2-CG 3.29Å; W197-R207 HydrophobicContact CZ3-CB 3.65Å; W197-R207 HydrophobicContact CZ3-CG 4.26Å; W197-I309 HydrophobicContact CH2-CG2 3.63Å; W197-I309 HydrophobicContact CZ2-CG2 3.83Å; W197-P310 HydrophobicContact CH2-CB 4.09Å; W197-P310 HydrophobicContact CH2-CG 4.35Å; W197-P310 WeakPolarHBondContact CH2-O 3.29Å; W197-P310 HydrophobicContact CZ3-CB 3.92Å; W197-P310 HydrophobicContact CZ3-CG 4.48Å; W197-I312 HydrophobicContact CD2-CG2 4.11Å; W197-I312 HydrophobicContact CE3-CG2 3.54Å; W197-I312 HydrophobicContact CH2-CG2 4.09Å; W197-I312 HydrophobicContact CZ3-CG2 3.52Å; W197-D517 PolarHBondContact NE1-OD2 3.28Å
198P85.3Confident75Confident3 Ų343.5 Ų43.52%0.01923%0.227CC..BIsolated β-bridgetrans-71.2122.5177.221.4-22.6000110.5A189 H190 T201 A204 A317A189-P198 HydrophobicContact CB-CB 3.96Å; A189-P198 HydrophobicContact CB-CG 4.45Å; H190-P198 WeakPolarHBondContact NE2-CB 3.35Å; P198-T201 HydrophobicContact CB-CG2 3.68Å; P198-T201 HydrophobicContact CG-CG2 3.86Å; P198-T201 WeakPolarHBondContact CG-OG1 3.49Å; P198-T201 WeakPolarHBondContact O-CB 3.33Å; P198-T201 WeakPolarHBondContact O-CG2 3.33Å; P198-T201 PolarHBondContact O-N 3.49Å; P198-T201 PolarHBondContact O-OG1 2.82Å; P198-A204 VanDerWaalsContact O-CB 3.27Å; P198-A204 WeakPolarHBondContact O-CB 3.33Å; P198-A317 HydrophobicContact CG-CB 4.11Å
199E88.6Confident76.9Confident24 Ų2436.4 Ų36.411%0.11220%0.2CC..THydrogen-bonded Turntrans-53.6143.6-179.870.1-168.4-162.400111.9A182 W197 T201 H256A182-E199 HydrophobicContact CB-CB 3.77Å; W197-E199 PolarHBondContact O-N 3.26Å; E199-T201 PolarHBondContact O-N 2.73Å; E199-T201 VanDerWaalsContact O-N 3.14Å; E199-H256 IonicContact OE1-CE1 3.26Å; E199-H256 PolarHBondContact OE1-CE1 3.17Å; E199-H256 IonicContact OE1-ND1 3.92Å; E199-H256 PolarHBondContact OE1-ND1 3.25Å
200N92.8Very high79.1Confident3 Ų335.5 Ų35.52%0.01619%0.192CC..THydrogen-bonded Turntrans57.127.6176.6-73.8-59.3000114.8A182 C218 D219 L230 P321A182-N200 PolarHBondContact O-N 3.28Å; N200-C218 VanDerWaalsContact OD1-CA 3.3Å; N200-C218 WeakPolarHBondContact OD1-CA 3.22Å; N200-C218 WeakPolarHBondContact OD1-CB 3.26Å; N200-D219 PolarHBondContact ND2-OD2 3.42Å; N200-D219 PolarHBondContact OD1-N 2.85Å; N200-L230 HydrophobicContact CB-CB 4.03Å; N200-P321 WeakPolarHBondContact O-CD 3.28Å; N200-P321 WeakPolarHBondContact O-CG 3.38Å
201T92.5Very high81Confident0 Ų033.7 Ų33.70%018%0.184CC..  trans-107.2156.4176.5670000113.1P198 E199 C203 A204 F205P198-T201 HydrophobicContact CB-CG2 3.68Å; P198-T201 HydrophobicContact CG-CG2 3.86Å; P198-T201 WeakPolarHBondContact CG-OG1 3.49Å; P198-T201 WeakPolarHBondContact O-CB 3.33Å; P198-T201 WeakPolarHBondContact O-CG2 3.33Å; P198-T201 PolarHBondContact O-N 3.49Å; P198-T201 PolarHBondContact O-OG1 2.82Å; E199-T201 PolarHBondContact O-N 2.73Å; E199-T201 VanDerWaalsContact O-N 3.14Å; T201-C203 VanDerWaalsContact C-N 3.26Å; T201-C203 PolarHBondContact O-N 3.42Å; T201-C203 PolarHBondContact OG1-SG 3.48Å; T201-A204 PolarHBondContact O-N 3.2Å; T201-A204 VanDerWaalsContact O-N 3.16Å; T201-A204 WeakPolarHBondContact OG1-CB 3.48Å; T201-A204 PolarHBondContact OG1-N 2.77Å; T201-F205 WeakPolarHBondContact O-CD2 3.36Å; T201-F205 WeakPolarHBondContact O-CG 3.42Å; T201-F205 PolarHBondContact O-N 3.41Å; T201-F205 VanDerWaalsContact O-N 3.07Å
202I94Very high83.1Confident11 Ų1131.1 Ų31.16%0.05619%0.19CC..Hα-helixtrans-58.8-40.5176.4-64.7151.7000110.7A204 F205 R206 E316 P321 D325 Q329I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.08Å; I202-F205 PolarHBondContact O-N 2.98Å; I202-R206 HydrophobicContact CG2-CG 4.17Å; I202-R206 WeakPolarHBondContact O-CB 3.27Å; I202-R206 VanDerWaalsContact O-CG 3.26Å; I202-R206 WeakPolarHBondContact O-CG 3.32Å; I202-R206 PolarHBondContact O-N 3.03Å; I202-E316 HydrophobicContact CB-CB 3.99Å; I202-E316 HydrophobicContact CB-CG 4.36Å; I202-E316 HydrophobicContact CG2-CB 3.96Å; I202-E316 HydrophobicContact CG2-CG 3.85Å; I202-E316 PolarHBondContact N-O 2.85Å; I202-E316 VanDerWaalsContact N-O 3.17Å; I202-P321 HydrophobicContact CD1-CB 4.1Å; I202-P321 HydrophobicContact CG1-CB 4.26Å; I202-D325 HydrophobicContact CD1-CB 4.49Å; I202-Q329 HydrophobicContact CG2-CB 3.7Å
203C92.7Very high85.7Confident0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-65.2-35.6-179.976.80000112.3W197 T201 R206 R207 P310 E316 A317W197-C203 HydrophobicContact CZ3-CB 4.37Å; W197-C203 WeakPolarHBondContact CZ3-O 3.33Å; T201-C203 VanDerWaalsContact C-N 3.26Å; T201-C203 PolarHBondContact O-N 3.42Å; T201-C203 PolarHBondContact OG1-SG 3.48Å; C203-R206 PolarHBondContact O-N 3.35Å; C203-R207 PolarHBondContact O-N 2.86Å; C203-P310 HydrophobicContact CB-CB 4.13Å; C203-E316 HydrophobicContact CB-CB 3.8Å; C203-E316 PolarHBondContact N-O 3.27Å; C203-A317 HydrophobicContact CB-CB 4.47Å
204A94.4Very high88.2Confident0 Ų023.3 Ų23.30%015%0.148CC..Hα-helixtrans-68.8-41.1175.500000111.3A184 W197 P198 T201 I202 R207 A208A184-A204 WeakPolarHBondContact CB-O 3.31Å; A184-A204 PolarHBondContact N-O 2.92Å; W197-A204 HydrophobicContact CB-CB 4.16Å; P198-A204 VanDerWaalsContact O-CB 3.27Å; P198-A204 WeakPolarHBondContact O-CB 3.33Å; T201-A204 PolarHBondContact O-N 3.2Å; T201-A204 VanDerWaalsContact O-N 3.16Å; T201-A204 WeakPolarHBondContact OG1-CB 3.48Å; T201-A204 PolarHBondContact OG1-N 2.77Å; I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.08Å; A204-R207 PolarHBondContact O-N 3.36Å; A204-A208 PolarHBondContact O-N 2.92Å
205F96.9Very high90.5Very high0 Ų021.7 Ų21.70%013%0.131CC..Hα-helixtrans-63-42.7173-56.1-40.3000112.1G183 T201 I202 R207 A208 E209 V216 C218 L230 A326 T330 L334 F336G183-F205 VanDerWaalsContact CA-CD1 3.47Å; T201-F205 WeakPolarHBondContact O-CD2 3.36Å; T201-F205 WeakPolarHBondContact O-CG 3.42Å; T201-F205 PolarHBondContact O-N 3.41Å; T201-F205 VanDerWaalsContact O-N 3.07Å; I202-F205 PolarHBondContact O-N 2.98Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.07Å; F205-A208 WeakPolarHBondContact O-CB 3.33Å; F205-A208 PolarHBondContact O-N 3.47Å; F205-E209 PolarHBondContact O-N 3.36Å; F205-V216 HydrophobicContact CD1-CB 4.07Å; F205-V216 HydrophobicContact CD1-CG1 4.22Å; F205-V216 HydrophobicContact CD1-CG2 3.77Å; F205-V216 HydrophobicContact CE1-CB 4.46Å; F205-V216 HydrophobicContact CE1-CG2 4.21Å; F205-V216 HydrophobicContact CG-CG2 4.48Å; F205-C218 HydrophobicContact CE1-CB 4Å; F205-C218 HydrophobicContact CZ-CB 3.78Å; F205-L230 HydrophobicContact CE2-CD1 3.52Å; F205-L230 HydrophobicContact CZ-CD1 3.76Å; F205-A326 HydrophobicContact CD2-CB 3.95Å; F205-A326 HydrophobicContact CE2-CB 3.84Å; F205-T330 HydrophobicContact CB-CG2 3.79Å; F205-L334 HydrophobicContact CB-CD2 3.96Å; F205-F336 HydrophobicContact CD1-CE1 4.33Å; F205-F336 HydrophobicContact CD2-CE1 4.2Å; F205-F336 HydrophobicContact CD2-CZ 4.41Å; F205-F336 HydrophobicContact CE1-CE1 4.38Å; F205-F336 HydrophobicContact CE2-CE1 4.26Å; F205-F336 HydrophobicContact CG-CE1 4.27Å; F205-F336 HydrophobicContact CG-CZ 4.39Å; F205-F336 HydrophobicContact CZ-CE1 4.36Å
206R96.1Very high92.6Very high27 Ų2715.9 Ų15.910%0.1029%0.093CC..Hα-helixtrans-65-34.8176.4-70.8-65.2-85177.1-1.7112.1I202 C203 E209 Q210 S301 L303 P310 Q329 T330I202-R206 HydrophobicContact CG2-CG 4.17Å; I202-R206 WeakPolarHBondContact O-CB 3.27Å; I202-R206 VanDerWaalsContact O-CG 3.26Å; I202-R206 WeakPolarHBondContact O-CG 3.32Å; I202-R206 PolarHBondContact O-N 3.03Å; C203-R206 PolarHBondContact O-N 3.35Å; R206-E209 IonicContact CZ-OE2 3.42Å; R206-E209 VanDerWaalsContact CZ-OE2 3.24Å; R206-E209 IonicContact NE-OE2 3.61Å; R206-E209 VanDerWaalsContact NH1-CD 3.33Å; R206-E209 IonicContact NH1-OE1 3.24Å; R206-E209 PolarHBondContact NH1-OE1 3.27Å; R206-E209 IonicContact NH1-OE2 2.61Å; R206-E209 PolarHBondContact NH1-OE2 3.21Å; R206-Q210 WeakPolarHBondContact O-CB 3.23Å; R206-Q210 PolarHBondContact O-N 3.05Å; R206-S301 PolarHBondContact NH1-O 3.37Å; R206-L303 HydrophobicContact CB-CD1 3.8Å; R206-L303 HydrophobicContact CG-CD1 4.46Å; R206-L303 VanDerWaalsContact CZ-CG 3.49Å; R206-L303 WeakPolarHBondContact O-CD1 3.34Å; R206-P310 HydrophobicContact CB-CB 4.26Å; R206-P310 HydrophobicContact CB-CG 3.79Å; R206-Q329 WeakPolarHBondContact CD-O 3.44Å; R206-T330 HydrophobicContact CG-CG2 4.32Å
207R95Very high93.9Very high13 Ų1313 Ų135%0.0498%0.08CC..Hα-helixtrans-66-44.4171.8179.264.6167.31643.7112A184 W197 C203 A204 F205 E209 Q210 L211 P310 D517A184-R207 HydrophobicContact CB-CB 3.78Å; A184-R207 HydrophobicContact CB-CG 3.73Å; W197-R207 HydrophobicContact CD2-CB 3.85Å; W197-R207 HydrophobicContact CD2-CG 3.9Å; W197-R207 HydrophobicContact CE3-CB 3.77Å; W197-R207 HydrophobicContact CE3-CG 4.31Å; W197-R207 HydrophobicContact CH2-CB 3.59Å; W197-R207 HydrophobicContact CH2-CG 3.78Å; W197-R207 HydrophobicContact CZ2-CB 3.66Å; W197-R207 HydrophobicContact CZ2-CG 3.29Å; W197-R207 HydrophobicContact CZ3-CB 3.65Å; W197-R207 HydrophobicContact CZ3-CG 4.26Å; C203-R207 PolarHBondContact O-N 2.86Å; A204-R207 PolarHBondContact O-N 3.36Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.07Å; R207-E209 VanDerWaalsContact C-N 3.27Å; R207-E209 PolarHBondContact O-N 3.26Å; R207-Q210 WeakPolarHBondContact O-CB 3.25Å; R207-Q210 PolarHBondContact O-N 3.36Å; R207-Q210 VanDerWaalsContact O-N 3.11Å; R207-L211 HydrophobicContact CG-CD1 3.91Å; R207-L211 HydrophobicContact CG-CG 4.27Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 3.39Å; R207-P310 HydrophobicContact CB-CG 4.49Å; R207-D517 IonicContact CZ-OD2 2.75Å; R207-D517 IonicContact NE-OD2 3.24Å; R207-D517 PolarHBondContact NE-OD2 3.47Å; R207-D517 VanDerWaalsContact NH2-CG 3.27Å; R207-D517 IonicContact NH2-OD1 3.18Å; R207-D517 PolarHBondContact NH2-OD1 3.25Å; R207-D517 IonicContact NH2-OD2 2.99Å; R207-D517 PolarHBondContact NH2-OD2 3.1Å
208A96Very high94.5Very high0 Ų012 Ų120%08%0.076CC..Hα-helixtrans-57.1-44.6177.600000111.4A204 F205 L211 G212 V213 V216 L516A204-A208 PolarHBondContact O-N 2.92Å; F205-A208 WeakPolarHBondContact O-CB 3.33Å; F205-A208 PolarHBondContact O-N 3.47Å; A208-L211 PolarHBondContact O-N 2.89Å; A208-G212 PolarHBondContact O-N 2.77Å; A208-V213 WeakPolarHBondContact O-CB 3.35Å; A208-V213 PolarHBondContact O-N 3.23Å; A208-V213 VanDerWaalsContact O-N 3.07Å; A208-V216 HydrophobicContact CB-CG1 3.47Å; A208-V216 VanDerWaalsContact CB-CG1 3.47Å; A208-L516 HydrophobicContact CB-CD2 3.56Å
209E95.6Very high95.1Very high9 Ų912 Ų124%0.0428%0.076CC..Hα-helixtrans-60-46173.1-176.9-167.3-115.100112.2F205 R206 R207 L211 G212 P302 L303 S331 L334F205-E209 PolarHBondContact O-N 3.36Å; R206-E209 IonicContact CZ-OE2 3.42Å; R206-E209 VanDerWaalsContact CZ-OE2 3.24Å; R206-E209 IonicContact NE-OE2 3.61Å; R206-E209 VanDerWaalsContact NH1-CD 3.33Å; R206-E209 IonicContact NH1-OE1 3.24Å; R206-E209 PolarHBondContact NH1-OE1 3.27Å; R206-E209 IonicContact NH1-OE2 2.61Å; R206-E209 PolarHBondContact NH1-OE2 3.21Å; R207-E209 VanDerWaalsContact C-N 3.27Å; R207-E209 PolarHBondContact O-N 3.26Å; E209-L211 PolarHBondContact O-N 3.38Å; E209-G212 WeakPolarHBondContact O-CA 3.34Å; E209-G212 PolarHBondContact O-N 2.89Å; E209-P302 HydrophobicContact CG-CB 4.32Å; E209-L303 WeakPolarHBondContact OE2-CB 3.33Å; E209-L303 WeakPolarHBondContact OE2-CG 3.21Å; E209-L303 PolarHBondContact OE2-N 3.41Å; E209-S331 WeakPolarHBondContact OE1-CA 3.07Å; E209-S331 WeakPolarHBondContact OE1-CB 3.45Å; E209-S331 PolarHBondContact OE1-N 3.24Å; E209-L334 HydrophobicContact CB-CD1 4.33Å; E209-L334 HydrophobicContact CB-CD2 4.42Å
210Q95.8Very high95.6Very high4 Ų410.9 Ų10.92%0.0197%0.07CC..Hα-helixtrans-58.3-36.9177.2-166.8-17733.400112.7R206 R207 G212 L303 T304 M305 D307 P308 P310R206-Q210 WeakPolarHBondContact O-CB 3.23Å; R206-Q210 PolarHBondContact O-N 3.05Å; R207-Q210 WeakPolarHBondContact O-CB 3.25Å; R207-Q210 PolarHBondContact O-N 3.36Å; R207-Q210 VanDerWaalsContact O-N 3.11Å; Q210-G212 PolarHBondContact O-N 3.4Å; Q210-L303 HydrophobicContact CB-CB 3.85Å; Q210-L303 HydrophobicContact CB-CD1 4.38Å; Q210-L303 HydrophobicContact CG-CB 4.14Å; Q210-T304 WeakPolarHBondContact CG-O 3.34Å; Q210-T304 PolarHBondContact NE2-O 3Å; Q210-M305 HydrophobicContact CG-SD 4.4Å; Q210-D307 PolarHBondContact NE2-O 3.14Å; Q210-P308 PolarHBondContact NE2-O 2.82Å; Q210-P310 VanDerWaalsContact OE1-CD 3.26Å
211L94.5Very high95.7Very high4 Ų410.7 Ų10.72%0.0217%0.07CC..THydrogen-bonded Turntrans-73.9-1.5175.8-68.3168.3000113.1R207 A208 E209 M305 L516 D517 M520R207-L211 HydrophobicContact CG-CD1 3.91Å; R207-L211 HydrophobicContact CG-CG 4.27Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 3.39Å; A208-L211 PolarHBondContact O-N 2.89Å; E209-L211 PolarHBondContact O-N 3.38Å; L211-M305 HydrophobicContact CD2-SD 4.16Å; L211-L516 HydrophobicContact CD1-CD2 4.12Å; L211-L516 HydrophobicContact CD1-CG 4.12Å; L211-D517 HydrophobicContact CD1-CB 4.27Å; L211-M520 HydrophobicContact CB-CB 4.3Å; L211-M520 HydrophobicContact CB-CG 4.18Å; L211-M520 HydrophobicContact CD2-CB 4.3Å; L211-M520 VanDerWaalsContact O-CE 3.28Å; L211-M520 WeakPolarHBondContact O-CE 3.37Å
212G93.6Very high95.9Very high53 Ų5310.7 Ų10.755%0.5467%0.07SC..THydrogen-bonded Turntrans82.912178.700000114.5A208 E209 Q210A208-G212 PolarHBondContact O-N 2.77Å; E209-G212 WeakPolarHBondContact O-CA 3.34Å; E209-G212 PolarHBondContact O-N 2.89Å; Q210-G212 PolarHBondContact O-N 3.4Å
213V94.5Very high96.1Very high8 Ų810.2 Ų10.25%0.0487%0.067CC..  trans-79135.4174.8175.50000110I178 A208 M215 L334 L516 M520I178-V213 HydrophobicContact CG2-CG2 4.15Å; I178-V213 WeakPolarHBondContact O-CG1 3.32Å; A208-V213 WeakPolarHBondContact O-CB 3.35Å; A208-V213 PolarHBondContact O-N 3.23Å; A208-V213 VanDerWaalsContact O-N 3.07Å; V213-M215 WeakPolarHBondContact CG1-O 3.18Å; V213-L334 WeakPolarHBondContact O-CD1 3.24Å; V213-L516 HydrophobicContact CB-CD2 4.32Å; V213-L516 HydrophobicContact CG2-CD1 3.77Å; V213-L516 HydrophobicContact CG2-CD2 3.9Å; V213-L516 HydrophobicContact CG2-CG 4.14Å; V213-M520 HydrophobicContact CG2-CE 3.9Å; V213-M520 HydrophobicContact CG2-CG 3.92Å; V213-M520 HydrophobicContact CG2-SD 3.72Å
214T94.9Very high96.2Very high86 Ų8616 Ų1653%0.5289%0.092SC..  trans-98.8-4.1-175.255.70000113.6S335T214-S335 VanDerWaalsContact O-CB 3.25Å; T214-S335 WeakPolarHBondContact O-CB 3.48Å; T214-S335 PolarHBondContact O-N 3.04Å; T214-S335 PolarHBondContact O-OG 2.71Å
215M97.3Very high96.3Very high4 Ų419.3 Ų19.32%0.0211%0.11CC..EExtended strand (participates in β ladder)trans-145.3136.6178.7-168.8169-67.200112.1L159 M177 V179 G180 V213 S335 I396L159-M215 HydrophobicContact CD2-CE 4.11Å; M177-M215 HydrophobicContact SD-CE 4.29Å; V179-M215 WeakPolarHBondContact CA-O 3.44Å; V179-M215 HydrophobicContact CG1-CB 4.48Å; V179-M215 HydrophobicContact CG1-CG 4.11Å; V179-M215 HydrophobicContact CG2-CB 4.21Å; V179-M215 HydrophobicContact CG2-CG 4.16Å; V179-M215 HydrophobicContact CG2-SD 4.08Å; G180-M215 PolarHBondContact N-O 3.29Å; V213-M215 WeakPolarHBondContact CG1-O 3.18Å; M215-S335 VanDerWaalsContact CA-O 3.32Å; M215-S335 WeakPolarHBondContact CA-O 3.41Å; M215-I396 HydrophobicContact CE-CD1 3.84Å; M215-I396 HydrophobicContact CE-CG1 4.5Å; M215-I396 HydrophobicContact SD-CD1 3.62Å
216V98.2Very high96.3Very high0 Ų021.1 Ų21.10%012%0.122CC..EExtended strand (participates in β ladder)trans-117.8150.3169.1-70.70000109.4G180 F205 A208 L334 S335 F336 N337G180-V216 CarbonylContact O-C 3.45Å; G180-V216 WeakPolarHBondContact O-CA 3.25Å; F205-V216 HydrophobicContact CD1-CB 4.07Å; F205-V216 HydrophobicContact CD1-CG1 4.22Å; F205-V216 HydrophobicContact CD1-CG2 3.77Å; F205-V216 HydrophobicContact CE1-CB 4.46Å; F205-V216 HydrophobicContact CE1-CG2 4.21Å; F205-V216 HydrophobicContact CG-CG2 4.48Å; A208-V216 HydrophobicContact CB-CG1 3.47Å; A208-V216 VanDerWaalsContact CB-CG1 3.47Å; V216-L334 HydrophobicContact CG1-CD1 4.04Å; V216-L334 HydrophobicContact CG1-CD2 4.4Å; V216-L334 HydrophobicContact CG2-CD1 4.49Å; V216-L334 HydrophobicContact CG2-CD2 4.1Å; V216-L334 HydrophobicContact CG2-CG 4.21Å; V216-S335 PolarHBondContact N-O 3.35Å; V216-F336 HydrophobicContact CG2-CD1 3.64Å; V216-F336 HydrophobicContact CG2-CD2 4.37Å; V216-F336 HydrophobicContact CG2-CE1 3.56Å; V216-F336 HydrophobicContact CG2-CE2 4.27Å; V216-F336 HydrophobicContact CG2-CG 4.07Å; V216-F336 HydrophobicContact CG2-CZ 3.89Å; V216-F336 CarbonylContact O-C 3.47Å; V216-F336 WeakPolarHBondContact O-CA 3.5Å; V216-N337 PolarHBondContact O-N 2.96Å
217E98.1Very high96.3Very high4 Ų422.5 Ų22.52%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-92.7143.9163.7-176-67.6135.400107.9V179 G180 H181 A182 G183 N337 E339 I512V179-E217 HydrophobicContact CG1-CB 3.88Å; G180-E217 PolarHBondContact O-N 3.05Å; H181-E217 IonicContact CD2-OE2 2.88Å; H181-E217 PolarHBondContact CD2-OE2 3.47Å; H181-E217 IonicContact NE2-OE2 3.89Å; A182-E217 WeakPolarHBondContact CA-O 3.36Å; A182-E217 PolarHBondContact N-O 2.89Å; A182-E217 PolarHBondContact N-OE2 2.87Å; G183-E217 PolarHBondContact N-O 2.84Å; E217-N337 CarbonylContact C-O 3.58Å; E217-N337 VanDerWaalsContact CA-O 3.28Å; E217-N337 WeakPolarHBondContact CA-O 3.46Å; E217-N337 HydrophobicContact CB-CB 4.27Å; E217-N337 HydrophobicContact CG-CB 4.36Å; E217-E339 VanDerWaalsContact OE1-CB 3.25Å; E217-E339 WeakPolarHBondContact OE1-CB 3.41Å; E217-I512 HydrophobicContact CB-CG2 4.33Å
218C98Very high96.4Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-148.6150.2173.568.40000112.5N200 F205 L230 N337 E339N200-C218 VanDerWaalsContact OD1-CA 3.3Å; N200-C218 WeakPolarHBondContact OD1-CA 3.22Å; N200-C218 WeakPolarHBondContact OD1-CB 3.26Å; F205-C218 HydrophobicContact CE1-CB 4Å; F205-C218 HydrophobicContact CZ-CB 3.78Å; C218-L230 HydrophobicContact CB-CD1 4.47Å; C218-L230 HydrophobicContact CB-CD2 4.33Å; C218-N337 PolarHBondContact N-O 2.76Å; C218-E339 PolarHBondContact O-N 2.87Å
219D97.4Very high96.5Very high2 Ų222 Ų221%0.01113%0.129CC..EExtended strand (participates in β ladder)trans-94.9109.2-177.1-59.2-90.8000112.4N200 L230 H231 H232 E339 K341N200-D219 PolarHBondContact ND2-OD2 3.42Å; N200-D219 PolarHBondContact OD1-N 2.85Å; D219-L230 CarbonylContact O-C 3.55Å; D219-L230 WeakPolarHBondContact O-CA 3.47Å; D219-H231 WeakPolarHBondContact CB-O 3.4Å; D219-H231 PolarHBondContact O-N 3.11Å; D219-H232 HydrophobicContact CB-CB 4.3Å; D219-H232 IonicContact OD1-CD2 3.8Å; D219-H232 PolarHBondContact OD1-CD2 3.02Å; D219-H232 IonicContact OD1-CG 2.93Å; D219-H232 WeakPolarHBondContact OD2-CB 3.45Å; D219-H232 IonicContact OD2-CD2 3.98Å; D219-H232 IonicContact OD2-CG 2.75Å; D219-E339 CarbonylContact C-O 3.53Å; D219-K341 HydrophobicContact CB-CD 3.9Å; D219-K341 HydrophobicContact CB-CG 3.8Å; D219-K341 WeakPolarHBondContact OD1-CD 3.45Å; D219-K341 IonicContact OD1-NZ 3.61Å; D219-K341 PolarHBondContact OD1-NZ 3.35Å
220A98.3Very high96.5Very high0 Ų021.7 Ų21.70%013%0.127CC..EExtended strand (participates in β ladder)trans-93.1123.8177.500000112.9V228 V229 L230 V338 E339 K341 I382A220-V228 HydrophobicContact CB-CG1 4.03Å; A220-V229 WeakPolarHBondContact CA-O 3.4Å; A220-L230 HydrophobicContact CB-CD2 4.42Å; A220-V338 HydrophobicContact CB-CG1 3.48Å; A220-V338 VanDerWaalsContact CB-CG1 3.48Å; A220-E339 PolarHBondContact N-O 2.73Å; A220-K341 WeakPolarHBondContact O-CB 3.3Å; A220-K341 PolarHBondContact O-N 3.36Å; A220-I382 HydrophobicContact CB-CD1 4.46Å
221N96.3Very high96.4Very high0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans-118.3167.8171.8-102.4-66.4000110.7V228 V229 H231 N233 I270 K341N221-V228 CarbonylContact O-C 3.54Å; N221-V228 WeakPolarHBondContact O-CA 3.39Å; N221-V229 HydrophobicContact CB-CG2 3.85Å; N221-V229 PolarHBondContact N-O 2.76Å; N221-V229 PolarHBondContact O-N 2.87Å; N221-H231 PolarHBondContact ND2-O 3.05Å; N221-N233 PolarHBondContact ND2-O 2.93Å; N221-I270 HydrophobicContact CB-CD1 4.39Å; N221-I270 HydrophobicContact CB-CG2 4.29Å; N221-K341 VanDerWaalsContact ND2-CB 3.34Å; N221-K341 WeakPolarHBondContact ND2-CB 3.16Å
222I97.1Very high96.3Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-125.4134178.2-53.7-175000110.2V228 V271 Y373 F378 T381 I382I222-V228 HydrophobicContact CG1-CG2 4.43Å; I222-V271 VanDerWaalsContact O-CA 3.32Å; I222-V271 WeakPolarHBondContact O-CA 3.45Å; I222-V271 VanDerWaalsContact O-CG1 3.25Å; I222-V271 WeakPolarHBondContact O-CG1 3.36Å; I222-V271 PolarHBondContact O-N 2.79Å; I222-Y373 HydrophobicContact CB-CE2 4.43Å; I222-Y373 HydrophobicContact CG2-CE1 4.25Å; I222-Y373 HydrophobicContact CG2-CE2 3.99Å; I222-F378 HydrophobicContact CB-CD2 4.04Å; I222-F378 HydrophobicContact CB-CE2 3.63Å; I222-F378 HydrophobicContact CB-CZ 4.48Å; I222-F378 HydrophobicContact CD1-CB 4.34Å; I222-F378 HydrophobicContact CD1-CD1 4.36Å; I222-F378 HydrophobicContact CD1-CD2 3.24Å; I222-F378 HydrophobicContact CD1-CE2 3.51Å; I222-F378 HydrophobicContact CD1-CG 3.73Å; I222-F378 HydrophobicContact CD1-CZ 4.16Å; I222-F378 WeakPolarHBondContact CD1-O 3.23Å; I222-F378 HydrophobicContact CG1-CD2 3.71Å; I222-F378 HydrophobicContact CG1-CE2 3.39Å; I222-F378 HydrophobicContact CG1-CG 4.49Å; I222-F378 HydrophobicContact CG1-CZ 3.91Å; I222-T381 HydrophobicContact CD1-CG2 3.88Å; I222-T381 HydrophobicContact CG2-CG2 4.29Å; I222-I382 HydrophobicContact CD1-CD1 4.1Å; I222-I382 HydrophobicContact CD1-CG1 3.82Å; I222-I382 HydrophobicContact CG1-CD1 4.3Å; I222-I382 HydrophobicContact CG1-CG1 4.16Å
223T96.8Very high96.1Very high0 Ų022.9 Ų22.90%012%0.119CC..  trans-80.8169.2174.554.20000112D225 S226 E227 V229 I270 Y273 L275 I278 Y373T223-D225 WeakPolarHBondContact CB-OD1 2.93Å; T223-D225 PolarHBondContact O-N 3.49Å; T223-D225 PolarHBondContact OG1-OD1 3.34Å; T223-S226 PolarHBondContact O-N 2.79Å; T223-E227 PolarHBondContact N-O 3.28Å; T223-E227 WeakPolarHBondContact OG1-CA 3.37Å; T223-E227 VanDerWaalsContact OG1-CB 3.31Å; T223-E227 WeakPolarHBondContact OG1-CB 3.48Å; T223-E227 PolarHBondContact OG1-N 2.88Å; T223-E227 PolarHBondContact OG1-O 3.46Å; T223-V229 HydrophobicContact CG2-CG1 3.71Å; T223-V229 HydrophobicContact CG2-CG2 4.13Å; T223-I270 HydrophobicContact CG2-CG2 4.19Å; T223-Y273 WeakPolarHBondContact CB-O 3.47Å; T223-L275 HydrophobicContact CG2-CB 4.37Å; T223-I278 HydrophobicContact CG2-CD1 3.77Å; T223-Y373 WeakPolarHBondContact O-CE2 3.49Å; T223-Y373 PolarHBondContact O-OH 3.38Å
224K96.1Very high96Very high122 Ų12224 Ų2453%0.5312%0.123SC..THydrogen-bonded Turntrans-57.1-34.5178-173.9177.2-179174.70113.9S226 V271 N272 Y273 Q274 Y373K224-S226 VanDerWaalsContact C-N 3.27Å; K224-V271 VanDerWaalsContact CA-O 3.23Å; K224-V271 WeakPolarHBondContact CA-O 3.18Å; K224-V271 WeakPolarHBondContact CB-O 2.85Å; K224-V271 PolarHBondContact N-O 2.83Å; K224-N272 WeakPolarHBondContact CD-O 3.32Å; K224-Y273 VanDerWaalsContact CB-C 3.49Å; K224-Y273 WeakPolarHBondContact CB-O 2.94Å; K224-Y273 PolarHBondContact N-O 3.46Å; K224-Q274 HydrophobicContact CB-CG 4.42Å; K224-Q274 HydrophobicContact CD-CG 4.4Å; K224-Y373 PolarHBondContact O-OH 3.18Å
225D96.1Very high95.9Very high69 Ų6920.7 Ų20.737%0.36910%0.103SC..THydrogen-bonded Turntrans-9015.8177.554.4-23.4000113.3T223 E227 Q274 L275T223-D225 WeakPolarHBondContact CB-OD1 2.93Å; T223-D225 PolarHBondContact O-N 3.49Å; T223-D225 PolarHBondContact OG1-OD1 3.34Å; D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 PolarHBondContact O-N 3.29Å; D225-Q274 HydrophobicContact CB-CG 4.43Å; D225-Q274 VanDerWaalsContact OD1-CA 3.28Å; D225-Q274 WeakPolarHBondContact OD1-CA 3.32Å; D225-L275 PolarHBondContact OD1-N 2.97Å
226S96Very high95.4Very high38 Ų3820.6 Ų20.627%0.26610%0.102SC..  trans6625.4173.4-55.10000114.8T223 K224 Y373 T381T223-S226 PolarHBondContact O-N 2.79Å; K224-S226 VanDerWaalsContact C-N 3.27Å; S226-Y373 PolarHBondContact N-OH 3.3Å; S226-Y373 PolarHBondContact OG-OH 2.94Å; S226-T381 VanDerWaalsContact O-CG2 3.27Å; S226-T381 WeakPolarHBondContact O-CG2 3.44Å
227E96.5Very high94.7Very high57 Ų5721 Ų2127%0.26611%0.107SC..  trans-81.8132.8166.7-66.2-75.8154.800110.3T223 D225 L275 L322 K324T223-E227 PolarHBondContact N-O 3.28Å; T223-E227 WeakPolarHBondContact OG1-CA 3.37Å; T223-E227 VanDerWaalsContact OG1-CB 3.31Å; T223-E227 WeakPolarHBondContact OG1-CB 3.48Å; T223-E227 PolarHBondContact OG1-N 2.88Å; T223-E227 PolarHBondContact OG1-O 3.46Å; D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 PolarHBondContact O-N 3.29Å; E227-L275 HydrophobicContact CB-CB 4.37Å; E227-L275 HydrophobicContact CB-CD2 4.31Å; E227-L275 HydrophobicContact CG-CB 4.27Å; E227-L275 HydrophobicContact CG-CD2 4.04Å; E227-L322 HydrophobicContact CB-CD2 3.8Å; E227-K324 IonicContact OE1-NZ 3.61Å; E227-K324 IonicContact OE2-NZ 2.74Å; E227-K324 PolarHBondContact OE2-NZ 3.06Å
228V97.8Very high94Very high3 Ų323.4 Ų23.42%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-86.1112.4178.3-174.70000110A220 N221 I222 L322 L323 T381 I382 T385A220-V228 HydrophobicContact CB-CG1 4.03Å; N221-V228 CarbonylContact O-C 3.54Å; N221-V228 WeakPolarHBondContact O-CA 3.39Å; I222-V228 HydrophobicContact CG1-CG2 4.43Å; V228-L322 WeakPolarHBondContact O-CA 3.49Å; V228-L322 WeakPolarHBondContact O-CD2 3.38Å; V228-L323 HydrophobicContact CB-CB 4.29Å; V228-L323 HydrophobicContact CG1-CB 3.82Å; V228-L323 HydrophobicContact CG1-CD2 3.87Å; V228-L323 PolarHBondContact O-N 3.02Å; V228-T381 HydrophobicContact CG2-CG2 3.91Å; V228-I382 HydrophobicContact CG1-CG1 4.22Å; V228-I382 HydrophobicContact CG2-CG1 4.12Å; V228-T385 HydrophobicContact CB-CG2 4.23Å; V228-T385 HydrophobicContact CG2-CG2 4.35Å; V228-T385 WeakPolarHBondContact CG2-OG1 3.39Å
229V97.1Very high93.2Very high0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-109.1154.4-177.3-68.10000111.4A220 N221 T223 I270 L275 I320 P321 L322A220-V229 WeakPolarHBondContact CA-O 3.4Å; N221-V229 HydrophobicContact CB-CG2 3.85Å; N221-V229 PolarHBondContact N-O 2.76Å; N221-V229 PolarHBondContact O-N 2.87Å; T223-V229 HydrophobicContact CG2-CG1 3.71Å; T223-V229 HydrophobicContact CG2-CG2 4.13Å; V229-I270 HydrophobicContact CG2-CG2 3.92Å; V229-L275 HydrophobicContact CG1-CD1 3.82Å; V229-I320 HydrophobicContact CB-CG2 3.53Å; V229-I320 HydrophobicContact CG1-CG2 3.82Å; V229-I320 HydrophobicContact CG2-CG2 3.96Å; V229-P321 CarbonylContact C-O 3.56Å; V229-P321 WeakPolarHBondContact CA-O 3.26Å; V229-L322 HydrophobicContact CG1-CD2 3.77Å
230L96.2Very high92.4Very high1 Ų129.7 Ų29.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-100.6106.5176.9-56.8-177.7000111N200 F205 C218 D219 A220 I320 P321 L323 A326N200-L230 HydrophobicContact CB-CB 4.03Å; F205-L230 HydrophobicContact CE2-CD1 3.52Å; F205-L230 HydrophobicContact CZ-CD1 3.76Å; C218-L230 HydrophobicContact CB-CD1 4.47Å; C218-L230 HydrophobicContact CB-CD2 4.33Å; D219-L230 CarbonylContact O-C 3.55Å; D219-L230 WeakPolarHBondContact O-CA 3.47Å; A220-L230 HydrophobicContact CB-CD2 4.42Å; L230-I320 WeakPolarHBondContact O-CA 3.42Å; L230-P321 HydrophobicContact CB-CG 4.09Å; L230-P321 HydrophobicContact CD1-CG 4.23Å; L230-P321 HydrophobicContact CG-CG 4.49Å; L230-P321 PolarHBondContact N-O 3.28Å; L230-L323 HydrophobicContact CD1-CD1 4.42Å; L230-L323 HydrophobicContact CD2-CB 3.92Å; L230-L323 HydrophobicContact CD2-CD1 3.84Å; L230-L323 HydrophobicContact CD2-CG 4.4Å; L230-L323 HydrophobicContact CG-CB 4.34Å; L230-A326 HydrophobicContact CD1-CB 3.73Å
231H92.9Very high91.4Very high8 Ų832.4 Ų32.44%0.03717%0.167CC..  trans-161.8134.2178.6-171.666.9000110.4D219 N221 N233 T235 I270 I320D219-H231 WeakPolarHBondContact CB-O 3.4Å; D219-H231 PolarHBondContact O-N 3.11Å; N221-H231 PolarHBondContact ND2-O 3.05Å; H231-N233 PolarHBondContact CD2-N 3.48Å; H231-N233 PolarHBondContact CD2-O 2.65Å; H231-N233 VanDerWaalsContact CD2-O 3.28Å; H231-T235 PolarHBondContact NE2-O 2.86Å; H231-I270 HydrophobicContact CB-CD1 3.91Å; H231-I270 WeakPolarHBondContact CD2-CD1 3.36Å; H231-I320 HydrophobicContact CB-CD1 4.4Å; H231-I320 HydrophobicContact CB-CG1 4.15Å; H231-I320 HydrophobicContact CB-CG2 4.49Å
232H92Very high90.5Very high68 Ų6838.5 Ų38.532%0.31521%0.207SC..SBendtrans-69.2-43.8-174.3175.5-83.6000113.5D219 K341D219-H232 HydrophobicContact CB-CB 4.3Å; D219-H232 IonicContact OD1-CD2 3.8Å; D219-H232 PolarHBondContact OD1-CD2 3.02Å; D219-H232 IonicContact OD1-CG 2.93Å; D219-H232 WeakPolarHBondContact OD2-CB 3.45Å; D219-H232 IonicContact OD2-CD2 3.98Å; D219-H232 IonicContact OD2-CG 2.75Å; H232-K341 PolarHBondContact CD2-NZ 2.91Å; H232-K341 VanDerWaalsContact CD2-NZ 3.28Å; H232-K341 PolarHBondContact NE2-NZ 3.4Å; H232-K341 WeakPolarHBondContact O-CE 3.28Å; H232-K341 PolarHBondContact O-NZ 3.42Å
233N91Very high89.5Confident11 Ų1144.2 Ų44.26%0.05923%0.228CC..SBendtrans-79.2154.8-176.6-69.3-9.1000111.7N221 H231 T235 K257 D259N221-N233 PolarHBondContact ND2-O 2.93Å; H231-N233 PolarHBondContact CD2-N 3.48Å; H231-N233 PolarHBondContact CD2-O 2.65Å; H231-N233 VanDerWaalsContact CD2-O 3.28Å; N233-T235 VanDerWaalsContact C-N 3.35Å; N233-T235 WeakPolarHBondContact CB-O 3.23Å; N233-K257 PolarHBondContact ND2-O 2.83Å; N233-D259 VanDerWaalsContact CA-OD2 3.31Å; N233-D259 WeakPolarHBondContact CA-OD2 3.25Å; N233-D259 VanDerWaalsContact CB-OD2 3.3Å; N233-D259 WeakPolarHBondContact CB-OD2 3.39Å
234F92.7Very high88.5Confident31 Ų3152.8 Ų52.814%0.13627%0.265CS..SBendtrans-70.4-35.8165.2-57-61.3000111.2D259 V262 L269 I270 K341 Y342 P343 F372F234-D259 WeakPolarHBondContact CB-OD2 3.42Å; F234-D259 WeakPolarHBondContact CD2-OD2 3.34Å; F234-D259 PolarHBondContact N-OD2 3.23Å; F234-V262 HydrophobicContact CB-CG2 4.03Å; F234-V262 HydrophobicContact CD2-CB 4.36Å; F234-V262 HydrophobicContact CD2-CG2 3.67Å; F234-V262 HydrophobicContact CG-CG2 4.21Å; F234-L269 HydrophobicContact CB-CD2 4.13Å; F234-L269 CarbonylContact O-C 3.48Å; F234-L269 WeakPolarHBondContact O-CA 3.36Å; F234-I270 PolarHBondContact O-N 2.83Å; F234-K341 HydrophobicContact CD1-CB 4.37Å; F234-K341 HydrophobicContact CE1-CB 4.03Å; F234-Y342 WeakPolarHBondContact CZ-O 3.29Å; F234-P343 HydrophobicContact CE1-CG 4.49Å; F234-F372 HydrophobicContact CB-CE2 4.28Å; F234-F372 HydrophobicContact CB-CZ 3.92Å; F234-F372 HydrophobicContact CD1-CE1 4.17Å; F234-F372 HydrophobicContact CD1-CE2 4.42Å; F234-F372 AromaticContact CD1-CZ 3.63Å; F234-F372 HydrophobicContact CD1-CZ 3.63Å; F234-F372 HydrophobicContact CG-CZ 4.11Å
235T91.9Very high87.7Confident17 Ų1749.6 Ų49.610%0.10426%0.259CS..BIsolated β-bridgetrans-85.1152.717570.90000111.2H231 N233 D259 D268 L269H231-T235 PolarHBondContact NE2-O 2.86Å; N233-T235 VanDerWaalsContact C-N 3.35Å; N233-T235 WeakPolarHBondContact CB-O 3.23Å; T235-D259 WeakPolarHBondContact CB-OD1 3.39Å; T235-D259 VanDerWaalsContact CG2-OD1 3.29Å; T235-D259 WeakPolarHBondContact CG2-OD1 3.47Å; T235-D259 PolarHBondContact N-OD1 2.93Å; T235-D259 PolarHBondContact OG1-OD1 3.28Å; T235-D268 WeakPolarHBondContact CA-O 3.46Å; T235-D268 WeakPolarHBondContact CB-OD2 3.42Å; T235-D268 VanDerWaalsContact CG2-OD1 3.27Å; T235-D268 WeakPolarHBondContact CG2-OD1 3.16Å; T235-L269 HydrophobicContact CG2-CD2 4.02Å
236L87.9Confident86.8Confident2 Ų254.6 Ų54.61%0.0128%0.28CS..  trans-66.7-41.8172.7-172.464.1000110.8V238 L254 D268 I270 I278 L281 I320L236-V238 HydrophobicContact CD2-CG1 3.65Å; L236-V238 HydrophobicContact CG-CG1 3.69Å; L236-L254 HydrophobicContact CD1-CD2 3.93Å; L236-L254 HydrophobicContact CG-CD2 4.28Å; L236-L254 WeakPolarHBondContact O-CD2 3.39Å; L236-D268 PolarHBondContact N-O 2.77Å; L236-I270 HydrophobicContact CB-CG1 4.5Å; L236-I278 HydrophobicContact CD1-CG1 4.37Å; L236-I278 HydrophobicContact CD1-CG2 3.85Å; L236-L281 HydrophobicContact CD2-CD1 3.82Å; L236-I320 HydrophobicContact CD1-CD1 3.22Å
237G83Confident86.1Confident9 Ų962 Ų629%0.09331%0.307CS..  trans56.398.4-177.100000111.8L254 E255G237-L254 CarbonylContact O-C 3.59Å; G237-L254 WeakPolarHBondContact O-CA 3.49Å; G237-E255 PolarHBondContact O-N 3.02Å
238V82.7Confident85.1Confident53 Ų5361.4 Ų61.432%0.32131%0.306SS..EExtended strand (participates in β ladder)trans-127.5139.2-175-68.90000113.6L236 F252 I253 L282L236-V238 HydrophobicContact CD2-CG1 3.65Å; L236-V238 HydrophobicContact CG-CG1 3.69Å; V238-F252 HydrophobicContact CB-CB 3.84Å; V238-F252 HydrophobicContact CB-CD1 4.01Å; V238-F252 HydrophobicContact CB-CG 4.17Å; V238-F252 HydrophobicContact CG1-CB 4.19Å; V238-F252 HydrophobicContact CG2-CD1 3.96Å; V238-F252 HydrophobicContact CG2-CG 4.35Å; V238-I253 CarbonylContact C-O 3.57Å; V238-I253 VanDerWaalsContact CA-O 3.31Å; V238-I253 WeakPolarHBondContact CA-O 3.43Å; V238-L282 HydrophobicContact CG1-CD2 4.2Å
239C81.6Confident83.9Confident38 Ų3865.1 Ų65.126%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-114.8131.8171.4-80.60000110.5Q241 F252 I253 E255C239-Q241 PolarHBondContact O-N 3.01Å; C239-F252 CarbonylContact O-C 3.54Å; C239-F252 WeakPolarHBondContact O-CA 3.33Å; C239-I253 HydrophobicContact CB-CG1 4.1Å; C239-I253 PolarHBondContact N-O 3.07Å; C239-I253 PolarHBondContact O-N 2.94Å; C239-E255 PolarHBondContact SG-OE1 2.75Å
240E81.6Confident83Confident97 Ų9770.4 Ų70.445%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-64.2132.8175.5-171.3177.7178.600110.3Q250 F252E240-Q250 WeakPolarHBondContact OE1-CG 3.22Å; E240-Q250 PolarHBondContact OE1-NE2 3.48Å; E240-F252 HydrophobicContact CB-CD1 4.08Å; E240-F252 HydrophobicContact CB-CE1 3.84Å; E240-F252 HydrophobicContact CG-CE1 4.35Å
241Q76.3Confident81.8Confident56 Ų5670.7 Ų70.726%0.26236%0.356SS..PPolyproline II helixtrans-83.1146.6173.8-64-177.661.900110.7C239 R243 T251 F252 I253C239-Q241 PolarHBondContact O-N 3.01Å; Q241-R243 PolarHBondContact O-N 3.44Å; Q241-T251 WeakPolarHBondContact CB-O 3.49Å; Q241-T251 PolarHBondContact N-O 2.76Å; Q241-F252 PolarHBondContact NE2-O 2.74Å; Q241-I253 VanDerWaalsContact CD-CG2 3.46Å; Q241-I253 HydrophobicContact CG-CB 4.42Å; Q241-I253 HydrophobicContact CG-CG1 4.31Å; Q241-I253 HydrophobicContact CG-CG2 3.7Å
242P77Confident81.1Confident129 Ų12972.3 Ų72.384%0.83836%0.363SS*.PPolyproline II helixtrans-56.8124.4171.6-23.533.2000111.8
243R75.9Confident80.4Confident120 Ų12071.6 Ų71.645%0.45336%0.361SS..PPolyproline II helixtrans-73.2138174.7-67.9-175.4-75.4154.70.4110.5Q241 E246 D248Q241-R243 PolarHBondContact O-N 3.44Å; R243-E246 PolarHBondContact NH1-O 3.26Å; R243-D248 WeakPolarHBondContact CD-O 3.26Å
244K76.7Confident79.9Confident180 Ų18071.3 Ų71.378%0.78336%0.36SS*.SBendtrans-78.8-31.7173.9-65.6-178.1179.6178.40111.5D248K244-D248 WeakPolarHBondContact CB-OD2 3.47Å; K244-D248 PolarHBondContact N-OD2 2.82Å
245S79Confident79Confident55 Ų5572.1 Ų72.139%0.38536%0.364SS..SBendtrans-137.1151.5174.6-176.30000110.7K247 D248S245-K247 PolarHBondContact O-N 2.96Å; S245-K247 VanDerWaalsContact O-N 3.13Å; S245-K247 PolarHBondContact OG-N 2.75Å; S245-D248 PolarHBondContact N-OD2 2.91Å; S245-D248 WeakPolarHBondContact O-CB 3.16Å; S245-D248 PolarHBondContact O-N 2.8Å
246E77.6Confident78Confident174 Ų17472 Ų7281%0.81336%0.362SS*.THydrogen-bonded Turntrans-57.4-24.6171.9-79.6-176.3155.500113.5R243R243-E246 PolarHBondContact NH1-O 3.26Å
247K81.4Confident77.5Confident193 Ų19377.9 Ų77.984%0.83939%0.388SS*.THydrogen-bonded Turntrans-81.7-14.6177.9-63.5-175.3-179.1-179.30113.6S245S245-K247 PolarHBondContact O-N 2.96Å; S245-K247 VanDerWaalsContact O-N 3.13Å; S245-K247 PolarHBondContact OG-N 2.75Å
248D74.6Confident77.2Confident45 Ų4583.3 Ų83.324%0.24142%0.419CS..SBendtrans-70.7137179-64-26.2000109.1R243 K244 S245R243-D248 WeakPolarHBondContact CD-O 3.26Å; K244-D248 WeakPolarHBondContact CB-OD2 3.47Å; K244-D248 PolarHBondContact N-OD2 2.82Å; S245-D248 PolarHBondContact N-OD2 2.91Å; S245-D248 WeakPolarHBondContact O-CB 3.16Å; S245-D248 PolarHBondContact O-N 2.8Å
249P73.6Confident77.2Confident81 Ų8182.2 Ų82.253%0.52641%0.412SS..PPolyproline II helixtrans-59.8147.6174.227.2-33.9000109.7T251P249-T251 PolarHBondContact O-N 2.91Å
250Q76.7Confident77.3Confident110 Ų11083.6 Ų83.651%0.51443%0.432SS..PPolyproline II helixtrans-62.2130.5169.1-67.6-178.1-40.100109E240 F252E240-Q250 WeakPolarHBondContact OE1-CG 3.22Å; E240-Q250 PolarHBondContact OE1-NE2 3.48Å; Q250-F252 HydrophobicContact CB-CE2 4.26Å
251T71.5Confident77.3Confident7 Ų784.5 Ų84.54%0.04344%0.444CS..  trans-127.1144.1177.256.70000108.4Q241 P249 R283 V285Q241-T251 WeakPolarHBondContact CB-O 3.49Å; Q241-T251 PolarHBondContact N-O 2.76Å; P249-T251 PolarHBondContact O-N 2.91Å; T251-R283 WeakPolarHBondContact CB-O 3.3Å; T251-R283 WeakPolarHBondContact CG2-O 3.31Å; T251-V285 HydrophobicContact CG2-CG2 4.25Å
252F78.1Confident77.9Confident43 Ų4382.3 Ų82.319%0.18944%0.435CS..EExtended strand (participates in β ladder)trans-114.6156.5-177.9-59.9-98.5000111.1V238 C239 E240 Q241 Q250 L281V238-F252 HydrophobicContact CB-CB 3.84Å; V238-F252 HydrophobicContact CB-CD1 4.01Å; V238-F252 HydrophobicContact CB-CG 4.17Å; V238-F252 HydrophobicContact CG1-CB 4.19Å; V238-F252 HydrophobicContact CG2-CD1 3.96Å; V238-F252 HydrophobicContact CG2-CG 4.35Å; C239-F252 CarbonylContact O-C 3.54Å; C239-F252 WeakPolarHBondContact O-CA 3.33Å; E240-F252 HydrophobicContact CB-CD1 4.08Å; E240-F252 HydrophobicContact CB-CE1 3.84Å; E240-F252 HydrophobicContact CG-CE1 4.35Å; Q241-F252 PolarHBondContact NE2-O 2.74Å; Q250-F252 HydrophobicContact CB-CE2 4.26Å; F252-L281 HydrophobicContact CD2-CD2 4.03Å; F252-L281 HydrophobicContact CE2-CD2 4.08Å; F252-L281 PolarHBondContact N-O 3.34Å
253I77.3Confident78.5Confident52 Ų5278.5 Ų78.527%0.26741%0.407SS..EExtended strand (participates in β ladder)trans-112.3160.316252.7174.2000109.1V238 C239 Q241 E255V238-I253 CarbonylContact C-O 3.57Å; V238-I253 VanDerWaalsContact CA-O 3.31Å; V238-I253 WeakPolarHBondContact CA-O 3.43Å; C239-I253 HydrophobicContact CB-CG1 4.1Å; C239-I253 PolarHBondContact N-O 3.07Å; C239-I253 PolarHBondContact O-N 2.94Å; Q241-I253 VanDerWaalsContact CD-CG2 3.46Å; Q241-I253 HydrophobicContact CG-CB 4.42Å; Q241-I253 HydrophobicContact CG-CG1 4.31Å; Q241-I253 HydrophobicContact CG-CG2 3.7Å; I253-E255 PolarHBondContact O-N 3.5Å
254L80Confident79.2Confident5 Ų577.3 Ų77.33%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-65.8129.6171-63.2179.8000111L236 G237 L282 P319 I320L236-L254 HydrophobicContact CD1-CD2 3.93Å; L236-L254 HydrophobicContact CG-CD2 4.28Å; L236-L254 WeakPolarHBondContact O-CD2 3.39Å; G237-L254 CarbonylContact O-C 3.59Å; G237-L254 WeakPolarHBondContact O-CA 3.49Å; L254-L282 HydrophobicContact CD2-CD1 3.9Å; L254-L282 HydrophobicContact CD2-CD2 3.85Å; L254-L282 HydrophobicContact CG-CD1 4.3Å; L254-L282 HydrophobicContact CG-CD2 4.19Å; L254-P319 HydrophobicContact CD1-CB 3.47Å; L254-P319 VanDerWaalsContact CD1-CB 3.47Å; L254-P319 HydrophobicContact CD1-CG 4.45Å; L254-P319 HydrophobicContact CG-CB 4.16Å; L254-I320 HydrophobicContact CD1-CD1 4.22Å; L254-I320 HydrophobicContact CD1-CG1 3.98Å; L254-I320 HydrophobicContact CD2-CD1 3.85Å; L254-I320 HydrophobicContact CD2-CG1 4.49Å
255E75.8Confident80Confident48 Ų4874.1 Ų74.122%0.22440%0.398CS..  trans-89.6101166.2-173.2164.8-130.300108.3G237 C239 I253 K257G237-E255 PolarHBondContact O-N 3.02Å; C239-E255 PolarHBondContact SG-OE1 2.75Å; I253-E255 PolarHBondContact O-N 3.5Å; E255-K257 VanDerWaalsContact CD-CD 3.48Å; E255-K257 HydrophobicContact CG-CB 4.26Å; E255-K257 HydrophobicContact CG-CD 3.9Å; E255-K257 HydrophobicContact CG-CG 3.78Å; E255-K257 PolarHBondContact O-N 3.06Å; E255-K257 WeakPolarHBondContact OE1-CE 3.37Å; E255-K257 IonicContact OE1-NZ 3.66Å; E255-K257 PolarHBondContact OE1-NZ 2.82Å; E255-K257 WeakPolarHBondContact OE2-CD 3.36Å; E255-K257 WeakPolarHBondContact OE2-CE 3.5Å; E255-K257 IonicContact OE2-NZ 3.79Å; E255-K257 PolarHBondContact OE2-NZ 2.9Å
256H69.9Low80.6Confident16 Ų1672.6 Ų72.67%0.07439%0.387CS..  trans-75.156.6176-60.6-94.5000112.1R188 H190 Y191 E199R188-H256 HydrophobicContact CG-CB 4.25Å; H190-H256 AromaticContact CD2-CE1 3.44Å; H190-H256 PolarHBondContact CD2-CE1 2.92Å; H190-H256 VanDerWaalsContact CD2-CE1 3.44Å; H190-H256 AromaticContact CD2-NE2 3.09Å; H190-H256 PolarHBondContact CD2-NE2 3.33Å; H190-H256 AromaticContact CG-NE2 3.58Å; Y191-H256 HydrophobicContact CE2-CB 4.2Å; Y191-H256 AromaticContact CE2-CD2 3.95Å; Y191-H256 PolarHBondContact OH-N 3.06Å; E199-H256 IonicContact OE1-CE1 3.26Å; E199-H256 PolarHBondContact OE1-CE1 3.17Å; E199-H256 IonicContact OE1-ND1 3.92Å; E199-H256 PolarHBondContact OE1-ND1 3.25Å
257K76.7Confident81.1Confident124 Ų12469.8 Ų69.854%0.53938%0.382SS..PPolyproline II helixtrans-90.5140.1165-78.3178.2-173.8153.30108.2N233 E255N233-K257 PolarHBondContact ND2-O 2.83Å; E255-K257 VanDerWaalsContact CD-CD 3.48Å; E255-K257 HydrophobicContact CG-CB 4.26Å; E255-K257 HydrophobicContact CG-CD 3.9Å; E255-K257 HydrophobicContact CG-CG 3.78Å; E255-K257 PolarHBondContact O-N 3.06Å; E255-K257 WeakPolarHBondContact OE1-CE 3.37Å; E255-K257 IonicContact OE1-NZ 3.66Å; E255-K257 PolarHBondContact OE1-NZ 2.82Å; E255-K257 WeakPolarHBondContact OE2-CD 3.36Å; E255-K257 WeakPolarHBondContact OE2-CE 3.5Å; E255-K257 IonicContact OE2-NZ 3.79Å; E255-K257 PolarHBondContact OE2-NZ 2.9Å
258T78.1Confident81.5Confident123 Ų12363.3 Ų63.376%0.75536%0.357SS*.PPolyproline II helixtrans-59.3139.5171.4-48.50000109.5
259D82.9Confident82.4Confident31 Ų3161.1 Ų61.117%0.16635%0.345CS..PPolyproline II helixtrans-56.6142.9172.8-70.3-36.8000111N233 F234 T235 V262N233-D259 VanDerWaalsContact CA-OD2 3.31Å; N233-D259 WeakPolarHBondContact CA-OD2 3.25Å; N233-D259 VanDerWaalsContact CB-OD2 3.3Å; N233-D259 WeakPolarHBondContact CB-OD2 3.39Å; F234-D259 WeakPolarHBondContact CB-OD2 3.42Å; F234-D259 WeakPolarHBondContact CD2-OD2 3.34Å; F234-D259 PolarHBondContact N-OD2 3.23Å; T235-D259 WeakPolarHBondContact CB-OD1 3.39Å; T235-D259 VanDerWaalsContact CG2-OD1 3.29Å; T235-D259 WeakPolarHBondContact CG2-OD1 3.47Å; T235-D259 PolarHBondContact N-OD1 2.93Å; T235-D259 PolarHBondContact OG1-OD1 3.28Å; D259-V262 HydrophobicContact CB-CG2 4.25Å
260G81.7Confident83.4Confident67 Ų6757.3 Ų57.369%0.69132%0.32SS*.  trans-73.7-160161.900000111.1V262G260-V262 PolarHBondContact O-N 3.42Å
261V82.7Confident84.3Confident116 Ų11652.4 Ų52.470%0.70330%0.298SS*.  trans-64121.5170.6179.70000109
262V87.7Confident85.4Confident10 Ų1055.6 Ų55.66%0.06132%0.315CS..  trans-91121.3174.7172.70000109.7F234 D259 G260 S266 L269 P343 Y371 F372F234-V262 HydrophobicContact CB-CG2 4.03Å; F234-V262 HydrophobicContact CD2-CB 4.36Å; F234-V262 HydrophobicContact CD2-CG2 3.67Å; F234-V262 HydrophobicContact CG-CG2 4.21Å; D259-V262 HydrophobicContact CB-CG2 4.25Å; G260-V262 PolarHBondContact O-N 3.42Å; V262-S266 WeakPolarHBondContact CA-OG 3.22Å; V262-L269 HydrophobicContact CG1-CD1 4.37Å; V262-L269 HydrophobicContact CG1-CD2 3.74Å; V262-L269 HydrophobicContact CG2-CD2 4.38Å; V262-P343 HydrophobicContact CG1-CG 4.38Å; V262-Y371 HydrophobicContact CG1-CE2 3.87Å; V262-Y371 PolarHBondContact O-OH 2.98Å; V262-F372 HydrophobicContact CG1-CE2 4.28Å
263N90.6Very high86.2Confident48 Ų4856.5 Ų56.526%0.25732%0.317SS..SBendtrans-148-171.6-18064.342.2000111N265 S266N263-N265 PolarHBondContact O-N 2.92Å; N263-N265 WeakPolarHBondContact OD1-CA 3.35Å; N263-N265 VanDerWaalsContact OD1-CB 3.29Å; N263-N265 WeakPolarHBondContact OD1-CB 3.26Å; N263-N265 PolarHBondContact OD1-N 2.98Å; N263-N265 PolarHBondContact OD1-ND2 3.18Å; N263-S266 PolarHBondContact N-OG 2.81Å; N263-S266 VanDerWaalsContact O-CB 3.29Å; N263-S266 WeakPolarHBondContact O-CB 3.37Å; N263-S266 PolarHBondContact O-N 2.84Å; N263-S266 PolarHBondContact O-OG 3.01Å
264E91.5Very high87Confident95 Ų9557.6 Ų57.644%0.44432%0.322SS..THydrogen-bonded Turntrans-61.6-15.9-178.473.7-72169.900114.5P366 Y371E264-P366 HydrophobicContact CB-CB 3.96Å; E264-P366 HydrophobicContact CB-CG 4.48Å; E264-P366 HydrophobicContact CG-CB 3.96Å; E264-P366 HydrophobicContact CG-CG 4.02Å; E264-Y371 HydrophobicContact CB-CD1 3.8Å; E264-Y371 HydrophobicContact CB-CE1 4.48Å; E264-Y371 HydrophobicContact CB-CG 4.42Å
265N92.3Very high87.6Confident114 Ų11458.2 Ų58.261%0.6133%0.325SS*.THydrogen-bonded Turntrans-94.1-4.1176.9-50.7-73.9000112.9N263 T267N263-N265 PolarHBondContact O-N 2.92Å; N263-N265 WeakPolarHBondContact OD1-CA 3.35Å; N263-N265 VanDerWaalsContact OD1-CB 3.29Å; N263-N265 WeakPolarHBondContact OD1-CB 3.26Å; N263-N265 PolarHBondContact OD1-N 2.98Å; N263-N265 PolarHBondContact OD1-ND2 3.18Å; N265-T267 PolarHBondContact O-N 2.84Å
266S91.2Very high88.4Confident22 Ų2259.3 Ų59.315%0.15434%0.338CS..  trans-72.6114.6174.2-59.30000109.9V262 N263V262-S266 WeakPolarHBondContact CA-OG 3.22Å; N263-S266 PolarHBondContact N-OG 2.81Å; N263-S266 VanDerWaalsContact O-CB 3.29Å; N263-S266 WeakPolarHBondContact O-CB 3.37Å; N263-S266 PolarHBondContact O-N 2.84Å; N263-S266 PolarHBondContact O-OG 3.01Å
267T87.9Confident89.4Confident116 Ų11662 Ų6271%0.71235%0.35SS*.  trans-96.7-25.9-170.152.40000113.9N265N265-T267 PolarHBondContact O-N 2.84Å
268D90.5Very high90Very high56 Ų5656 Ų5630%0.29932%0.324SS..  trans-99.425.7-172.866.2-31.5000113.8T235 L236T235-D268 WeakPolarHBondContact CA-O 3.46Å; T235-D268 WeakPolarHBondContact CB-OD2 3.42Å; T235-D268 VanDerWaalsContact CG2-OD1 3.27Å; T235-D268 WeakPolarHBondContact CG2-OD1 3.16Å; L236-D268 PolarHBondContact N-O 2.77Å
269L94Very high90.5Very high0 Ų051.3 Ų51.30%029%0.293CS..BIsolated β-bridgetrans-65.9138176.6-56.5176.1000111.7F234 T235 V262 V271 N272 Y273 Y371 F372F234-L269 HydrophobicContact CB-CD2 4.13Å; F234-L269 CarbonylContact O-C 3.48Å; F234-L269 WeakPolarHBondContact O-CA 3.36Å; T235-L269 HydrophobicContact CG2-CD2 4.02Å; V262-L269 HydrophobicContact CG1-CD1 4.37Å; V262-L269 HydrophobicContact CG1-CD2 3.74Å; V262-L269 HydrophobicContact CG2-CD2 4.38Å; L269-V271 HydrophobicContact CB-CG2 3.74Å; L269-V271 HydrophobicContact CD1-CG2 4.37Å; L269-V271 PolarHBondContact O-N 2.81Å; L269-N272 WeakPolarHBondContact O-CB 3.39Å; L269-N272 PolarHBondContact O-N 2.89Å; L269-Y273 VanDerWaalsContact O-CD2 3.27Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y371 HydrophobicContact CD1-CD2 4.02Å; L269-F372 HydrophobicContact CB-CE2 4.34Å; L269-F372 HydrophobicContact CD1-CD2 3.97Å; L269-F372 HydrophobicContact CD1-CE2 3.78Å; L269-F372 HydrophobicContact CD2-CE2 4.02Å; L269-F372 HydrophobicContact CG-CE2 4.27Å
270I94.7Very high90.5Very high0 Ų053.6 Ų53.60%031%0.311CS..G310 helixtrans-55.5-37.1179.2-72.6178.3000112.1N221 T223 V229 H231 F234 L236 N272 Y273 I278N221-I270 HydrophobicContact CB-CD1 4.39Å; N221-I270 HydrophobicContact CB-CG2 4.29Å; T223-I270 HydrophobicContact CG2-CG2 4.19Å; V229-I270 HydrophobicContact CG2-CG2 3.92Å; H231-I270 HydrophobicContact CB-CD1 3.91Å; H231-I270 WeakPolarHBondContact CD2-CD1 3.36Å; F234-I270 PolarHBondContact O-N 2.83Å; L236-I270 HydrophobicContact CB-CG1 4.5Å; I270-N272 PolarHBondContact O-N 3.1Å; I270-Y273 PolarHBondContact O-N 3.45Å; I270-I278 HydrophobicContact CG2-CD1 4.16Å
271V95.2Very high90.6Very high8 Ų852.8 Ų52.85%0.04829%0.291CS..G310 helixtrans-59.6-17.4177.4-650000113.9I222 K224 L269 F372 Y373I222-V271 VanDerWaalsContact O-CA 3.32Å; I222-V271 WeakPolarHBondContact O-CA 3.45Å; I222-V271 VanDerWaalsContact O-CG1 3.25Å; I222-V271 WeakPolarHBondContact O-CG1 3.36Å; I222-V271 PolarHBondContact O-N 2.79Å; K224-V271 VanDerWaalsContact CA-O 3.23Å; K224-V271 WeakPolarHBondContact CA-O 3.18Å; K224-V271 WeakPolarHBondContact CB-O 2.85Å; K224-V271 PolarHBondContact N-O 2.83Å; L269-V271 HydrophobicContact CB-CG2 3.74Å; L269-V271 HydrophobicContact CD1-CG2 4.37Å; L269-V271 PolarHBondContact O-N 2.81Å; V271-F372 HydrophobicContact CG1-CD1 3.64Å; V271-F372 HydrophobicContact CG1-CE1 3.56Å; V271-F372 HydrophobicContact CG1-CG 4.15Å; V271-F372 HydrophobicContact CG1-CZ 4.03Å; V271-F372 HydrophobicContact CG2-CD1 4.46Å; V271-F372 HydrophobicContact CG2-CD2 3.98Å; V271-F372 HydrophobicContact CG2-CE2 4.06Å; V271-F372 HydrophobicContact CG2-CG 4.18Å; V271-F372 HydrophobicContact CG2-CZ 4.3Å; V271-Y373 HydrophobicContact CB-CD2 3.98Å; V271-Y373 HydrophobicContact CB-CE2 4.06Å; V271-Y373 HydrophobicContact CG1-CD2 3.69Å; V271-Y373 HydrophobicContact CG1-CE2 4.06Å
272N94.8Very high90.6Very high74 Ų7448.3 Ų48.340%0.39626%0.262SS..G310 helixtrans-91.4-10.1178.4-66.9-25.1000113.6K224 L269 I270K224-N272 WeakPolarHBondContact CD-O 3.32Å; L269-N272 WeakPolarHBondContact O-CB 3.39Å; L269-N272 PolarHBondContact O-N 2.89Å; I270-N272 PolarHBondContact O-N 3.1Å
273Y94.6Very high89.7Confident61 Ų6153.3 Ų53.324%0.23928%0.28CS..SBendtrans-107.7138.9-179.8-64.6-86.3000111.8T223 K224 L269 I270 E277 I278 L281T223-Y273 WeakPolarHBondContact CB-O 3.47Å; K224-Y273 VanDerWaalsContact CB-C 3.49Å; K224-Y273 WeakPolarHBondContact CB-O 2.94Å; K224-Y273 PolarHBondContact N-O 3.46Å; L269-Y273 VanDerWaalsContact O-CD2 3.27Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; I270-Y273 PolarHBondContact O-N 3.45Å; Y273-E277 WeakPolarHBondContact CA-OE2 3.39Å; Y273-E277 HydrophobicContact CD1-CB 4.29Å; Y273-I278 HydrophobicContact CG-CG1 4.28Å; Y273-L281 HydrophobicContact CD1-CD1 4.39Å; Y273-L281 HydrophobicContact CE1-CD1 4.11Å
274Q95Very high88.3Confident76 Ų7656 Ų5636%0.35529%0.29SS..  trans-68.2151.2162.8-63.6175.376.100109.8K224 D225 S276 E277 I278K224-Q274 HydrophobicContact CB-CG 4.42Å; K224-Q274 HydrophobicContact CD-CG 4.4Å; D225-Q274 HydrophobicContact CB-CG 4.43Å; D225-Q274 VanDerWaalsContact OD1-CA 3.28Å; D225-Q274 WeakPolarHBondContact OD1-CA 3.32Å; Q274-S276 PolarHBondContact O-N 3.33Å; Q274-E277 HydrophobicContact CB-CB 4.47Å; Q274-E277 HydrophobicContact CB-CG 4.05Å; Q274-E277 PolarHBondContact N-OE2 3.01Å; Q274-E277 PolarHBondContact NE2-OE1 3.07Å; Q274-E277 WeakPolarHBondContact O-CB 3.14Å; Q274-E277 PolarHBondContact O-N 3.38Å; Q274-I278 PolarHBondContact O-N 2.92Å; Q274-I278 VanDerWaalsContact O-N 3.15Å
275L92.7Very high86.3Confident17 Ų1754.7 Ų54.79%0.08929%0.288CS..Hα-helixtrans-54.1-41.9175.3179.366.7000111.8T223 D225 E227 V229 E277 I278 R279 L322T223-L275 HydrophobicContact CG2-CB 4.37Å; D225-L275 PolarHBondContact OD1-N 2.97Å; E227-L275 HydrophobicContact CB-CB 4.37Å; E227-L275 HydrophobicContact CB-CD2 4.31Å; E227-L275 HydrophobicContact CG-CB 4.27Å; E227-L275 HydrophobicContact CG-CD2 4.04Å; V229-L275 HydrophobicContact CG1-CD1 3.82Å; L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 3.45Å; L275-I278 PolarHBondContact O-N 2.81Å; L275-R279 HydrophobicContact CD1-CG 4.33Å; L275-R279 HydrophobicContact CG-CG 4.31Å; L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.33Å; L275-R279 PolarHBondContact O-N 2.94Å; L275-L322 HydrophobicContact CD1-CD2 4.12Å; L275-L322 HydrophobicContact CD2-CD1 3.88Å; L275-L322 HydrophobicContact CD2-CD2 3.87Å; L275-L322 HydrophobicContact CD2-CG 4.23Å
276S90.8Very high84.2Confident72 Ų7255.9 Ų55.950%0.50330%0.295SS..Hα-helixtrans-61.4-34.1179.161.90000113.1Q274 S280Q274-S276 PolarHBondContact O-N 3.33Å; S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 2.86Å
277E90.9Very high82Confident71 Ų7156.7 Ų56.733%0.33231%0.306SS..Hα-helixtrans-69-48.5176.4-66.4164.8170.200110.3Y273 Q274 L275 R279 S280 L281Y273-E277 WeakPolarHBondContact CA-OE2 3.39Å; Y273-E277 HydrophobicContact CD1-CB 4.29Å; Q274-E277 HydrophobicContact CB-CB 4.47Å; Q274-E277 HydrophobicContact CB-CG 4.05Å; Q274-E277 PolarHBondContact N-OE2 3.01Å; Q274-E277 PolarHBondContact NE2-OE1 3.07Å; Q274-E277 WeakPolarHBondContact O-CB 3.14Å; Q274-E277 PolarHBondContact O-N 3.38Å; L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 3.45Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.24Å; E277-S280 PolarHBondContact O-N 3.45Å; E277-S280 VanDerWaalsContact O-N 3.16Å; E277-L281 WeakPolarHBondContact O-CG 3.41Å; E277-L281 PolarHBondContact O-N 2.81Å
278I90.5Very high79.8Confident0 Ų055.8 Ų55.80%030%0.301CS..Hα-helixtrans-55.7-48.3175-63.8174.5000110.4T223 L236 I270 Y273 Q274 L275 S280 L281 L282 I320T223-I278 HydrophobicContact CG2-CD1 3.77Å; L236-I278 HydrophobicContact CD1-CG1 4.37Å; L236-I278 HydrophobicContact CD1-CG2 3.85Å; I270-I278 HydrophobicContact CG2-CD1 4.16Å; Y273-I278 HydrophobicContact CG-CG1 4.28Å; Q274-I278 PolarHBondContact O-N 2.92Å; Q274-I278 VanDerWaalsContact O-N 3.15Å; L275-I278 PolarHBondContact O-N 2.81Å; I278-S280 VanDerWaalsContact C-N 3.33Å; I278-S280 PolarHBondContact O-N 2.55Å; I278-L281 PolarHBondContact O-N 2.68Å; I278-L282 HydrophobicContact CG2-CD1 3.85Å; I278-L282 WeakPolarHBondContact O-CG 3.2Å; I278-L282 PolarHBondContact O-N 3.26Å; I278-I320 HydrophobicContact CG2-CD1 3.96Å; I278-I320 HydrophobicContact CG2-CG2 4.43Å
279R87.3Confident77.5Confident24 Ų2456 Ų569%0.09130%0.302CS..Hα-helixtrans-62.3-40.4179.3-68.3-58.4-175.7-157.4-6112.4L275 E277 L282 R283 I289 P319 I320L275-R279 HydrophobicContact CD1-CG 4.33Å; L275-R279 HydrophobicContact CG-CG 4.31Å; L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.33Å; L275-R279 PolarHBondContact O-N 2.94Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.24Å; R279-L282 PolarHBondContact O-N 2.94Å; R279-R283 PolarHBondContact O-N 3.43Å; R279-I289 HydrophobicContact CB-CD1 4.11Å; R279-I289 HydrophobicContact CB-CG1 4.48Å; R279-I289 HydrophobicContact CB-CG2 3.68Å; R279-I289 HydrophobicContact CG-CG2 3.96Å; R279-I289 WeakPolarHBondContact O-CD1 3Å; R279-P319 PolarHBondContact NH1-O 2.9Å; R279-I320 PolarHBondContact NH1-O 2.65Å; R279-I320 PolarHBondContact NH2-O 3.2Å
280S83.9Confident75Confident78 Ų7856.9 Ų56.955%0.54531%0.31SS..Hα-helixtrans-63.7-41.2176.8-172.30000111.8S276 E277 I278 R283S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 2.86Å; E277-S280 PolarHBondContact O-N 3.45Å; E277-S280 VanDerWaalsContact O-N 3.16Å; I278-S280 VanDerWaalsContact C-N 3.33Å; I278-S280 PolarHBondContact O-N 2.55Å; S280-R283 WeakPolarHBondContact O-CB 3.5Å; S280-R283 PolarHBondContact O-N 2.73Å
281L84Confident72.5Confident51 Ų5160.9 Ų60.927%0.26734%0.337SS..Hα-helixtrans-63.9-42.2177.4-71.1170.1000112.3L236 F252 Y273 E277 I278 R283L236-L281 HydrophobicContact CD2-CD1 3.82Å; F252-L281 HydrophobicContact CD2-CD2 4.03Å; F252-L281 HydrophobicContact CE2-CD2 4.08Å; F252-L281 PolarHBondContact N-O 3.34Å; Y273-L281 HydrophobicContact CD1-CD1 4.39Å; Y273-L281 HydrophobicContact CE1-CD1 4.11Å; E277-L281 WeakPolarHBondContact O-CG 3.41Å; E277-L281 PolarHBondContact O-N 2.81Å; I278-L281 PolarHBondContact O-N 2.68Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 2.84Å
282L81.8Confident69.9Low21 Ų2163.1 Ų63.111%0.1136%0.357CS..THydrogen-bonded Turntrans-89.111-176.3-58.6178.1000113.9V238 L254 I278 R279 K284 P319 I320V238-L282 HydrophobicContact CG1-CD2 4.2Å; L254-L282 HydrophobicContact CD2-CD1 3.9Å; L254-L282 HydrophobicContact CD2-CD2 3.85Å; L254-L282 HydrophobicContact CG-CD1 4.3Å; L254-L282 HydrophobicContact CG-CD2 4.19Å; I278-L282 HydrophobicContact CG2-CD1 3.85Å; I278-L282 WeakPolarHBondContact O-CG 3.2Å; I278-L282 PolarHBondContact O-N 3.26Å; R279-L282 PolarHBondContact O-N 2.94Å; L282-K284 PolarHBondContact O-N 2.78Å; L282-P319 HydrophobicContact CD1-CB 4.43Å; L282-P319 HydrophobicContact CD1-CG 3.92Å; L282-I320 HydrophobicContact CD1-CD1 3.99Å; L282-I320 HydrophobicContact CD1-CG1 4.35Å
283R70.5Confident67.7Low115 Ų11565.7 Ų65.743%0.43437%0.37SS..  trans-57.1124.3-176.4-174.9172.6169.3179.2-1.2111T251 R279 S280 L281 I289T251-R283 WeakPolarHBondContact CB-O 3.3Å; T251-R283 WeakPolarHBondContact CG2-O 3.31Å; R279-R283 PolarHBondContact O-N 3.43Å; S280-R283 WeakPolarHBondContact O-CB 3.5Å; S280-R283 PolarHBondContact O-N 2.73Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 2.84Å; R283-I289 HydrophobicContact CB-CD1 4Å; R283-I289 HydrophobicContact CB-CG1 4.4Å; R283-I289 HydrophobicContact CG-CD1 4.01Å; R283-I289 HydrophobicContact CG-CG1 4.22Å
284K60.2Low65.8Low104 Ų10464.8 Ų64.845%0.45237%0.369SS..  trans-67.7136.3163.8-72-179.5179.9170.80108.8L282 N286 G287L282-K284 PolarHBondContact O-N 2.78Å; K284-N286 PolarHBondContact O-N 2.81Å; K284-G287 PolarHBondContact O-N 3.25Å
285V50.3Low63.8Low68 Ų6869 Ų6941%0.41239%0.392SS..THydrogen-bonded Turntrans-47.8-24.2179.7178.80000113T251 G287T251-V285 HydrophobicContact CG2-CG2 4.25Å; V285-G287 PolarHBondContact O-N 3.08Å
286N47.2Very low62.3Low140 Ų14071.6 Ų71.675%0.74940%0.404SS*.THydrogen-bonded Turntrans-91.920.1179.1-65.2-4.5000115.8K284 T288K284-N286 PolarHBondContact O-N 2.81Å; N286-T288 PolarHBondContact O-N 3.1Å
287G44.4Very low60.8Low39 Ų3973.5 Ų73.540%0.40242%0.417SS..  trans73.123147.800000118.6K284 V285K284-G287 PolarHBondContact O-N 3.25Å; V285-G287 PolarHBondContact O-N 3.08Å
288T42.2Very low60.2Low96 Ų9677 Ų7759%0.58943%0.434SS*.  trans-116.793.1165.6-33.60000108.9N286 G290N286-T288 PolarHBondContact O-N 3.1Å; T288-G290 VanDerWaalsContact C-N 3.32Å; T288-G290 PolarHBondContact O-N 3.09Å
289I42.9Very low60.1Low62 Ų6279.6 Ų79.632%0.31844%0.444SS..  trans-84.295.1152.6-67163.5000103.4R279 R283 C291R279-I289 HydrophobicContact CB-CD1 4.11Å; R279-I289 HydrophobicContact CB-CG1 4.48Å; R279-I289 HydrophobicContact CB-CG2 3.68Å; R279-I289 HydrophobicContact CG-CG2 3.96Å; R279-I289 WeakPolarHBondContact O-CD1 3Å; R283-I289 HydrophobicContact CB-CD1 4Å; R283-I289 HydrophobicContact CB-CG1 4.4Å; R283-I289 HydrophobicContact CG-CD1 4.01Å; R283-I289 HydrophobicContact CG-CG1 4.22Å; I289-C291 PolarHBondContact O-N 3.38Å
290G41.7Very low60.4Low18 Ų1880 Ų8019%0.18645%0.449CS..  trans-83.454.4-174.300000112.2T288 A292 K315T288-G290 VanDerWaalsContact C-N 3.32Å; T288-G290 PolarHBondContact O-N 3.09Å; G290-A292 PolarHBondContact O-N 2.78Å; G290-K315 VanDerWaalsContact O-CE 3.25Å; G290-K315 WeakPolarHBondContact O-CE 3.26Å; G290-K315 PolarHBondContact O-NZ 2.92Å
291C42.6Very low60.9Low84 Ų8480.8 Ų80.857%0.56846%0.455SS*.  trans-62.471.2153.7-67.50000108.5I289I289-C291 PolarHBondContact O-N 3.38Å
292A39.4Very low61.3Low55 Ų5580.9 Ų80.946%0.45546%0.459SS..  trans-84.9116.1145.900000103.1G290 I294G290-A292 PolarHBondContact O-N 2.78Å; A292-I294 WeakPolarHBondContact O-CG1 3.45Å; A292-I294 PolarHBondContact O-N 3.26Å
293N49.1Very low62Low127 Ų12781.2 Ų81.268%0.67946%0.461SS*.  trans-49.6100.8153.2-77.5-29000105I295N293-I295 PolarHBondContact O-N 2.71Å
294I54Low63.1Low43 Ų4379 Ų7922%0.22146%0.46CS..  trans-73.496.7178.9-51.7-173.4000103.9A292 Q296 Q329A292-I294 WeakPolarHBondContact O-CG1 3.45Å; A292-I294 PolarHBondContact O-N 3.26Å; I294-Q296 HydrophobicContact CG2-CB 3.64Å; I294-Q296 HydrophobicContact CG2-CG 3.93Å; I294-Q296 PolarHBondContact O-N 3.18Å; I294-Q329 VanDerWaalsContact CD1-CD 3.49Å; I294-Q329 HydrophobicContact CD1-CG 3.96Å
295I53.4Low64.7Low163 Ų16378.7 Ų78.784%0.83646%0.461SS*.  trans-75.666.2166.3-50.7175.1000105.5N293 S297N293-I295 PolarHBondContact O-N 2.71Å; I295-S297 PolarHBondContact O-N 3.28Å
296Q60.3Low66.8Low72 Ų7283 Ų8334%0.33648%0.482SS..  trans-81.3115.4176.3-130.3168.5-20.500107.7I294 Q298 Y328I294-Q296 HydrophobicContact CG2-CB 3.64Å; I294-Q296 HydrophobicContact CG2-CG 3.93Å; I294-Q296 PolarHBondContact O-N 3.18Å; Q296-Q298 WeakPolarHBondContact CG-O 3.28Å; Q296-Q298 PolarHBondContact O-N 3.17Å; Q296-Y328 PolarHBondContact OE1-O 3.32Å
297S60.7Low69Low112 Ų11279.1 Ų79.178%0.78346%0.461SS*.SBendtrans-71.7-13174.556.30000112.8I295I295-S297 PolarHBondContact O-N 3.28Å
298Q78.4Confident71.4Confident145 Ų14582.6 Ų82.668%0.67848%0.476SS*.SBendtrans-145.4137.3-173.6-65.2-1788.800111.7Q296Q296-Q298 WeakPolarHBondContact CG-O 3.28Å; Q296-Q298 PolarHBondContact O-N 3.17Å
299Y88.7Confident73.8Confident55 Ų5583.4 Ų83.422%0.21648%0.476CS..PPolyproline II helixtrans-72145.2171.2-55.9-80.1000110.6F327 Y328 T332 H389 G391Y299-F327 VanDerWaalsContact CD1-O 3.31Å; Y299-F327 WeakPolarHBondContact CD1-O 3.3Å; Y299-Y328 HydrophobicContact CD1-CD1 4.31Å; Y299-Y328 AromaticContact CE1-CD1 3.72Å; Y299-Y328 HydrophobicContact CE1-CD1 3.72Å; Y299-Y328 HydrophobicContact CE1-CE1 4.08Å; Y299-T332 HydrophobicContact CD1-CG2 4.05Å; Y299-T332 HydrophobicContact CD2-CG2 3.48Å; Y299-T332 VanDerWaalsContact CD2-CG2 3.48Å; Y299-T332 HydrophobicContact CE2-CG2 4.07Å; Y299-T332 HydrophobicContact CG-CG2 3.49Å; Y299-T332 VanDerWaalsContact CG-CG2 3.49Å; Y299-H389 PolarHBondContact OH-O 2.9Å; Y299-H389 VanDerWaalsContact OH-O 3.09Å; Y299-G391 WeakPolarHBondContact OH-CA 3.5Å; Y299-G391 PolarHBondContact OH-N 2.84Å; Y299-G391 VanDerWaalsContact OH-N 3.09Å
300P92.7Very high76.1Confident31 Ų3181 Ų8120%0.20147%0.465CS..PPolyproline II helixtrans-68.1159.8178.828.8-36.1000112Y328 T330 S331P300-Y328 WeakPolarHBondContact CD-O 3.37Å; P300-T330 WeakPolarHBondContact CD-O 3.39Å; P300-S331 VanDerWaalsContact O-CA 3.25Å; P300-S331 WeakPolarHBondContact O-CA 3.33Å; P300-S331 VanDerWaalsContact O-CB 3.29Å; P300-S331 WeakPolarHBondContact O-CB 3.41Å; P300-S331 PolarHBondContact O-OG 3.42Å
301S93.6Very high78.3Confident96 Ų9684.7 Ų84.767%0.67148%0.48SS*.PPolyproline II helixtrans-65.7152.9167.6-56.20000110.9R206 L303R206-S301 PolarHBondContact NH1-O 3.37Å; S301-L303 PolarHBondContact O-N 2.81Å
302P94.2Very high80.3Confident52 Ų5282.7 Ų82.734%0.33846%0.463SS..PPolyproline II helixtrans-60.6135.2174.4-14.124.6000110.8E209 S331 N333E209-P302 HydrophobicContact CG-CB 4.32Å; P302-S331 WeakPolarHBondContact CD-OG 3.28Å; P302-S331 WeakPolarHBondContact CG-OG 3.37Å; P302-N333 HydrophobicContact CG-CB 4.09Å; P302-N333 VanDerWaalsContact CG-ND2 3.26Å; P302-N333 WeakPolarHBondContact CG-ND2 3.29Å
303L95.9Very high82.2Confident29 Ų2986.5 Ų86.515%0.15247%0.471CS..PPolyproline II helixtrans-69.2151.4168-67.3177.4000111.5R206 E209 Q210 S301 D307 P310R206-L303 HydrophobicContact CB-CD1 3.8Å; R206-L303 HydrophobicContact CG-CD1 4.46Å; R206-L303 VanDerWaalsContact CZ-CG 3.49Å; R206-L303 WeakPolarHBondContact O-CD1 3.34Å; E209-L303 WeakPolarHBondContact OE2-CB 3.33Å; E209-L303 WeakPolarHBondContact OE2-CG 3.21Å; E209-L303 PolarHBondContact OE2-N 3.41Å; Q210-L303 HydrophobicContact CB-CB 3.85Å; Q210-L303 HydrophobicContact CB-CD1 4.38Å; Q210-L303 HydrophobicContact CG-CB 4.14Å; S301-L303 PolarHBondContact O-N 2.81Å; L303-D307 HydrophobicContact CD2-CB 3.8Å; L303-P310 HydrophobicContact CD1-CG 4.03Å
304T94.1Very high83.8Confident68 Ų6881.3 Ų81.342%0.41745%0.448SS..  trans-123.7163.1176.171.80000109.6Q210 N306 D307Q210-T304 WeakPolarHBondContact CG-O 3.34Å; Q210-T304 PolarHBondContact NE2-O 3Å; T304-N306 PolarHBondContact O-N 3.33Å; T304-N306 PolarHBondContact OG1-N 2.75Å; T304-D307 WeakPolarHBondContact CA-OD2 3.09Å; T304-D307 WeakPolarHBondContact CB-OD2 3.2Å; T304-D307 PolarHBondContact N-OD2 2.63Å; T304-D307 WeakPolarHBondContact O-CB 3.03Å; T304-D307 PolarHBondContact O-N 2.84Å; T304-D307 PolarHBondContact OG1-OD2 2.67Å
305M92.2Very high85.2Confident98 Ų9883.8 Ų83.848%0.48346%0.457SS..THydrogen-bonded Turntrans-59.2-13.7175.6-69-59.6-63.100114.6Q210 L211Q210-M305 HydrophobicContact CG-SD 4.4Å; L211-M305 HydrophobicContact CD2-SD 4.16Å
306N94Very high86.7Confident158 Ų15879.1 Ų79.185%0.84543%0.432SS*.THydrogen-bonded Turntrans-88.9-15.4175.9-64.2-34.3000113.2T304T304-N306 PolarHBondContact O-N 3.33Å; T304-N306 PolarHBondContact OG1-N 2.75Å
307D95Very high87.9Confident59 Ų5975.9 Ų75.932%0.31642%0.418SS..SBendtrans-73.7158.4176.5-65.9-66.6000110.9Q210 L303 T304 I309Q210-D307 PolarHBondContact NE2-O 3.14Å; L303-D307 HydrophobicContact CD2-CB 3.8Å; T304-D307 WeakPolarHBondContact CA-OD2 3.09Å; T304-D307 WeakPolarHBondContact CB-OD2 3.2Å; T304-D307 PolarHBondContact N-OD2 2.63Å; T304-D307 WeakPolarHBondContact O-CB 3.03Å; T304-D307 PolarHBondContact O-N 2.84Å; T304-D307 PolarHBondContact OG1-OD2 2.67Å; D307-I309 PolarHBondContact O-N 3.07Å
308P94.1Very high89.1Confident111 Ų11172.5 Ų72.572%0.72139%0.389SS*.PPolyproline II helixtrans-57.7137.4173.8-24.334.7000112Q210Q210-P308 PolarHBondContact NE2-O 2.82Å
309I92Very high89.5Confident114 Ų11466.5 Ų66.559%0.58536%0.363SS*.PPolyproline II helixtrans-59.3129.5174.3-62.1176000109W197 D307W197-I309 HydrophobicContact CH2-CG2 3.63Å; W197-I309 HydrophobicContact CZ2-CG2 3.83Å; D307-I309 PolarHBondContact O-N 3.07Å
310P91.8Very high89.6Confident12 Ų1264.1 Ų64.18%0.07835%0.354CS..PPolyproline II helixtrans-55.9142.4178.4-25.633000112.6W197 C203 R206 R207 Q210 L303 I312W197-P310 HydrophobicContact CH2-CB 4.09Å; W197-P310 HydrophobicContact CH2-CG 4.35Å; W197-P310 WeakPolarHBondContact CH2-O 3.29Å; W197-P310 HydrophobicContact CZ3-CB 3.92Å; W197-P310 HydrophobicContact CZ3-CG 4.48Å; C203-P310 HydrophobicContact CB-CB 4.13Å; R206-P310 HydrophobicContact CB-CB 4.26Å; R206-P310 HydrophobicContact CB-CG 3.79Å; R207-P310 HydrophobicContact CB-CG 4.49Å; Q210-P310 VanDerWaalsContact OE1-CD 3.26Å; L303-P310 HydrophobicContact CD1-CG 4.03Å; P310-I312 PolarHBondContact O-N 2.79Å
311N87.5Confident89.6Confident94 Ų9462.9 Ų62.950%0.50335%0.346SS..  trans-86.1106.3-171.1-178.7-0.8000111.7H313 G314N311-H313 PolarHBondContact O-N 3.21Å; N311-H313 WeakPolarHBondContact OD1-CA 3.41Å; N311-H313 PolarHBondContact OD1-N 2.81Å; N311-G314 PolarHBondContact O-N 3.46Å; N311-G314 PolarHBondContact OD1-N 2.93Å
312I84.3Confident89.7Confident42 Ų4258.7 Ų58.722%0.21532%0.316CS..THydrogen-bonded Turntrans-64.2-5.2176.864167.8000114.9W197 P310 A317W197-I312 HydrophobicContact CD2-CG2 4.11Å; W197-I312 HydrophobicContact CE3-CG2 3.54Å; W197-I312 HydrophobicContact CH2-CG2 4.09Å; W197-I312 HydrophobicContact CZ3-CG2 3.52Å; P310-I312 PolarHBondContact O-N 2.79Å; I312-A317 WeakPolarHBondContact O-CB 3.32Å
313H80.6Confident89.8Confident135 Ų13556.2 Ų56.263%0.62530%0.3SS*.THydrogen-bonded Turntrans-114.3-2.4174.3-56.9-43.8000113N311N311-H313 PolarHBondContact O-N 3.21Å; N311-H313 WeakPolarHBondContact OD1-CA 3.41Å; N311-H313 PolarHBondContact OD1-N 2.81Å
314G81.5Confident89.7Confident19 Ų1956.4 Ų56.420%0.19630%0.3CS..SBendtrans-79.8-171-178.800000113.7N311 E316 A317N311-G314 PolarHBondContact O-N 3.46Å; N311-G314 PolarHBondContact OD1-N 2.93Å; G314-E316 VanDerWaalsContact C-N 3.32Å; G314-A317 PolarHBondContact O-N 3.34Å
315K83.3Confident89.7Confident94 Ų9454.3 Ų54.341%0.40929%0.286SS..G310 helixtrans-63.9-37.3177-172.3-177177.1-173.30112.1G290 A317 E318G290-K315 VanDerWaalsContact O-CE 3.25Å; G290-K315 WeakPolarHBondContact O-CE 3.26Å; G290-K315 PolarHBondContact O-NZ 2.92Å; K315-A317 PolarHBondContact O-N 3.48Å; K315-E318 VanDerWaalsContact O-CB 3.32Å; K315-E318 WeakPolarHBondContact O-CB 3.27Å; K315-E318 VanDerWaalsContact O-CG 3.32Å; K315-E318 WeakPolarHBondContact O-CG 3.28Å; K315-E318 PolarHBondContact O-N 3Å
316E85.3Confident89.9Confident65 Ų6549.7 Ų49.730%0.30426%0.263SS..G310 helixtrans-67.6-12.7178.5-64.8178.4166.300113.5I202 C203 G314I202-E316 HydrophobicContact CB-CB 3.99Å; I202-E316 HydrophobicContact CB-CG 4.36Å; I202-E316 HydrophobicContact CG2-CB 3.96Å; I202-E316 HydrophobicContact CG2-CG 3.85Å; I202-E316 PolarHBondContact N-O 2.85Å; I202-E316 VanDerWaalsContact N-O 3.17Å; C203-E316 HydrophobicContact CB-CB 3.8Å; C203-E316 PolarHBondContact N-O 3.27Å; G314-E316 VanDerWaalsContact C-N 3.32Å
317A86.6Confident89.9Confident5 Ų542.1 Ų42.14%0.04122%0.223CC..G310 helixtrans-96.77.217500000112.9P198 C203 I312 G314 K315P198-A317 HydrophobicContact CG-CB 4.11Å; C203-A317 HydrophobicContact CB-CB 4.47Å; I312-A317 WeakPolarHBondContact O-CB 3.32Å; G314-A317 PolarHBondContact O-N 3.34Å; K315-A317 PolarHBondContact O-N 3.48Å
318E84.9Confident89.8Confident40 Ų4040.2 Ų40.219%0.18721%0.211CC..  trans-64.8135.5174.2-74.6177-16800110.5K315K315-E318 VanDerWaalsContact O-CB 3.32Å; K315-E318 WeakPolarHBondContact O-CB 3.27Å; K315-E318 VanDerWaalsContact O-CG 3.32Å; K315-E318 WeakPolarHBondContact O-CG 3.28Å; K315-E318 PolarHBondContact O-N 3Å
319P86.8Confident89.8Confident20 Ų2036.2 Ų36.213%0.1318%0.183CC..SBendtrans-67.9159.2-177.428.9-36000111.9L254 R279 L282L254-P319 HydrophobicContact CD1-CB 3.47Å; L254-P319 VanDerWaalsContact CD1-CB 3.47Å; L254-P319 HydrophobicContact CD1-CG 4.45Å; L254-P319 HydrophobicContact CG-CB 4.16Å; R279-P319 PolarHBondContact NH1-O 2.9Å; L282-P319 HydrophobicContact CD1-CB 4.43Å; L282-P319 HydrophobicContact CD1-CG 3.92Å
320I90.2Very high90Very high4 Ų430.8 Ų30.82%0.02116%0.155CC..SBendtrans5351.6173.6-48.9-171.8000112V229 L230 H231 L236 L254 I278 R279 L282V229-I320 HydrophobicContact CB-CG2 3.53Å; V229-I320 HydrophobicContact CG1-CG2 3.82Å; V229-I320 HydrophobicContact CG2-CG2 3.96Å; L230-I320 WeakPolarHBondContact O-CA 3.42Å; H231-I320 HydrophobicContact CB-CD1 4.4Å; H231-I320 HydrophobicContact CB-CG1 4.15Å; H231-I320 HydrophobicContact CB-CG2 4.49Å; L236-I320 HydrophobicContact CD1-CD1 3.22Å; L254-I320 HydrophobicContact CD1-CD1 4.22Å; L254-I320 HydrophobicContact CD1-CG1 3.98Å; L254-I320 HydrophobicContact CD2-CD1 3.85Å; L254-I320 HydrophobicContact CD2-CG1 4.49Å; I278-I320 HydrophobicContact CG2-CD1 3.96Å; I278-I320 HydrophobicContact CG2-CG2 4.43Å; R279-I320 PolarHBondContact NH1-O 2.65Å; R279-I320 PolarHBondContact NH2-O 3.2Å; L282-I320 HydrophobicContact CD1-CD1 3.99Å; L282-I320 HydrophobicContact CD1-CG1 4.35Å
321P92.9Very high90.1Very high5 Ų530.4 Ų30.43%0.03215%0.153CC..  trans-63.9163.3175.331.5-36.1000110.7N200 I202 V229 L230N200-P321 WeakPolarHBondContact O-CD 3.28Å; N200-P321 WeakPolarHBondContact O-CG 3.38Å; I202-P321 HydrophobicContact CD1-CB 4.1Å; I202-P321 HydrophobicContact CG1-CB 4.26Å; V229-P321 CarbonylContact C-O 3.56Å; V229-P321 WeakPolarHBondContact CA-O 3.26Å; L230-P321 HydrophobicContact CB-CG 4.09Å; L230-P321 HydrophobicContact CD1-CG 4.23Å; L230-P321 HydrophobicContact CG-CG 4.49Å; L230-P321 PolarHBondContact N-O 3.28Å
322L96.1Very high90.5Very high9 Ų927.6 Ų27.65%0.04714%0.139CC..BIsolated β-bridgetrans-78.4145.2170.5-64.2168.2000110.1E227 V228 V229 L275 K324 D325 A326E227-L322 HydrophobicContact CB-CD2 3.8Å; V228-L322 WeakPolarHBondContact O-CA 3.49Å; V228-L322 WeakPolarHBondContact O-CD2 3.38Å; V229-L322 HydrophobicContact CG1-CD2 3.77Å; L275-L322 HydrophobicContact CD1-CD2 4.12Å; L275-L322 HydrophobicContact CD2-CD1 3.88Å; L275-L322 HydrophobicContact CD2-CD2 3.87Å; L275-L322 HydrophobicContact CD2-CG 4.23Å; L322-K324 VanDerWaalsContact C-N 3.25Å; L322-K324 HydrophobicContact CB-CG 3.99Å; L322-K324 HydrophobicContact CD1-CD 4.43Å; L322-K324 VanDerWaalsContact CD1-CE 3.5Å; L322-K324 PolarHBondContact O-N 3.47Å; L322-D325 HydrophobicContact CB-CB 4.16Å; L322-D325 WeakPolarHBondContact O-CB 3.48Å; L322-D325 PolarHBondContact O-N 3.34Å; L322-A326 PolarHBondContact O-N 2.96Å
323L97Very high91.1Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-58.8-39.7175.5176.162.8000111.3V228 L230 D325 A326 F327 V338 T385 I386V228-L323 HydrophobicContact CB-CB 4.29Å; V228-L323 HydrophobicContact CG1-CB 3.82Å; V228-L323 HydrophobicContact CG1-CD2 3.87Å; V228-L323 PolarHBondContact O-N 3.02Å; L230-L323 HydrophobicContact CD1-CD1 4.42Å; L230-L323 HydrophobicContact CD2-CB 3.92Å; L230-L323 HydrophobicContact CD2-CD1 3.84Å; L230-L323 HydrophobicContact CD2-CG 4.4Å; L230-L323 HydrophobicContact CG-CB 4.34Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 2.75Å; L323-A326 WeakPolarHBondContact O-CB 3.44Å; L323-A326 PolarHBondContact O-N 3.41Å; L323-F327 HydrophobicContact CD1-CE1 3.88Å; L323-F327 HydrophobicContact CD1-CE2 3.89Å; L323-F327 HydrophobicContact CD1-CZ 3.53Å; L323-F327 HydrophobicContact CD2-CE2 4Å; L323-F327 HydrophobicContact CD2-CZ 4.06Å; L323-F327 HydrophobicContact CG-CD2 4.23Å; L323-F327 HydrophobicContact CG-CE1 4.49Å; L323-F327 HydrophobicContact CG-CE2 3.58Å; L323-F327 HydrophobicContact CG-CZ 3.74Å; L323-F327 WeakPolarHBondContact O-CD2 3.13Å; L323-F327 WeakPolarHBondContact O-CG 3.28Å; L323-F327 PolarHBondContact O-N 3.29Å; L323-V338 HydrophobicContact CD1-CG2 4.37Å; L323-V338 HydrophobicContact CD2-CG1 4.37Å; L323-T385 HydrophobicContact CB-CG2 4.16Å; L323-T385 HydrophobicContact CD2-CG2 4Å; L323-T385 HydrophobicContact CG-CG2 4.17Å; L323-I386 HydrophobicContact CD2-CG1 4.16Å
324K94.5Very high91.9Very high33 Ų3324 Ų2414%0.14313%0.125CC..Hα-helixtrans-60.1-37.7174.874.6-165.5-173.9-154.90112.7E227 L322 F327 Y328 T385 H389E227-K324 IonicContact OE1-NZ 3.61Å; E227-K324 IonicContact OE2-NZ 2.74Å; E227-K324 PolarHBondContact OE2-NZ 3.06Å; L322-K324 VanDerWaalsContact C-N 3.25Å; L322-K324 HydrophobicContact CB-CG 3.99Å; L322-K324 HydrophobicContact CD1-CD 4.43Å; L322-K324 VanDerWaalsContact CD1-CE 3.5Å; L322-K324 PolarHBondContact O-N 3.47Å; K324-F327 PolarHBondContact O-N 2.8Å; K324-Y328 VanDerWaalsContact O-CD2 3.26Å; K324-Y328 WeakPolarHBondContact O-CD2 3.44Å; K324-Y328 PolarHBondContact O-N 3.5Å; K324-T385 HydrophobicContact CB-CG2 4.31Å; K324-H389 HydrophobicContact CB-CB 3.93Å
325D93.4Very high92.7Very high24 Ų2423.4 Ų23.413%0.12812%0.118CC..Hα-helixtrans-71-36.7178.9-71-17000111.1I202 L322 L323 Y328 Q329I202-D325 HydrophobicContact CD1-CB 4.49Å; L322-D325 HydrophobicContact CB-CB 4.16Å; L322-D325 WeakPolarHBondContact O-CB 3.48Å; L322-D325 PolarHBondContact O-N 3.34Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 2.75Å; D325-Y328 PolarHBondContact O-N 3.3Å; D325-Q329 VanDerWaalsContact O-CB 3.27Å; D325-Q329 WeakPolarHBondContact O-CB 3.44Å; D325-Q329 WeakPolarHBondContact O-CG 3.41Å; D325-Q329 PolarHBondContact O-N 2.83Å; D325-Q329 PolarHBondContact O-NE2 2.99Å; D325-Q329 VanDerWaalsContact O-NE2 3.08Å
326A95.7Very high93.4Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-63.2-40.5172.800000111.7F205 L230 L322 L323 T330 F336F205-A326 HydrophobicContact CD2-CB 3.95Å; F205-A326 HydrophobicContact CE2-CB 3.84Å; L230-A326 HydrophobicContact CD1-CB 3.73Å; L322-A326 PolarHBondContact O-N 2.96Å; L323-A326 WeakPolarHBondContact O-CB 3.44Å; L323-A326 PolarHBondContact O-N 3.41Å; A326-T330 WeakPolarHBondContact O-CB 3.36Å; A326-T330 VanDerWaalsContact O-CG2 3.28Å; A326-T330 WeakPolarHBondContact O-CG2 3.45Å; A326-T330 PolarHBondContact O-N 2.98Å; A326-T330 PolarHBondContact O-OG1 3.01Å; A326-F336 HydrophobicContact CB-CE1 4.41Å; A326-F336 HydrophobicContact CB-CZ 4.47Å
327F95Very high94Very high0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-64.2-48.7173.6-64.2-38.4000112.3Y299 L323 K324 Q329 T330 F336 I386 H389 A390 R393Y299-F327 VanDerWaalsContact CD1-O 3.31Å; Y299-F327 WeakPolarHBondContact CD1-O 3.3Å; L323-F327 HydrophobicContact CD1-CE1 3.88Å; L323-F327 HydrophobicContact CD1-CE2 3.89Å; L323-F327 HydrophobicContact CD1-CZ 3.53Å; L323-F327 HydrophobicContact CD2-CE2 4Å; L323-F327 HydrophobicContact CD2-CZ 4.06Å; L323-F327 HydrophobicContact CG-CD2 4.23Å; L323-F327 HydrophobicContact CG-CE1 4.49Å; L323-F327 HydrophobicContact CG-CE2 3.58Å; L323-F327 HydrophobicContact CG-CZ 3.74Å; L323-F327 WeakPolarHBondContact O-CD2 3.13Å; L323-F327 WeakPolarHBondContact O-CG 3.28Å; L323-F327 PolarHBondContact O-N 3.29Å; K324-F327 PolarHBondContact O-N 2.8Å; F327-Q329 VanDerWaalsContact C-N 3.29Å; F327-Q329 PolarHBondContact O-N 3.43Å; F327-T330 PolarHBondContact O-N 3.07Å; F327-T330 VanDerWaalsContact O-O 3.11Å; F327-F336 HydrophobicContact CD1-CD2 4.07Å; F327-F336 HydrophobicContact CD1-CE2 4.1Å; F327-F336 HydrophobicContact CD1-CG 4.48Å; F327-F336 HydrophobicContact CD1-CZ 4.49Å; F327-F336 HydrophobicContact CE1-CB 4.26Å; F327-F336 HydrophobicContact CE1-CD1 4.37Å; F327-F336 AromaticContact CE1-CD2 3.85Å; F327-F336 HydrophobicContact CE1-CD2 3.85Å; F327-F336 HydrophobicContact CE1-CE2 4.31Å; F327-F336 AromaticContact CE1-CG 3.89Å; F327-F336 HydrophobicContact CE1-CG 3.89Å; F327-I386 HydrophobicContact CE2-CG1 4.29Å; F327-I386 HydrophobicContact CZ-CG1 4.2Å; F327-H389 VanDerWaalsContact CB-O 3.24Å; F327-H389 WeakPolarHBondContact CB-O 3.29Å; F327-H389 HydrophobicContact CD2-CB 4.03Å; F327-A390 HydrophobicContact CD1-CB 4.3Å; F327-A390 HydrophobicContact CD2-CB 3.99Å; F327-A390 HydrophobicContact CE1-CB 4.12Å; F327-A390 HydrophobicContact CE2-CB 3.79Å; F327-A390 HydrophobicContact CG-CB 4.24Å; F327-A390 HydrophobicContact CZ-CB 3.86Å; F327-R393 PolarHBondContact O-NH2 3.32Å
328Y92.9Very high94.6Very high18 Ų1815.6 Ų15.67%0.0718%0.082CC..Hα-helixtrans-67.2-29-178.2-70.3-41.5000113.9Q153 Q296 Y299 P300 K324 D325 H389Q153-Y328 VanDerWaalsContact CD-OH 3.29Å; Q153-Y328 PolarHBondContact NE2-OH 3.44Å; Q153-Y328 PolarHBondContact OE1-OH 3.17Å; Q296-Y328 PolarHBondContact OE1-O 3.32Å; Y299-Y328 HydrophobicContact CD1-CD1 4.31Å; Y299-Y328 AromaticContact CE1-CD1 3.72Å; Y299-Y328 HydrophobicContact CE1-CD1 3.72Å; Y299-Y328 HydrophobicContact CE1-CE1 4.08Å; P300-Y328 WeakPolarHBondContact CD-O 3.37Å; K324-Y328 VanDerWaalsContact O-CD2 3.26Å; K324-Y328 WeakPolarHBondContact O-CD2 3.44Å; K324-Y328 PolarHBondContact O-N 3.5Å; D325-Y328 PolarHBondContact O-N 3.3Å; Y328-H389 HydrophobicContact CE2-CB 4.34Å; Y328-H389 AromaticContact CE2-ND1 3.8Å; Y328-H389 AromaticContact CZ-ND1 3.54Å; Y328-H389 PolarHBondContact OH-ND1 3.04Å
329Q93.7Very high95.3Very high28 Ų2814.6 Ų14.613%0.1318%0.077CC..THydrogen-bonded Turntrans-97.47-177.1-68.8170.492.700114I202 R206 I294 D325 F327I202-Q329 HydrophobicContact CG2-CB 3.7Å; R206-Q329 WeakPolarHBondContact CD-O 3.44Å; I294-Q329 VanDerWaalsContact CD1-CD 3.49Å; I294-Q329 HydrophobicContact CD1-CG 3.96Å; D325-Q329 VanDerWaalsContact O-CB 3.27Å; D325-Q329 WeakPolarHBondContact O-CB 3.44Å; D325-Q329 WeakPolarHBondContact O-CG 3.41Å; D325-Q329 PolarHBondContact O-N 2.83Å; D325-Q329 PolarHBondContact O-NE2 2.99Å; D325-Q329 VanDerWaalsContact O-NE2 3.08Å; F327-Q329 VanDerWaalsContact C-N 3.29Å; F327-Q329 PolarHBondContact O-N 3.43Å
330T95.5Very high95.8Very high0 Ų013.7 Ų13.70%07%0.071CC..SBendtrans-125.2152.417459.60000111.1F205 R206 P300 A326 F327 L334 F336 R393F205-T330 HydrophobicContact CB-CG2 3.79Å; R206-T330 HydrophobicContact CG-CG2 4.32Å; P300-T330 WeakPolarHBondContact CD-O 3.39Å; A326-T330 WeakPolarHBondContact O-CB 3.36Å; A326-T330 VanDerWaalsContact O-CG2 3.28Å; A326-T330 WeakPolarHBondContact O-CG2 3.45Å; A326-T330 PolarHBondContact O-N 2.98Å; A326-T330 PolarHBondContact O-OG1 3.01Å; F327-T330 PolarHBondContact O-N 3.07Å; F327-T330 VanDerWaalsContact O-O 3.11Å; T330-L334 HydrophobicContact CG2-CD2 3.91Å; T330-F336 HydrophobicContact CG2-CZ 4.46Å; T330-R393 PolarHBondContact O-NH2 2.77Å; T330-R393 PolarHBondContact OG1-NH1 3.3Å
331S95.4Very high96.1Very high4 Ų414 Ų143%0.0287%0.073CC..  trans-64.8149.8177.4-168.30000111.3E209 P300 P302 N333 L334 R393E209-S331 WeakPolarHBondContact OE1-CA 3.07Å; E209-S331 WeakPolarHBondContact OE1-CB 3.45Å; E209-S331 PolarHBondContact OE1-N 3.24Å; P300-S331 VanDerWaalsContact O-CA 3.25Å; P300-S331 WeakPolarHBondContact O-CA 3.33Å; P300-S331 VanDerWaalsContact O-CB 3.29Å; P300-S331 WeakPolarHBondContact O-CB 3.41Å; P300-S331 PolarHBondContact O-OG 3.42Å; P302-S331 WeakPolarHBondContact CD-OG 3.28Å; P302-S331 WeakPolarHBondContact CG-OG 3.37Å; S331-N333 PolarHBondContact O-N 3.14Å; S331-N333 VanDerWaalsContact O-N 3.08Å; S331-N333 PolarHBondContact OG-N 3.38Å; S331-L334 WeakPolarHBondContact O-CB 3.24Å; S331-L334 PolarHBondContact O-N 3.04Å; S331-R393 PolarHBondContact O-NH1 2.87Å; S331-R393 PolarHBondContact O-NH2 3.25Å
332T95.5Very high96.2Very high34 Ų3414 Ų1421%0.2097%0.072CC..THydrogen-bonded Turntrans-63.1-10.7171.553.40000113.5Y299 L334 P392 R393Y299-T332 HydrophobicContact CD1-CG2 4.05Å; Y299-T332 HydrophobicContact CD2-CG2 3.48Å; Y299-T332 VanDerWaalsContact CD2-CG2 3.48Å; Y299-T332 HydrophobicContact CE2-CG2 4.07Å; Y299-T332 HydrophobicContact CG-CG2 3.49Å; Y299-T332 VanDerWaalsContact CG-CG2 3.49Å; T332-L334 VanDerWaalsContact C-N 3.27Å; T332-P392 HydrophobicContact CG2-CG 3.98Å; T332-R393 WeakPolarHBondContact O-CB 3.35Å
333N95.9Very high96.1Very high101 Ų10113.6 Ų13.654%0.547%0.07SC..THydrogen-bonded Turntrans-72.9-20.8169.8-70.612.3000112.6P302 S331P302-N333 HydrophobicContact CG-CB 4.09Å; P302-N333 VanDerWaalsContact CG-ND2 3.26Å; P302-N333 WeakPolarHBondContact CG-ND2 3.29Å; S331-N333 PolarHBondContact O-N 3.14Å; S331-N333 VanDerWaalsContact O-N 3.08Å; S331-N333 PolarHBondContact OG-N 3.38Å
334L97.6Very high95.9Very high1 Ų114.1 Ų14.11%0.0057%0.072CC..SBendtrans-88.3112.3174.5-169.669.5000109.7F205 E209 V213 V216 T330 S331 T332 F336 R393F205-L334 HydrophobicContact CB-CD2 3.96Å; E209-L334 HydrophobicContact CB-CD1 4.33Å; E209-L334 HydrophobicContact CB-CD2 4.42Å; V213-L334 WeakPolarHBondContact O-CD1 3.24Å; V216-L334 HydrophobicContact CG1-CD1 4.04Å; V216-L334 HydrophobicContact CG1-CD2 4.4Å; V216-L334 HydrophobicContact CG2-CD1 4.49Å; V216-L334 HydrophobicContact CG2-CD2 4.1Å; V216-L334 HydrophobicContact CG2-CG 4.21Å; T330-L334 HydrophobicContact CG2-CD2 3.91Å; S331-L334 WeakPolarHBondContact O-CB 3.24Å; S331-L334 PolarHBondContact O-N 3.04Å; T332-L334 VanDerWaalsContact C-N 3.27Å; L334-F336 HydrophobicContact CD2-CE2 4.12Å; L334-F336 HydrophobicContact CD2-CZ 4.12Å; L334-F336 HydrophobicContact CG-CE2 4.2Å; L334-R393 WeakPolarHBondContact O-CD 2.96Å; L334-R393 PolarHBondContact O-NH1 3.06Å
335S97.9Very high95.7Very high6 Ų614.2 Ų14.24%0.0427%0.073CC..EExtended strand (participates in β ladder)trans-87.9161.7176.1-55.60000111.1T214 M215 V216 Y394T214-S335 VanDerWaalsContact O-CB 3.25Å; T214-S335 WeakPolarHBondContact O-CB 3.48Å; T214-S335 PolarHBondContact O-N 3.04Å; T214-S335 PolarHBondContact O-OG 2.71Å; M215-S335 VanDerWaalsContact CA-O 3.32Å; M215-S335 WeakPolarHBondContact CA-O 3.41Å; V216-S335 PolarHBondContact N-O 3.35Å; S335-Y394 VanDerWaalsContact CA-O 3.28Å; S335-Y394 WeakPolarHBondContact CA-O 3.33Å; S335-Y394 VanDerWaalsContact CB-O 3.22Å; S335-Y394 WeakPolarHBondContact CB-O 3.46Å; S335-Y394 WeakPolarHBondContact OG-CB 3.2Å; S335-Y394 WeakPolarHBondContact OG-CD2 3.28Å
336F98.6Very high95.7Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-128.2125.8-176.3-76.2-104.7000111.2F205 V216 A326 F327 T330 L334 V338 Y394 V395 I396F205-F336 HydrophobicContact CD1-CE1 4.33Å; F205-F336 HydrophobicContact CD2-CE1 4.2Å; F205-F336 HydrophobicContact CD2-CZ 4.41Å; F205-F336 HydrophobicContact CE1-CE1 4.38Å; F205-F336 HydrophobicContact CE2-CE1 4.26Å; F205-F336 HydrophobicContact CG-CE1 4.27Å; F205-F336 HydrophobicContact CG-CZ 4.39Å; F205-F336 HydrophobicContact CZ-CE1 4.36Å; V216-F336 HydrophobicContact CG2-CD1 3.64Å; V216-F336 HydrophobicContact CG2-CD2 4.37Å; V216-F336 HydrophobicContact CG2-CE1 3.56Å; V216-F336 HydrophobicContact CG2-CE2 4.27Å; V216-F336 HydrophobicContact CG2-CG 4.07Å; V216-F336 HydrophobicContact CG2-CZ 3.89Å; V216-F336 CarbonylContact O-C 3.47Å; V216-F336 WeakPolarHBondContact O-CA 3.5Å; A326-F336 HydrophobicContact CB-CE1 4.41Å; A326-F336 HydrophobicContact CB-CZ 4.47Å; F327-F336 HydrophobicContact CD1-CD2 4.07Å; F327-F336 HydrophobicContact CD1-CE2 4.1Å; F327-F336 HydrophobicContact CD1-CG 4.48Å; F327-F336 HydrophobicContact CD1-CZ 4.49Å; F327-F336 HydrophobicContact CE1-CB 4.26Å; F327-F336 HydrophobicContact CE1-CD1 4.37Å; F327-F336 AromaticContact CE1-CD2 3.85Å; F327-F336 HydrophobicContact CE1-CD2 3.85Å; F327-F336 HydrophobicContact CE1-CE2 4.31Å; F327-F336 AromaticContact CE1-CG 3.89Å; F327-F336 HydrophobicContact CE1-CG 3.89Å; T330-F336 HydrophobicContact CG2-CZ 4.46Å; L334-F336 HydrophobicContact CD2-CE2 4.12Å; L334-F336 HydrophobicContact CD2-CZ 4.12Å; L334-F336 HydrophobicContact CG-CE2 4.2Å; F336-V338 HydrophobicContact CB-CG2 4.03Å; F336-Y394 PolarHBondContact N-O 3.08Å; F336-Y394 VanDerWaalsContact N-O 3.08Å; F336-V395 CarbonylContact O-C 3.51Å; F336-V395 VanDerWaalsContact O-CA 3.25Å; F336-V395 WeakPolarHBondContact O-CA 3.17Å; F336-I396 PolarHBondContact O-N 2.61Å
337N98.6Very high95.5Very high1 Ų113.3 Ų13.31%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-86.2108153-177.8172.1000107.4V216 E217 C218 E339 I396 S398V216-N337 PolarHBondContact O-N 2.96Å; E217-N337 CarbonylContact C-O 3.58Å; E217-N337 VanDerWaalsContact CA-O 3.28Å; E217-N337 WeakPolarHBondContact CA-O 3.46Å; E217-N337 HydrophobicContact CB-CB 4.27Å; E217-N337 HydrophobicContact CG-CB 4.36Å; C218-N337 PolarHBondContact N-O 2.76Å; N337-E339 PolarHBondContact O-N 2.99Å; N337-I396 CarbonylContact C-O 3.51Å; N337-I396 WeakPolarHBondContact CA-O 3.43Å; N337-I396 HydrophobicContact CB-CB 4.21Å; N337-S398 PolarHBondContact ND2-OG 3.38Å
338V98.8Very high95.3Very high0 Ų013.3 Ų13.30%07%0.069CC..EExtended strand (participates in β ladder)trans-90.8103.4177.1-176.40000108.5A220 L323 F336 I340 V395 I396 L397 S398A220-V338 HydrophobicContact CB-CG1 3.48Å; A220-V338 VanDerWaalsContact CB-CG1 3.48Å; L323-V338 HydrophobicContact CD1-CG2 4.37Å; L323-V338 HydrophobicContact CD2-CG1 4.37Å; F336-V338 HydrophobicContact CB-CG2 4.03Å; V338-I340 PolarHBondContact O-N 3.28Å; V338-V395 HydrophobicContact CG2-CG1 3.94Å; V338-I396 PolarHBondContact N-O 3.22Å; V338-L397 HydrophobicContact CB-CD2 4.39Å; V338-S398 PolarHBondContact O-N 2.86Å
339E98.7Very high95.2Very high19 Ų1912.6 Ų12.69%0.0897%0.066CC..EExtended strand (participates in β ladder)trans-73.4119.2168.4-179.5174.5142.700109.3E217 C218 D219 A220 N337 K341 S398 I420E217-E339 VanDerWaalsContact OE1-CB 3.25Å; E217-E339 WeakPolarHBondContact OE1-CB 3.41Å; C218-E339 PolarHBondContact O-N 2.87Å; D219-E339 CarbonylContact C-O 3.53Å; A220-E339 PolarHBondContact N-O 2.73Å; N337-E339 PolarHBondContact O-N 2.99Å; E339-K341 HydrophobicContact CG-CD 3.76Å; E339-K341 PolarHBondContact O-N 3.11Å; E339-K341 WeakPolarHBondContact OE1-CD 3.27Å; E339-K341 VanDerWaalsContact OE1-CE 3.28Å; E339-K341 WeakPolarHBondContact OE1-CE 3.41Å; E339-K341 IonicContact OE1-NZ 3.93Å; E339-K341 PolarHBondContact OE1-NZ 2.95Å; E339-S398 CarbonylContact C-O 3.41Å; E339-S398 WeakPolarHBondContact CA-O 3.31Å; E339-S398 WeakPolarHBondContact CA-OG 3.36Å; E339-I420 HydrophobicContact CB-CD1 4.42Å; E339-I420 VanDerWaalsContact CD-CD1 3.49Å; E339-I420 HydrophobicContact CG-CD1 3.62Å; E339-I420 WeakPolarHBondContact OE2-CD1 3.49Å
340I98.3Very high95.1Very high1 Ų112.8 Ų12.81%0.0057%0.068CC..EExtended strand (participates in β ladder)trans-86.9107.5179.8-67.1172000108.2V338 Y342 F378 I382 L397 S398 S399 I404 L408V338-I340 PolarHBondContact O-N 3.28Å; I340-Y342 PolarHBondContact O-N 3.34Å; I340-Y342 VanDerWaalsContact O-N 3.09Å; I340-F378 HydrophobicContact CG2-CD1 3.75Å; I340-F378 HydrophobicContact CG2-CE1 3.4Å; I340-F378 VanDerWaalsContact CG2-CE1 3.4Å; I340-I382 HydrophobicContact CB-CD1 4.38Å; I340-I382 HydrophobicContact CD1-CD1 4.39Å; I340-I382 HydrophobicContact CD1-CG2 4.25Å; I340-I382 HydrophobicContact CG1-CD1 3.95Å; I340-I382 HydrophobicContact CG1-CG2 4.34Å; I340-I382 HydrophobicContact CG2-CD1 3.75Å; I340-L397 HydrophobicContact CD1-CB 4.42Å; I340-L397 HydrophobicContact CD1-CD2 4.21Å; I340-S398 PolarHBondContact N-O 3.34Å; I340-S399 PolarHBondContact O-OG 3.28Å; I340-I404 HydrophobicContact CB-CG2 4.17Å; I340-I404 HydrophobicContact CD1-CG2 4.46Å; I340-I404 HydrophobicContact CG2-CG2 3.72Å; I340-L408 HydrophobicContact CD1-CD1 3.29Å; I340-L408 HydrophobicContact CD1-CD2 4.07Å; I340-L408 HydrophobicContact CD1-CG 4.26Å
341K96.5Very high95Very high11 Ų1112.8 Ų12.85%0.0487%0.068CC..  trans-79.992.9-177.8-55.5-52.2-74.2-140.40110.5D219 A220 N221 H232 F234 E339 F378D219-K341 HydrophobicContact CB-CD 3.9Å; D219-K341 HydrophobicContact CB-CG 3.8Å; D219-K341 WeakPolarHBondContact OD1-CD 3.45Å; D219-K341 IonicContact OD1-NZ 3.61Å; D219-K341 PolarHBondContact OD1-NZ 3.35Å; A220-K341 WeakPolarHBondContact O-CB 3.3Å; A220-K341 PolarHBondContact O-N 3.36Å; N221-K341 VanDerWaalsContact ND2-CB 3.34Å; N221-K341 WeakPolarHBondContact ND2-CB 3.16Å; H232-K341 PolarHBondContact CD2-NZ 2.91Å; H232-K341 VanDerWaalsContact CD2-NZ 3.28Å; H232-K341 PolarHBondContact NE2-NZ 3.4Å; H232-K341 WeakPolarHBondContact O-CE 3.28Å; H232-K341 PolarHBondContact O-NZ 3.42Å; F234-K341 HydrophobicContact CD1-CB 4.37Å; F234-K341 HydrophobicContact CE1-CB 4.03Å; E339-K341 HydrophobicContact CG-CD 3.76Å; E339-K341 PolarHBondContact O-N 3.11Å; E339-K341 WeakPolarHBondContact OE1-CD 3.27Å; E339-K341 VanDerWaalsContact OE1-CE 3.28Å; E339-K341 WeakPolarHBondContact OE1-CE 3.41Å; E339-K341 IonicContact OE1-NZ 3.93Å; E339-K341 PolarHBondContact OE1-NZ 2.95Å; K341-F378 WeakPolarHBondContact O-CZ 3.5Å
342Y95.7Very high94.7Very high4 Ų412.9 Ų12.92%0.0167%0.069CC..  trans-124.5144.1170-163.2-95.3000109F234 I340 I344 P368 S369 F372 Y373 I375 F378 N401 I404F234-Y342 WeakPolarHBondContact CZ-O 3.29Å; I340-Y342 PolarHBondContact O-N 3.34Å; I340-Y342 VanDerWaalsContact O-N 3.09Å; Y342-I344 PolarHBondContact O-N 3.32Å; Y342-P368 HydrophobicContact CE1-CB 3.7Å; Y342-S369 PolarHBondContact OH-N 2.92Å; Y342-F372 HydrophobicContact CD2-CD1 4.08Å; Y342-F372 HydrophobicContact CE2-CB 4.08Å; Y342-F372 HydrophobicContact CE2-CD1 4.19Å; Y342-Y373 VanDerWaalsContact CE2-O 3.29Å; Y342-Y373 WeakPolarHBondContact CE2-O 3.35Å; Y342-Y373 PolarHBondContact OH-O 2.83Å; Y342-Y373 VanDerWaalsContact OH-O 3.08Å; Y342-I375 HydrophobicContact CE1-CD1 4.41Å; Y342-I375 HydrophobicContact CE1-CG1 4.1Å; Y342-I375 HydrophobicContact CE2-CG1 4.45Å; Y342-F378 AromaticContact CD2-CD1 3.89Å; Y342-F378 HydrophobicContact CD2-CD1 3.89Å; Y342-F378 HydrophobicContact CD2-CD2 4.45Å; Y342-F378 HydrophobicContact CD2-CE1 4.03Å; Y342-F378 HydrophobicContact CD2-CG 4.1Å; Y342-F378 HydrophobicContact CD2-CZ 4.4Å; Y342-N401 HydrophobicContact CD1-CB 4.06Å; Y342-I404 HydrophobicContact CD1-CD1 4.26Å; Y342-I404 HydrophobicContact CD1-CG1 3.9Å; Y342-I404 HydrophobicContact CD2-CD1 4Å; Y342-I404 HydrophobicContact CD2-CG1 4.44Å; Y342-I404 HydrophobicContact CG-CD1 3.83Å; Y342-I404 HydrophobicContact CG-CG1 3.77Å
343P93.4Very high94.4Very high0 Ų013.9 Ų13.90%07%0.071CC..  trans-51132.1176.5-27.534.7000110.4F234 V262 E345 P368 Y371 F372 N401F234-P343 HydrophobicContact CE1-CG 4.49Å; V262-P343 HydrophobicContact CG1-CG 4.38Å; P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 3.47Å; P343-P368 HydrophobicContact CB-CB 3.92Å; P343-P368 HydrophobicContact CB-CG 3.88Å; P343-P368 HydrophobicContact CG-CB 4.09Å; P343-Y371 HydrophobicContact CG-CE2 4.26Å; P343-F372 HydrophobicContact CG-CD1 4.32Å; P343-F372 HydrophobicContact CG-CD2 3.77Å; P343-F372 HydrophobicContact CG-CE1 4.47Å; P343-F372 HydrophobicContact CG-CE2 3.91Å; P343-F372 HydrophobicContact CG-CG 4Å; P343-F372 HydrophobicContact CG-CZ 4.29Å; P343-N401 PolarHBondContact O-ND2 3.39Å
344I92.1Very high94.3Very high12 Ų1210.6 Ų10.66%0.0625%0.052CC..SBendtrans-75.1-24.9-172.1167.1162000111.7Y342 F400 H431 H437Y342-I344 PolarHBondContact O-N 3.32Å; I344-F400 HydrophobicContact CB-CB 4.04Å; I344-F400 HydrophobicContact CD1-CB 3.81Å; I344-F400 HydrophobicContact CD1-CD1 3.78Å; I344-F400 HydrophobicContact CD1-CG 4.21Å; I344-F400 HydrophobicContact CG1-CB 4.23Å; I344-H431 HydrophobicContact CD1-CB 3.68Å; I344-H431 WeakPolarHBondContact CD1-CD2 3.43Å; I344-H431 HydrophobicContact CG1-CB 4.1Å; I344-H431 WeakPolarHBondContact CG2-CE1 3.31Å; I344-H431 WeakPolarHBondContact CG2-ND1 3.36Å; I344-H431 WeakPolarHBondContact CG2-NE2 3.43Å; I344-H437 VanDerWaalsContact CD1-CE1 3.42Å; I344-H437 WeakPolarHBondContact CD1-CE1 3.38Å
345E90.9Very high94Very high35 Ų3511.8 Ų11.816%0.1646%0.058CC..  trans-57149.4170.1-63.670.1-152.900110.8P343 N349 L350 P368 N401 H431P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 3.47Å; E345-N349 WeakPolarHBondContact CA-OD1 3.29Å; E345-L350 HydrophobicContact CB-CD2 4.43Å; E345-L350 HydrophobicContact CB-CG 4.41Å; E345-L350 HydrophobicContact CG-CD2 4.45Å; E345-P368 HydrophobicContact CB-CG 4.29Å; E345-P368 WeakPolarHBondContact O-CG 3.44Å; E345-N401 PolarHBondContact O-ND2 3.08Å; E345-H431 IonicContact OE1-CE1 3.17Å; E345-H431 PolarHBondContact OE1-CE1 2.87Å; E345-H431 IonicContact OE1-ND1 3.88Å; E345-H431 PolarHBondContact OE1-ND1 3.45Å
346T92.4Very high93.5Very high1 Ų117.6 Ų17.61%0.0069%0.088CC..  trans-131164172.366.30000107.9Y348 N349 L350 P402 D434 R436T346-Y348 PolarHBondContact O-N 2.82Å; T346-Y348 VanDerWaalsContact O-N 3.07Å; T346-Y348 WeakPolarHBondContact OG1-CB 3.3Å; T346-Y348 PolarHBondContact OG1-N 3.34Å; T346-N349 PolarHBondContact N-OD1 3.36Å; T346-N349 PolarHBondContact O-N 2.72Å; T346-N349 PolarHBondContact O-OD1 3.27Å; T346-N349 PolarHBondContact OG1-OD1 2.76Å; T346-L350 WeakPolarHBondContact O-CG 3.49Å; T346-L350 PolarHBondContact O-N 3.34Å; T346-P402 HydrophobicContact CG2-CG 3.99Å; T346-D434 PolarHBondContact OG1-OD2 2.97Å; T346-R436 PolarHBondContact OG1-NH2 2.86Å
347P92.2Very high93.2Very high3 Ų322.7 Ų22.72%0.01911%0.11CC..Hα-helixtrans-56.2-27174.3-26.538.2000112.6Y139 V351 T367Y139-P347 HydrophobicContact CD1-CB 4.11Å; Y139-P347 HydrophobicContact CD1-CG 4.27Å; Y139-P347 HydrophobicContact CD2-CB 3.56Å; Y139-P347 HydrophobicContact CD2-CG 3.52Å; Y139-P347 HydrophobicContact CE1-CB 4.44Å; Y139-P347 HydrophobicContact CE1-CG 4.11Å; Y139-P347 HydrophobicContact CE2-CB 3.96Å; Y139-P347 HydrophobicContact CE2-CG 3.36Å; Y139-P347 HydrophobicContact CG-CB 3.67Å; Y139-P347 HydrophobicContact CG-CG 4.01Å; P347-V351 WeakPolarHBondContact O-CB 3.27Å; P347-V351 WeakPolarHBondContact O-CG2 3.45Å; P347-V351 PolarHBondContact O-N 3.01Å; P347-T367 HydrophobicContact CB-CG2 3.77Å; P347-T367 HydrophobicContact CG-CG2 3.56Å
348Y91.4Very high92.8Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-56.1-58.9175.5-175.3-76.3000112S13 V14 T70 P71 A73 A74 T346 L350 A352 P435S13-Y348 WeakPolarHBondContact O-CE2 3.4Å; V14-Y348 HydrophobicContact CB-CD2 4.21Å; V14-Y348 HydrophobicContact CB-CE2 4.49Å; V14-Y348 HydrophobicContact CG1-CD2 4.01Å; V14-Y348 HydrophobicContact CG1-CE2 4.34Å; V14-Y348 HydrophobicContact CG1-CG 4.16Å; V14-Y348 WeakPolarHBondContact CG1-O 3.41Å; V14-Y348 HydrophobicContact CG2-CD2 3.99Å; T70-Y348 PolarHBondContact O-OH 3.17Å; T70-Y348 VanDerWaalsContact O-OH 3.05Å; P71-Y348 PolarHBondContact O-OH 3.3Å; A73-Y348 VanDerWaalsContact C-OH 3.3Å; A73-Y348 PolarHBondContact O-OH 3.07Å; A74-Y348 HydrophobicContact CB-CE2 4.42Å; T346-Y348 PolarHBondContact O-N 2.82Å; T346-Y348 VanDerWaalsContact O-N 3.07Å; T346-Y348 WeakPolarHBondContact OG1-CB 3.3Å; T346-Y348 PolarHBondContact OG1-N 3.34Å; Y348-L350 PolarHBondContact O-N 3Å; Y348-A352 PolarHBondContact O-N 3.32Å; Y348-A352 VanDerWaalsContact O-N 3.1Å; Y348-P435 HydrophobicContact CE1-CG 3.71Å
349N90.1Very high92.5Very high4 Ų436 Ų362%0.02117%0.17CC..Hα-helixtrans-73.3-29.6-176.164.6-83.3000112.3E345 T346 A352 E353 D434E345-N349 WeakPolarHBondContact CA-OD1 3.29Å; T346-N349 PolarHBondContact N-OD1 3.36Å; T346-N349 PolarHBondContact O-N 2.72Å; T346-N349 PolarHBondContact O-OD1 3.27Å; T346-N349 PolarHBondContact OG1-OD1 2.76Å; N349-A352 PolarHBondContact O-N 2.72Å; N349-E353 WeakPolarHBondContact O-CB 3.33Å; N349-E353 VanDerWaalsContact O-CG 3.3Å; N349-E353 WeakPolarHBondContact O-CG 3.16Å; N349-E353 PolarHBondContact O-N 3.22Å; N349-D434 HydrophobicContact CB-CB 4.13Å
350L92.4Very high92.1Very high32 Ų3239.7 Ų39.717%0.16820%0.196CC..Hα-helixtrans-64.6-44.9176.2-67.1173.9000111.7E345 T346 Y348 E353 E354 L365 P366 T367E345-L350 HydrophobicContact CB-CD2 4.43Å; E345-L350 HydrophobicContact CB-CG 4.41Å; E345-L350 HydrophobicContact CG-CD2 4.45Å; T346-L350 WeakPolarHBondContact O-CG 3.49Å; T346-L350 PolarHBondContact O-N 3.34Å; Y348-L350 PolarHBondContact O-N 3Å; L350-E353 PolarHBondContact O-N 2.82Å; L350-E354 WeakPolarHBondContact O-CG 3.39Å; L350-E354 PolarHBondContact O-N 3.26Å; L350-L365 HydrophobicContact CB-CD2 4.13Å; L350-P366 WeakPolarHBondContact CD1-O 3.34Å; L350-T367 HydrophobicContact CD1-CG2 4.11Å
351V93Very high91.9Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-63.3-45.4173.9167.60000110.9V14 L121 Y137 P347 E353 E354 L355 V361 L365V14-V351 HydrophobicContact CB-CG1 4.34Å; V14-V351 HydrophobicContact CG1-CB 3.74Å; V14-V351 HydrophobicContact CG1-CG1 3.62Å; L121-V351 HydrophobicContact CD1-CG2 3.68Å; L121-V351 HydrophobicContact CD2-CG2 3.71Å; L121-V351 HydrophobicContact CG-CG2 4.38Å; Y137-V351 HydrophobicContact CD2-CG1 4.21Å; Y137-V351 HydrophobicContact CG-CG1 4.01Å; P347-V351 WeakPolarHBondContact O-CB 3.27Å; P347-V351 WeakPolarHBondContact O-CG2 3.45Å; P347-V351 PolarHBondContact O-N 3.01Å; V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 PolarHBondContact O-N 3.36Å; V351-E354 PolarHBondContact O-N 2.9Å; V351-L355 HydrophobicContact CG1-CD1 4Å; V351-L355 HydrophobicContact CG1-CG 4.42Å; V351-L355 VanDerWaalsContact O-CG 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.95Å; V351-V361 HydrophobicContact CB-CG1 4.5Å; V351-V361 HydrophobicContact CG1-CG1 4.13Å; V351-V361 HydrophobicContact CG1-CG2 4.35Å; V351-V361 HydrophobicContact CG2-CG1 3.89Å; V351-L365 HydrophobicContact CG2-CD2 3.83Å
352A89.3Confident91.8Very high5 Ų544.6 Ų44.64%0.04122%0.219CC..Hα-helixtrans-57.4-42.3177.600000111.8Y348 N349 I356Y348-A352 PolarHBondContact O-N 3.32Å; Y348-A352 VanDerWaalsContact O-N 3.1Å; N349-A352 PolarHBondContact O-N 2.72Å; A352-I356 WeakPolarHBondContact O-CD1 3.39Å; A352-I356 VanDerWaalsContact O-CG1 3.28Å; A352-I356 WeakPolarHBondContact O-CG1 3.31Å; A352-I356 PolarHBondContact O-N 2.86Å; A352-I356 VanDerWaalsContact O-N 3.08Å
353E89.2Confident91.6Very high55 Ų5548 Ų4826%0.25724%0.242SC..Hα-helixtrans-67.4-42.4177.1-77.8-179.2-149.500113.7N349 L350 V351 L355 I356 K357 S433N349-E353 WeakPolarHBondContact O-CB 3.33Å; N349-E353 VanDerWaalsContact O-CG 3.3Å; N349-E353 WeakPolarHBondContact O-CG 3.16Å; N349-E353 PolarHBondContact O-N 3.22Å; L350-E353 PolarHBondContact O-N 2.82Å; V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 PolarHBondContact O-N 3.36Å; E353-L355 VanDerWaalsContact C-N 3.31Å; E353-L355 PolarHBondContact O-N 3.22Å; E353-I356 PolarHBondContact O-N 3.5Å; E353-K357 WeakPolarHBondContact O-CB 3.5Å; E353-K357 WeakPolarHBondContact O-CD 3.37Å; E353-K357 VanDerWaalsContact O-CG 3.24Å; E353-K357 WeakPolarHBondContact O-CG 3.39Å; E353-K357 PolarHBondContact O-N 2.76Å; E353-K357 IonicContact OE2-NZ 3.78Å; E353-K357 PolarHBondContact OE2-NZ 3.35Å; E353-K357 VanDerWaalsContact OE2-NZ 3.12Å; E353-S433 PolarHBondContact OE1-OG 3.23Å
354E92.5Very high91.6Very high32 Ų3252.9 Ų52.915%0.1528%0.276CS..Hα-helixtrans-64.2-38.4177.9-72.3-67.8114.800111.2L350 V351 K357 H358 K359 V361 L365L350-E354 WeakPolarHBondContact O-CG 3.39Å; L350-E354 PolarHBondContact O-N 3.26Å; V351-E354 PolarHBondContact O-N 2.9Å; E354-K357 CarbonylContact O-C 3.58Å; E354-K357 PolarHBondContact O-N 2.73Å; E354-H358 PolarHBondContact O-N 3.19Å; E354-H358 VanDerWaalsContact O-N 3.11Å; E354-K359 HydrophobicContact CB-CB 4.39Å; E354-K359 VanDerWaalsContact CD-CD 3.49Å; E354-K359 PolarHBondContact O-N 3.06Å; E354-K359 WeakPolarHBondContact OE1-CD 3.25Å; E354-K359 IonicContact OE1-NZ 3.52Å; E354-K359 PolarHBondContact OE1-NZ 3.41Å; E354-K359 VanDerWaalsContact OE1-NZ 3.16Å; E354-K359 WeakPolarHBondContact OE2-CB 3.4Å; E354-K359 WeakPolarHBondContact OE2-CD 3.46Å; E354-K359 IonicContact OE2-NZ 3.87Å; E354-V361 HydrophobicContact CB-CG2 3.79Å; E354-L365 HydrophobicContact CG-CD1 4.04Å
355L91.1Very high91.6Very high26 Ų2653.9 Ų53.914%0.13628%0.281CS..Hα-helixtrans-64.6-42.8173.8-67.4174.9000112.6N15 Y137 V351 E353 K357 H358 V361N15-L355 HydrophobicContact CB-CD1 3.64Å; Y137-L355 HydrophobicContact CD2-CD1 3.93Å; Y137-L355 HydrophobicContact CD2-CD2 4.48Å; Y137-L355 HydrophobicContact CE2-CD1 3.91Å; Y137-L355 HydrophobicContact CE2-CD2 3.66Å; Y137-L355 HydrophobicContact CE2-CG 4.31Å; V351-L355 HydrophobicContact CG1-CD1 4Å; V351-L355 HydrophobicContact CG1-CG 4.42Å; V351-L355 VanDerWaalsContact O-CG 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.95Å; E353-L355 VanDerWaalsContact C-N 3.31Å; E353-L355 PolarHBondContact O-N 3.22Å; L355-K357 VanDerWaalsContact C-N 3.25Å; L355-K357 PolarHBondContact O-N 3.35Å; L355-H358 PolarHBondContact O-N 3.1Å; L355-V361 HydrophobicContact CD2-CG2 3.91Å; L355-V361 HydrophobicContact CG-CG2 4.06Å
356I89Confident91.8Very high128 Ų12854.5 Ų54.566%0.65629%0.288SS*.Hα-helixtrans-61.3-37.4174.3-70.3164.6000110.9A352 E353 H358A352-I356 WeakPolarHBondContact O-CD1 3.39Å; A352-I356 VanDerWaalsContact O-CG1 3.28Å; A352-I356 WeakPolarHBondContact O-CG1 3.31Å; A352-I356 PolarHBondContact O-N 2.86Å; A352-I356 VanDerWaalsContact O-N 3.08Å; E353-I356 PolarHBondContact O-N 3.5Å; I356-H358 PolarHBondContact O-N 3.08Å
357K91.3Very high91.8Very high108 Ų10855.2 Ų55.247%0.4729%0.292SS..THydrogen-bonded Turntrans-79.62.1177.7-66.2165.7-166.2160.40112.9E353 E354 L355 K359E353-K357 WeakPolarHBondContact O-CB 3.5Å; E353-K357 WeakPolarHBondContact O-CD 3.37Å; E353-K357 VanDerWaalsContact O-CG 3.24Å; E353-K357 WeakPolarHBondContact O-CG 3.39Å; E353-K357 PolarHBondContact O-N 2.76Å; E353-K357 IonicContact OE2-NZ 3.78Å; E353-K357 PolarHBondContact OE2-NZ 3.35Å; E353-K357 VanDerWaalsContact OE2-NZ 3.12Å; E354-K357 CarbonylContact O-C 3.58Å; E354-K357 PolarHBondContact O-N 2.73Å; L355-K357 VanDerWaalsContact C-N 3.25Å; L355-K357 PolarHBondContact O-N 3.35Å; K357-K359 HydrophobicContact CB-CD 4.2Å; K357-K359 HydrophobicContact CB-CG 4.12Å; K357-K359 PolarHBondContact O-N 2.89Å
358H90.3Very high91.8Very high179 Ų17955.1 Ų55.183%0.82929%0.292SS*.THydrogen-bonded Turntrans53.733.6-174.7-58.8-63.6000114E354 L355 I356E354-H358 PolarHBondContact O-N 3.19Å; E354-H358 VanDerWaalsContact O-N 3.11Å; L355-H358 PolarHBondContact O-N 3.1Å; I356-H358 PolarHBondContact O-N 3.08Å
359K92.7Very high91.8Very high101 Ų10155.5 Ų55.544%0.43929%0.294SS..  trans-94.9149.9176.2-70.2179.1179.8-179.10110.8E354 K357E354-K359 HydrophobicContact CB-CB 4.39Å; E354-K359 VanDerWaalsContact CD-CD 3.49Å; E354-K359 PolarHBondContact O-N 3.06Å; E354-K359 WeakPolarHBondContact OE1-CD 3.25Å; E354-K359 IonicContact OE1-NZ 3.52Å; E354-K359 PolarHBondContact OE1-NZ 3.41Å; E354-K359 VanDerWaalsContact OE1-NZ 3.16Å; E354-K359 WeakPolarHBondContact OE2-CB 3.4Å; E354-K359 WeakPolarHBondContact OE2-CD 3.46Å; E354-K359 IonicContact OE2-NZ 3.87Å; K357-K359 HydrophobicContact CB-CD 4.2Å; K357-K359 HydrophobicContact CB-CG 4.12Å; K357-K359 PolarHBondContact O-N 2.89Å
360P91.2Very high91.9Very high96 Ų9658.7 Ų58.762%0.62332%0.317SS*.  trans-65135.4176.227.6-33.7000110.6
361V94.3Very high91.9Very high4 Ų458.5 Ų58.52%0.02432%0.315CS..  trans-102.7112.1174.8174.70000108.1L121 C123 Y137 V351 E354 L355L121-V361 HydrophobicContact CD2-CG1 3.56Å; C123-V361 PolarHBondContact SG-O 2.82Å; Y137-V361 HydrophobicContact CD1-CB 4.18Å; Y137-V361 HydrophobicContact CD1-CG1 3.65Å; Y137-V361 HydrophobicContact CE1-CB 3.57Å; Y137-V361 HydrophobicContact CE1-CG1 3.55Å; Y137-V361 HydrophobicContact CG-CG1 4.39Å; V351-V361 HydrophobicContact CB-CG1 4.5Å; V351-V361 HydrophobicContact CG1-CG1 4.13Å; V351-V361 HydrophobicContact CG1-CG2 4.35Å; V351-V361 HydrophobicContact CG2-CG1 3.89Å; E354-V361 HydrophobicContact CB-CG2 3.79Å; L355-V361 HydrophobicContact CD2-CG2 3.91Å; L355-V361 HydrophobicContact CG-CG2 4.06Å
362E92.8Very high91.8Very high112 Ų11259.3 Ų59.352%0.52332%0.318SS..  trans-109.7152.8-179.8-64.5-65.6158.100110.4S364 L365E362-S364 PolarHBondContact O-N 3.5Å; E362-L365 VanDerWaalsContact O-CB 3.3Å; E362-L365 WeakPolarHBondContact O-CB 3.4Å; E362-L365 PolarHBondContact O-N 2.8Å
363P92.3Very high92Very high76 Ų7660.1 Ų60.149%0.49432%0.32SS..THydrogen-bonded Turntrans-56.2-21.2175.2-26.535.5000114.2C123 L365C123-P363 HydrophobicContact CB-CG 4.29Å; P363-L365 VanDerWaalsContact C-N 3.34Å
364S92.3Very high92.3Very high102 Ų10259.7 Ų59.771%0.71332%0.317SS*.THydrogen-bonded Turntrans-88.69.7176.265.30000114.4E362 P366E362-S364 PolarHBondContact O-N 3.5Å; S364-P366 WeakPolarHBondContact O-CD 3.44Å
365L93.7Very high92.5Very high32 Ų3258.2 Ų58.217%0.16831%0.31CS..  trans-50.9123.2175.1178.566.2000109L121 L350 V351 E354 E362 P363 T367L121-L365 HydrophobicContact CD2-CB 4.39Å; L121-L365 HydrophobicContact CD2-CD2 4.49Å; L350-L365 HydrophobicContact CB-CD2 4.13Å; V351-L365 HydrophobicContact CG2-CD2 3.83Å; E354-L365 HydrophobicContact CG-CD1 4.04Å; E362-L365 VanDerWaalsContact O-CB 3.3Å; E362-L365 WeakPolarHBondContact O-CB 3.4Å; E362-L365 PolarHBondContact O-N 2.8Å; P363-L365 VanDerWaalsContact C-N 3.34Å; L365-T367 WeakPolarHBondContact O-CG2 3.36Å; L365-T367 PolarHBondContact O-N 2.89Å
366P93.4Very high92.8Very high48 Ų4857 Ų5731%0.31230%0.304SS..  trans-60129.5176.4-25.135.2000110.5E264 L350 S364E264-P366 HydrophobicContact CB-CB 3.96Å; E264-P366 HydrophobicContact CB-CG 4.48Å; E264-P366 HydrophobicContact CG-CB 3.96Å; E264-P366 HydrophobicContact CG-CG 4.02Å; L350-P366 WeakPolarHBondContact CD1-O 3.34Å; S364-P366 WeakPolarHBondContact O-CD 3.44Å
367T93.4Very high93.1Very high16 Ų1654.4 Ų54.410%0.09829%0.288CS..  trans-127.8166.4175.268.80000108.3P347 L350 L365 S369 S370 Y371P347-T367 HydrophobicContact CB-CG2 3.77Å; P347-T367 HydrophobicContact CG-CG2 3.56Å; L350-T367 HydrophobicContact CD1-CG2 4.11Å; L365-T367 WeakPolarHBondContact O-CG2 3.36Å; L365-T367 PolarHBondContact O-N 2.89Å; T367-S369 PolarHBondContact O-N 2.93Å; T367-S369 PolarHBondContact OG1-OG 2.82Å; T367-S370 PolarHBondContact N-OG 3.47Å; T367-S370 VanDerWaalsContact O-CB 3.3Å; T367-S370 WeakPolarHBondContact O-CB 3.16Å; T367-S370 PolarHBondContact O-N 3.06Å; T367-S370 PolarHBondContact O-OG 2.93Å; T367-Y371 WeakPolarHBondContact O-CD1 3.34Å; T367-Y371 VanDerWaalsContact O-CE1 3.27Å; T367-Y371 WeakPolarHBondContact O-CE1 3.35Å
368P92.8Very high93.4Very high1 Ų149.3 Ų49.31%0.00627%0.266CS..Hα-helixtrans-47.7-40-178-34.639.5000114.7Y342 P343 E345 S370 Y371 F372Y342-P368 HydrophobicContact CE1-CB 3.7Å; P343-P368 HydrophobicContact CB-CB 3.92Å; P343-P368 HydrophobicContact CB-CG 3.88Å; P343-P368 HydrophobicContact CG-CB 4.09Å; E345-P368 HydrophobicContact CB-CG 4.29Å; E345-P368 WeakPolarHBondContact O-CG 3.44Å; P368-S370 PolarHBondContact O-N 2.86Å; P368-Y371 VanDerWaalsContact CA-CZ 3.47Å; P368-Y371 PolarHBondContact O-N 2.89Å; P368-Y371 VanDerWaalsContact O-N 3.17Å; P368-F372 WeakPolarHBondContact O-CA 3.21Å; P368-F372 WeakPolarHBondContact O-CB 3.32Å; P368-F372 PolarHBondContact O-N 2.93Å
369S91.1Very high93.7Very high8 Ų840.8 Ų40.86%0.05623%0.226CC..Hα-helixtrans-69.2-2.8179.874.40000115.3Q119 Y342 T367 K374Q119-S369 WeakPolarHBondContact CG-OG 3.19Å; Q119-S369 PolarHBondContact NE2-OG 3.4Å; Y342-S369 PolarHBondContact OH-N 2.92Å; T367-S369 PolarHBondContact O-N 2.93Å; T367-S369 PolarHBondContact OG1-OG 2.82Å; S369-K374 WeakPolarHBondContact O-CE 3.4Å; S369-K374 PolarHBondContact O-NZ 2.63Å
370S91.6Very high93.9Very high71 Ų7136.1 Ų36.150%0.49721%0.207SC..Hα-helixtrans-91.3-23.8174.570.20000113.7T367 P368T367-S370 PolarHBondContact N-OG 3.47Å; T367-S370 VanDerWaalsContact O-CB 3.3Å; T367-S370 WeakPolarHBondContact O-CB 3.16Å; T367-S370 PolarHBondContact O-N 3.06Å; T367-S370 PolarHBondContact O-OG 2.93Å; P368-S370 PolarHBondContact O-N 2.86Å
371Y92Very high94.2Very high29 Ų2932.6 Ų32.611%0.11418%0.183CC..Hα-helixtrans-127.3-6.3179.755.9-98000113.4V262 E264 L269 P343 T367 P368V262-Y371 HydrophobicContact CG1-CE2 3.87Å; V262-Y371 PolarHBondContact O-OH 2.98Å; E264-Y371 HydrophobicContact CB-CD1 3.8Å; E264-Y371 HydrophobicContact CB-CE1 4.48Å; E264-Y371 HydrophobicContact CB-CG 4.42Å; L269-Y371 HydrophobicContact CD1-CD2 4.02Å; P343-Y371 HydrophobicContact CG-CE2 4.26Å; T367-Y371 WeakPolarHBondContact O-CD1 3.34Å; T367-Y371 VanDerWaalsContact O-CE1 3.27Å; T367-Y371 WeakPolarHBondContact O-CE1 3.35Å; P368-Y371 VanDerWaalsContact CA-CZ 3.47Å; P368-Y371 PolarHBondContact O-N 2.89Å; P368-Y371 VanDerWaalsContact O-N 3.17Å
372F92.2Very high94.4Very high17 Ų1732.4 Ų32.48%0.07518%0.182CC..SBendtrans-112-175.1167.1-109.6-109.9000110.3F234 V262 L269 V271 Y342 P343 P368 F378F234-F372 HydrophobicContact CB-CE2 4.28Å; F234-F372 HydrophobicContact CB-CZ 3.92Å; F234-F372 HydrophobicContact CD1-CE1 4.17Å; F234-F372 HydrophobicContact CD1-CE2 4.42Å; F234-F372 AromaticContact CD1-CZ 3.63Å; F234-F372 HydrophobicContact CD1-CZ 3.63Å; F234-F372 HydrophobicContact CG-CZ 4.11Å; V262-F372 HydrophobicContact CG1-CE2 4.28Å; L269-F372 HydrophobicContact CB-CE2 4.34Å; L269-F372 HydrophobicContact CD1-CD2 3.97Å; L269-F372 HydrophobicContact CD1-CE2 3.78Å; L269-F372 HydrophobicContact CD2-CE2 4.02Å; L269-F372 HydrophobicContact CG-CE2 4.27Å; V271-F372 HydrophobicContact CG1-CD1 3.64Å; V271-F372 HydrophobicContact CG1-CE1 3.56Å; V271-F372 HydrophobicContact CG1-CG 4.15Å; V271-F372 HydrophobicContact CG1-CZ 4.03Å; V271-F372 HydrophobicContact CG2-CD1 4.46Å; V271-F372 HydrophobicContact CG2-CD2 3.98Å; V271-F372 HydrophobicContact CG2-CE2 4.06Å; V271-F372 HydrophobicContact CG2-CG 4.18Å; V271-F372 HydrophobicContact CG2-CZ 4.3Å; Y342-F372 HydrophobicContact CD2-CD1 4.08Å; Y342-F372 HydrophobicContact CE2-CB 4.08Å; Y342-F372 HydrophobicContact CE2-CD1 4.19Å; P343-F372 HydrophobicContact CG-CD1 4.32Å; P343-F372 HydrophobicContact CG-CD2 3.77Å; P343-F372 HydrophobicContact CG-CE1 4.47Å; P343-F372 HydrophobicContact CG-CE2 3.91Å; P343-F372 HydrophobicContact CG-CG 4Å; P343-F372 HydrophobicContact CG-CZ 4.29Å; P368-F372 WeakPolarHBondContact O-CA 3.21Å; P368-F372 WeakPolarHBondContact O-CB 3.32Å; P368-F372 PolarHBondContact O-N 2.93Å; F372-F378 HydrophobicContact CD1-CE2 4.48Å
373Y92.9Very high94.6Very high22 Ų2227 Ų279%0.08616%0.157CC..  trans-66.1150.6170.2-87.8-109.2000112I222 T223 K224 S226 V271 Y342 K377 F378I222-Y373 HydrophobicContact CB-CE2 4.43Å; I222-Y373 HydrophobicContact CG2-CE1 4.25Å; I222-Y373 HydrophobicContact CG2-CE2 3.99Å; T223-Y373 WeakPolarHBondContact O-CE2 3.49Å; T223-Y373 PolarHBondContact O-OH 3.38Å; K224-Y373 PolarHBondContact O-OH 3.18Å; S226-Y373 PolarHBondContact N-OH 3.3Å; S226-Y373 PolarHBondContact OG-OH 2.94Å; V271-Y373 HydrophobicContact CB-CD2 3.98Å; V271-Y373 HydrophobicContact CB-CE2 4.06Å; V271-Y373 HydrophobicContact CG1-CD2 3.69Å; V271-Y373 HydrophobicContact CG1-CE2 4.06Å; Y342-Y373 VanDerWaalsContact CE2-O 3.29Å; Y342-Y373 WeakPolarHBondContact CE2-O 3.35Å; Y342-Y373 PolarHBondContact OH-O 2.83Å; Y342-Y373 VanDerWaalsContact OH-O 3.08Å; Y373-K377 HydrophobicContact CD1-CB 4.26Å; Y373-K377 HydrophobicContact CD1-CD 3.71Å; Y373-K377 HydrophobicContact CD1-CG 3.89Å; Y373-K377 HydrophobicContact CE1-CD 3.77Å; Y373-K377 HydrophobicContact CE1-CG 4.17Å; Y373-F378 HydrophobicContact CD2-CD2 4.39Å; Y373-F378 HydrophobicContact CG-CD2 4.01Å
374K95.4Very high94.8Very high45 Ų4525.6 Ų25.620%0.19615%0.145CC..  trans-58.8140162.7-59.1-57.8-179.8171.60110.2Q116 D117 S369 N376 K377 F378Q116-K374 WeakPolarHBondContact O-CE 3.41Å; Q116-K374 WeakPolarHBondContact O-CG 3.43Å; D117-K374 IonicContact OD1-NZ 3.39Å; D117-K374 PolarHBondContact OD1-NZ 3.43Å; S369-K374 WeakPolarHBondContact O-CE 3.4Å; S369-K374 PolarHBondContact O-NZ 2.63Å; K374-N376 VanDerWaalsContact C-N 3.29Å; K374-N376 PolarHBondContact O-N 3.21Å; K374-K377 PolarHBondContact O-N 2.87Å; K374-K377 VanDerWaalsContact O-N 3.11Å; K374-F378 PolarHBondContact O-N 3.26Å
375I97Very high94.9Very high1 Ų121.6 Ų21.61%0.00512%0.116CC..Hα-helixtrans-55.3-45.4-171.8-75.7-175.7000111.1D118 L141 Y342 K377 F378 C379 D403 I404 A407D118-I375 PolarHBondContact OD2-N 3Å; D118-I375 VanDerWaalsContact OD2-N 3.1Å; L141-I375 HydrophobicContact CD1-CB 4.25Å; L141-I375 HydrophobicContact CD1-CD1 4.28Å; L141-I375 HydrophobicContact CD1-CG2 4.39Å; L141-I375 HydrophobicContact CD2-CD1 3.96Å; L141-I375 HydrophobicContact CD2-CG2 4.44Å; Y342-I375 HydrophobicContact CE1-CD1 4.41Å; Y342-I375 HydrophobicContact CE1-CG1 4.1Å; Y342-I375 HydrophobicContact CE2-CG1 4.45Å; I375-K377 PolarHBondContact O-N 3.44Å; I375-F378 PolarHBondContact O-N 3.07Å; I375-C379 WeakPolarHBondContact O-CB 3.21Å; I375-C379 PolarHBondContact O-N 3.24Å; I375-C379 PolarHBondContact O-SG 3.46Å; I375-C379 VanDerWaalsContact O-SG 3.33Å; I375-D403 HydrophobicContact CD1-CB 3.61Å; I375-I404 HydrophobicContact CB-CD1 4.47Å; I375-I404 HydrophobicContact CG1-CD1 4.25Å; I375-I404 HydrophobicContact CG2-CD1 4.06Å; I375-A407 HydrophobicContact CG2-CB 3.67Å
376N96.9Very high95Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-65.5-42-178.7-77.8-92.1000112.6Y115 D118 F142 F144 K374 F378 D380 K411Y115-N376 HydrophobicContact CD2-CB 4.25Å; Y115-N376 HydrophobicContact CE2-CB 3.67Å; D118-N376 WeakPolarHBondContact CB-ND2 3.33Å; D118-N376 WeakPolarHBondContact OD2-CB 3.45Å; D118-N376 PolarHBondContact OD2-N 3.44Å; D118-N376 PolarHBondContact OD2-ND2 3.31Å; F142-N376 PolarHBondContact O-ND2 2.98Å; F144-N376 HydrophobicContact CD2-CB 4.11Å; F144-N376 PolarHBondContact N-OD1 3.23Å; K374-N376 VanDerWaalsContact C-N 3.29Å; K374-N376 PolarHBondContact O-N 3.21Å; N376-F378 VanDerWaalsContact C-N 3.32Å; N376-D380 VanDerWaalsContact O-CB 3.25Å; N376-D380 WeakPolarHBondContact O-CB 3.49Å; N376-D380 PolarHBondContact O-N 2.84Å; N376-K411 WeakPolarHBondContact OD1-CE 3.31Å; N376-K411 PolarHBondContact OD1-NZ 3.42Å
377K95.8Very high95.1Very high75 Ų7519 Ų1933%0.32610%0.098SC..Hα-helixtrans-65.4-39.7176.8-170.2-179.9178.2-1620110.9Y115 Y373 K374 I375 T381Y115-K377 HydrophobicContact CE1-CB 4.3Å; Y115-K377 VanDerWaalsContact OH-CA 3.32Å; Y115-K377 WeakPolarHBondContact OH-CA 3.48Å; Y373-K377 HydrophobicContact CD1-CB 4.26Å; Y373-K377 HydrophobicContact CD1-CD 3.71Å; Y373-K377 HydrophobicContact CD1-CG 3.89Å; Y373-K377 HydrophobicContact CE1-CD 3.77Å; Y373-K377 HydrophobicContact CE1-CG 4.17Å; K374-K377 PolarHBondContact O-N 2.87Å; K374-K377 VanDerWaalsContact O-N 3.11Å; I375-K377 PolarHBondContact O-N 3.44Å; K377-T381 WeakPolarHBondContact O-CB 3.38Å; K377-T381 PolarHBondContact O-N 2.75Å; K377-T381 VanDerWaalsContact O-N 3.07Å; K377-T381 PolarHBondContact O-OG1 2.95Å
378F97Very high95Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-62.5-52.8177.4-158.4-105.6000111.5I222 I340 K341 Y342 F372 Y373 K374 I375 N376 T381 I382 I404I222-F378 HydrophobicContact CB-CD2 4.04Å; I222-F378 HydrophobicContact CB-CE2 3.63Å; I222-F378 HydrophobicContact CB-CZ 4.48Å; I222-F378 HydrophobicContact CD1-CB 4.34Å; I222-F378 HydrophobicContact CD1-CD1 4.36Å; I222-F378 HydrophobicContact CD1-CD2 3.24Å; I222-F378 HydrophobicContact CD1-CE2 3.51Å; I222-F378 HydrophobicContact CD1-CG 3.73Å; I222-F378 HydrophobicContact CD1-CZ 4.16Å; I222-F378 WeakPolarHBondContact CD1-O 3.23Å; I222-F378 HydrophobicContact CG1-CD2 3.71Å; I222-F378 HydrophobicContact CG1-CE2 3.39Å; I222-F378 HydrophobicContact CG1-CG 4.49Å; I222-F378 HydrophobicContact CG1-CZ 3.91Å; I340-F378 HydrophobicContact CG2-CD1 3.75Å; I340-F378 HydrophobicContact CG2-CE1 3.4Å; I340-F378 VanDerWaalsContact CG2-CE1 3.4Å; K341-F378 WeakPolarHBondContact O-CZ 3.5Å; Y342-F378 AromaticContact CD2-CD1 3.89Å; Y342-F378 HydrophobicContact CD2-CD1 3.89Å; Y342-F378 HydrophobicContact CD2-CD2 4.45Å; Y342-F378 HydrophobicContact CD2-CE1 4.03Å; Y342-F378 HydrophobicContact CD2-CG 4.1Å; Y342-F378 HydrophobicContact CD2-CZ 4.4Å; F372-F378 HydrophobicContact CD1-CE2 4.48Å; Y373-F378 HydrophobicContact CD2-CD2 4.39Å; Y373-F378 HydrophobicContact CG-CD2 4.01Å; K374-F378 PolarHBondContact O-N 3.26Å; I375-F378 PolarHBondContact O-N 3.07Å; N376-F378 VanDerWaalsContact C-N 3.32Å; F378-T381 PolarHBondContact O-N 2.89Å; F378-I382 HydrophobicContact CD1-CD1 3.97Å; F378-I382 HydrophobicContact CE1-CD1 3.78Å; F378-I382 HydrophobicContact CZ-CD1 4.31Å; F378-I382 PolarHBondContact O-N 3.11Å; F378-I404 HydrophobicContact CD1-CD1 4.06Å
379C97.8Very high95Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-59.3-48.9176.9-69.10000112.3I375 T381 I382 L383 L408 K411I375-C379 WeakPolarHBondContact O-CB 3.21Å; I375-C379 PolarHBondContact O-N 3.24Å; I375-C379 PolarHBondContact O-SG 3.46Å; I375-C379 VanDerWaalsContact O-SG 3.33Å; C379-T381 VanDerWaalsContact C-N 3.31Å; C379-T381 PolarHBondContact O-N 3.16Å; C379-I382 PolarHBondContact O-N 3.38Å; C379-L383 WeakPolarHBondContact O-CB 3.25Å; C379-L383 VanDerWaalsContact O-CG 3.26Å; C379-L383 WeakPolarHBondContact O-CG 3.48Å; C379-L383 PolarHBondContact O-N 2.93Å; C379-L408 HydrophobicContact CB-CD2 3.81Å; C379-K411 HydrophobicContact CB-CD 3.93Å
380D96.9Very high95.2Very high4 Ų420.9 Ų20.92%0.02111%0.106CC..Hα-helixtrans-61.3-40.9-177.1-68-7.6000111K4 Y115 Y146 N376 L383 D384 K411K4-D380 IonicContact NZ-OD2 2.77Å; K4-D380 PolarHBondContact NZ-OD2 2.81Å; Y115-D380 WeakPolarHBondContact CE2-OD2 3.5Å; Y115-D380 PolarHBondContact OH-OD2 3.32Å; Y146-D380 HydrophobicContact CD2-CB 4.13Å; Y146-D380 WeakPolarHBondContact CD2-OD1 3.43Å; Y146-D380 HydrophobicContact CE2-CB 4.4Å; N376-D380 VanDerWaalsContact O-CB 3.25Å; N376-D380 WeakPolarHBondContact O-CB 3.49Å; N376-D380 PolarHBondContact O-N 2.84Å; D380-L383 PolarHBondContact O-N 3.01Å; D380-D384 WeakPolarHBondContact O-CB 3.46Å; D380-D384 VanDerWaalsContact O-CG 3.25Å; D380-D384 PolarHBondContact O-N 3.47Å; D380-K411 WeakPolarHBondContact OD1-CE 3.39Å; D380-K411 IonicContact OD1-NZ 2.79Å; D380-K411 PolarHBondContact OD1-NZ 3.11Å; D380-K411 IonicContact OD2-NZ 3.34Å
381T97Very high95.2Very high21 Ų2117.5 Ų17.513%0.1298%0.083CC..Hα-helixtrans-65-41.3179.9-57.30000112.4I222 S226 V228 K377 F378 C379 T385I222-T381 HydrophobicContact CD1-CG2 3.88Å; I222-T381 HydrophobicContact CG2-CG2 4.29Å; S226-T381 VanDerWaalsContact O-CG2 3.27Å; S226-T381 WeakPolarHBondContact O-CG2 3.44Å; V228-T381 HydrophobicContact CG2-CG2 3.91Å; K377-T381 WeakPolarHBondContact O-CB 3.38Å; K377-T381 PolarHBondContact O-N 2.75Å; K377-T381 VanDerWaalsContact O-N 3.07Å; K377-T381 PolarHBondContact O-OG1 2.95Å; F378-T381 PolarHBondContact O-N 2.89Å; C379-T381 VanDerWaalsContact C-N 3.31Å; C379-T381 PolarHBondContact O-N 3.16Å; T381-T385 PolarHBondContact O-N 3.31Å; T381-T385 VanDerWaalsContact O-N 3.14Å; T381-T385 PolarHBondContact O-OG1 3.04Å
382I97.9Very high95.3Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-69.8-43.7177-67.2172.2000110.5A220 I222 V228 I340 F378 C379 T385 I386A220-I382 HydrophobicContact CB-CD1 4.46Å; I222-I382 HydrophobicContact CD1-CD1 4.1Å; I222-I382 HydrophobicContact CD1-CG1 3.82Å; I222-I382 HydrophobicContact CG1-CD1 4.3Å; I222-I382 HydrophobicContact CG1-CG1 4.16Å; V228-I382 HydrophobicContact CG1-CG1 4.22Å; V228-I382 HydrophobicContact CG2-CG1 4.12Å; I340-I382 HydrophobicContact CB-CD1 4.38Å; I340-I382 HydrophobicContact CD1-CD1 4.39Å; I340-I382 HydrophobicContact CD1-CG2 4.25Å; I340-I382 HydrophobicContact CG1-CD1 3.95Å; I340-I382 HydrophobicContact CG1-CG2 4.34Å; I340-I382 HydrophobicContact CG2-CD1 3.75Å; F378-I382 HydrophobicContact CD1-CD1 3.97Å; F378-I382 HydrophobicContact CE1-CD1 3.78Å; F378-I382 HydrophobicContact CZ-CD1 4.31Å; F378-I382 PolarHBondContact O-N 3.11Å; C379-I382 PolarHBondContact O-N 3.38Å; I382-T385 WeakPolarHBondContact O-CB 3.43Å; I382-T385 PolarHBondContact O-N 3.28Å; I382-I386 HydrophobicContact CG2-CD1 3.8Å; I382-I386 WeakPolarHBondContact O-CG1 3.46Å; I382-I386 PolarHBondContact O-N 3.41Å
383L97.5Very high95.5Very high0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-61.3-45.4175.9-70.4172.7000111Y146 C379 D380 T385 I386 W387 L397 L408 K411 Q412 L415Y146-L383 HydrophobicContact CD1-CB 4.49Å; Y146-L383 HydrophobicContact CD1-CD1 3.84Å; Y146-L383 HydrophobicContact CD2-CB 4.39Å; Y146-L383 HydrophobicContact CD2-CD1 4.15Å; Y146-L383 HydrophobicContact CE1-CB 3.8Å; Y146-L383 HydrophobicContact CE1-CD1 3.95Å; Y146-L383 HydrophobicContact CE1-CG 4.41Å; Y146-L383 HydrophobicContact CE2-CB 3.69Å; Y146-L383 HydrophobicContact CE2-CD1 4.27Å; Y146-L383 HydrophobicContact CG-CD1 3.95Å; Y146-L383 VanDerWaalsContact OH-C 3.22Å; Y146-L383 WeakPolarHBondContact OH-CB 3.39Å; Y146-L383 PolarHBondContact OH-O 3.17Å; C379-L383 WeakPolarHBondContact O-CB 3.25Å; C379-L383 VanDerWaalsContact O-CG 3.26Å; C379-L383 WeakPolarHBondContact O-CG 3.48Å; C379-L383 PolarHBondContact O-N 2.93Å; D380-L383 PolarHBondContact O-N 3.01Å; L383-T385 VanDerWaalsContact C-N 3.26Å; L383-T385 PolarHBondContact O-N 3.05Å; L383-I386 PolarHBondContact O-N 2.98Å; L383-I386 VanDerWaalsContact O-N 3.12Å; L383-W387 WeakPolarHBondContact O-CB 3.29Å; L383-W387 PolarHBondContact O-N 2.95Å; L383-L397 HydrophobicContact CD2-CD1 3.9Å; L383-L408 HydrophobicContact CD1-CD2 4.09Å; L383-L408 HydrophobicContact CD2-CD2 4.3Å; L383-L408 HydrophobicContact CG-CD2 4.13Å; L383-K411 HydrophobicContact CD1-CB 4.3Å; L383-K411 HydrophobicContact CD1-CD 4.38Å; L383-Q412 HydrophobicContact CD1-CG 4.39Å; L383-Q412 HydrophobicContact CD2-CG 4.1Å; L383-L415 HydrophobicContact CD2-CD1 4.24Å
384D95.8Very high95.7Very high45 Ų4520 Ų2024%0.24110%0.095CC..Hα-helixtrans-56.6-43177.1-80-20.2000111Y146 L149 D380 S388Y146-D384 WeakPolarHBondContact CE2-OD1 3.37Å; Y146-D384 PolarHBondContact OH-N 3.22Å; Y146-D384 PolarHBondContact OH-OD1 2.93Å; L149-D384 HydrophobicContact CD1-CB 4.03Å; D380-D384 WeakPolarHBondContact O-CB 3.46Å; D380-D384 VanDerWaalsContact O-CG 3.25Å; D380-D384 PolarHBondContact O-N 3.47Å; D384-S388 WeakPolarHBondContact O-CB 3.3Å; D384-S388 PolarHBondContact O-N 3.48Å; D384-S388 PolarHBondContact O-OG 2.99Å
385T95.1Very high95.8Very high18 Ų1817.9 Ų17.911%0.119%0.086CC..Hα-helixtrans-62.6-45.4176.4-60.60000111.7V228 L323 K324 T381 I382 L383 H389V228-T385 HydrophobicContact CB-CG2 4.23Å; V228-T385 HydrophobicContact CG2-CG2 4.35Å; V228-T385 WeakPolarHBondContact CG2-OG1 3.39Å; L323-T385 HydrophobicContact CB-CG2 4.16Å; L323-T385 HydrophobicContact CD2-CG2 4Å; L323-T385 HydrophobicContact CG-CG2 4.17Å; K324-T385 HydrophobicContact CB-CG2 4.31Å; T381-T385 PolarHBondContact O-N 3.31Å; T381-T385 VanDerWaalsContact O-N 3.14Å; T381-T385 PolarHBondContact O-OG1 3.04Å; I382-T385 WeakPolarHBondContact O-CB 3.43Å; I382-T385 PolarHBondContact O-N 3.28Å; L383-T385 VanDerWaalsContact C-N 3.26Å; L383-T385 PolarHBondContact O-N 3.05Å; T385-H389 VanDerWaalsContact O-CB 3.32Å; T385-H389 WeakPolarHBondContact O-CB 3.48Å; T385-H389 PolarHBondContact O-CD2 3.33Å; T385-H389 PolarHBondContact O-N 3.35Å
386I96.4Very high95.9Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-65.6-51.6-179.8-69.2166000111P156 L323 F327 I382 L383 S388 H389 A390 V395 L397 L415P156-I386 HydrophobicContact CG-CG2 3.84Å; L323-I386 HydrophobicContact CD2-CG1 4.16Å; F327-I386 HydrophobicContact CE2-CG1 4.29Å; F327-I386 HydrophobicContact CZ-CG1 4.2Å; I382-I386 HydrophobicContact CG2-CD1 3.8Å; I382-I386 WeakPolarHBondContact O-CG1 3.46Å; I382-I386 PolarHBondContact O-N 3.41Å; L383-I386 PolarHBondContact O-N 2.98Å; L383-I386 VanDerWaalsContact O-N 3.12Å; I386-S388 VanDerWaalsContact C-N 3.26Å; I386-S388 PolarHBondContact O-N 3.48Å; I386-H389 PolarHBondContact O-N 2.79Å; I386-A390 HydrophobicContact CG2-CB 4.2Å; I386-A390 WeakPolarHBondContact O-CB 3.33Å; I386-A390 PolarHBondContact O-N 2.99Å; I386-V395 HydrophobicContact CD1-CG1 4.07Å; I386-V395 HydrophobicContact CG1-CG1 4.49Å; I386-V395 HydrophobicContact CG2-CB 4.31Å; I386-V395 HydrophobicContact CG2-CG1 4.12Å; I386-V395 HydrophobicContact CG2-CG2 4.18Å; I386-L397 HydrophobicContact CD1-CD2 3.52Å; I386-L415 HydrophobicContact CG2-CD1 3.88Å
387W94.6Very high96Very high27 Ų2717.9 Ų17.910%0.1029%0.086CC..Hα-helixtrans-65-31.6-177.6-76104.7000112.3Y146 P148 T155 P156 L383 F414 L415Y146-W387 AromaticContact CE1-CD1 3.8Å; Y146-W387 AromaticContact CE1-NE1 3.85Å; Y146-W387 AromaticContact CZ-CD1 3.92Å; P148-W387 HydrophobicContact CB-CB 4.26Å; P148-W387 HydrophobicContact CB-CD2 4.35Å; P148-W387 HydrophobicContact CB-CG 4.07Å; P148-W387 HydrophobicContact CG-CD2 4.34Å; P148-W387 HydrophobicContact CG-CG 4.37Å; T155-W387 HydrophobicContact CG2-CE3 4.02Å; T155-W387 HydrophobicContact CG2-CZ3 4.21Å; P156-W387 HydrophobicContact CG-CE3 4.24Å; P156-W387 HydrophobicContact CG-CZ3 4.42Å; L383-W387 WeakPolarHBondContact O-CB 3.29Å; L383-W387 PolarHBondContact O-N 2.95Å; W387-F414 HydrophobicContact CH2-CB 4.04Å; W387-F414 AromaticContact CH2-CD1 3.54Å; W387-F414 HydrophobicContact CH2-CD1 3.54Å; W387-F414 HydrophobicContact CH2-CE1 4.05Å; W387-F414 AromaticContact CH2-CG 3.79Å; W387-F414 HydrophobicContact CH2-CG 3.79Å; W387-F414 HydrophobicContact CZ2-CB 4.14Å; W387-F414 HydrophobicContact CZ2-CD1 4.17Å; W387-F414 HydrophobicContact CZ2-CG 4.36Å; W387-F414 HydrophobicContact CZ3-CD1 4.46Å; W387-L415 HydrophobicContact CZ2-CD1 4.49Å; W387-L415 HydrophobicContact CZ2-CG 4.28Å
388S91.8Very high96.1Very high16 Ų1614.3 Ų14.311%0.1127%0.071CC..Hα-helixtrans-82.2-29.3-179.5-57.50000113.9Q153 D384 I386Q153-S388 PolarHBondContact OE1-O 3.09Å; D384-S388 WeakPolarHBondContact O-CB 3.3Å; D384-S388 PolarHBondContact O-N 3.48Å; D384-S388 PolarHBondContact O-OG 2.99Å; I386-S388 VanDerWaalsContact C-N 3.26Å; I386-S388 PolarHBondContact O-N 3.48Å
389H93.1Very high96.2Very high48 Ų4814.3 Ų14.322%0.2227%0.071CC..Hα-helixtrans-131.2-14-163.3-52.9-59.7000116Y299 K324 F327 Y328 T385 I386 G391Y299-H389 PolarHBondContact OH-O 2.9Å; Y299-H389 VanDerWaalsContact OH-O 3.09Å; K324-H389 HydrophobicContact CB-CB 3.93Å; F327-H389 VanDerWaalsContact CB-O 3.24Å; F327-H389 WeakPolarHBondContact CB-O 3.29Å; F327-H389 HydrophobicContact CD2-CB 4.03Å; Y328-H389 HydrophobicContact CE2-CB 4.34Å; Y328-H389 AromaticContact CE2-ND1 3.8Å; Y328-H389 AromaticContact CZ-ND1 3.54Å; Y328-H389 PolarHBondContact OH-ND1 3.04Å; T385-H389 VanDerWaalsContact O-CB 3.32Å; T385-H389 WeakPolarHBondContact O-CB 3.48Å; T385-H389 PolarHBondContact O-CD2 3.33Å; T385-H389 PolarHBondContact O-N 3.35Å; I386-H389 PolarHBondContact O-N 2.79Å; H389-G391 VanDerWaalsContact C-N 3.29Å; H389-G391 PolarHBondContact O-N 2.55Å
390A94.3Very high96.1Very high0 Ų016 Ų160%08%0.078CC..SBendtrans-69-27.9-175.700000113.1P156 F327 I386 R393 V395P156-A390 HydrophobicContact CG-CB 4.05Å; F327-A390 HydrophobicContact CD1-CB 4.3Å; F327-A390 HydrophobicContact CD2-CB 3.99Å; F327-A390 HydrophobicContact CE1-CB 4.12Å; F327-A390 HydrophobicContact CE2-CB 3.79Å; F327-A390 HydrophobicContact CG-CB 4.24Å; F327-A390 HydrophobicContact CZ-CB 3.86Å; I386-A390 HydrophobicContact CG2-CB 4.2Å; I386-A390 WeakPolarHBondContact O-CB 3.33Å; I386-A390 PolarHBondContact O-N 2.99Å; A390-R393 HydrophobicContact CB-CG 4.26Å; A390-R393 VanDerWaalsContact O-CD 3.28Å; A390-R393 WeakPolarHBondContact O-CD 3.47Å; A390-R393 WeakPolarHBondContact O-CG 3.45Å; A390-R393 PolarHBondContact O-NE 3.4Å; A390-V395 HydrophobicContact CB-CG2 4.1Å
391G92.3Very high96.1Very high0 Ų015.8 Ų15.80%08%0.077CC..  trans70-169-173.400000112.3R154 T155 P156 Y299 H389 R393R154-G391 CarbonylContact O-C 3.54Å; R154-G391 WeakPolarHBondContact O-CA 3.47Å; T155-G391 CarbonylContact C-O 3.31Å; T155-G391 VanDerWaalsContact C-O 3.31Å; T155-G391 CarbonylContact O-C 3.58Å; P156-G391 VanDerWaalsContact CA-O 3.25Å; P156-G391 WeakPolarHBondContact CA-O 3.39Å; Y299-G391 WeakPolarHBondContact OH-CA 3.5Å; Y299-G391 PolarHBondContact OH-N 2.84Å; Y299-G391 VanDerWaalsContact OH-N 3.09Å; H389-G391 VanDerWaalsContact C-N 3.29Å; H389-G391 PolarHBondContact O-N 2.55Å; G391-R393 PolarHBondContact O-N 2.85Å
392P94.1Very high96.1Very high27 Ų2714.8 Ų14.818%0.1757%0.071CC..SBendtrans-8061.7-178.136.6-37.2000111.6R154 T155 L157 T332R154-P392 HydrophobicContact CB-CB 4.29Å; R154-P392 HydrophobicContact CB-CG 4.26Å; T155-P392 WeakPolarHBondContact O-CA 3.42Å; L157-P392 VanDerWaalsContact CD1-O 3.26Å; L157-P392 WeakPolarHBondContact CD1-O 3.12Å; L157-P392 HydrophobicContact CD2-CB 4.18Å; L157-P392 HydrophobicContact CG-CB 4.2Å; T332-P392 HydrophobicContact CG2-CG 3.98Å
393R95.6Very high96.1Very high1 Ų114.9 Ų14.90%0.0047%0.071CC..SBendtrans-118.7166.3170.470.4-172.963.9-144.38.5110.4P156 L157 F327 T330 S331 T332 L334 A390 G391 V395P156-R393 WeakPolarHBondContact CA-O 3.44Å; L157-R393 PolarHBondContact N-O 3.22Å; F327-R393 PolarHBondContact O-NH2 3.32Å; T330-R393 PolarHBondContact O-NH2 2.77Å; T330-R393 PolarHBondContact OG1-NH1 3.3Å; S331-R393 PolarHBondContact O-NH1 2.87Å; S331-R393 PolarHBondContact O-NH2 3.25Å; T332-R393 WeakPolarHBondContact O-CB 3.35Å; L334-R393 WeakPolarHBondContact O-CD 2.96Å; L334-R393 PolarHBondContact O-NH1 3.06Å; A390-R393 HydrophobicContact CB-CG 4.26Å; A390-R393 VanDerWaalsContact O-CD 3.28Å; A390-R393 WeakPolarHBondContact O-CD 3.47Å; A390-R393 WeakPolarHBondContact O-CG 3.45Å; A390-R393 PolarHBondContact O-NE 3.4Å; G391-R393 PolarHBondContact O-N 2.85Å; R393-V395 HydrophobicContact CG-CG2 4.21Å
394Y97.2Very high96.1Very high92 Ų9214.9 Ų14.936%0.3617%0.071SC..BIsolated β-bridgetrans-83.1142.4171.7-53.6-67.9000110.8L157 Y158 L159 S335 F336L157-Y394 HydrophobicContact CB-CD1 3.54Å; L157-Y394 HydrophobicContact CB-CE1 3.42Å; L157-Y394 VanDerWaalsContact CB-CE1 3.42Å; L157-Y394 HydrophobicContact CB-CG 4.45Å; L157-Y394 HydrophobicContact CD1-CE1 4.1Å; L157-Y394 HydrophobicContact CG-CE1 4.42Å; Y158-Y394 VanDerWaalsContact O-CE1 3.26Å; Y158-Y394 WeakPolarHBondContact O-CE1 3.18Å; L159-Y394 HydrophobicContact CB-CD1 3.71Å; L159-Y394 HydrophobicContact CB-CE1 4.43Å; L159-Y394 HydrophobicContact CB-CG 4.16Å; L159-Y394 HydrophobicContact CD1-CD1 4.11Å; L159-Y394 HydrophobicContact CD1-CD2 4.5Å; L159-Y394 HydrophobicContact CD1-CE1 4.38Å; L159-Y394 HydrophobicContact CD1-CG 4.17Å; L159-Y394 HydrophobicContact CD2-CG 4.44Å; L159-Y394 HydrophobicContact CG-CD1 4.4Å; L159-Y394 HydrophobicContact CG-CG 4.49Å; S335-Y394 VanDerWaalsContact CA-O 3.28Å; S335-Y394 WeakPolarHBondContact CA-O 3.33Å; S335-Y394 VanDerWaalsContact CB-O 3.22Å; S335-Y394 WeakPolarHBondContact CB-O 3.46Å; S335-Y394 WeakPolarHBondContact OG-CB 3.2Å; S335-Y394 WeakPolarHBondContact OG-CD2 3.28Å; F336-Y394 PolarHBondContact N-O 3.08Å; F336-Y394 VanDerWaalsContact N-O 3.08Å
395V98.3Very high96.3Very high1 Ų112.7 Ų12.71%0.0066%0.06CC..EExtended strand (participates in β ladder)trans-133.2129.8175-178.70000109.5F336 V338 I386 A390 R393 L397 L415 P416F336-V395 CarbonylContact O-C 3.51Å; F336-V395 VanDerWaalsContact O-CA 3.25Å; F336-V395 WeakPolarHBondContact O-CA 3.17Å; V338-V395 HydrophobicContact CG2-CG1 3.94Å; I386-V395 HydrophobicContact CD1-CG1 4.07Å; I386-V395 HydrophobicContact CG1-CG1 4.49Å; I386-V395 HydrophobicContact CG2-CB 4.31Å; I386-V395 HydrophobicContact CG2-CG1 4.12Å; I386-V395 HydrophobicContact CG2-CG2 4.18Å; A390-V395 HydrophobicContact CB-CG2 4.1Å; R393-V395 HydrophobicContact CG-CG2 4.21Å; V395-L397 HydrophobicContact CG1-CD2 4.4Å; V395-L415 HydrophobicContact CB-CD2 4.14Å; V395-P416 WeakPolarHBondContact O-CD 3.23Å
396I98.6Very high96.4Very high0 Ų012 Ų120%06%0.055CC..EExtended strand (participates in β ladder)trans-108.6141171.4-60.4172.2000107.4L159 L161 M215 F336 N337 V338 P416 L418 F488L159-I396 HydrophobicContact CD2-CD1 3.96Å; L159-I396 HydrophobicContact CD2-CG1 3.87Å; L161-I396 HydrophobicContact CD1-CD1 4.17Å; L161-I396 HydrophobicContact CD1-CG1 4.47Å; L161-I396 HydrophobicContact CD2-CD1 3.8Å; L161-I396 HydrophobicContact CD2-CG1 4.49Å; M215-I396 HydrophobicContact CE-CD1 3.84Å; M215-I396 HydrophobicContact CE-CG1 4.5Å; M215-I396 HydrophobicContact SD-CD1 3.62Å; F336-I396 PolarHBondContact O-N 2.61Å; N337-I396 CarbonylContact C-O 3.51Å; N337-I396 WeakPolarHBondContact CA-O 3.43Å; N337-I396 HydrophobicContact CB-CB 4.21Å; V338-I396 PolarHBondContact N-O 3.22Å; I396-P416 HydrophobicContact CG1-CB 4.48Å; I396-P416 HydrophobicContact CG1-CG 4.47Å; I396-P416 HydrophobicContact CG2-CB 4.43Å; I396-L418 HydrophobicContact CG2-CD1 3.61Å; I396-L418 HydrophobicContact CG2-CG 3.76Å; I396-F488 HydrophobicContact CD1-CE1 4.45Å; I396-F488 HydrophobicContact CD1-CE2 4.44Å; I396-F488 HydrophobicContact CD1-CZ 3.79Å
397L98.9Very high96.5Very high0 Ų012 Ų120%06%0.055CC..EExtended strand (participates in β ladder)trans-105.3134.4172.3-56175.2000108.7V338 I340 L383 I386 V395 L408 L415 P416 V417 L418V338-L397 HydrophobicContact CB-CD2 4.39Å; I340-L397 HydrophobicContact CD1-CB 4.42Å; I340-L397 HydrophobicContact CD1-CD2 4.21Å; L383-L397 HydrophobicContact CD2-CD1 3.9Å; I386-L397 HydrophobicContact CD1-CD2 3.52Å; V395-L397 HydrophobicContact CG1-CD2 4.4Å; L397-L408 HydrophobicContact CB-CD1 4.27Å; L397-L408 HydrophobicContact CD1-CB 4.42Å; L397-L408 HydrophobicContact CD1-CD1 4.26Å; L397-L408 HydrophobicContact CD1-CD2 4.04Å; L397-L408 HydrophobicContact CD1-CG 4.46Å; L397-L415 HydrophobicContact CD1-CB 4.14Å; L397-L415 HydrophobicContact CD1-CD1 4.15Å; L397-L415 HydrophobicContact CG-CB 4.28Å; L397-L415 HydrophobicContact CG-CD1 4.39Å; L397-P416 PolarHBondContact N-O 3.3Å; L397-V417 HydrophobicContact CB-CG2 4.44Å; L397-V417 HydrophobicContact CD1-CG2 4.4Å; L397-V417 CarbonylContact O-C 3.04Å; L397-V417 WeakPolarHBondContact O-CA 3.19Å; L397-L418 PolarHBondContact O-N 3.42Å
398S98.8Very high96.7Very high1 Ų110.7 Ų10.71%0.0075%0.05CC..EExtended strand (participates in β ladder)trans-134.9156171.558.10000110.7N337 V338 E339 I340 L418N337-S398 PolarHBondContact ND2-OG 3.38Å; V338-S398 PolarHBondContact O-N 2.86Å; E339-S398 CarbonylContact C-O 3.41Å; E339-S398 WeakPolarHBondContact CA-O 3.31Å; E339-S398 WeakPolarHBondContact CA-OG 3.36Å; I340-S398 PolarHBondContact N-O 3.34Å; S398-L418 VanDerWaalsContact CA-O 3.28Å; S398-L418 WeakPolarHBondContact CA-O 3.43Å
399S98.4Very high96.9Very high0 Ų012.2 Ų12.20%05%0.054CC..EExtended strand (participates in β ladder)trans-157.1149.2169.1-167.50000110.8I340 N401 C405 L418 I420I340-S399 PolarHBondContact O-OG 3.28Å; S399-N401 VanDerWaalsContact C-N 3.28Å; S399-N401 PolarHBondContact OG-N 2.96Å; S399-N401 VanDerWaalsContact OG-N 3.14Å; S399-C405 PolarHBondContact O-SG 2.82Å; S399-L418 PolarHBondContact N-O 3.09Å; S399-I420 WeakPolarHBondContact O-CG1 3.47Å; S399-I420 PolarHBondContact O-N 3.05Å
400F96.6Very high97Very high34 Ų3412.1 Ų12.115%0.1495%0.054CC..SBendtrans-70.7-25.9165.1-84.3-82.3000112.2I344 P402 F419 I420 R422 H437 Y490I344-F400 HydrophobicContact CB-CB 4.04Å; I344-F400 HydrophobicContact CD1-CB 3.81Å; I344-F400 HydrophobicContact CD1-CD1 3.78Å; I344-F400 HydrophobicContact CD1-CG 4.21Å; I344-F400 HydrophobicContact CG1-CB 4.23Å; F400-P402 WeakPolarHBondContact O-CD 3.41Å; F400-F419 WeakPolarHBondContact O-CE2 3.41Å; F400-I420 HydrophobicContact CD1-CB 3.95Å; F400-I420 HydrophobicContact CD1-CG2 3.81Å; F400-I420 HydrophobicContact CD2-CB 3.96Å; F400-I420 HydrophobicContact CD2-CD1 3.93Å; F400-I420 HydrophobicContact CD2-CG2 3.87Å; F400-I420 HydrophobicContact CE1-CB 4.14Å; F400-I420 HydrophobicContact CE1-CG2 3.45Å; F400-I420 VanDerWaalsContact CE1-CG2 3.45Å; F400-I420 HydrophobicContact CE2-CB 4.13Å; F400-I420 HydrophobicContact CE2-CD1 4.11Å; F400-I420 HydrophobicContact CE2-CG2 3.51Å; F400-I420 HydrophobicContact CG-CB 3.89Å; F400-I420 HydrophobicContact CG-CG2 4.03Å; F400-I420 HydrophobicContact CZ-CB 4.23Å; F400-I420 HydrophobicContact CZ-CG2 3.3Å; F400-R422 HydrophobicContact CE1-CG 4.21Å; F400-H437 PolarHBondContact O-CE1 2.98Å; F400-H437 PolarHBondContact O-NE2 3.07Å; F400-H437 VanDerWaalsContact O-NE2 3.1Å; F400-Y490 WeakPolarHBondContact CZ-OH 3.42Å
401N96.6Very high97.1Very high1 Ų112.6 Ų12.61%0.0056%0.057CC..  trans-82.8119.5-178.6-176.6-71.2000110.8Y342 P343 E345 S399 D403 I404 C405Y342-N401 HydrophobicContact CD1-CB 4.06Å; P343-N401 PolarHBondContact O-ND2 3.39Å; E345-N401 PolarHBondContact O-ND2 3.08Å; S399-N401 VanDerWaalsContact C-N 3.28Å; S399-N401 PolarHBondContact OG-N 2.96Å; S399-N401 VanDerWaalsContact OG-N 3.14Å; N401-D403 VanDerWaalsContact C-N 3.3Å; N401-D403 PolarHBondContact O-N 2.93Å; N401-D403 WeakPolarHBondContact OD1-CA 3.18Å; N401-D403 VanDerWaalsContact OD1-CB 3.31Å; N401-D403 WeakPolarHBondContact OD1-CB 3.32Å; N401-D403 PolarHBondContact OD1-N 3.25Å; N401-I404 HydrophobicContact CB-CB 4.09Å; N401-I404 HydrophobicContact CB-CG1 3.84Å; N401-I404 PolarHBondContact O-N 3.42Å; N401-I404 PolarHBondContact OD1-N 2.58Å; N401-C405 PolarHBondContact O-N 3.24Å
402P97.2Very high97.1Very high0 Ų013.4 Ų13.40%06%0.061CC..Hα-helixtrans-67.8-27.1-176.525.4-34.3000113.9T346 F400 L406 F419 R436 W446T346-P402 HydrophobicContact CG2-CG 3.99Å; F400-P402 WeakPolarHBondContact O-CD 3.41Å; P402-L406 PolarHBondContact O-N 2.93Å; P402-F419 HydrophobicContact CB-CE2 3.83Å; P402-F419 HydrophobicContact CB-CZ 4.2Å; P402-F419 HydrophobicContact CG-CE2 4.46Å; P402-R436 VanDerWaalsContact CG-NH1 3.3Å; P402-W446 HydrophobicContact CB-CZ2 4.27Å
403D97.4Very high97Very high1 Ų116.6 Ų16.61%0.0058%0.083CC..Hα-helixtrans-76.5-35.3179.2-63.6-5.7000111Y139 L141 I375 N401 L406 A407 R436Y139-D403 WeakPolarHBondContact CE1-OD2 2.85Å; Y139-D403 VanDerWaalsContact CZ-OD2 3.32Å; Y139-D403 PolarHBondContact OH-OD2 3.49Å; L141-D403 HydrophobicContact CD2-CB 3.74Å; I375-D403 HydrophobicContact CD1-CB 3.61Å; N401-D403 VanDerWaalsContact C-N 3.3Å; N401-D403 PolarHBondContact O-N 2.93Å; N401-D403 WeakPolarHBondContact OD1-CA 3.18Å; N401-D403 VanDerWaalsContact OD1-CB 3.31Å; N401-D403 WeakPolarHBondContact OD1-CB 3.32Å; N401-D403 PolarHBondContact OD1-N 3.25Å; D403-L406 PolarHBondContact O-N 2.69Å; D403-A407 VanDerWaalsContact O-CB 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.4Å; D403-A407 PolarHBondContact O-N 2.88Å; D403-R436 IonicContact OD1-CZ 3.29Å; D403-R436 IonicContact OD1-NH1 3.87Å; D403-R436 PolarHBondContact OD1-NH1 3.23Å; D403-R436 IonicContact OD1-NH2 3.16Å
404I98.1Very high96.9Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-60.6-47.8168.8-68.7-76.1000110.4I340 Y342 I375 F378 N401 L406 A407 L408I340-I404 HydrophobicContact CB-CG2 4.17Å; I340-I404 HydrophobicContact CD1-CG2 4.46Å; I340-I404 HydrophobicContact CG2-CG2 3.72Å; Y342-I404 HydrophobicContact CD1-CD1 4.26Å; Y342-I404 HydrophobicContact CD1-CG1 3.9Å; Y342-I404 HydrophobicContact CD2-CD1 4Å; Y342-I404 HydrophobicContact CD2-CG1 4.44Å; Y342-I404 HydrophobicContact CG-CD1 3.83Å; Y342-I404 HydrophobicContact CG-CG1 3.77Å; I375-I404 HydrophobicContact CB-CD1 4.47Å; I375-I404 HydrophobicContact CG1-CD1 4.25Å; I375-I404 HydrophobicContact CG2-CD1 4.06Å; F378-I404 HydrophobicContact CD1-CD1 4.06Å; N401-I404 HydrophobicContact CB-CB 4.09Å; N401-I404 HydrophobicContact CB-CG1 3.84Å; N401-I404 PolarHBondContact O-N 3.42Å; N401-I404 PolarHBondContact OD1-N 2.58Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 3.07Å; I404-A407 PolarHBondContact O-N 3.03Å; I404-L408 HydrophobicContact CG2-CD1 3.68Å; I404-L408 HydrophobicContact CG2-CG 4.33Å; I404-L408 WeakPolarHBondContact O-CB 3.25Å; I404-L408 WeakPolarHBondContact O-CD1 3.48Å; I404-L408 WeakPolarHBondContact O-CG 3.32Å; I404-L408 PolarHBondContact O-N 3.39Å
405C98.6Very high97Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-58.2-45177.1-67.50000111.8S399 N401 R409 V417 L418 L452S399-C405 PolarHBondContact O-SG 2.82Å; N401-C405 PolarHBondContact O-N 3.24Å; C405-R409 WeakPolarHBondContact O-CB 3.13Å; C405-R409 PolarHBondContact O-N 2.75Å; C405-V417 HydrophobicContact CB-CG1 4.1Å; C405-L418 PolarHBondContact SG-O 3.23Å; C405-L452 HydrophobicContact CB-CD1 3.84Å; C405-L452 HydrophobicContact CB-CD2 4.3Å
406L98Very high97Very high2 Ų215.5 Ų15.51%0.018%0.081CC..Hα-helixtrans-63-46.7176.6178.258.8000111.7V10 P402 D403 I404 L408 R409 L410 M450V10-L406 HydrophobicContact CB-CD2 4.04Å; V10-L406 HydrophobicContact CG1-CD2 3.85Å; V10-L406 HydrophobicContact CG2-CD2 4.18Å; P402-L406 PolarHBondContact O-N 2.93Å; D403-L406 PolarHBondContact O-N 2.69Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 3.07Å; L406-L408 PolarHBondContact O-N 3.25Å; L406-R409 PolarHBondContact O-N 2.77Å; L406-L410 HydrophobicContact CD1-CD1 3.62Å; L406-L410 HydrophobicContact CD1-CG 3.98Å; L406-L410 HydrophobicContact CG-CD1 3.94Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 2.61Å; L406-M450 HydrophobicContact CD1-CB 4.32Å; L406-M450 HydrophobicContact CD1-CG 4.29Å; L406-M450 HydrophobicContact CD1-SD 3.71Å; L406-M450 HydrophobicContact CD2-SD 4.37Å
407A97.8Very high97Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-57.9-48.8178.800000111.5I143 I375 D403 I404 R409 L410 K411I143-A407 HydrophobicContact CD1-CB 3.55Å; I375-A407 HydrophobicContact CG2-CB 3.67Å; D403-A407 VanDerWaalsContact O-CB 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.4Å; D403-A407 PolarHBondContact O-N 2.88Å; I404-A407 PolarHBondContact O-N 3.03Å; A407-R409 PolarHBondContact O-N 2.69Å; A407-L410 PolarHBondContact O-N 3.33Å; A407-K411 VanDerWaalsContact O-CB 3.26Å; A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 WeakPolarHBondContact O-CD 3.37Å; A407-K411 WeakPolarHBondContact O-CG 3.44Å; A407-K411 PolarHBondContact O-N 3.44Å
408L98.2Very high97Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-63-41.9178.6-66.5165.2000111.9I340 C379 L383 L397 I404 L406 L410 K411 Q412 V417I340-L408 HydrophobicContact CD1-CD1 3.29Å; I340-L408 HydrophobicContact CD1-CD2 4.07Å; I340-L408 HydrophobicContact CD1-CG 4.26Å; C379-L408 HydrophobicContact CB-CD2 3.81Å; L383-L408 HydrophobicContact CD1-CD2 4.09Å; L383-L408 HydrophobicContact CD2-CD2 4.3Å; L383-L408 HydrophobicContact CG-CD2 4.13Å; L397-L408 HydrophobicContact CB-CD1 4.27Å; L397-L408 HydrophobicContact CD1-CB 4.42Å; L397-L408 HydrophobicContact CD1-CD1 4.26Å; L397-L408 HydrophobicContact CD1-CD2 4.04Å; L397-L408 HydrophobicContact CD1-CG 4.46Å; I404-L408 HydrophobicContact CG2-CD1 3.68Å; I404-L408 HydrophobicContact CG2-CG 4.33Å; I404-L408 WeakPolarHBondContact O-CB 3.25Å; I404-L408 WeakPolarHBondContact O-CD1 3.48Å; I404-L408 WeakPolarHBondContact O-CG 3.32Å; I404-L408 PolarHBondContact O-N 3.39Å; L406-L408 PolarHBondContact O-N 3.25Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 2.81Å; L408-K411 PolarHBondContact O-N 3.43Å; L408-Q412 WeakPolarHBondContact O-CG 3.21Å; L408-Q412 PolarHBondContact O-N 3.49Å; L408-Q412 VanDerWaalsContact O-N 3.1Å; L408-Q412 PolarHBondContact O-NE2 2.87Å; L408-V417 HydrophobicContact CB-CG1 4.25Å; L408-V417 HydrophobicContact CB-CG2 3.91Å; L408-V417 HydrophobicContact CD1-CG1 4.5Å
409R97.3Very high97Very high49 Ų4915.5 Ų15.519%0.1858%0.08CC..Hα-helixtrans-65-36.1178.9178.454.9178.2166.7-5.3112.6C405 L406 A407 Q412 N451 L452C405-R409 WeakPolarHBondContact O-CB 3.13Å; C405-R409 PolarHBondContact O-N 2.75Å; L406-R409 PolarHBondContact O-N 2.77Å; A407-R409 PolarHBondContact O-N 2.69Å; R409-Q412 CarbonylContact C-O 3.51Å; R409-N451 WeakPolarHBondContact CD-O 3.37Å; R409-N451 VanDerWaalsContact CZ-O 3.29Å; R409-N451 PolarHBondContact NE-O 2.83Å; R409-N451 PolarHBondContact NH2-ND2 3Å; R409-N451 PolarHBondContact NH2-O 3.06Å; R409-L452 HydrophobicContact CB-CD2 3.71Å; R409-L452 HydrophobicContact CG-CD2 4.01Å
410L95.5Very high96.9Very high45 Ų4515.5 Ų15.524%0.2368%0.081CC..Hα-helixtrans-81.3-29.9179.3-69.4174.7000113A8 L78 I143 L406 A407 L408A8-L410 HydrophobicContact CB-CD1 3.92Å; L78-L410 HydrophobicContact CD1-CD1 3.99Å; L78-L410 HydrophobicContact CD2-CD1 4.33Å; L78-L410 HydrophobicContact CD2-CD2 4.46Å; I143-L410 HydrophobicContact CG1-CD1 4.17Å; I143-L410 HydrophobicContact CG2-CB 4.05Å; L406-L410 HydrophobicContact CD1-CD1 3.62Å; L406-L410 HydrophobicContact CD1-CG 3.98Å; L406-L410 HydrophobicContact CG-CD1 3.94Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 2.61Å; A407-L410 PolarHBondContact O-N 3.33Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 2.81Å
411K94.8Very high96.9Very high11 Ų1114 Ų145%0.0487%0.074CC..Hα-helixtrans-72.4-32.6176.1-78.3172.3-179.5-67.70113.2I143 F144 N376 C379 D380 L383 A407 L408I143-K411 HydrophobicContact CG2-CG 4.01Å; F144-K411 PolarHBondContact O-NZ 2.93Å; N376-K411 WeakPolarHBondContact OD1-CE 3.31Å; N376-K411 PolarHBondContact OD1-NZ 3.42Å; C379-K411 HydrophobicContact CB-CD 3.93Å; D380-K411 WeakPolarHBondContact OD1-CE 3.39Å; D380-K411 IonicContact OD1-NZ 2.79Å; D380-K411 PolarHBondContact OD1-NZ 3.11Å; D380-K411 IonicContact OD2-NZ 3.34Å; L383-K411 HydrophobicContact CD1-CB 4.3Å; L383-K411 HydrophobicContact CD1-CD 4.38Å; A407-K411 VanDerWaalsContact O-CB 3.26Å; A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 WeakPolarHBondContact O-CD 3.37Å; A407-K411 WeakPolarHBondContact O-CG 3.44Å; A407-K411 PolarHBondContact O-N 3.44Å; L408-K411 PolarHBondContact O-N 3.43Å
412Q93.4Very high96.9Very high17 Ų1718.7 Ų18.78%0.0799%0.092CC..  trans-152.1153-17666.574.34000111.9L383 L408 R409 L415L383-Q412 HydrophobicContact CD1-CG 4.39Å; L383-Q412 HydrophobicContact CD2-CG 4.1Å; L408-Q412 WeakPolarHBondContact O-CG 3.21Å; L408-Q412 PolarHBondContact O-N 3.49Å; L408-Q412 VanDerWaalsContact O-N 3.1Å; L408-Q412 PolarHBondContact O-NE2 2.87Å; R409-Q412 CarbonylContact C-O 3.51Å; Q412-L415 PolarHBondContact NE2-O 2.92Å; Q412-L415 PolarHBondContact OE1-O 2.69Å
413S91.7Very high96.6Very high93 Ų9318.9 Ų18.965%0.659%0.094SC*.SBendtrans-122.99.9-179.5670000114.1
414F94.6Very high96.1Very high68 Ų6820.2 Ų20.230%0.29811%0.108SC..SBendtrans-99.7-45.1-170.8-172.2-86.1000112.6P156 L157 Y158 W387P156-F414 HydrophobicContact CB-CE1 4.49Å; P156-F414 WeakPolarHBondContact O-CE1 3.46Å; L157-F414 VanDerWaalsContact C-CE1 3.48Å; Y158-F414 HydrophobicContact CD2-CD1 4.5Å; Y158-F414 AromaticContact CD2-CD2 3.97Å; Y158-F414 HydrophobicContact CD2-CD2 3.97Å; Y158-F414 HydrophobicContact CD2-CE2 4.13Å; Y158-F414 HydrophobicContact CD2-CG 4.18Å; Y158-F414 HydrophobicContact CD2-CZ 4.48Å; Y158-F414 WeakPolarHBondContact CD2-O 3.49Å; Y158-F414 HydrophobicContact CG-CE2 4.37Å; Y158-F414 VanDerWaalsContact N-CZ 3.28Å; W387-F414 HydrophobicContact CH2-CB 4.04Å; W387-F414 AromaticContact CH2-CD1 3.54Å; W387-F414 HydrophobicContact CH2-CD1 3.54Å; W387-F414 HydrophobicContact CH2-CE1 4.05Å; W387-F414 AromaticContact CH2-CG 3.79Å; W387-F414 HydrophobicContact CH2-CG 3.79Å; W387-F414 HydrophobicContact CZ2-CB 4.14Å; W387-F414 HydrophobicContact CZ2-CD1 4.17Å; W387-F414 HydrophobicContact CZ2-CG 4.36Å; W387-F414 HydrophobicContact CZ3-CD1 4.46Å
415L97.3Very high95.6Very high2 Ų223 Ų231%0.0112%0.119CC..SBendtrans-85.5130.8175.3-56.2178.2000109.2P156 L383 I386 W387 V395 L397 Q412P156-L415 HydrophobicContact CB-CD2 3.94Å; P156-L415 HydrophobicContact CG-CD2 4.43Å; L383-L415 HydrophobicContact CD2-CD1 4.24Å; I386-L415 HydrophobicContact CG2-CD1 3.88Å; W387-L415 HydrophobicContact CZ2-CD1 4.49Å; W387-L415 HydrophobicContact CZ2-CG 4.28Å; V395-L415 HydrophobicContact CB-CD2 4.14Å; L397-L415 HydrophobicContact CD1-CB 4.14Å; L397-L415 HydrophobicContact CD1-CD1 4.15Å; L397-L415 HydrophobicContact CG-CB 4.28Å; L397-L415 HydrophobicContact CG-CD1 4.39Å; Q412-L415 PolarHBondContact NE2-O 2.92Å; Q412-L415 PolarHBondContact OE1-O 2.69Å
416P98.3Very high94.9Very high2 Ų225.9 Ų25.91%0.01314%0.137CC..  trans-60.2138.8174.7-24.534.5000112.2L159 L161 V395 I396 L397 N453L159-P416 HydrophobicContact CB-CG 4.24Å; L159-P416 WeakPolarHBondContact O-CG 3.44Å; L161-P416 HydrophobicContact CD1-CB 3.51Å; L161-P416 HydrophobicContact CD1-CG 4Å; L161-P416 HydrophobicContact CG-CB 4.07Å; L161-P416 HydrophobicContact CG-CG 4Å; V395-P416 WeakPolarHBondContact O-CD 3.23Å; I396-P416 HydrophobicContact CG1-CB 4.48Å; I396-P416 HydrophobicContact CG1-CG 4.47Å; I396-P416 HydrophobicContact CG2-CB 4.43Å; L397-P416 PolarHBondContact N-O 3.3Å; P416-N453 VanDerWaalsContact CA-OD1 3.26Å; P416-N453 WeakPolarHBondContact CA-OD1 3.44Å; P416-N453 HydrophobicContact CB-CB 3.97Å
417V98.8Very high94Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-115.7124.2174.8-1750000109.4L397 C405 L408 L452 N453L397-V417 HydrophobicContact CB-CG2 4.44Å; L397-V417 HydrophobicContact CD1-CG2 4.4Å; L397-V417 CarbonylContact O-C 3.04Å; L397-V417 WeakPolarHBondContact O-CA 3.19Å; C405-V417 HydrophobicContact CB-CG1 4.1Å; L408-V417 HydrophobicContact CB-CG1 4.25Å; L408-V417 HydrophobicContact CB-CG2 3.91Å; L408-V417 HydrophobicContact CD1-CG1 4.5Å; V417-L452 HydrophobicContact CB-CD2 4.35Å; V417-L452 HydrophobicContact CG1-CD2 4.1Å; V417-N453 PolarHBondContact N-OD1 3.49Å; V417-N453 PolarHBondContact O-N 3.23Å
418L98.9Very high93.2Very high0 Ų035.2 Ų35.20%019%0.187CC..EExtended strand (participates in β ladder)trans-114.5139.5179.4-51.6-177.7000111.1L161 I396 L397 S398 S399 C405 N453 G454 V456 F488L161-L418 HydrophobicContact CD1-CD1 4.43Å; L161-L418 HydrophobicContact CD1-CD2 3.84Å; L161-L418 HydrophobicContact CD1-CG 4.48Å; I396-L418 HydrophobicContact CG2-CD1 3.61Å; I396-L418 HydrophobicContact CG2-CG 3.76Å; L397-L418 PolarHBondContact O-N 3.42Å; S398-L418 VanDerWaalsContact CA-O 3.28Å; S398-L418 WeakPolarHBondContact CA-O 3.43Å; S399-L418 PolarHBondContact N-O 3.09Å; C405-L418 PolarHBondContact SG-O 3.23Å; L418-N453 HydrophobicContact CD2-CB 4.12Å; L418-G454 WeakPolarHBondContact CA-O 3.1Å; L418-V456 HydrophobicContact CB-CG2 3.88Å; L418-V456 HydrophobicContact CD1-CG2 3.8Å; L418-F488 HydrophobicContact CD1-CD2 3.55Å; L418-F488 HydrophobicContact CD1-CE2 3.67Å; L418-F488 HydrophobicContact CD1-CG 4.35Å
419F98.7Very high92.2Very high0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-93.2122173.4177.2-133.5000110.8F400 P402 R436 H437 A443 W446 L452 G454 I455 V456F400-F419 WeakPolarHBondContact O-CE2 3.41Å; P402-F419 HydrophobicContact CB-CE2 3.83Å; P402-F419 HydrophobicContact CB-CZ 4.2Å; P402-F419 HydrophobicContact CG-CE2 4.46Å; F419-R436 HydrophobicContact CE1-CB 4.44Å; F419-R436 HydrophobicContact CZ-CB 4.19Å; F419-H437 AromaticContact CE2-CE1 3.32Å; F419-H437 WeakPolarHBondContact CE2-CE1 3.38Å; F419-H437 AromaticContact CE2-NE2 3.56Å; F419-H437 AromaticContact CZ-CE1 3.18Å; F419-H437 WeakPolarHBondContact CZ-CE1 3.3Å; F419-H437 AromaticContact CZ-ND1 3.69Å; F419-H437 AromaticContact CZ-NE2 3.41Å; F419-H437 WeakPolarHBondContact CZ-NE2 3.42Å; F419-A443 HydrophobicContact CD1-CB 4.13Å; F419-A443 HydrophobicContact CE1-CB 3.83Å; F419-W446 AromaticContact CD1-CD1 3.81Å; F419-W446 HydrophobicContact CE1-CB 4.48Å; F419-W446 AromaticContact CE1-CD1 3.79Å; F419-W446 HydrophobicContact CE1-CG 4.45Å; F419-L452 HydrophobicContact CB-CD1 3.65Å; F419-G454 PolarHBondContact N-O 2.97Å; F419-I455 HydrophobicContact CB-CG2 4.49Å; F419-I455 CarbonylContact O-C 3.54Å; F419-I455 WeakPolarHBondContact O-CA 3.12Å; F419-I455 WeakPolarHBondContact O-CB 3.39Å; F419-V456 PolarHBondContact O-N 3.04Å
420I98.3Very high91.1Very high1 Ų139.6 Ų39.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-88.4126.1177.7-44177.4000109E339 S399 F400 H437 V456 Y490E339-I420 HydrophobicContact CB-CD1 4.42Å; E339-I420 VanDerWaalsContact CD-CD1 3.49Å; E339-I420 HydrophobicContact CG-CD1 3.62Å; E339-I420 WeakPolarHBondContact OE2-CD1 3.49Å; S399-I420 WeakPolarHBondContact O-CG1 3.47Å; S399-I420 PolarHBondContact O-N 3.05Å; F400-I420 HydrophobicContact CD1-CB 3.95Å; F400-I420 HydrophobicContact CD1-CG2 3.81Å; F400-I420 HydrophobicContact CD2-CB 3.96Å; F400-I420 HydrophobicContact CD2-CD1 3.93Å; F400-I420 HydrophobicContact CD2-CG2 3.87Å; F400-I420 HydrophobicContact CE1-CB 4.14Å; F400-I420 HydrophobicContact CE1-CG2 3.45Å; F400-I420 VanDerWaalsContact CE1-CG2 3.45Å; F400-I420 HydrophobicContact CE2-CB 4.13Å; F400-I420 HydrophobicContact CE2-CD1 4.11Å; F400-I420 HydrophobicContact CE2-CG2 3.51Å; F400-I420 HydrophobicContact CG-CB 3.89Å; F400-I420 HydrophobicContact CG-CG2 4.03Å; F400-I420 HydrophobicContact CZ-CB 4.23Å; F400-I420 HydrophobicContact CZ-CG2 3.3Å; I420-H437 PolarHBondContact O-CE1 2.86Å; I420-V456 WeakPolarHBondContact CA-O 3.42Å; I420-V456 HydrophobicContact CB-CB 4.28Å; I420-V456 HydrophobicContact CG1-CB 3.95Å; I420-V456 HydrophobicContact CG1-CG2 4.13Å; I420-V456 HydrophobicContact CG2-CB 4.05Å; I420-V456 HydrophobicContact CG2-CG1 4.28Å; I420-Y490 HydrophobicContact CG2-CE1 4.18Å
421S96.6Very high90.2Very high1 Ų139.7 Ų39.71%0.00722%0.224CC..  trans-148.1137.8175.3-175.90000111.6G423 H437 V456 T457S421-G423 PolarHBondContact O-N 3.27Å; S421-G423 PolarHBondContact OG-N 2.9Å; S421-G423 VanDerWaalsContact OG-N 3.11Å; S421-H437 PolarHBondContact OG-ND1 2.87Å; S421-V456 PolarHBondContact N-O 3.13Å; S421-T457 WeakPolarHBondContact O-CA 3.27Å; S421-T457 VanDerWaalsContact O-CB 3.32Å; S421-T457 WeakPolarHBondContact O-CB 3.48Å; S421-T457 PolarHBondContact O-OG1 3.27Å
422R95Very high89.3Confident100 Ų10042.8 Ų42.838%0.37724%0.238SC..  trans-77.1-11.4170.4-64.9-177.5-178.1177.13.2112.3F400 G424 Y425 D428 V458 H461 Y490F400-R422 HydrophobicContact CE1-CG 4.21Å; R422-G424 VanDerWaalsContact C-N 3.33Å; R422-G424 PolarHBondContact O-N 2.71Å; R422-Y425 WeakPolarHBondContact O-CB 3.33Å; R422-Y425 PolarHBondContact O-N 3.03Å; R422-Y425 VanDerWaalsContact O-N 3.09Å; R422-D428 WeakPolarHBondContact CD-OD2 3.45Å; R422-D428 IonicContact CZ-OD2 3.18Å; R422-D428 IonicContact NE-OD2 3.12Å; R422-D428 IonicContact NH1-OD1 2.9Å; R422-D428 IonicContact NH1-OD2 2.65Å; R422-D428 PolarHBondContact NH1-OD2 3.28Å; R422-V458 HydrophobicContact CG-CG1 4.18Å; R422-H461 PolarHBondContact O-NE2 3.4Å; R422-Y490 WeakPolarHBondContact CG-OH 3.37Å
423G91.9Very high88.9Confident4 Ų443.7 Ų43.74%0.04125%0.246CC..THydrogen-bonded Turntrans55.741.9165.500000114.4S421 N439 I440 H461S421-G423 PolarHBondContact O-N 3.27Å; S421-G423 PolarHBondContact OG-N 2.9Å; S421-G423 VanDerWaalsContact OG-N 3.11Å; G423-N439 VanDerWaalsContact C-CA 3.47Å; G423-N439 VanDerWaalsContact CA-C 3.5Å; G423-N439 CarbonylContact O-C 3.51Å; G423-N439 WeakPolarHBondContact O-CA 3.49Å; G423-I440 PolarHBondContact O-N 3.04Å; G423-H461 PolarHBondContact O-CE1 2.86Å; G423-H461 PolarHBondContact O-NE2 3.36Å
424G86.1Confident88.9Confident29 Ų2939.3 Ų39.330%0.29922%0.215SC..THydrogen-bonded Turntrans76.823.618000000115.3R422 H438R422-G424 VanDerWaalsContact C-N 3.33Å; R422-G424 PolarHBondContact O-N 2.71Å; G424-H438 VanDerWaalsContact CA-O 3.27Å; G424-H438 WeakPolarHBondContact CA-O 3.35Å; G424-H438 PolarHBondContact N-O 2.72Å
425Y88Confident88.9Confident60 Ų6036.2 Ų36.224%0.23520%0.202CC..  trans-43.3136175.9-174.5-112.1000112.3R422 D428 V458 H460R422-Y425 WeakPolarHBondContact O-CB 3.33Å; R422-Y425 PolarHBondContact O-N 3.03Å; R422-Y425 VanDerWaalsContact O-N 3.09Å; Y425-D428 HydrophobicContact CD1-CB 4Å; Y425-D428 PolarHBondContact O-N 2.89Å; Y425-V458 HydrophobicContact CD2-CB 4.38Å; Y425-V458 HydrophobicContact CD2-CG2 3.67Å; Y425-V458 HydrophobicContact CE2-CG2 4.42Å; Y425-V458 HydrophobicContact CG-CG2 4.19Å; Y425-H460 HydrophobicContact CD2-CB 3.8Å; Y425-H460 AromaticContact CD2-CD2 3.82Å; Y425-H460 AromaticContact CD2-CG 3.81Å; Y425-H460 HydrophobicContact CE2-CB 3.44Å; Y425-H460 VanDerWaalsContact CE2-CB 3.44Å; Y425-H460 AromaticContact CE2-CD2 3.97Å; Y425-H460 AromaticContact CE2-CG 3.51Å; Y425-H460 AromaticContact CE2-ND1 3.92Å
426P83.4Confident88.8Confident60 Ų6036.1 Ų36.139%0.3920%0.202SC..THydrogen-bonded Turntrans-56.7142.6-177.5-26.935.8000112.8D428 H460P426-D428 PolarHBondContact O-N 2.8Å; P426-H460 WeakPolarHBondContact CD-NE2 3.36Å
427N80.7Confident88.6Confident173 Ų17336.4 Ų36.493%0.92520%0.203SC*.THydrogen-bonded Turntrans60.2-2.5-179.1-53.4-43.1000116.2
428D80.9Confident88.4Confident25 Ų2540.1 Ų40.113%0.13422%0.22CC..  trans-89113.5170.4-167.4-5.9000109.4R422 Y425 P426 S430 K432R422-D428 WeakPolarHBondContact CD-OD2 3.45Å; R422-D428 IonicContact CZ-OD2 3.18Å; R422-D428 IonicContact NE-OD2 3.12Å; R422-D428 IonicContact NH1-OD1 2.9Å; R422-D428 IonicContact NH1-OD2 2.65Å; R422-D428 PolarHBondContact NH1-OD2 3.28Å; Y425-D428 HydrophobicContact CD1-CB 4Å; Y425-D428 PolarHBondContact O-N 2.89Å; P426-D428 PolarHBondContact O-N 2.8Å; D428-S430 WeakPolarHBondContact OD1-CA 3.19Å; D428-S430 WeakPolarHBondContact OD1-CB 3.32Å; D428-S430 PolarHBondContact OD1-N 2.95Å; D428-S430 PolarHBondContact OD1-OG 3.36Å; D428-S430 PolarHBondContact OD2-OG 3.04Å; D428-S430 VanDerWaalsContact OD2-OG 3.07Å; D428-K432 WeakPolarHBondContact O-CE 3.47Å; D428-K432 PolarHBondContact O-NZ 3.29Å
429S75.8Confident88.2Confident103 Ų10341.7 Ų41.772%0.7223%0.228SC*.  trans-93.6-4.8174.356.20000112.5H431S429-H431 PolarHBondContact O-N 3.42Å
430S74Confident88.1Confident37 Ų3742.2 Ų42.226%0.25923%0.231SC..THydrogen-bonded Turntrans-61.4132.2-17973.20000110.2D428 K432D428-S430 WeakPolarHBondContact OD1-CA 3.19Å; D428-S430 WeakPolarHBondContact OD1-CB 3.32Å; D428-S430 PolarHBondContact OD1-N 2.95Å; D428-S430 PolarHBondContact OD1-OG 3.36Å; D428-S430 PolarHBondContact OD2-OG 3.04Å; D428-S430 VanDerWaalsContact OD2-OG 3.07Å; S430-K432 PolarHBondContact O-N 2.96Å
431H77.1Confident88Confident47 Ų4744.8 Ų44.822%0.21824%0.242CC..THydrogen-bonded Turntrans64.76.5169.2-36.9-53.7000116.4I344 E345 S429 S433 D434 H437I344-H431 HydrophobicContact CD1-CB 3.68Å; I344-H431 WeakPolarHBondContact CD1-CD2 3.43Å; I344-H431 HydrophobicContact CG1-CB 4.1Å; I344-H431 WeakPolarHBondContact CG2-CE1 3.31Å; I344-H431 WeakPolarHBondContact CG2-ND1 3.36Å; I344-H431 WeakPolarHBondContact CG2-NE2 3.43Å; E345-H431 IonicContact OE1-CE1 3.17Å; E345-H431 PolarHBondContact OE1-CE1 2.87Å; E345-H431 IonicContact OE1-ND1 3.88Å; E345-H431 PolarHBondContact OE1-ND1 3.45Å; S429-H431 PolarHBondContact O-N 3.42Å; H431-S433 PolarHBondContact O-N 3.15Å; H431-S433 VanDerWaalsContact O-N 3.13Å; H431-D434 PolarHBondContact O-N 3.31Å; H431-D434 VanDerWaalsContact O-N 3.07Å; H431-H437 HydrophobicContact CB-CB 4.14Å; H431-H437 WeakPolarHBondContact O-CB 3.35Å
432K75.8Confident88Confident76 Ų7644.7 Ų44.733%0.3324%0.242SC..THydrogen-bonded Turntrans-64.3-15.9177.4-75.7-175.1169.7160.20114D428 S430 D434D428-K432 WeakPolarHBondContact O-CE 3.47Å; D428-K432 PolarHBondContact O-NZ 3.29Å; S430-K432 PolarHBondContact O-N 2.96Å; K432-D434 VanDerWaalsContact C-N 3.28Å
433S84.8Confident88.2Confident36 Ų3640 Ų4025%0.25222%0.224SC..THydrogen-bonded Turntrans-71.3-20.8174.148.80000112.9E353 H431E353-S433 PolarHBondContact OE1-OG 3.23Å; H431-S433 PolarHBondContact O-N 3.15Å; H431-S433 VanDerWaalsContact O-N 3.13Å
434D92.3Very high88.5Confident2 Ų239.8 Ų39.81%0.01122%0.222CC..SBendtrans-91.4120.5170.6-165-50.4000110.4T346 N349 H431 K432 R436 H437 H438T346-D434 PolarHBondContact OG1-OD2 2.97Å; N349-D434 HydrophobicContact CB-CB 4.13Å; H431-D434 PolarHBondContact O-N 3.31Å; H431-D434 VanDerWaalsContact O-N 3.07Å; K432-D434 VanDerWaalsContact C-N 3.28Å; D434-R436 PolarHBondContact O-N 3.35Å; D434-R436 VanDerWaalsContact OD1-CB 3.25Å; D434-R436 WeakPolarHBondContact OD1-CB 3.44Å; D434-R436 WeakPolarHBondContact OD1-CG 3.37Å; D434-R436 IonicContact OD1-CZ 3.18Å; D434-R436 PolarHBondContact OD1-N 3.26Å; D434-R436 IonicContact OD1-NE 3.87Å; D434-R436 PolarHBondContact OD1-NE 3.22Å; D434-R436 IonicContact OD1-NH2 2.71Å; D434-R436 IonicContact OD2-CZ 3.63Å; D434-R436 IonicContact OD2-NE 3.29Å; D434-R436 PolarHBondContact OD2-NE 2.82Å; D434-R436 IonicContact OD2-NH2 2.78Å; D434-R436 PolarHBondContact OD2-NH2 3.14Å; D434-H437 PolarHBondContact O-N 3.03Å; D434-H438 PolarHBondContact O-N 2.92Å
435P93.9Very high89.1Confident3 Ų338.7 Ų38.72%0.01921%0.21CC..THydrogen-bonded Turntrans-54.2-28.9178.8-29.637.1000114.2V49 P71 A74 Y348 H437 H438 S442V49-P435 HydrophobicContact CG1-CB 4Å; P71-P435 VanDerWaalsContact O-CG 3.24Å; P71-P435 WeakPolarHBondContact O-CG 3.37Å; A74-P435 HydrophobicContact CB-CB 4.33Å; Y348-P435 HydrophobicContact CE1-CG 3.71Å; P435-H437 PolarHBondContact O-N 3.06Å; P435-H438 PolarHBondContact O-N 3.04Å; P435-S442 WeakPolarHBondContact O-CB 3.47Å
436R95.7Very high89.5Confident0 Ų035.8 Ų35.80%020%0.198CC..THydrogen-bonded Turntrans-68.7-23.2179.7-61.1169.6-76.4-172.7-1112.2Y12 A74 T346 P402 D403 F419 D434 A443 W446Y12-R436 PolarHBondContact OH-NH1 2.8Å; A74-R436 HydrophobicContact CB-CG 3.68Å; T346-R436 PolarHBondContact OG1-NH2 2.86Å; P402-R436 VanDerWaalsContact CG-NH1 3.3Å; D403-R436 IonicContact OD1-CZ 3.29Å; D403-R436 IonicContact OD1-NH1 3.87Å; D403-R436 PolarHBondContact OD1-NH1 3.23Å; D403-R436 IonicContact OD1-NH2 3.16Å; F419-R436 HydrophobicContact CE1-CB 4.44Å; F419-R436 HydrophobicContact CZ-CB 4.19Å; D434-R436 PolarHBondContact O-N 3.35Å; D434-R436 VanDerWaalsContact OD1-CB 3.25Å; D434-R436 WeakPolarHBondContact OD1-CB 3.44Å; D434-R436 WeakPolarHBondContact OD1-CG 3.37Å; D434-R436 IonicContact OD1-CZ 3.18Å; D434-R436 PolarHBondContact OD1-N 3.26Å; D434-R436 IonicContact OD1-NE 3.87Å; D434-R436 PolarHBondContact OD1-NE 3.22Å; D434-R436 IonicContact OD1-NH2 2.71Å; D434-R436 IonicContact OD2-CZ 3.63Å; D434-R436 IonicContact OD2-NE 3.29Å; D434-R436 PolarHBondContact OD2-NE 2.82Å; D434-R436 IonicContact OD2-NH2 2.78Å; D434-R436 PolarHBondContact OD2-NH2 3.14Å; R436-A443 VanDerWaalsContact O-CA 3.32Å; R436-A443 WeakPolarHBondContact O-CA 3.45Å; R436-A443 PolarHBondContact O-N 3.11Å; R436-W446 HydrophobicContact CB-CB 4.37Å; R436-W446 HydrophobicContact CB-CG 4.21Å; R436-W446 VanDerWaalsContact CD-CD2 3.46Å; R436-W446 HydrophobicContact CG-CB 4.27Å; R436-W446 HydrophobicContact CG-CD2 3.8Å; R436-W446 HydrophobicContact CG-CE3 3.94Å; R436-W446 HydrophobicContact CG-CG 3.92Å
437H94.9Very high90.3Very high8 Ų833 Ų334%0.03718%0.18CC..THydrogen-bonded Turntrans-104.1-11.1178-70.6-75.4000114.1I344 F400 F419 I420 S421 H431 D434 P435 N439I344-H437 VanDerWaalsContact CD1-CE1 3.42Å; I344-H437 WeakPolarHBondContact CD1-CE1 3.38Å; F400-H437 PolarHBondContact O-CE1 2.98Å; F400-H437 PolarHBondContact O-NE2 3.07Å; F400-H437 VanDerWaalsContact O-NE2 3.1Å; F419-H437 AromaticContact CE2-CE1 3.32Å; F419-H437 WeakPolarHBondContact CE2-CE1 3.38Å; F419-H437 AromaticContact CE2-NE2 3.56Å; F419-H437 AromaticContact CZ-CE1 3.18Å; F419-H437 WeakPolarHBondContact CZ-CE1 3.3Å; F419-H437 AromaticContact CZ-ND1 3.69Å; F419-H437 AromaticContact CZ-NE2 3.41Å; F419-H437 WeakPolarHBondContact CZ-NE2 3.42Å; I420-H437 PolarHBondContact O-CE1 2.86Å; S421-H437 PolarHBondContact OG-ND1 2.87Å; H431-H437 HydrophobicContact CB-CB 4.14Å; H431-H437 WeakPolarHBondContact O-CB 3.35Å; D434-H437 PolarHBondContact O-N 3.03Å; P435-H437 PolarHBondContact O-N 3.06Å; H437-N439 VanDerWaalsContact C-N 3.35Å; H437-N439 PolarHBondContact O-N 2.86Å
438H93.6Very high91.1Very high77 Ų7729.2 Ų29.236%0.35616%0.157SC..SBendtrans-53.3-46.3-169.1-174.987.2000114.1V49 G424 D434 P435V49-H438 HydrophobicContact CB-CB 4.37Å; V49-H438 HydrophobicContact CG1-CB 3.64Å; V49-H438 VanDerWaalsContact CG1-CG 3.45Å; G424-H438 VanDerWaalsContact CA-O 3.27Å; G424-H438 WeakPolarHBondContact CA-O 3.35Å; G424-H438 PolarHBondContact N-O 2.72Å; D434-H438 PolarHBondContact O-N 2.92Å; P435-H438 PolarHBondContact O-N 3.04Å
439N94.4Very high91.9Very high34 Ų3428.6 Ų28.618%0.18215%0.153CC..SBendtrans-144.4168172.168.563.7000110.6V49 G423 H437 F441 S442 A443V49-N439 PolarHBondContact O-ND2 3.22Å; G423-N439 VanDerWaalsContact C-CA 3.47Å; G423-N439 VanDerWaalsContact CA-C 3.5Å; G423-N439 CarbonylContact O-C 3.51Å; G423-N439 WeakPolarHBondContact O-CA 3.49Å; H437-N439 VanDerWaalsContact C-N 3.35Å; H437-N439 PolarHBondContact O-N 2.86Å; N439-F441 VanDerWaalsContact C-N 3.31Å; N439-F441 PolarHBondContact O-N 3.01Å; N439-F441 WeakPolarHBondContact OD1-CA 3.3Å; N439-F441 WeakPolarHBondContact OD1-CB 3.22Å; N439-F441 PolarHBondContact OD1-N 2.96Å; N439-S442 PolarHBondContact ND2-OG 3.49Å; N439-S442 PolarHBondContact O-N 2.56Å; N439-S442 PolarHBondContact OD1-N 2.93Å; N439-S442 PolarHBondContact OD1-OG 2.93Å; N439-A443 PolarHBondContact O-N 3.23Å; N439-A443 VanDerWaalsContact O-N 3.15Å
440I96.2Very high92.9Very high11 Ų1124 Ų246%0.05612%0.121CC..Hα-helixtrans-62.9-34.6-176.4-17057.1000113.1G423 A443 T444 I455 T457 L476G423-I440 PolarHBondContact O-N 3.04Å; I440-A443 WeakPolarHBondContact O-CB 3.47Å; I440-A443 PolarHBondContact O-N 3.25Å; I440-T444 WeakPolarHBondContact O-CG2 3.41Å; I440-T444 PolarHBondContact O-N 3.08Å; I440-I455 HydrophobicContact CD1-CD1 3.74Å; I440-T457 HydrophobicContact CD1-CG2 4.02Å; I440-T457 WeakPolarHBondContact CD1-OG1 3.27Å; I440-L476 HydrophobicContact CG1-CD1 3.69Å; I440-L476 HydrophobicContact CG1-CD2 3.84Å; I440-L476 HydrophobicContact CG1-CG 4.45Å; I440-L476 HydrophobicContact CG2-CD1 4.17Å; I440-L476 HydrophobicContact CG2-CD2 4.32Å
441F97.4Very high94Very high54 Ų5427.2 Ų27.224%0.23714%0.135CC..Hα-helixtrans-72.3-31.4178.9-62.2-79.7000112.8P51 N439 A443 T444 S445 L476 D479P51-F441 HydrophobicContact CB-CB 3.82Å; P51-F441 HydrophobicContact CG-CB 3.72Å; P51-F441 HydrophobicContact CG-CG 4.4Å; N439-F441 VanDerWaalsContact C-N 3.31Å; N439-F441 PolarHBondContact O-N 3.01Å; N439-F441 WeakPolarHBondContact OD1-CA 3.3Å; N439-F441 WeakPolarHBondContact OD1-CB 3.22Å; N439-F441 PolarHBondContact OD1-N 2.96Å; F441-A443 VanDerWaalsContact C-N 3.35Å; F441-T444 WeakPolarHBondContact CA-OG1 3.4Å; F441-T444 PolarHBondContact O-OG1 2.8Å; F441-S445 VanDerWaalsContact O-CB 3.28Å; F441-S445 WeakPolarHBondContact O-CB 3.29Å; F441-S445 PolarHBondContact O-N 3.46Å; F441-S445 PolarHBondContact O-OG 3.33Å; F441-L476 HydrophobicContact CE1-CB 4.46Å; F441-L476 HydrophobicContact CE1-CD1 4.39Å; F441-L476 HydrophobicContact CZ-CB 4.44Å; F441-D479 HydrophobicContact CD1-CB 4.06Å; F441-D479 HydrophobicContact CE1-CB 3.98Å
442S96.9Very high95Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-67.1-39.1170-57.70000110.7C47 S48 V49 P435 N439 S445 W446C47-S442 PolarHBondContact SG-O 3.47Å; C47-S442 VanDerWaalsContact SG-O 3.35Å; S48-S442 PolarHBondContact O-OG 3.28Å; V49-S442 WeakPolarHBondContact CA-OG 3.08Å; V49-S442 PolarHBondContact O-OG 3.37Å; P435-S442 WeakPolarHBondContact O-CB 3.47Å; N439-S442 PolarHBondContact ND2-OG 3.49Å; N439-S442 PolarHBondContact O-N 2.56Å; N439-S442 PolarHBondContact OD1-N 2.93Å; N439-S442 PolarHBondContact OD1-OG 2.93Å; S442-S445 PolarHBondContact O-N 2.97Å; S442-W446 WeakPolarHBondContact O-CB 3.32Å; S442-W446 PolarHBondContact O-N 2.89Å
443A97.6Very high96.1Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-65.1-42.9175.900000112.7F419 R436 N439 I440 F441 S445 W446 A447F419-A443 HydrophobicContact CD1-CB 4.13Å; F419-A443 HydrophobicContact CE1-CB 3.83Å; R436-A443 VanDerWaalsContact O-CA 3.32Å; R436-A443 WeakPolarHBondContact O-CA 3.45Å; R436-A443 PolarHBondContact O-N 3.11Å; N439-A443 PolarHBondContact O-N 3.23Å; N439-A443 VanDerWaalsContact O-N 3.15Å; I440-A443 WeakPolarHBondContact O-CB 3.47Å; I440-A443 PolarHBondContact O-N 3.25Å; F441-A443 VanDerWaalsContact C-N 3.35Å; A443-S445 VanDerWaalsContact C-N 3.35Å; A443-W446 PolarHBondContact O-N 3.47Å; A443-A447 PolarHBondContact O-N 2.99Å
444T98.5Very high96.7Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-65.6-38.6173.962.40000111.6I440 F441 A447 H448 I455 L476 D479 L480 K483 L485I440-T444 WeakPolarHBondContact O-CG2 3.41Å; I440-T444 PolarHBondContact O-N 3.08Å; F441-T444 WeakPolarHBondContact CA-OG1 3.4Å; F441-T444 PolarHBondContact O-OG1 2.8Å; T444-A447 PolarHBondContact O-N 2.89Å; T444-H448 WeakPolarHBondContact O-CB 3.47Å; T444-H448 PolarHBondContact O-N 2.94Å; T444-I455 HydrophobicContact CG2-CD1 3.85Å; T444-L476 HydrophobicContact CG2-CD1 4.17Å; T444-D479 VanDerWaalsContact CB-OD2 3.31Å; T444-D479 WeakPolarHBondContact CB-OD2 3.36Å; T444-D479 PolarHBondContact OG1-OD2 3.21Å; T444-L480 HydrophobicContact CG2-CD2 3.57Å; T444-L480 HydrophobicContact CG2-CG 4.14Å; T444-K483 PolarHBondContact OG1-NZ 3.1Å; T444-L485 HydrophobicContact CG2-CD1 4.5Å; T444-L485 WeakPolarHBondContact O-CD1 3.38Å
445S98.4Very high97.1Very high6 Ų622.1 Ų22.14%0.04211%0.11CC..Hα-helixtrans-64.4-43.4177.1-58.70000111.4F441 S442 A443 H448 I449 K483F441-S445 VanDerWaalsContact O-CB 3.28Å; F441-S445 WeakPolarHBondContact O-CB 3.29Å; F441-S445 PolarHBondContact O-N 3.46Å; F441-S445 PolarHBondContact O-OG 3.33Å; S442-S445 PolarHBondContact O-N 2.97Å; A443-S445 VanDerWaalsContact C-N 3.35Å; S445-H448 PolarHBondContact O-N 2.76Å; S445-I449 VanDerWaalsContact O-CB 3.32Å; S445-I449 WeakPolarHBondContact O-CB 2.97Å; S445-I449 WeakPolarHBondContact O-CD1 3.26Å; S445-I449 WeakPolarHBondContact O-CG1 3.49Å; S445-I449 PolarHBondContact O-N 3.49Å; S445-K483 PolarHBondContact OG-NZ 3.34Å
446W98.3Very high97.3Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-58.9-50.6174.1178.5-114000112Y12 F45 C47 P402 F419 R436 S442 A443 H448 I449 M450Y12-W446 AromaticContact CE1-CH2 3.71Å; Y12-W446 HydrophobicContact CE1-CH2 3.71Å; Y12-W446 HydrophobicContact CE1-CZ3 4.13Å; Y12-W446 AromaticContact CZ-CH2 3.86Å; Y12-W446 WeakPolarHBondContact OH-CH2 3.35Å; Y12-W446 WeakPolarHBondContact OH-CZ2 3.29Å; F45-W446 HydrophobicContact CD2-CZ3 4.18Å; F45-W446 HydrophobicContact CE2-CH2 4.39Å; F45-W446 AromaticContact CE2-CZ3 3.93Å; F45-W446 HydrophobicContact CE2-CZ3 3.93Å; C47-W446 HydrophobicContact CB-CE3 3.88Å; P402-W446 HydrophobicContact CB-CZ2 4.27Å; F419-W446 AromaticContact CD1-CD1 3.81Å; F419-W446 HydrophobicContact CE1-CB 4.48Å; F419-W446 AromaticContact CE1-CD1 3.79Å; F419-W446 HydrophobicContact CE1-CG 4.45Å; R436-W446 HydrophobicContact CB-CB 4.37Å; R436-W446 HydrophobicContact CB-CG 4.21Å; R436-W446 VanDerWaalsContact CD-CD2 3.46Å; R436-W446 HydrophobicContact CG-CB 4.27Å; R436-W446 HydrophobicContact CG-CD2 3.8Å; R436-W446 HydrophobicContact CG-CE3 3.94Å; R436-W446 HydrophobicContact CG-CG 3.92Å; S442-W446 WeakPolarHBondContact O-CB 3.32Å; S442-W446 PolarHBondContact O-N 2.89Å; A443-W446 PolarHBondContact O-N 3.47Å; W446-H448 VanDerWaalsContact C-N 3.29Å; W446-H448 PolarHBondContact O-N 3Å; W446-I449 PolarHBondContact O-N 2.92Å; W446-M450 HydrophobicContact CD2-CG 3.9Å; W446-M450 HydrophobicContact CE3-CE 4.07Å; W446-M450 HydrophobicContact CE3-CG 3.96Å; W446-M450 HydrophobicContact CH2-CE 3.21Å; W446-M450 HydrophobicContact CH2-CG 3.47Å; W446-M450 VanDerWaalsContact CH2-CG 3.47Å; W446-M450 HydrophobicContact CH2-SD 3.78Å; W446-M450 HydrophobicContact CZ2-CE 4.2Å; W446-M450 HydrophobicContact CZ2-CG 3.45Å; W446-M450 VanDerWaalsContact CZ2-CG 3.45Å; W446-M450 HydrophobicContact CZ2-SD 4.24Å; W446-M450 HydrophobicContact CZ3-CE 3.16Å; W446-M450 HydrophobicContact CZ3-CG 3.77Å; W446-M450 HydrophobicContact CZ3-SD 4.17Å; W446-M450 PolarHBondContact O-N 3.38Å
447A98.6Very high97.4Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-58.5-42.3179.300000111.9A443 T444 N451 L452 I455 L485A443-A447 PolarHBondContact O-N 2.99Å; T444-A447 PolarHBondContact O-N 2.89Å; A447-N451 PolarHBondContact O-N 2.89Å; A447-N451 VanDerWaalsContact O-N 3.16Å; A447-L452 HydrophobicContact CB-CB 4.14Å; A447-L452 HydrophobicContact CB-CD1 4.15Å; A447-L452 HydrophobicContact CB-CG 4.47Å; A447-L452 WeakPolarHBondContact O-CB 3.39Å; A447-L452 PolarHBondContact O-N 3.29Å; A447-I455 HydrophobicContact CB-CG2 3.7Å; A447-L485 HydrophobicContact CB-CD1 4.1Å; A447-L485 HydrophobicContact CB-CD2 4.16Å
448H98.3Very high97.4Very high94 Ų9422.4 Ų22.444%0.43511%0.112SC..Hα-helixtrans-65.8-49.5176-179.870.3000112.6T444 S445 W446 M450 N451 K483 L485T444-H448 WeakPolarHBondContact O-CB 3.47Å; T444-H448 PolarHBondContact O-N 2.94Å; S445-H448 PolarHBondContact O-N 2.76Å; W446-H448 VanDerWaalsContact C-N 3.29Å; W446-H448 PolarHBondContact O-N 3Å; H448-M450 VanDerWaalsContact C-N 3.27Å; H448-M450 PolarHBondContact O-N 2.89Å; H448-N451 PolarHBondContact O-N 3.37Å; H448-K483 HydrophobicContact CB-CB 4.02Å; H448-K483 HydrophobicContact CB-CD 3.99Å; H448-K483 HydrophobicContact CB-CG 3.92Å; H448-K483 PolarHBondContact ND1-O 3.03Å; H448-L485 HydrophobicContact CB-CD1 4.42Å
449I97.7Very high97.5Very high12 Ų1218.8 Ų18.86%0.06210%0.096CC..Hα-helixtrans-56.7-42.4179.3-75.6166.6000111.1M43 F45 S46 C47 S445 W446 N451M43-I449 HydrophobicContact CE-CG2 4.44Å; F45-I449 HydrophobicContact CB-CG2 3.75Å; F45-I449 HydrophobicContact CG-CG2 4.29Å; S46-I449 WeakPolarHBondContact O-CD1 3.31Å; C47-I449 HydrophobicContact CB-CD1 4.13Å; S445-I449 VanDerWaalsContact O-CB 3.32Å; S445-I449 WeakPolarHBondContact O-CB 2.97Å; S445-I449 WeakPolarHBondContact O-CD1 3.26Å; S445-I449 WeakPolarHBondContact O-CG1 3.49Å; S445-I449 PolarHBondContact O-N 3.49Å; W446-I449 PolarHBondContact O-N 2.92Å; I449-N451 VanDerWaalsContact C-N 3.26Å; I449-N451 PolarHBondContact O-N 3.24Å
450M97.1Very high97.6Very high8 Ų818.1 Ų18.14%0.0399%0.091CC..THydrogen-bonded Turntrans-89.210.3-179.2-62.5-58.2154.600113.3M43 F45 L406 W446 H448 L452M43-M450 HydrophobicContact CE-CE 3.79Å; M43-M450 HydrophobicContact CE-SD 3.83Å; F45-M450 HydrophobicContact CB-CE 4.36Å; F45-M450 HydrophobicContact CD1-CE 3.69Å; F45-M450 HydrophobicContact CD2-CE 3.62Å; F45-M450 HydrophobicContact CE1-CE 3.78Å; F45-M450 HydrophobicContact CE2-CE 3.74Å; F45-M450 HydrophobicContact CG-CE 3.61Å; F45-M450 HydrophobicContact CZ-CE 3.81Å; L406-M450 HydrophobicContact CD1-CB 4.32Å; L406-M450 HydrophobicContact CD1-CG 4.29Å; L406-M450 HydrophobicContact CD1-SD 3.71Å; L406-M450 HydrophobicContact CD2-SD 4.37Å; W446-M450 HydrophobicContact CD2-CG 3.9Å; W446-M450 HydrophobicContact CE3-CE 4.07Å; W446-M450 HydrophobicContact CE3-CG 3.96Å; W446-M450 HydrophobicContact CH2-CE 3.21Å; W446-M450 HydrophobicContact CH2-CG 3.47Å; W446-M450 VanDerWaalsContact CH2-CG 3.47Å; W446-M450 HydrophobicContact CH2-SD 3.78Å; W446-M450 HydrophobicContact CZ2-CE 4.2Å; W446-M450 HydrophobicContact CZ2-CG 3.45Å; W446-M450 VanDerWaalsContact CZ2-CG 3.45Å; W446-M450 HydrophobicContact CZ2-SD 4.24Å; W446-M450 HydrophobicContact CZ3-CE 3.16Å; W446-M450 HydrophobicContact CZ3-CG 3.77Å; W446-M450 HydrophobicContact CZ3-SD 4.17Å; W446-M450 PolarHBondContact O-N 3.38Å; H448-M450 VanDerWaalsContact C-N 3.27Å; H448-M450 PolarHBondContact O-N 2.89Å; M450-L452 VanDerWaalsContact C-N 3.26Å; M450-L452 HydrophobicContact CB-CD2 4.5Å; M450-L452 HydrophobicContact CB-CG 4.31Å; M450-L452 PolarHBondContact O-N 3.37Å
451N96.8Very high97.5Very high103 Ų10318.7 Ų18.755%0.5519%0.094SC*.THydrogen-bonded Turntrans54.839.5175.7-168.820.6000113R409 A447 H448 I449R409-N451 WeakPolarHBondContact CD-O 3.37Å; R409-N451 VanDerWaalsContact CZ-O 3.29Å; R409-N451 PolarHBondContact NE-O 2.83Å; R409-N451 PolarHBondContact NH2-ND2 3Å; R409-N451 PolarHBondContact NH2-O 3.06Å; A447-N451 PolarHBondContact O-N 2.89Å; A447-N451 VanDerWaalsContact O-N 3.16Å; H448-N451 PolarHBondContact O-N 3.37Å; I449-N451 VanDerWaalsContact C-N 3.26Å; I449-N451 PolarHBondContact O-N 3.24Å
452L98.4Very high97.4Very high9 Ų916.1 Ų16.15%0.0478%0.083CC..  trans-74.8162173-55.9-173000110.5C405 R409 V417 F419 A447 M450 G454C405-L452 HydrophobicContact CB-CD1 3.84Å; C405-L452 HydrophobicContact CB-CD2 4.3Å; R409-L452 HydrophobicContact CB-CD2 3.71Å; R409-L452 HydrophobicContact CG-CD2 4.01Å; V417-L452 HydrophobicContact CB-CD2 4.35Å; V417-L452 HydrophobicContact CG1-CD2 4.1Å; F419-L452 HydrophobicContact CB-CD1 3.65Å; A447-L452 HydrophobicContact CB-CB 4.14Å; A447-L452 HydrophobicContact CB-CD1 4.15Å; A447-L452 HydrophobicContact CB-CG 4.47Å; A447-L452 WeakPolarHBondContact O-CB 3.39Å; A447-L452 PolarHBondContact O-N 3.29Å; M450-L452 VanDerWaalsContact C-N 3.26Å; M450-L452 HydrophobicContact CB-CD2 4.5Å; M450-L452 HydrophobicContact CB-CG 4.31Å; M450-L452 PolarHBondContact O-N 3.37Å; L452-G454 VanDerWaalsContact C-N 3.33Å
453N98.3Very high97.3Very high45 Ų4516.3 Ų16.324%0.2418%0.084CC..SBendtrans-78.5-18.8-178.7-6593000113.1L161 P416 V417 L418 S486L161-N453 HydrophobicContact CD1-CB 4.49Å; P416-N453 VanDerWaalsContact CA-OD1 3.26Å; P416-N453 WeakPolarHBondContact CA-OD1 3.44Å; P416-N453 HydrophobicContact CB-CB 3.97Å; V417-N453 PolarHBondContact N-OD1 3.49Å; V417-N453 PolarHBondContact O-N 3.23Å; L418-N453 HydrophobicContact CD2-CB 4.12Å; N453-S486 WeakPolarHBondContact O-CB 3.12Å; N453-S486 PolarHBondContact O-N 3.2Å; N453-S486 VanDerWaalsContact O-N 3.08Å
454G98.6Very high97.2Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans168.5-166-177.400000113.6L418 F419 L452 S486L418-G454 WeakPolarHBondContact CA-O 3.1Å; F419-G454 PolarHBondContact N-O 2.97Å; L452-G454 VanDerWaalsContact C-N 3.33Å; G454-S486 CarbonylContact C-O 3.48Å; G454-S486 WeakPolarHBondContact CA-O 3.41Å
455I98.7Very high96.8Very high1 Ų118.8 Ų18.81%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-128.4159.5177.862.6159000111.8F419 I440 T444 A447 T457 L480 S486 C487 F488F419-I455 HydrophobicContact CB-CG2 4.49Å; F419-I455 CarbonylContact O-C 3.54Å; F419-I455 WeakPolarHBondContact O-CA 3.12Å; F419-I455 WeakPolarHBondContact O-CB 3.39Å; I440-I455 HydrophobicContact CD1-CD1 3.74Å; T444-I455 HydrophobicContact CG2-CD1 3.85Å; A447-I455 HydrophobicContact CB-CG2 3.7Å; I455-T457 HydrophobicContact CD1-CG2 4.33Å; I455-L480 HydrophobicContact CD1-CD2 3.93Å; I455-L480 HydrophobicContact CG1-CD2 3.96Å; I455-S486 PolarHBondContact N-O 3.06Å; I455-C487 HydrophobicContact CG1-CB 4.42Å; I455-C487 WeakPolarHBondContact O-CA 3.49Å; I455-F488 PolarHBondContact O-N 3.07Å
456V98.7Very high95.7Very high4 Ų425.5 Ų25.52%0.02414%0.136CC..EExtended strand (participates in β ladder)trans-118.7129.5164-173.50000107.6L418 F419 I420 S421 F488 Y490 I512L418-V456 HydrophobicContact CB-CG2 3.88Å; L418-V456 HydrophobicContact CD1-CG2 3.8Å; F419-V456 PolarHBondContact O-N 3.04Å; I420-V456 WeakPolarHBondContact CA-O 3.42Å; I420-V456 HydrophobicContact CB-CB 4.28Å; I420-V456 HydrophobicContact CG1-CB 3.95Å; I420-V456 HydrophobicContact CG1-CG2 4.13Å; I420-V456 HydrophobicContact CG2-CB 4.05Å; I420-V456 HydrophobicContact CG2-CG1 4.28Å; S421-V456 PolarHBondContact N-O 3.13Å; V456-F488 CarbonylContact C-O 3.43Å; V456-F488 WeakPolarHBondContact CA-O 3.18Å; V456-F488 HydrophobicContact CB-CB 4.46Å; V456-F488 HydrophobicContact CG1-CB 4.19Å; V456-F488 HydrophobicContact CG2-CB 4.15Å; V456-Y490 HydrophobicContact CG1-CD1 3.79Å; V456-Y490 HydrophobicContact CG1-CE1 4.22Å; V456-I512 HydrophobicContact CG1-CD1 3.83Å
457T97.8Very high94.8Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-144.4172.8-177.7-160.50000113S421 I440 I455 H461 F462 F488 V489 Y490S421-T457 WeakPolarHBondContact O-CA 3.27Å; S421-T457 VanDerWaalsContact O-CB 3.32Å; S421-T457 WeakPolarHBondContact O-CB 3.48Å; S421-T457 PolarHBondContact O-OG1 3.27Å; I440-T457 HydrophobicContact CD1-CG2 4.02Å; I440-T457 WeakPolarHBondContact CD1-OG1 3.27Å; I455-T457 HydrophobicContact CD1-CG2 4.33Å; T457-H461 PolarHBondContact OG1-CD2 2.91Å; T457-H461 VanDerWaalsContact OG1-CD2 3.23Å; T457-F462 HydrophobicContact CG2-CE2 3.88Å; T457-F488 PolarHBondContact N-O 2.96Å; T457-V489 HydrophobicContact CG2-CG1 4.29Å; T457-V489 CarbonylContact O-C 3.57Å; T457-V489 WeakPolarHBondContact O-CA 3.46Å; T457-Y490 WeakPolarHBondContact O-CD1 3.46Å; T457-Y490 PolarHBondContact O-N 2.71Å
458V95.6Very high94.2Very high13 Ų1332.4 Ų32.48%0.07917%0.173CC..EExtended strand (participates in β ladder)trans-71.2138.1177.2-67.10000110.8R422 Y425 H460 H461 Y490R422-V458 HydrophobicContact CG-CG1 4.18Å; Y425-V458 HydrophobicContact CD2-CB 4.38Å; Y425-V458 HydrophobicContact CD2-CG2 3.67Å; Y425-V458 HydrophobicContact CE2-CG2 4.42Å; Y425-V458 HydrophobicContact CG-CG2 4.19Å; V458-H460 HydrophobicContact CG2-CB 4.2Å; V458-H460 PolarHBondContact O-N 2.58Å; V458-H461 VanDerWaalsContact CG2-CD2 3.48Å; V458-H461 WeakPolarHBondContact CG2-CD2 3.47Å; V458-H461 PolarHBondContact O-N 3.26Å; V458-Y490 CarbonylContact C-O 3.58Å; V458-Y490 WeakPolarHBondContact CA-O 3.31Å; V458-Y490 HydrophobicContact CG1-CE1 4.2Å; V458-Y490 HydrophobicContact CG1-CE2 4.16Å
459G96Very high93.8Very high1 Ų130.8 Ų30.81%0.0117%0.168CC..G310 helixtrans-59.5-18.617900000114.2H461 F462 G463 S464 Y490G459-H461 PolarHBondContact O-N 2.97Å; G459-F462 CarbonylContact O-C 3.51Å; G459-F462 WeakPolarHBondContact O-CA 3.39Å; G459-F462 PolarHBondContact O-N 3.24Å; G459-G463 PolarHBondContact O-N 2.9Å; G459-S464 WeakPolarHBondContact O-CB 3.25Å; G459-S464 PolarHBondContact O-N 2.97Å; G459-S464 VanDerWaalsContact O-N 3.11Å; G459-S464 PolarHBondContact O-OG 3Å; G459-Y490 PolarHBondContact N-O 3.15Å
460H95.2Very high93.5Very high20 Ų2035.3 Ų35.39%0.09319%0.192CC..G310 helixtrans-54-39.9176.6172.787.1000112.7Y425 P426 V458 F462 G463 S464 T465 V468Y425-H460 HydrophobicContact CD2-CB 3.8Å; Y425-H460 AromaticContact CD2-CD2 3.82Å; Y425-H460 AromaticContact CD2-CG 3.81Å; Y425-H460 HydrophobicContact CE2-CB 3.44Å; Y425-H460 VanDerWaalsContact CE2-CB 3.44Å; Y425-H460 AromaticContact CE2-CD2 3.97Å; Y425-H460 AromaticContact CE2-CG 3.51Å; Y425-H460 AromaticContact CE2-ND1 3.92Å; P426-H460 WeakPolarHBondContact CD-NE2 3.36Å; V458-H460 HydrophobicContact CG2-CB 4.2Å; V458-H460 PolarHBondContact O-N 2.58Å; H460-F462 PolarHBondContact O-N 3.49Å; H460-G463 WeakPolarHBondContact O-CA 3.32Å; H460-G463 PolarHBondContact O-N 2.94Å; H460-S464 PolarHBondContact N-OG 2.77Å; H460-T465 PolarHBondContact ND1-OG1 2.91Å; H460-V468 WeakPolarHBondContact NE2-CG2 3.41Å; H460-V468 WeakPolarHBondContact O-CG2 3.46Å
461H95.4Very high93.3Very high22 Ų2244.2 Ų44.210%0.10223%0.225CC..G310 helixtrans-60.8-18.2177.5-66.8-54000113.6R422 G423 T457 V458 G459 L476R422-H461 PolarHBondContact O-NE2 3.4Å; G423-H461 PolarHBondContact O-CE1 2.86Å; G423-H461 PolarHBondContact O-NE2 3.36Å; T457-H461 PolarHBondContact OG1-CD2 2.91Å; T457-H461 VanDerWaalsContact OG1-CD2 3.23Å; V458-H461 VanDerWaalsContact CG2-CD2 3.48Å; V458-H461 WeakPolarHBondContact CG2-CD2 3.47Å; V458-H461 PolarHBondContact O-N 3.26Å; G459-H461 PolarHBondContact O-N 2.97Å; H461-L476 HydrophobicContact CB-CD2 3.69Å
462F95.8Very high93.1Very high1 Ų144.6 Ų44.60%0.00422%0.224CC..G310 helixtrans-111.513.8175.5-58.8-78.9000112.2T457 G459 H460 I473 L476 L480 V489 F499 K502 L506 L508T457-F462 HydrophobicContact CG2-CE2 3.88Å; G459-F462 CarbonylContact O-C 3.51Å; G459-F462 WeakPolarHBondContact O-CA 3.39Å; G459-F462 PolarHBondContact O-N 3.24Å; H460-F462 PolarHBondContact O-N 3.49Å; F462-I473 HydrophobicContact CD1-CG2 4.25Å; F462-L476 HydrophobicContact CD1-CD2 4.46Å; F462-L476 HydrophobicContact CE1-CD2 3.73Å; F462-L476 HydrophobicContact CE1-CG 3.96Å; F462-L476 HydrophobicContact CE2-CD2 3.9Å; F462-L476 HydrophobicContact CZ-CD2 3.41Å; F462-L476 VanDerWaalsContact CZ-CD2 3.41Å; F462-L476 HydrophobicContact CZ-CG 3.83Å; F462-L480 HydrophobicContact CE1-CD1 4.3Å; F462-L480 HydrophobicContact CZ-CD1 3.75Å; F462-V489 HydrophobicContact CD2-CG1 3.5Å; F462-V489 HydrophobicContact CE2-CG1 3.68Å; F462-F499 HydrophobicContact CB-CE2 3.95Å; F462-F499 HydrophobicContact CB-CZ 4.12Å; F462-K502 WeakPolarHBondContact O-CD 3.33Å; F462-K502 WeakPolarHBondContact O-CE 3.44Å; F462-K502 PolarHBondContact O-NZ 3.17Å; F462-L506 HydrophobicContact CB-CD1 4.13Å; F462-L506 HydrophobicContact CD1-CD1 3.97Å; F462-L506 HydrophobicContact CG-CD1 4.47Å; F462-L508 HydrophobicContact CB-CD1 4.35Å; F462-L508 HydrophobicContact CD1-CD1 4.25Å; F462-L508 HydrophobicContact CD1-CD2 4.06Å; F462-L508 HydrophobicContact CD2-CD1 4.08Å; F462-L508 HydrophobicContact CE1-CD2 3.74Å; F462-L508 HydrophobicContact CE2-CD1 4.44Å; F462-L508 HydrophobicContact CE2-CD2 4.39Å; F462-L508 HydrophobicContact CG-CD1 3.95Å; F462-L508 HydrophobicContact CZ-CD2 3.91Å
463G94.4Very high93Very high3 Ų344.3 Ų44.33%0.03122%0.222CC..THydrogen-bonded Turntrans70.94317600000114.3G459 H460G459-G463 PolarHBondContact O-N 2.9Å; H460-G463 WeakPolarHBondContact O-CA 3.32Å; H460-G463 PolarHBondContact O-N 2.94Å
464S94.2Very high92.8Very high15 Ų1549.1 Ų49.111%0.10524%0.241CC..SBendtrans-66-25.5168.665.50000113.2G459 H460 D492 F499G459-S464 WeakPolarHBondContact O-CB 3.25Å; G459-S464 PolarHBondContact O-N 2.97Å; G459-S464 VanDerWaalsContact O-N 3.11Å; G459-S464 PolarHBondContact O-OG 3Å; H460-S464 PolarHBondContact N-OG 2.77Å; S464-D492 VanDerWaalsContact CB-O 3.23Å; S464-D492 WeakPolarHBondContact CB-O 3.29Å; S464-D492 PolarHBondContact OG-O 3.14Å; S464-F499 VanDerWaalsContact CA-CD2 3.44Å
465T89.8Confident92.6Very high38 Ų3852.1 Ų52.123%0.23326%0.262CS..SBendtrans-107.19.2178.665.90000114.1H460 D467 D492H460-T465 PolarHBondContact ND1-OG1 2.91Å; T465-D467 WeakPolarHBondContact CB-OD2 3.33Å; T465-D467 PolarHBondContact O-N 2.62Å; T465-D467 PolarHBondContact OG1-OD2 3.35Å; T465-D492 HydrophobicContact CG2-CB 4.03Å
466N76Confident92.5Very high147 Ų14752.3 Ų52.379%0.78626%0.263SS*.SBendtrans60.817.6-178.6-61.1-44.7000116.8
467D80.2Confident92.3Very high120 Ų12052.4 Ų52.464%0.64227%0.265SS*.  trans-100.50.7-177.5-56.1-55.6000114.4T465T465-D467 WeakPolarHBondContact CB-OD2 3.33Å; T465-D467 PolarHBondContact O-N 2.62Å; T465-D467 PolarHBondContact OG1-OD2 3.35Å
468V86.5Confident92.2Very high24 Ų2454.7 Ų54.715%0.14528%0.284CS..SBendtrans-117.2132.6-174.4179.60000109.9H460 Q472 I473H460-V468 WeakPolarHBondContact NE2-CG2 3.41Å; H460-V468 WeakPolarHBondContact O-CG2 3.46Å; V468-Q472 HydrophobicContact CG1-CB 3.75Å; V468-I473 HydrophobicContact CG1-CD1 4.49Å; V468-I473 HydrophobicContact CG1-CG1 3.89Å
469D88.9Confident92.3Very high61 Ų6155.5 Ų55.533%0.32629%0.288SS..  trans-74.2152.8-17888.715.2000112.2R471 Q472 I473D469-R471 PolarHBondContact O-N 2.96Å; D469-R471 VanDerWaalsContact O-N 3.12Å; D469-R471 WeakPolarHBondContact OD1-CA 3.37Å; D469-R471 WeakPolarHBondContact OD1-CB 3.15Å; D469-R471 PolarHBondContact OD1-N 2.93Å; D469-R471 IonicContact OD2-CZ 2.83Å; D469-R471 IonicContact OD2-NE 3.11Å; D469-R471 PolarHBondContact OD2-NE 2.95Å; D469-R471 IonicContact OD2-NH2 3.49Å; D469-R471 PolarHBondContact OD2-NH2 2.95Å; D469-Q472 PolarHBondContact O-N 3.48Å; D469-Q472 WeakPolarHBondContact OD1-CG 3.28Å; D469-Q472 PolarHBondContact OD1-N 2.82Å; D469-I473 WeakPolarHBondContact O-CG1 3.44Å; D469-I473 PolarHBondContact O-N 2.87Å
470D90.6Very high92.3Very high107 Ų10755.4 Ų55.457%0.57229%0.287SS*.Hα-helixtrans-62.2-21.6-178.2-78.2-16.1000113.4K474D470-K474 WeakPolarHBondContact O-CB 3.37Å; D470-K474 VanDerWaalsContact O-CG 3.22Å; D470-K474 WeakPolarHBondContact O-CG 3.22Å; D470-K474 PolarHBondContact O-N 3.4Å; D470-K474 VanDerWaalsContact O-N 3.08Å
471R93.4Very high92.4Very high194 Ų19456.2 Ų56.273%0.73229%0.291SS*.Hα-helixtrans-74.3-41.8178.6-65.5-178.8-66.5-166.6-2.6110.6D469 K474 S475D469-R471 PolarHBondContact O-N 2.96Å; D469-R471 VanDerWaalsContact O-N 3.12Å; D469-R471 WeakPolarHBondContact OD1-CA 3.37Å; D469-R471 WeakPolarHBondContact OD1-CB 3.15Å; D469-R471 PolarHBondContact OD1-N 2.93Å; D469-R471 IonicContact OD2-CZ 2.83Å; D469-R471 IonicContact OD2-NE 3.11Å; D469-R471 PolarHBondContact OD2-NE 2.95Å; D469-R471 IonicContact OD2-NH2 3.49Å; D469-R471 PolarHBondContact OD2-NH2 2.95Å; R471-K474 PolarHBondContact O-N 2.86Å; R471-S475 WeakPolarHBondContact O-CB 3.42Å; R471-S475 PolarHBondContact O-N 2.84Å
472Q93.7Very high92.4Very high111 Ų11159.3 Ų59.352%0.51932%0.315SS..Hα-helixtrans-61.7-44.9174.9-70.7172.9-46.900110.8V468 D469 K474 S475 L476V468-Q472 HydrophobicContact CG1-CB 3.75Å; D469-Q472 PolarHBondContact O-N 3.48Å; D469-Q472 WeakPolarHBondContact OD1-CG 3.28Å; D469-Q472 PolarHBondContact OD1-N 2.82Å; Q472-K474 PolarHBondContact O-N 3.3Å; Q472-S475 PolarHBondContact O-N 3.33Å; Q472-L476 PolarHBondContact O-N 2.91Å
473I94.9Very high92.4Very high4 Ų460.6 Ų60.62%0.02132%0.321CS..Hα-helixtrans-59.6-48.2176.9-62.2174.9000110.8F462 V468 D469 S475 L476 G477 L506F462-I473 HydrophobicContact CD1-CG2 4.25Å; V468-I473 HydrophobicContact CG1-CD1 4.49Å; V468-I473 HydrophobicContact CG1-CG1 3.89Å; D469-I473 WeakPolarHBondContact O-CG1 3.44Å; D469-I473 PolarHBondContact O-N 2.87Å; I473-S475 PolarHBondContact O-N 3.28Å; I473-L476 PolarHBondContact O-N 2.92Å; I473-G477 PolarHBondContact O-N 3.36Å; I473-L506 HydrophobicContact CG2-CD1 3.71Å; I473-L506 HydrophobicContact CG2-CD2 3.74Å; I473-L506 HydrophobicContact CG2-CG 4.4Å
474K93.8Very high92.5Very high146 Ų14666.7 Ų66.764%0.63535%0.348SS*.Hα-helixtrans-63.4-40.6177.7-75172.8-175.9178.20112.2D470 R471 Q472 G477 A478D470-K474 WeakPolarHBondContact O-CB 3.37Å; D470-K474 VanDerWaalsContact O-CG 3.22Å; D470-K474 WeakPolarHBondContact O-CG 3.22Å; D470-K474 PolarHBondContact O-N 3.4Å; D470-K474 VanDerWaalsContact O-N 3.08Å; R471-K474 PolarHBondContact O-N 2.86Å; Q472-K474 PolarHBondContact O-N 3.3Å; K474-G477 PolarHBondContact O-N 3.48Å; K474-A478 WeakPolarHBondContact O-CB 2.91Å; K474-A478 PolarHBondContact O-N 3.26Å
475S95Very high92.7Very high63 Ų6366 Ų6644%0.44134%0.344SS..Hα-helixtrans-62.2-43.1177.5-170.20000111.6R471 Q472 I473 D479R471-S475 WeakPolarHBondContact O-CB 3.42Å; R471-S475 PolarHBondContact O-N 2.84Å; Q472-S475 PolarHBondContact O-N 3.33Å; I473-S475 PolarHBondContact O-N 3.28Å; S475-D479 WeakPolarHBondContact O-CB 3.06Å; S475-D479 PolarHBondContact O-N 2.79Å
476L96.1Very high93.1Very high4 Ų464.3 Ų64.32%0.02133%0.333CS..Hα-helixtrans-68.5-41.9176.8177.857.9000111.8I440 F441 T444 H461 F462 Q472 I473 A478 D479 L480I440-L476 HydrophobicContact CG1-CD1 3.69Å; I440-L476 HydrophobicContact CG1-CD2 3.84Å; I440-L476 HydrophobicContact CG1-CG 4.45Å; I440-L476 HydrophobicContact CG2-CD1 4.17Å; I440-L476 HydrophobicContact CG2-CD2 4.32Å; F441-L476 HydrophobicContact CE1-CB 4.46Å; F441-L476 HydrophobicContact CE1-CD1 4.39Å; F441-L476 HydrophobicContact CZ-CB 4.44Å; T444-L476 HydrophobicContact CG2-CD1 4.17Å; H461-L476 HydrophobicContact CB-CD2 3.69Å; F462-L476 HydrophobicContact CD1-CD2 4.46Å; F462-L476 HydrophobicContact CE1-CD2 3.73Å; F462-L476 HydrophobicContact CE1-CG 3.96Å; F462-L476 HydrophobicContact CE2-CD2 3.9Å; F462-L476 HydrophobicContact CZ-CD2 3.41Å; F462-L476 VanDerWaalsContact CZ-CD2 3.41Å; F462-L476 HydrophobicContact CZ-CG 3.83Å; Q472-L476 PolarHBondContact O-N 2.91Å; I473-L476 PolarHBondContact O-N 2.92Å; L476-A478 PolarHBondContact O-N 2.67Å; L476-D479 PolarHBondContact O-N 2.95Å; L476-L480 HydrophobicContact CD1-CD1 4.07Å; L476-L480 HydrophobicContact CD1-CG 4.2Å; L476-L480 HydrophobicContact CG-CD1 4.01Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 3.25Å
477G95.6Very high94.2Very high6 Ų657.3 Ų57.36%0.06230%0.295CS..Hα-helixtrans-58.4-45.5174.800000112.5I473 K474 L480 E481I473-G477 PolarHBondContact O-N 3.36Å; K474-G477 PolarHBondContact O-N 3.48Å; G477-L480 PolarHBondContact O-N 3.12Å; G477-E481 WeakPolarHBondContact O-CB 3.42Å; G477-E481 PolarHBondContact O-N 3.18Å
478A95.3Very high95Very high49 Ų4951.6 Ų51.641%0.40527%0.265SS..Hα-helixtrans-65.9-37.8176.700000112.6K474 L476 E481 S482K474-A478 WeakPolarHBondContact O-CB 2.91Å; K474-A478 PolarHBondContact O-N 3.26Å; L476-A478 PolarHBondContact O-N 2.67Å; A478-E481 PolarHBondContact O-N 3.05Å; A478-S482 WeakPolarHBondContact O-CB 3.37Å; A478-S482 PolarHBondContact O-N 3.12Å; A478-S482 PolarHBondContact O-OG 2.98Å
479D96.8Very high95.6Very high29 Ų2950.4 Ų50.416%0.15526%0.258CS..Hα-helixtrans-63.1-48.2176-176.474.7000111.4F441 T444 S475 L476 E481 S482 K483F441-D479 HydrophobicContact CD1-CB 4.06Å; F441-D479 HydrophobicContact CE1-CB 3.98Å; T444-D479 VanDerWaalsContact CB-OD2 3.31Å; T444-D479 WeakPolarHBondContact CB-OD2 3.36Å; T444-D479 PolarHBondContact OG1-OD2 3.21Å; S475-D479 WeakPolarHBondContact O-CB 3.06Å; S475-D479 PolarHBondContact O-N 2.79Å; L476-D479 PolarHBondContact O-N 2.95Å; D479-E481 PolarHBondContact O-N 2.88Å; D479-S482 PolarHBondContact O-N 3.28Å; D479-S482 PolarHBondContact O-OG 2.96Å; D479-K483 WeakPolarHBondContact O-CB 3.48Å; D479-K483 WeakPolarHBondContact O-CG 3.28Å; D479-K483 PolarHBondContact O-N 3.32Å; D479-K483 VanDerWaalsContact O-N 3.08Å; D479-K483 WeakPolarHBondContact OD1-CE 3.39Å; D479-K483 IonicContact OD1-NZ 3.54Å; D479-K483 PolarHBondContact OD1-NZ 3.36Å; D479-K483 IonicContact OD2-NZ 2.63Å; D479-K483 PolarHBondContact OD2-NZ 3.08Å
480L97.7Very high95.9Very high0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-60.2-44.1175.8-73.4163.9000112.3V164 T444 I455 F462 L476 G477 K483 Q484 L485 C487V164-L480 HydrophobicContact CB-CB 3.92Å; V164-L480 HydrophobicContact CG1-CB 4.36Å; V164-L480 HydrophobicContact CG2-CB 4.16Å; V164-L480 HydrophobicContact CG2-CD1 4.11Å; T444-L480 HydrophobicContact CG2-CD2 3.57Å; T444-L480 HydrophobicContact CG2-CG 4.14Å; I455-L480 HydrophobicContact CD1-CD2 3.93Å; I455-L480 HydrophobicContact CG1-CD2 3.96Å; F462-L480 HydrophobicContact CE1-CD1 4.3Å; F462-L480 HydrophobicContact CZ-CD1 3.75Å; L476-L480 HydrophobicContact CD1-CD1 4.07Å; L476-L480 HydrophobicContact CD1-CG 4.2Å; L476-L480 HydrophobicContact CG-CD1 4.01Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 3.25Å; G477-L480 PolarHBondContact O-N 3.12Å; L480-K483 CarbonylContact O-C 3.56Å; L480-K483 PolarHBondContact O-N 3.28Å; L480-Q484 PolarHBondContact O-N 2.98Å; L480-L485 HydrophobicContact CD2-CB 3.83Å; L480-L485 HydrophobicContact CD2-CD1 4.23Å; L480-L485 PolarHBondContact O-N 2.82Å; L480-C487 HydrophobicContact CD1-CB 3.92Å; L480-C487 HydrophobicContact CD2-CB 4.43Å
481E95.8Very high96Very high37 Ų3744.7 Ų44.717%0.17323%0.228CC..Hα-helixtrans-62.9-46176.5-179.2171.5-162.300111.4V164 N165 S166 S167 G477 A478 D479 K483 Q484V164-E481 WeakPolarHBondContact O-CA 3.24Å; V164-E481 WeakPolarHBondContact O-CB 3.43Å; N165-E481 PolarHBondContact OD1-OE1 3.39Å; S166-E481 VanDerWaalsContact CB-OE2 3.3Å; S166-E481 WeakPolarHBondContact CB-OE2 3.3Å; S166-E481 PolarHBondContact N-OE2 3.16Å; S166-E481 PolarHBondContact OG-OE2 3.46Å; S167-E481 PolarHBondContact OG-OE1 3.08Å; G477-E481 WeakPolarHBondContact O-CB 3.42Å; G477-E481 PolarHBondContact O-N 3.18Å; A478-E481 PolarHBondContact O-N 3.05Å; D479-E481 PolarHBondContact O-N 2.88Å; E481-K483 PolarHBondContact O-N 3.48Å; E481-Q484 PolarHBondContact O-N 2.91Å; E481-Q484 PolarHBondContact O-NE2 3.44Å
482S95.7Very high95.8Very high87 Ų8740.9 Ų40.961%0.60822%0.222SC*.Hα-helixtrans-61.7-31.9179.1770000112.8A478 D479A478-S482 WeakPolarHBondContact O-CB 3.37Å; A478-S482 PolarHBondContact O-N 3.12Å; A478-S482 PolarHBondContact O-OG 2.98Å; D479-S482 PolarHBondContact O-N 3.28Å; D479-S482 PolarHBondContact O-OG 2.96Å
483K97Very high95.6Very high28 Ų2836.8 Ų36.812%0.12221%0.21CC..THydrogen-bonded Turntrans-89.9-2.2178.8-71.4168.1174.3155.50113.5T444 S445 H448 D479 L480 E481 L485T444-K483 PolarHBondContact OG1-NZ 3.1Å; S445-K483 PolarHBondContact OG-NZ 3.34Å; H448-K483 HydrophobicContact CB-CB 4.02Å; H448-K483 HydrophobicContact CB-CD 3.99Å; H448-K483 HydrophobicContact CB-CG 3.92Å; H448-K483 PolarHBondContact ND1-O 3.03Å; D479-K483 WeakPolarHBondContact O-CB 3.48Å; D479-K483 WeakPolarHBondContact O-CG 3.28Å; D479-K483 PolarHBondContact O-N 3.32Å; D479-K483 VanDerWaalsContact O-N 3.08Å; D479-K483 WeakPolarHBondContact OD1-CE 3.39Å; D479-K483 IonicContact OD1-NZ 3.54Å; D479-K483 PolarHBondContact OD1-NZ 3.36Å; D479-K483 IonicContact OD2-NZ 2.63Å; D479-K483 PolarHBondContact OD2-NZ 3.08Å; L480-K483 CarbonylContact O-C 3.56Å; L480-K483 PolarHBondContact O-N 3.28Å; E481-K483 PolarHBondContact O-N 3.48Å; K483-L485 VanDerWaalsContact C-N 3.29Å; K483-L485 HydrophobicContact CB-CD1 3.81Å; K483-L485 HydrophobicContact CB-CG 3.83Å; K483-L485 HydrophobicContact CD-CD1 4.25Å; K483-L485 PolarHBondContact O-N 2.85Å
484Q96.6Very high95.6Very high130 Ų13036.6 Ų36.661%0.60721%0.209SC*.THydrogen-bonded Turntrans54.641.9-176.8-60.4-69.1-66.600112.9L480 E481L480-Q484 PolarHBondContact O-N 2.98Å; E481-Q484 PolarHBondContact O-N 2.91Å; E481-Q484 PolarHBondContact O-NE2 3.44Å
485L98.1Very high95.5Very high2 Ų229.8 Ų29.81%0.0118%0.18CC..  trans-99.7135.7-177.5-67.1175000111.7P163 V164 T444 A447 H448 L480 K483P163-L485 WeakPolarHBondContact CA-O 3.37Å; V164-L485 PolarHBondContact N-O 3.01Å; T444-L485 HydrophobicContact CG2-CD1 4.5Å; T444-L485 WeakPolarHBondContact O-CD1 3.38Å; A447-L485 HydrophobicContact CB-CD1 4.1Å; A447-L485 HydrophobicContact CB-CD2 4.16Å; H448-L485 HydrophobicContact CB-CD1 4.42Å; L480-L485 HydrophobicContact CD2-CB 3.83Å; L480-L485 HydrophobicContact CD2-CD1 4.23Å; L480-L485 PolarHBondContact O-N 2.82Å; K483-L485 VanDerWaalsContact C-N 3.29Å; K483-L485 HydrophobicContact CB-CD1 3.81Å; K483-L485 HydrophobicContact CB-CG 3.83Å; K483-L485 HydrophobicContact CD-CD1 4.25Å; K483-L485 PolarHBondContact O-N 2.85Å
486S97.8Very high95.4Very high1 Ų130.3 Ų30.31%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-71.4151.9162.7-660000111.1L161 P162 N453 G454 I455 T509L161-S486 WeakPolarHBondContact CB-OG 3.25Å; L161-S486 PolarHBondContact O-OG 3.2Å; P162-S486 VanDerWaalsContact C-OG 3.3Å; P162-S486 PolarHBondContact O-OG 2.93Å; N453-S486 WeakPolarHBondContact O-CB 3.12Å; N453-S486 PolarHBondContact O-N 3.2Å; N453-S486 VanDerWaalsContact O-N 3.08Å; G454-S486 CarbonylContact C-O 3.48Å; G454-S486 WeakPolarHBondContact CA-O 3.41Å; I455-S486 PolarHBondContact N-O 3.06Å; S486-T509 VanDerWaalsContact CA-OG1 3.24Å; S486-T509 WeakPolarHBondContact CA-OG1 3.24Å; S486-T509 VanDerWaalsContact CB-OG1 3.24Å; S486-T509 WeakPolarHBondContact CB-OG1 3.28Å
487C98.3Very high95.2Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-138.1119.9180-172.80000111.1V164 I455 L480 L508 T509 G510V164-C487 HydrophobicContact CG2-CB 3.5Å; I455-C487 HydrophobicContact CG1-CB 4.42Å; I455-C487 WeakPolarHBondContact O-CA 3.49Å; L480-C487 HydrophobicContact CD1-CB 3.92Å; L480-C487 HydrophobicContact CD2-CB 4.43Å; C487-L508 HydrophobicContact CB-CD2 4.36Å; C487-T509 PolarHBondContact N-OG1 3.05Å; C487-T509 WeakPolarHBondContact O-CA 3.48Å; C487-T509 WeakPolarHBondContact O-CB 3.24Å; C487-T509 PolarHBondContact O-N 3.4Å; C487-G510 PolarHBondContact O-N 2.88Å
488F98.5Very high95.1Very high0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-104.3147.8168.3-69.7-111.6000109.7L161 M177 V179 I396 L418 I455 V456 T457 T509 G510 I512L161-F488 HydrophobicContact CD1-CE2 4.15Å; L161-F488 HydrophobicContact CD2-CE2 4.3Å; L161-F488 HydrophobicContact CD2-CZ 4.12Å; M177-F488 HydrophobicContact CE-CE1 3.69Å; M177-F488 HydrophobicContact CE-CE2 4.41Å; M177-F488 HydrophobicContact CE-CZ 3.32Å; V179-F488 HydrophobicContact CG2-CD1 4.18Å; V179-F488 HydrophobicContact CG2-CE1 3.94Å; I396-F488 HydrophobicContact CD1-CE1 4.45Å; I396-F488 HydrophobicContact CD1-CE2 4.44Å; I396-F488 HydrophobicContact CD1-CZ 3.79Å; L418-F488 HydrophobicContact CD1-CD2 3.55Å; L418-F488 HydrophobicContact CD1-CE2 3.67Å; L418-F488 HydrophobicContact CD1-CG 4.35Å; I455-F488 PolarHBondContact O-N 3.07Å; V456-F488 CarbonylContact C-O 3.43Å; V456-F488 WeakPolarHBondContact CA-O 3.18Å; V456-F488 HydrophobicContact CB-CB 4.46Å; V456-F488 HydrophobicContact CG1-CB 4.19Å; V456-F488 HydrophobicContact CG2-CB 4.15Å; T457-F488 PolarHBondContact N-O 2.96Å; F488-T509 HydrophobicContact CD2-CG2 4.25Å; F488-T509 HydrophobicContact CE2-CG2 3.49Å; F488-T509 VanDerWaalsContact CE2-CG2 3.49Å; F488-T509 HydrophobicContact CZ-CG2 3.79Å; F488-G510 VanDerWaalsContact CA-O 3.3Å; F488-G510 WeakPolarHBondContact CA-O 3.28Å; F488-I512 HydrophobicContact CB-CD1 4.33Å
489V97.9Very high95Very high0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-126.5140.5-179.1-68.10000112.1T457 F462 V494 F499 L508 G510 V511 I512T457-V489 HydrophobicContact CG2-CG1 4.29Å; T457-V489 CarbonylContact O-C 3.57Å; T457-V489 WeakPolarHBondContact O-CA 3.46Å; F462-V489 HydrophobicContact CD2-CG1 3.5Å; F462-V489 HydrophobicContact CE2-CG1 3.68Å; V489-V494 HydrophobicContact CG2-CG1 4.35Å; V489-F499 HydrophobicContact CB-CE1 4.45Å; V489-F499 HydrophobicContact CB-CZ 4.43Å; V489-F499 HydrophobicContact CG2-CE1 3.59Å; V489-F499 HydrophobicContact CG2-CZ 3.88Å; V489-L508 HydrophobicContact CG1-CD1 3.89Å; V489-L508 HydrophobicContact CG2-CD1 4.02Å; V489-G510 PolarHBondContact N-O 2.86Å; V489-G510 VanDerWaalsContact N-O 3.07Å; V489-V511 HydrophobicContact CG2-CB 4.36Å; V489-V511 HydrophobicContact CG2-CG1 3.78Å; V489-I512 PolarHBondContact O-N 3.26Å
490Y96Very high94.9Very high34 Ų3431.2 Ų31.213%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-136.1173.617775.6-82.2000111.7F400 I420 R422 V456 T457 V458 G459 V494F400-Y490 WeakPolarHBondContact CZ-OH 3.42Å; I420-Y490 HydrophobicContact CG2-CE1 4.18Å; R422-Y490 WeakPolarHBondContact CG-OH 3.37Å; V456-Y490 HydrophobicContact CG1-CD1 3.79Å; V456-Y490 HydrophobicContact CG1-CE1 4.22Å; T457-Y490 WeakPolarHBondContact O-CD1 3.46Å; T457-Y490 PolarHBondContact O-N 2.71Å; V458-Y490 CarbonylContact C-O 3.58Å; V458-Y490 WeakPolarHBondContact CA-O 3.31Å; V458-Y490 HydrophobicContact CG1-CE1 4.2Å; V458-Y490 HydrophobicContact CG1-CE2 4.16Å; G459-Y490 PolarHBondContact N-O 3.15Å; Y490-V494 VanDerWaalsContact C-CG2 3.48Å; Y490-V494 WeakPolarHBondContact O-CG2 3.26Å
491G91.7Very high94.6Very high14 Ų1436.9 Ų36.914%0.14420%0.198CC..SBendtrans92.4-162.117100000114.4G493 V494G491-G493 PolarHBondContact O-N 3.39Å; G491-V494 VanDerWaalsContact O-CB 3.25Å; G491-V494 WeakPolarHBondContact O-CB 3.47Å; G491-V494 WeakPolarHBondContact O-CG2 3.17Å; G491-V494 PolarHBondContact O-N 3.5Å
492D89Confident94.4Very high113 Ų11337.3 Ų37.360%0.60420%0.2SC*.THydrogen-bonded Turntrans-56.4133.8-168.2-67.7-17.7000113.2S464 T465 V494S464-D492 VanDerWaalsContact CB-O 3.23Å; S464-D492 WeakPolarHBondContact CB-O 3.29Å; S464-D492 PolarHBondContact OG-O 3.14Å; T465-D492 HydrophobicContact CG2-CB 4.03Å; D492-V494 PolarHBondContact O-N 3.02Å
493G91Very high94.4Very high25 Ų2533.2 Ų33.226%0.25817%0.171SC..THydrogen-bonded Turntrans75.1-7.8-17900000115.3G491 S495 E496 F499G491-G493 PolarHBondContact O-N 3.39Å; G493-S495 VanDerWaalsContact C-N 3.33Å; G493-S495 PolarHBondContact O-N 2.89Å; G493-E496 WeakPolarHBondContact O-CB 3.15Å; G493-E496 WeakPolarHBondContact O-CG 3.37Å; G493-E496 PolarHBondContact O-N 2.81Å; G493-F499 VanDerWaalsContact O-CB 3.31Å; G493-F499 WeakPolarHBondContact O-CB 3.36Å
494V93.6Very high94.1Very high0 Ų033.5 Ų33.50%018%0.177CC..THydrogen-bonded Turntrans-69.3-33.6179.3174.60000112.1V489 Y490 G491 D492 E496 F499 V511 I512V489-V494 HydrophobicContact CG2-CG1 4.35Å; Y490-V494 VanDerWaalsContact C-CG2 3.48Å; Y490-V494 WeakPolarHBondContact O-CG2 3.26Å; G491-V494 VanDerWaalsContact O-CB 3.25Å; G491-V494 WeakPolarHBondContact O-CB 3.47Å; G491-V494 WeakPolarHBondContact O-CG2 3.17Å; G491-V494 PolarHBondContact O-N 3.5Å; D492-V494 PolarHBondContact O-N 3.02Å; V494-E496 PolarHBondContact O-N 3.28Å; V494-F499 HydrophobicContact CB-CD1 4.17Å; V494-F499 HydrophobicContact CB-CE1 4.16Å; V494-F499 HydrophobicContact CG1-CD1 4.14Å; V494-F499 HydrophobicContact CG1-CE1 3.99Å; V494-F499 HydrophobicContact CG2-CD1 4.15Å; V494-F499 HydrophobicContact CG2-CE1 3.75Å; V494-F499 HydrophobicContact CG2-CZ 4.31Å; V494-V511 HydrophobicContact CG1-CB 3.98Å; V494-V511 HydrophobicContact CG1-CG1 4.48Å; V494-I512 WeakPolarHBondContact CG1-O 3.21Å
495S92.4Very high93.8Very high3 Ų333.9 Ų33.92%0.02118%0.178CC..THydrogen-bonded Turntrans-73.611.9177-600000114G493 D514 F519G493-S495 VanDerWaalsContact C-N 3.33Å; G493-S495 PolarHBondContact O-N 2.89Å; S495-D514 PolarHBondContact OG-N 3.25Å; S495-F519 WeakPolarHBondContact O-CD2 3.43Å
496E92.1Very high93.4Very high74 Ų7435.6 Ų35.635%0.34619%0.187SC..SBendtrans-98.4136.7177.5-56.6-52.4140.100111.5G493 V494 S498 F499 Y500 R515G493-E496 WeakPolarHBondContact O-CB 3.15Å; G493-E496 WeakPolarHBondContact O-CG 3.37Å; G493-E496 PolarHBondContact O-N 2.81Å; V494-E496 PolarHBondContact O-N 3.28Å; E496-S498 PolarHBondContact O-N 2.73Å; E496-F499 HydrophobicContact CB-CB 4.49Å; E496-F499 PolarHBondContact O-N 3.31Å; E496-Y500 PolarHBondContact O-N 2.99Å; E496-R515 IonicContact OE1-CZ 3.76Å; E496-R515 IonicContact OE1-NH2 2.75Å; E496-R515 PolarHBondContact OE1-NH2 3.23Å
497M92.2Very high93.1Very high11 Ų1135.9 Ų35.95%0.05419%0.189CC..Hα-helixtrans-64.6-28.1179.7-166.1546000112.7F499 Y500 R501 F519 M522 Y523M497-F499 VanDerWaalsContact C-N 3.35Å; M497-Y500 PolarHBondContact O-N 3.36Å; M497-Y500 HydrophobicContact SD-CD1 3.9Å; M497-Y500 HydrophobicContact SD-CG 4.19Å; M497-R501 WeakPolarHBondContact O-CG 3.42Å; M497-R501 PolarHBondContact O-N 2.85Å; M497-R501 VanDerWaalsContact O-N 3.14Å; M497-F519 HydrophobicContact CE-CD1 4.32Å; M497-F519 HydrophobicContact CE-CD2 4.08Å; M497-F519 HydrophobicContact CE-CE1 3.91Å; M497-F519 HydrophobicContact CE-CE2 3.69Å; M497-F519 HydrophobicContact CE-CG 4.39Å; M497-F519 HydrophobicContact CE-CZ 3.58Å; M497-F519 HydrophobicContact SD-CE2 4.44Å; M497-F519 HydrophobicContact SD-CZ 4.22Å; M497-M522 HydrophobicContact CE-CB 4.2Å; M497-Y523 HydrophobicContact CE-CD2 4.17Å; M497-Y523 HydrophobicContact CE-CG 4.48Å; M497-Y523 HydrophobicContact SD-CD2 4.39Å
498S92.9Very high93Very high81 Ų8135.9 Ų35.957%0.56619%0.189SC*.Hα-helixtrans-61-43.9171.850.70000111.5E496 K502E496-S498 PolarHBondContact O-N 2.73Å; S498-K502 PolarHBondContact O-N 3.04Å
499F94.5Very high92.9Very high6 Ų635.9 Ų35.93%0.02619%0.189CC..Hα-helixtrans-70.5-39.6176.4-178.4-101.1000111.7F462 S464 V489 G493 V494 E496 M497 R501 K502 A503 V511F462-F499 HydrophobicContact CB-CE2 3.95Å; F462-F499 HydrophobicContact CB-CZ 4.12Å; S464-F499 VanDerWaalsContact CA-CD2 3.44Å; V489-F499 HydrophobicContact CB-CE1 4.45Å; V489-F499 HydrophobicContact CB-CZ 4.43Å; V489-F499 HydrophobicContact CG2-CE1 3.59Å; V489-F499 HydrophobicContact CG2-CZ 3.88Å; G493-F499 VanDerWaalsContact O-CB 3.31Å; G493-F499 WeakPolarHBondContact O-CB 3.36Å; V494-F499 HydrophobicContact CB-CD1 4.17Å; V494-F499 HydrophobicContact CB-CE1 4.16Å; V494-F499 HydrophobicContact CG1-CD1 4.14Å; V494-F499 HydrophobicContact CG1-CE1 3.99Å; V494-F499 HydrophobicContact CG2-CD1 4.15Å; V494-F499 HydrophobicContact CG2-CE1 3.75Å; V494-F499 HydrophobicContact CG2-CZ 4.31Å; E496-F499 HydrophobicContact CB-CB 4.49Å; E496-F499 PolarHBondContact O-N 3.31Å; M497-F499 VanDerWaalsContact C-N 3.35Å; F499-R501 VanDerWaalsContact C-N 3.28Å; F499-R501 PolarHBondContact O-N 2.82Å; F499-K502 CarbonylContact O-C 3.49Å; F499-K502 WeakPolarHBondContact O-CA 3.2Å; F499-K502 WeakPolarHBondContact O-CB 3.33Å; F499-K502 PolarHBondContact O-N 2.81Å; F499-A503 HydrophobicContact CE1-CB 4.26Å; F499-A503 WeakPolarHBondContact O-CB 3.38Å; F499-A503 PolarHBondContact O-N 2.92Å; F499-V511 HydrophobicContact CE1-CG1 4.34Å
500Y94.3Very high92.8Very high9 Ų935.9 Ų35.94%0.03519%0.189CC..Hα-helixtrans-54.1-44.7174.2-179.2-95.7000112.5P176 I178 E496 M497 K502 A503 S504 V511 F519 Y523P176-Y500 HydrophobicContact CG-CD2 3.82Å; P176-Y500 HydrophobicContact CG-CE2 3.53Å; P176-Y500 PolarHBondContact O-OH 3.14Å; I178-Y500 HydrophobicContact CD1-CE2 4.01Å; I178-Y500 HydrophobicContact CG1-CD2 4.33Å; I178-Y500 HydrophobicContact CG1-CE2 3.53Å; E496-Y500 PolarHBondContact O-N 2.99Å; M497-Y500 PolarHBondContact O-N 3.36Å; M497-Y500 HydrophobicContact SD-CD1 3.9Å; M497-Y500 HydrophobicContact SD-CG 4.19Å; Y500-K502 VanDerWaalsContact C-N 3.34Å; Y500-K502 PolarHBondContact O-N 2.78Å; Y500-A503 PolarHBondContact O-N 3.07Å; Y500-S504 WeakPolarHBondContact O-CB 3.37Å; Y500-S504 PolarHBondContact O-N 3.29Å; Y500-V511 HydrophobicContact CD2-CG2 3.71Å; Y500-V511 HydrophobicContact CE2-CG2 4.04Å; Y500-F519 HydrophobicContact CD2-CE1 4.34Å; Y500-F519 AromaticContact CD2-CZ 3.64Å; Y500-F519 HydrophobicContact CD2-CZ 3.64Å; Y500-F519 HydrophobicContact CE2-CZ 4.4Å; Y500-F519 AromaticContact CG-CZ 3.76Å; Y500-F519 HydrophobicContact CG-CZ 3.76Å; Y500-Y523 HydrophobicContact CE1-CD2 4.2Å; Y500-Y523 AromaticContact CE1-CE2 3.71Å; Y500-Y523 HydrophobicContact CE1-CE2 3.71Å; Y500-Y523 AromaticContact CZ-CE2 3.74Å
501R92Very high92.9Very high119 Ų11934.3 Ų34.345%0.44918%0.183SC..Hα-helixtrans-62.3-41.2175-67.3178.4-160.7140.9-4.7112.1M497 F499 S504 Q505M497-R501 WeakPolarHBondContact O-CG 3.42Å; M497-R501 PolarHBondContact O-N 2.85Å; M497-R501 VanDerWaalsContact O-N 3.14Å; F499-R501 VanDerWaalsContact C-N 3.28Å; F499-R501 PolarHBondContact O-N 2.82Å; R501-S504 WeakPolarHBondContact O-CB 3.43Å; R501-S504 PolarHBondContact O-N 3.49Å; R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.33Å; R501-Q505 PolarHBondContact O-N 3.25Å
502K92Very high93.1Very high47 Ų4733.9 Ų33.920%0.20418%0.177CC..Hα-helixtrans-63.7-45.5176.2-168.7179.9-173.1-1750111.4F462 S498 F499 Y500 S504 Q505 L506F462-K502 WeakPolarHBondContact O-CD 3.33Å; F462-K502 WeakPolarHBondContact O-CE 3.44Å; F462-K502 PolarHBondContact O-NZ 3.17Å; S498-K502 PolarHBondContact O-N 3.04Å; F499-K502 CarbonylContact O-C 3.49Å; F499-K502 WeakPolarHBondContact O-CA 3.2Å; F499-K502 WeakPolarHBondContact O-CB 3.33Å; F499-K502 PolarHBondContact O-N 2.81Å; Y500-K502 VanDerWaalsContact C-N 3.34Å; Y500-K502 PolarHBondContact O-N 2.78Å; K502-S504 VanDerWaalsContact C-N 3.29Å; K502-S504 PolarHBondContact O-N 3.27Å; K502-Q505 WeakPolarHBondContact O-CB 3.39Å; K502-Q505 PolarHBondContact O-N 2.95Å; K502-Q505 VanDerWaalsContact O-N 3.17Å; K502-L506 HydrophobicContact CG-CD1 4.11Å; K502-L506 VanDerWaalsContact O-CG 3.29Å; K502-L506 WeakPolarHBondContact O-CG 3.5Å; K502-L506 PolarHBondContact O-N 3.15Å
503A93.8Very high93.4Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-60.2-38.6175.400000112P176 F499 Y500 L506 N507 L508 V511P176-A503 HydrophobicContact CG-CB 3.99Å; F499-A503 HydrophobicContact CE1-CB 4.26Å; F499-A503 WeakPolarHBondContact O-CB 3.38Å; F499-A503 PolarHBondContact O-N 2.92Å; Y500-A503 PolarHBondContact O-N 3.07Å; A503-L506 CarbonylContact O-C 3.57Å; A503-L506 PolarHBondContact O-N 2.68Å; A503-N507 PolarHBondContact O-N 2.94Å; A503-N507 VanDerWaalsContact O-N 3.11Å; A503-L508 HydrophobicContact CB-CB 4.3Å; A503-L508 HydrophobicContact CB-CD1 3.82Å; A503-L508 HydrophobicContact CB-CG 4.25Å; A503-L508 PolarHBondContact O-N 3Å; A503-V511 HydrophobicContact CB-CG1 3.85Å
504S91.9Very high93.4Very high35 Ų3528.7 Ų28.725%0.24514%0.144CC..Hα-helixtrans-65.2-42.7172.9-171.60000112.3Q175 Y500 R501 K502 L506 N507Q175-S504 PolarHBondContact O-OG 2.82Å; Q175-S504 VanDerWaalsContact O-OG 3.07Å; Y500-S504 WeakPolarHBondContact O-CB 3.37Å; Y500-S504 PolarHBondContact O-N 3.29Å; R501-S504 WeakPolarHBondContact O-CB 3.43Å; R501-S504 PolarHBondContact O-N 3.49Å; K502-S504 VanDerWaalsContact C-N 3.29Å; K502-S504 PolarHBondContact O-N 3.27Å; S504-L506 VanDerWaalsContact C-N 3.26Å; S504-L506 PolarHBondContact O-N 2.83Å; S504-N507 PolarHBondContact O-N 2.89Å; S504-N507 VanDerWaalsContact O-N 3.08Å; S504-N507 PolarHBondContact O-OD1 3.36Å
505Q89.2Confident93.1Very high137 Ų13732.3 Ų32.364%0.6416%0.157SC*.Hα-helixtrans-64.1-30.9174.3-70.8168.8-1.900113.3R501 K502 N507R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.33Å; R501-Q505 PolarHBondContact O-N 3.25Å; K502-Q505 WeakPolarHBondContact O-CB 3.39Å; K502-Q505 PolarHBondContact O-N 2.95Å; K502-Q505 VanDerWaalsContact O-N 3.17Å; Q505-N507 VanDerWaalsContact C-N 3.29Å
506L90.4Very high93.1Very high38 Ų3832.1 Ų32.120%0.19916%0.156CC..THydrogen-bonded Turntrans-85.5-1.3176.4-66.4170000112.9F462 I473 K502 A503 S504 L508F462-L506 HydrophobicContact CB-CD1 4.13Å; F462-L506 HydrophobicContact CD1-CD1 3.97Å; F462-L506 HydrophobicContact CG-CD1 4.47Å; I473-L506 HydrophobicContact CG2-CD1 3.71Å; I473-L506 HydrophobicContact CG2-CD2 3.74Å; I473-L506 HydrophobicContact CG2-CG 4.4Å; K502-L506 HydrophobicContact CG-CD1 4.11Å; K502-L506 VanDerWaalsContact O-CG 3.29Å; K502-L506 WeakPolarHBondContact O-CG 3.5Å; K502-L506 PolarHBondContact O-N 3.15Å; A503-L506 CarbonylContact O-C 3.57Å; A503-L506 PolarHBondContact O-N 2.68Å; S504-L506 VanDerWaalsContact C-N 3.26Å; S504-L506 PolarHBondContact O-N 2.83Å; L506-L508 HydrophobicContact CB-CD2 4.22Å; L506-L508 HydrophobicContact CB-CG 4.06Å; L506-L508 PolarHBondContact O-N 3.23Å
507N92.2Very high93Very high8 Ų830.4 Ų30.44%0.04315%0.149CC..THydrogen-bonded Turntrans49.842-174.4-62.2-53.5000113N165 M168 A503 S504 Q505N165-N507 WeakPolarHBondContact O-CB 3.24Å; N165-N507 PolarHBondContact O-ND2 3.11Å; M168-N507 PolarHBondContact O-ND2 3.07Å; A503-N507 PolarHBondContact O-N 2.94Å; A503-N507 VanDerWaalsContact O-N 3.11Å; S504-N507 PolarHBondContact O-N 2.89Å; S504-N507 VanDerWaalsContact O-N 3.08Å; S504-N507 PolarHBondContact O-OD1 3.36Å; Q505-N507 VanDerWaalsContact C-N 3.29Å
508L95.1Very high92.9Very high0 Ų034.1 Ų34.10%017%0.166CC..  trans-63.3150.9171.2-58.8-173.1000110.1V164 P176 F462 C487 V489 A503 L506V164-L508 HydrophobicContact CG2-CD2 4.1Å; P176-L508 WeakPolarHBondContact CA-O 3.38Å; P176-L508 WeakPolarHBondContact CB-O 3.4Å; F462-L508 HydrophobicContact CB-CD1 4.35Å; F462-L508 HydrophobicContact CD1-CD1 4.25Å; F462-L508 HydrophobicContact CD1-CD2 4.06Å; F462-L508 HydrophobicContact CD2-CD1 4.08Å; F462-L508 HydrophobicContact CE1-CD2 3.74Å; F462-L508 HydrophobicContact CE2-CD1 4.44Å; F462-L508 HydrophobicContact CE2-CD2 4.39Å; F462-L508 HydrophobicContact CG-CD1 3.95Å; F462-L508 HydrophobicContact CZ-CD2 3.91Å; C487-L508 HydrophobicContact CB-CD2 4.36Å; V489-L508 HydrophobicContact CG1-CD1 3.89Å; V489-L508 HydrophobicContact CG2-CD1 4.02Å; A503-L508 HydrophobicContact CB-CB 4.3Å; A503-L508 HydrophobicContact CB-CD1 3.82Å; A503-L508 HydrophobicContact CB-CG 4.25Å; A503-L508 PolarHBondContact O-N 3Å; L506-L508 HydrophobicContact CB-CD2 4.22Å; L506-L508 HydrophobicContact CB-CG 4.06Å; L506-L508 PolarHBondContact O-N 3.23Å
509T96.1Very high92.9Very high0 Ų030.3 Ų30.30%014%0.139CC..SBendtrans-73.8-41.3-175.1-50.90000111.7L161 P162 M177 S486 C487 F488L161-T509 HydrophobicContact CB-CG2 4.41Å; L161-T509 HydrophobicContact CD2-CG2 4.27Å; P162-T509 HydrophobicContact CG-CG2 4.18Å; P162-T509 PolarHBondContact O-OG1 2.88Å; M177-T509 HydrophobicContact CE-CG2 3.98Å; M177-T509 PolarHBondContact N-O 3.01Å; S486-T509 VanDerWaalsContact CA-OG1 3.24Å; S486-T509 WeakPolarHBondContact CA-OG1 3.24Å; S486-T509 VanDerWaalsContact CB-OG1 3.24Å; S486-T509 WeakPolarHBondContact CB-OG1 3.28Å; C487-T509 PolarHBondContact N-OG1 3.05Å; C487-T509 WeakPolarHBondContact O-CA 3.48Å; C487-T509 WeakPolarHBondContact O-CB 3.24Å; C487-T509 PolarHBondContact O-N 3.4Å; F488-T509 HydrophobicContact CD2-CG2 4.25Å; F488-T509 HydrophobicContact CE2-CG2 3.49Å; F488-T509 VanDerWaalsContact CE2-CG2 3.49Å; F488-T509 HydrophobicContact CZ-CG2 3.79Å
510G96.7Very high92.8Very high0 Ų030.3 Ų30.30%014%0.14CC..EExtended strand (participates in β ladder)trans-158.2157.4179.800000114.2M177 C487 F488 V489M177-G510 CarbonylContact O-C 3.56Å; M177-G510 WeakPolarHBondContact O-CA 3.28Å; C487-G510 PolarHBondContact O-N 2.88Å; F488-G510 VanDerWaalsContact CA-O 3.3Å; F488-G510 WeakPolarHBondContact CA-O 3.28Å; V489-G510 PolarHBondContact N-O 2.86Å; V489-G510 VanDerWaalsContact N-O 3.07Å
511V97Very high92.6Very high0 Ų034 Ų340%016%0.157CC..EExtended strand (participates in β ladder)trans-119.1129.5170.9-61.90000109.2P176 M177 I178 V179 V489 V494 F499 Y500 A503 V513P176-V511 HydrophobicContact CB-CG1 4.02Å; P176-V511 HydrophobicContact CG-CG1 3.75Å; P176-V511 HydrophobicContact CG-CG2 4.34Å; M177-V511 PolarHBondContact O-N 3.35Å; I178-V511 HydrophobicContact CG1-CG2 4.46Å; V179-V511 WeakPolarHBondContact CB-O 3.02Å; V179-V511 PolarHBondContact N-O 3.5Å; V489-V511 HydrophobicContact CG2-CB 4.36Å; V489-V511 HydrophobicContact CG2-CG1 3.78Å; V494-V511 HydrophobicContact CG1-CB 3.98Å; V494-V511 HydrophobicContact CG1-CG1 4.48Å; F499-V511 HydrophobicContact CE1-CG1 4.34Å; Y500-V511 HydrophobicContact CD2-CG2 3.71Å; Y500-V511 HydrophobicContact CE2-CG2 4.04Å; A503-V511 HydrophobicContact CB-CG1 3.85Å; V511-V513 HydrophobicContact CG2-CG2 3.97Å
512I97.2Very high92.6Very high5 Ų531.8 Ų31.83%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-98.2115.2178.4-59.6168.4000107.4V179 H181 E217 V456 F488 V489 V494V179-I512 HydrophobicContact CB-CG1 4.04Å; V179-I512 HydrophobicContact CG1-CG1 4.22Å; V179-I512 CarbonylContact O-C 3.51Å; V179-I512 WeakPolarHBondContact O-CA 3.42Å; H181-I512 HydrophobicContact CB-CG2 3.56Å; E217-I512 HydrophobicContact CB-CG2 4.33Å; V456-I512 HydrophobicContact CG1-CD1 3.83Å; F488-I512 HydrophobicContact CB-CD1 4.33Å; V489-I512 PolarHBondContact O-N 3.26Å; V494-I512 WeakPolarHBondContact CG1-O 3.21Å
513V94.5Very high92.6Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-109.3121.7-165.2179.30000110.8I178 V179 H181 V511 L516 F519I178-V513 HydrophobicContact CG2-CG2 4.16Å; V179-V513 PolarHBondContact O-N 2.56Å; H181-V513 WeakPolarHBondContact CB-O 3.37Å; H181-V513 PolarHBondContact N-O 3.2Å; V511-V513 HydrophobicContact CG2-CG2 3.97Å; V513-L516 HydrophobicContact CB-CD1 4.09Å; V513-L516 HydrophobicContact CG1-CD1 4.23Å; V513-F519 HydrophobicContact CG1-CB 3.66Å; V513-F519 HydrophobicContact CG1-CD1 4.3Å; V513-F519 HydrophobicContact CG1-CD2 4.11Å; V513-F519 HydrophobicContact CG1-CG 3.76Å; V513-F519 HydrophobicContact CG2-CD1 4.38Å; V513-F519 HydrophobicContact CG2-CE1 4.44Å; V513-F519 HydrophobicContact CG2-CG 4.42Å
514D90.7Very high92.4Very high30 Ų3035.1 Ų35.116%0.1617%0.167CC..SBendtrans-77.6-30.3179.8-60.5-49.6000113.7H181 G185 V186 S495H181-D514 IonicContact CE1-OD1 2.96Å; H181-D514 IonicContact CG-OD1 2.86Å; H181-D514 IonicContact ND1-OD1 2.72Å; H181-D514 PolarHBondContact ND1-OD1 2.85Å; G185-D514 CarbonylContact C-O 3.51Å; G185-D514 WeakPolarHBondContact CA-O 3.09Å; V186-D514 PolarHBondContact N-O 2.69Å; S495-D514 PolarHBondContact OG-N 3.25Å
515R89.1Confident92.1Very high75 Ų7538.5 Ų38.528%0.28318%0.182SC..SBendtrans-115.858.7-176.5-58.2-168.5-54.8-78.3-2.6110E496 D517 E518 F519E496-R515 IonicContact OE1-CZ 3.76Å; E496-R515 IonicContact OE1-NH2 2.75Å; E496-R515 PolarHBondContact OE1-NH2 3.23Å; R515-D517 VanDerWaalsContact C-N 3.3Å; R515-D517 PolarHBondContact O-N 3.31Å; R515-E518 HydrophobicContact CB-CB 4.4Å; R515-E518 WeakPolarHBondContact CD-OE2 3.15Å; R515-E518 IonicContact NE-OE2 2.69Å; R515-E518 PolarHBondContact NE-OE2 3.37Å; R515-E518 PolarHBondContact O-N 3.21Å; R515-F519 WeakPolarHBondContact O-CB 3.35Å; R515-F519 PolarHBondContact O-N 3.49Å
516L92.2Very high91.8Very high0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-59.9-40.9-166.2-170.669.9000112.8I178 A184 A208 L211 V213 V513 F519 M520I178-L516 HydrophobicContact CG2-CD1 3.78Å; A184-L516 HydrophobicContact CB-CD2 4.46Å; A184-L516 WeakPolarHBondContact O-CB 3.29Å; A184-L516 PolarHBondContact O-N 2.9Å; A208-L516 HydrophobicContact CB-CD2 3.56Å; L211-L516 HydrophobicContact CD1-CD2 4.12Å; L211-L516 HydrophobicContact CD1-CG 4.12Å; V213-L516 HydrophobicContact CB-CD2 4.32Å; V213-L516 HydrophobicContact CG2-CD1 3.77Å; V213-L516 HydrophobicContact CG2-CD2 3.9Å; V213-L516 HydrophobicContact CG2-CG 4.14Å; V513-L516 HydrophobicContact CB-CD1 4.09Å; V513-L516 HydrophobicContact CG1-CD1 4.23Å; L516-F519 PolarHBondContact O-N 2.85Å; L516-M520 HydrophobicContact CD1-CG 3.97Å; L516-M520 HydrophobicContact CD1-SD 4.47Å; L516-M520 HydrophobicContact CG-CG 4.05Å; L516-M520 WeakPolarHBondContact O-CB 3.48Å; L516-M520 VanDerWaalsContact O-CG 3.25Å; L516-M520 WeakPolarHBondContact O-CG 3.39Å; L516-M520 PolarHBondContact O-N 2.99Å
517D89.9Confident91Very high37 Ų3737.3 Ų37.320%0.19817%0.172CC..Hα-helixtrans-57.1-56.1178.4-149-56.4000111.5W197 R207 L211 R515 F519 M520 H521W197-D517 PolarHBondContact NE1-OD2 3.28Å; R207-D517 IonicContact CZ-OD2 2.75Å; R207-D517 IonicContact NE-OD2 3.24Å; R207-D517 PolarHBondContact NE-OD2 3.47Å; R207-D517 VanDerWaalsContact NH2-CG 3.27Å; R207-D517 IonicContact NH2-OD1 3.18Å; R207-D517 PolarHBondContact NH2-OD1 3.25Å; R207-D517 IonicContact NH2-OD2 2.99Å; R207-D517 PolarHBondContact NH2-OD2 3.1Å; L211-D517 HydrophobicContact CD1-CB 4.27Å; R515-D517 VanDerWaalsContact C-N 3.3Å; R515-D517 PolarHBondContact O-N 3.31Å; D517-F519 VanDerWaalsContact C-N 3.34Å; D517-F519 PolarHBondContact O-N 2.65Å; D517-M520 PolarHBondContact O-N 2.78Å; D517-H521 PolarHBondContact O-N 3.15Å; D517-H521 PolarHBondContact O-ND1 3.16Å; D517-H521 IonicContact OD1-CE1 3.64Å; D517-H521 PolarHBondContact OD1-CE1 3.14Å; D517-H521 IonicContact OD1-ND1 3.06Å; D517-H521 PolarHBondContact OD1-ND1 3Å
518E89.6Confident89.5Confident90 Ų9043.1 Ų43.142%0.42120%0.197SC..Hα-helixtrans-59.5-44.3177.3-63.8165.3-146.200111.5K187 R515 H521 M522K187-E518 IonicContact NZ-OE1 3.84Å; K187-E518 PolarHBondContact NZ-OE1 2.95Å; R515-E518 HydrophobicContact CB-CB 4.4Å; R515-E518 WeakPolarHBondContact CD-OE2 3.15Å; R515-E518 IonicContact NE-OE2 2.69Å; R515-E518 PolarHBondContact NE-OE2 3.37Å; R515-E518 PolarHBondContact O-N 3.21Å; E518-H521 PolarHBondContact O-N 2.87Å; E518-M522 WeakPolarHBondContact O-CG 3.42Å; E518-M522 PolarHBondContact O-N 3.2Å
519F92.1Very high87.6Confident0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-62.3-46-179.1-175.5-88.2000112.3I178 S495 M497 Y500 V513 R515 L516 D517 M522 Y523I178-F519 HydrophobicContact CD1-CE1 3.82Å; I178-F519 HydrophobicContact CG1-CE1 4.03Å; I178-F519 HydrophobicContact CG2-CD1 4.33Å; I178-F519 HydrophobicContact CG2-CE1 4.16Å; S495-F519 WeakPolarHBondContact O-CD2 3.43Å; M497-F519 HydrophobicContact CE-CD1 4.32Å; M497-F519 HydrophobicContact CE-CD2 4.08Å; M497-F519 HydrophobicContact CE-CE1 3.91Å; M497-F519 HydrophobicContact CE-CE2 3.69Å; M497-F519 HydrophobicContact CE-CG 4.39Å; M497-F519 HydrophobicContact CE-CZ 3.58Å; M497-F519 HydrophobicContact SD-CE2 4.44Å; M497-F519 HydrophobicContact SD-CZ 4.22Å; Y500-F519 HydrophobicContact CD2-CE1 4.34Å; Y500-F519 AromaticContact CD2-CZ 3.64Å; Y500-F519 HydrophobicContact CD2-CZ 3.64Å; Y500-F519 HydrophobicContact CE2-CZ 4.4Å; Y500-F519 AromaticContact CG-CZ 3.76Å; Y500-F519 HydrophobicContact CG-CZ 3.76Å; V513-F519 HydrophobicContact CG1-CB 3.66Å; V513-F519 HydrophobicContact CG1-CD1 4.3Å; V513-F519 HydrophobicContact CG1-CD2 4.11Å; V513-F519 HydrophobicContact CG1-CG 3.76Å; V513-F519 HydrophobicContact CG2-CD1 4.38Å; V513-F519 HydrophobicContact CG2-CE1 4.44Å; V513-F519 HydrophobicContact CG2-CG 4.42Å; R515-F519 WeakPolarHBondContact O-CB 3.35Å; R515-F519 PolarHBondContact O-N 3.49Å; L516-F519 PolarHBondContact O-N 2.85Å; D517-F519 VanDerWaalsContact C-N 3.34Å; D517-F519 PolarHBondContact O-N 2.65Å; F519-M522 PolarHBondContact O-N 3.14Å; F519-Y523 HydrophobicContact CE1-CD2 4.43Å; F519-Y523 WeakPolarHBondContact O-CB 3.48Å; F519-Y523 PolarHBondContact O-N 2.75Å
520M93Very high85.5Confident7 Ų751 Ų513%0.03424%0.242CC..Hα-helixtrans-69.5-33.9-177.6-71.1-56-67.700112.3I178 L211 V213 L516 D517 Y523 H524I178-M520 HydrophobicContact CD1-SD 3.89Å; I178-M520 HydrophobicContact CG2-SD 4Å; L211-M520 HydrophobicContact CB-CB 4.3Å; L211-M520 HydrophobicContact CB-CG 4.18Å; L211-M520 HydrophobicContact CD2-CB 4.3Å; L211-M520 VanDerWaalsContact O-CE 3.28Å; L211-M520 WeakPolarHBondContact O-CE 3.37Å; V213-M520 HydrophobicContact CG2-CE 3.9Å; V213-M520 HydrophobicContact CG2-CG 3.92Å; V213-M520 HydrophobicContact CG2-SD 3.72Å; L516-M520 HydrophobicContact CD1-CG 3.97Å; L516-M520 HydrophobicContact CD1-SD 4.47Å; L516-M520 HydrophobicContact CG-CG 4.05Å; L516-M520 WeakPolarHBondContact O-CB 3.48Å; L516-M520 VanDerWaalsContact O-CG 3.25Å; L516-M520 WeakPolarHBondContact O-CG 3.39Å; L516-M520 PolarHBondContact O-N 2.99Å; D517-M520 PolarHBondContact O-N 2.78Å; M520-Y523 HydrophobicContact CE-CD1 4.19Å; M520-Y523 PolarHBondContact O-N 2.87Å; M520-H524 WeakPolarHBondContact O-CB 3.21Å; M520-H524 PolarHBondContact O-CD2 2.9Å; M520-H524 PolarHBondContact O-N 2.68Å
521H90.8Very high83Confident86 Ų8656 Ų5640%0.39827%0.273SS..Hα-helixtrans-58.9-51170-75.292.7000111.1D517 E518 Y523 H524 D525D517-H521 PolarHBondContact O-N 3.15Å; D517-H521 PolarHBondContact O-ND1 3.16Å; D517-H521 IonicContact OD1-CE1 3.64Å; D517-H521 PolarHBondContact OD1-CE1 3.14Å; D517-H521 IonicContact OD1-ND1 3.06Å; D517-H521 PolarHBondContact OD1-ND1 3Å; E518-H521 PolarHBondContact O-N 2.87Å; H521-Y523 VanDerWaalsContact C-N 3.31Å; H521-Y523 PolarHBondContact O-N 3.26Å; H521-H524 PolarHBondContact O-N 3.46Å; H521-D525 PolarHBondContact O-N 2.97Å; H521-D525 VanDerWaalsContact O-N 3.1Å
522M91.3Very high80.2Confident72 Ų7263 Ų6336%0.35531%0.306SS..Hα-helixtrans-62-38.3176.9-68-172.5-72.200112.8M497 E518 F519 Q526M497-M522 HydrophobicContact CE-CB 4.2Å; E518-M522 WeakPolarHBondContact O-CG 3.42Å; E518-M522 PolarHBondContact O-N 3.2Å; F519-M522 PolarHBondContact O-N 3.14Å; M522-Q526 WeakPolarHBondContact O-CG 2.92Å; M522-Q526 PolarHBondContact O-N 3.04Å
523Y91.8Very high77.6Confident48 Ų4869.7 Ų69.719%0.18834%0.341CS..Hα-helixtrans-61.5-52177.5-178.1-96.1000110.5I178 M497 Y500 F519 M520 H521 D525 Q526 Y527I178-Y523 HydrophobicContact CD1-CD1 4.39Å; I178-Y523 HydrophobicContact CD1-CD2 3.81Å; I178-Y523 HydrophobicContact CD1-CE1 4.32Å; I178-Y523 HydrophobicContact CD1-CE2 3.71Å; I178-Y523 HydrophobicContact CD1-CG 4.15Å; M497-Y523 HydrophobicContact CE-CD2 4.17Å; M497-Y523 HydrophobicContact CE-CG 4.48Å; M497-Y523 HydrophobicContact SD-CD2 4.39Å; Y500-Y523 HydrophobicContact CE1-CD2 4.2Å; Y500-Y523 AromaticContact CE1-CE2 3.71Å; Y500-Y523 HydrophobicContact CE1-CE2 3.71Å; Y500-Y523 AromaticContact CZ-CE2 3.74Å; F519-Y523 HydrophobicContact CE1-CD2 4.43Å; F519-Y523 WeakPolarHBondContact O-CB 3.48Å; F519-Y523 PolarHBondContact O-N 2.75Å; M520-Y523 HydrophobicContact CE-CD1 4.19Å; M520-Y523 PolarHBondContact O-N 2.87Å; H521-Y523 VanDerWaalsContact C-N 3.31Å; H521-Y523 PolarHBondContact O-N 3.26Å; Y523-D525 VanDerWaalsContact C-N 3.32Å; Y523-D525 PolarHBondContact O-N 3Å; Y523-Q526 PolarHBondContact O-N 3.36Å; Y523-Y527 HydrophobicContact CD1-CD2 4.25Å; Y523-Y527 AromaticContact CD2-CD2 3.78Å; Y523-Y527 HydrophobicContact CD2-CD2 3.78Å; Y523-Y527 AromaticContact CD2-CE2 3.61Å; Y523-Y527 HydrophobicContact CD2-CE2 3.61Å; Y523-Y527 HydrophobicContact CE1-CD2 4.03Å; Y523-Y527 HydrophobicContact CE1-CE2 4.49Å; Y523-Y527 AromaticContact CE2-CD2 3.55Å; Y523-Y527 HydrophobicContact CE2-CD2 3.55Å; Y523-Y527 AromaticContact CE2-CE2 3.2Å; Y523-Y527 HydrophobicContact CE2-CE2 3.2Å; Y523-Y527 HydrophobicContact CG-CD2 4.12Å; Y523-Y527 HydrophobicContact CG-CE2 4.4Å; Y523-Y527 AromaticContact CZ-CD2 3.68Å; Y523-Y527 AromaticContact CZ-CE2 3.71Å; Y523-Y527 WeakPolarHBondContact O-CD2 2.96Å; Y523-Y527 PolarHBondContact O-N 2.63Å; Y523-Y527 VanDerWaalsContact O-N 3.07Å
524H88.8Confident75Confident69 Ų6973.4 Ų73.432%0.31937%0.371SS..Hα-helixtrans-62.5-37.6-179.9-71.3-47.4000112.9M520 H521 Q526 Y527 K528M520-H524 WeakPolarHBondContact O-CB 3.21Å; M520-H524 PolarHBondContact O-CD2 2.9Å; M520-H524 PolarHBondContact O-N 2.68Å; H521-H524 PolarHBondContact O-N 3.46Å; H524-Q526 VanDerWaalsContact C-N 3.34Å; H524-Q526 PolarHBondContact O-N 2.81Å; H524-Y527 PolarHBondContact O-N 3Å; H524-K528 VanDerWaalsContact O-CB 3.26Å; H524-K528 WeakPolarHBondContact O-CB 3.02Å; H524-K528 WeakPolarHBondContact O-CG 3.41Å; H524-K528 PolarHBondContact O-N 3.31Å
525D87.2Confident72.2Confident106 Ų10675.6 Ų75.657%0.56739%0.389SS*.Hα-helixtrans-63.6-39.3178.1-72.7-15.3000112.4H521 Y523 T529H521-D525 PolarHBondContact O-N 2.97Å; H521-D525 VanDerWaalsContact O-N 3.1Å; Y523-D525 VanDerWaalsContact C-N 3.32Å; Y523-D525 PolarHBondContact O-N 3Å; D525-T529 PolarHBondContact O-N 3.24Å; D525-T529 PolarHBondContact O-OG1 3.39Å
526Q81.5Confident69.7Low56 Ų5677.2 Ų77.226%0.26241%0.409SS..Hα-helixtrans-73.5-37.3178.2-71.4-177.317.100113.5M522 Y523 H524 T529 N530M522-Q526 WeakPolarHBondContact O-CG 2.92Å; M522-Q526 PolarHBondContact O-N 3.04Å; Y523-Q526 PolarHBondContact O-N 3.36Å; H524-Q526 VanDerWaalsContact C-N 3.34Å; H524-Q526 PolarHBondContact O-N 2.81Å; Q526-T529 WeakPolarHBondContact CA-OG1 3.38Å; Q526-T529 PolarHBondContact O-OG1 2.81Å; Q526-N530 PolarHBondContact O-N 2.64Å
527Y74.6Confident67Low94 Ų9485.7 Ų85.737%0.36945%0.454SS..Hα-helixtrans-84.8-23.8-178.4-76.3-85.2000113.2Y523 H524 T531Y523-Y527 HydrophobicContact CD1-CD2 4.25Å; Y523-Y527 AromaticContact CD2-CD2 3.78Å; Y523-Y527 HydrophobicContact CD2-CD2 3.78Å; Y523-Y527 AromaticContact CD2-CE2 3.61Å; Y523-Y527 HydrophobicContact CD2-CE2 3.61Å; Y523-Y527 HydrophobicContact CE1-CD2 4.03Å; Y523-Y527 HydrophobicContact CE1-CE2 4.49Å; Y523-Y527 AromaticContact CE2-CD2 3.55Å; Y523-Y527 HydrophobicContact CE2-CD2 3.55Å; Y523-Y527 AromaticContact CE2-CE2 3.2Å; Y523-Y527 HydrophobicContact CE2-CE2 3.2Å; Y523-Y527 HydrophobicContact CG-CD2 4.12Å; Y523-Y527 HydrophobicContact CG-CE2 4.4Å; Y523-Y527 AromaticContact CZ-CD2 3.68Å; Y523-Y527 AromaticContact CZ-CE2 3.71Å; Y523-Y527 WeakPolarHBondContact O-CD2 2.96Å; Y523-Y527 PolarHBondContact O-N 2.63Å; Y523-Y527 VanDerWaalsContact O-N 3.07Å; H524-Y527 PolarHBondContact O-N 3Å; Y527-T531 PolarHBondContact O-N 3.27Å; Y527-T531 PolarHBondContact O-OG1 3.27Å
528K60.8Low64.4Low130 Ų13092.8 Ų92.857%0.56551%0.507SS*.Hα-helixtrans-65.6-38.6166.8-77.9175.2-178.4174.50112.2H524 T531 Q532H524-K528 VanDerWaalsContact O-CB 3.26Å; H524-K528 WeakPolarHBondContact O-CB 3.02Å; H524-K528 WeakPolarHBondContact O-CG 3.41Å; H524-K528 PolarHBondContact O-N 3.31Å; K528-T531 PolarHBondContact O-N 3.27Å; K528-Q532 PolarHBondContact O-N 2.86Å
529T54.4Low63.1Low70 Ų7092.9 Ų92.943%0.42951%0.511SS..Hα-helixtrans-67.7-35.9178.9300000112.2D525 Q526 T531 Q532 L533D525-T529 PolarHBondContact O-N 3.24Å; D525-T529 PolarHBondContact O-OG1 3.39Å; Q526-T529 WeakPolarHBondContact CA-OG1 3.38Å; Q526-T529 PolarHBondContact O-OG1 2.81Å; T529-T531 VanDerWaalsContact C-N 3.34Å; T529-T531 PolarHBondContact O-N 3.41Å; T529-Q532 PolarHBondContact O-N 3.34Å; T529-L533 WeakPolarHBondContact O-CG 3.1Å; T529-L533 PolarHBondContact O-N 3.36Å
530N51.6Low61.6Low96 Ų9697.8 Ų97.851%0.51354%0.538SS..Hα-helixtrans-67-30.8174.8-76.3-19.4000113.5Q526 A534Q526-N530 PolarHBondContact O-N 2.64Å; N530-A534 WeakPolarHBondContact O-CB 3.22Å; N530-A534 PolarHBondContact O-N 3.15Å
531T44.3Very low59.9Low104 Ų104102.8 Ų102.864%0.63857%0.566SS**Hα-helixtrans-76-30175.9-9.20000112.6Y527 K528 T529Y527-T531 PolarHBondContact O-N 3.27Å; Y527-T531 PolarHBondContact O-OG1 3.27Å; K528-T531 PolarHBondContact O-N 3.27Å; T529-T531 VanDerWaalsContact C-N 3.34Å; T529-T531 PolarHBondContact O-N 3.41Å
532Q37.9Very low58Low148 Ų148103.8 Ų103.869%0.69258%0.576SS**Hα-helixtrans-80.4-25.7176.7-70.9-177.3-2.800113.6K528 T529 S535K528-Q532 PolarHBondContact O-N 2.86Å; T529-Q532 PolarHBondContact O-N 3.34Å; Q532-S535 PolarHBondContact O-OG 3.33Å
533L43.3Very low56Low146 Ų146105.8 Ų105.876%0.76459%0.59SS**Hα-helixtrans-84.1-18.6174.4-74.3162.7000113.1T529T529-L533 WeakPolarHBondContact O-CG 3.1Å; T529-L533 PolarHBondContact O-N 3.36Å
534A40.8Very low53.6Low77 Ų77109.7 Ų109.764%0.63662%0.616SS**SBendtrans-871177.400000114.2N530 P536N530-A534 WeakPolarHBondContact O-CB 3.22Å; N530-A534 PolarHBondContact O-N 3.15Å; A534-P536 WeakPolarHBondContact O-CD 3.46Å
535S31.8Very low51.1Low77 Ų77112.6 Ų112.654%0.53864%0.638SS.*  trans-89.8102.6166.344.20000109.6Q532Q532-S535 PolarHBondContact O-OG 3.33Å
536P35.7Very low48.3Very low108 Ų108113.1 Ų113.170%0.70164%0.643SS**  trans-69.4136.5168.729-26.7000107.9A534 S538A534-P536 WeakPolarHBondContact O-CD 3.46Å; P536-S538 PolarHBondContact O-N 3.05Å
537N35.4Very low45.5Very low178 Ų178117.8 Ų117.895%0.95268%0.675SS**  trans-45.2111.7165.9-71-36.9000109.6
538S35.5Very low42.9Very low186 Ų186120 Ų120100%1.30170%0.703SS**  trans-137.80164.266.80000109.6P536P536-S538 PolarHBondContact O-N 3.05Å

Retrieved 538 of 538 residues in 498.9 ms (Link to these results)

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