A0A077Z5W6_TRITR Loading...

Ras-related protein Rab-14

AlphaFold DB , UniProt , Accession A0A077Z5W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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
1M34.3Very low67.8Low238 Ų23898.5 Ų98.5100%1.17252%0.516SS*.  01090-65.3176.6-158.700107.5V3M1-V3 PolarHBondContact O-N 3.42Å; M1-V3 VanDerWaalsContact O-N 3.11Å
2S40.6Very low70.2Confident107 Ų10790.3 Ų90.375%0.74847%0.473SS*.  trans-69.2108.9174.755.60000107.7S4S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.09Å
3V44.6Very low72.2Confident121 Ų12186.2 Ų86.273%0.73345%0.449SS*.  trans-46.9120.9167.3-179.10000106.4M1 Q5M1-V3 PolarHBondContact O-N 3.42Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-Q5 VanDerWaalsContact C-N 3.31Å; V3-Q5 PolarHBondContact O-N 3.14Å
4S48.1Very low74.1Confident92 Ų9280.1 Ų80.164%0.64342%0.417SS*.  trans-50.8101.3172.548.20000106.9S2 Y6S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.09Å; S4-Y6 PolarHBondContact O-N 2.94Å
5Q55.5Low75.5Confident182 Ų18274.7 Ų74.785%0.8539%0.389SS*.  trans-55.2112.2171.7-83.6-176.5-5.200104.6V3 N7V3-Q5 VanDerWaalsContact C-N 3.31Å; V3-Q5 PolarHBondContact O-N 3.14Å; Q5-N7 PolarHBondContact O-N 2.98Å
6Y65.9Low76.8Confident179 Ų17970.1 Ų70.170%0.70237%0.365SS*.  trans-50110.2176.6-73.9-88.4000107.4S4 Y8 I52S4-Y6 PolarHBondContact O-N 2.94Å; Y6-Y8 WeakPolarHBondContact O-CD1 3.32Å; Y6-Y8 VanDerWaalsContact O-CE1 3.24Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.46Å; Y6-Y8 PolarHBondContact O-N 3.03Å; Y6-I52 VanDerWaalsContact CB-CD1 3.5Å; Y6-I52 HydrophobicContact CD1-CD1 3.79Å; Y6-I52 HydrophobicContact CG-CD1 3.92Å
7N85.8Confident77.9Confident95 Ų9566 Ų6651%0.50834%0.344SS..  trans-82.5115.6-173-163.914.7000108.1Q5 K59 H195Q5-N7 PolarHBondContact O-N 2.98Å; N7-K59 WeakPolarHBondContact O-CB 3.4Å; N7-K59 WeakPolarHBondContact O-CD 3.39Å; N7-H195 PolarHBondContact ND2-CE1 3.25Å; N7-H195 PolarHBondContact OD1-CE1 3.43Å; N7-H195 PolarHBondContact OD1-ND1 2.88Å; N7-H195 VanDerWaalsContact OD1-ND1 3.15Å
8Y90.2Very high78.9Confident32 Ų3262.3 Ų62.313%0.12532%0.324CS..  trans-145144.2175.454.3-93.3000109.7Y6 Y10 I11 I52 K59 K61 K193Y6-Y8 WeakPolarHBondContact O-CD1 3.32Å; Y6-Y8 VanDerWaalsContact O-CE1 3.24Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.46Å; Y6-Y8 PolarHBondContact O-N 3.03Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.28Å; Y8-I11 HydrophobicContact CD2-CG1 4Å; Y8-I11 HydrophobicContact CE2-CD1 3.77Å; Y8-I11 HydrophobicContact CE2-CG1 3.41Å; Y8-I11 VanDerWaalsContact CE2-CG1 3.41Å; Y8-I52 HydrophobicContact CD1-CD1 3.71Å; Y8-I52 HydrophobicContact CD1-CG1 4.36Å; Y8-I52 HydrophobicContact CE1-CD1 4.28Å; Y8-K59 CarbonylContact C-O 3.6Å; Y8-K59 WeakPolarHBondContact CA-O 3.36Å; Y8-K59 WeakPolarHBondContact CB-O 3.26Å; Y8-K61 HydrophobicContact CD1-CB 4.11Å; Y8-K61 HydrophobicContact CD1-CD 4.38Å; Y8-K61 HydrophobicContact CD2-CB 3.79Å; Y8-K61 HydrophobicContact CE1-CB 4.31Å; Y8-K61 HydrophobicContact CE1-CD 3.79Å; Y8-K61 HydrophobicContact CE2-CB 3.99Å; Y8-K61 HydrophobicContact CE2-CD 4.1Å; Y8-K61 HydrophobicContact CG-CB 3.86Å; Y8-K193 HydrophobicContact CD2-CD 4.34Å; Y8-K193 HydrophobicContact CE2-CD 3.64Å; Y8-K193 PolarHBondContact OH-NZ 2.83Å
9S90.9Very high79.7Confident11 Ų1160 Ų608%0.07731%0.312CS..SBendtrans-87.5-29.7-177.5-46.30000111.6Q58 K59 H192 K193S9-Q58 VanDerWaalsContact CB-OE1 3.32Å; S9-Q58 PolarHBondContact OG-OE1 2.81Å; S9-K59 PolarHBondContact N-O 3.04Å; S9-H192 PolarHBondContact O-CD2 2.84Å; S9-H192 VanDerWaalsContact O-CD2 3.31Å; S9-K193 PolarHBondContact O-N 2.97Å
10Y94.4Very high80.3Confident20 Ų2060.3 Ų60.38%0.07831%0.313CS..EExtended strand (participates in β ladder)trans-130.8150.2-175.8-63.3-82.1000112.8Y8 F12 Q58 I60 K61 I176 L183 V190 Q191 H192Y8-Y10 WeakPolarHBondContact CD2-O 3.28Å; Y10-F12 HydrophobicContact CD1-CE1 4.11Å; Y10-F12 AromaticContact CG-CE1 3.98Å; Y10-F12 HydrophobicContact CG-CE1 3.98Å; Y10-F12 HydrophobicContact CG-CZ 4.44Å; Y10-Q58 HydrophobicContact CE2-CG 4.46Å; Y10-I60 HydrophobicContact CD2-CG1 4.47Å; Y10-K61 PolarHBondContact O-N 3Å; Y10-I176 HydrophobicContact CD1-CD1 4.33Å; Y10-I176 HydrophobicContact CE1-CD1 4.15Å; Y10-L183 HydrophobicContact CE1-CD1 4.28Å; Y10-V190 HydrophobicContact CD1-CG1 3.91Å; Y10-Q191 CarbonylContact C-O 3.49Å; Y10-Q191 VanDerWaalsContact CA-O 3.28Å; Y10-Q191 WeakPolarHBondContact CA-O 3.44Å; Y10-H192 HydrophobicContact CD1-CB 4.09Å; Y10-H192 AromaticContact CD1-CD2 3.91Å; Y10-H192 HydrophobicContact CE1-CB 3.89Å; Y10-H192 AromaticContact CE1-CD2 3.39Å; Y10-H192 WeakPolarHBondContact CE1-CD2 3.48Å; Y10-H192 AromaticContact CE1-CG 3.89Å; Y10-H192 AromaticContact CZ-CD2 3.6Å
11I95.3Very high80.9Confident7 Ų758.8 Ų58.84%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-115.6124.3161.6-58.1168.8000107.7Y8 K61 Q63 V190 Q191Y8-I11 HydrophobicContact CD2-CG1 4Å; Y8-I11 HydrophobicContact CE2-CD1 3.77Å; Y8-I11 HydrophobicContact CE2-CG1 3.41Å; Y8-I11 VanDerWaalsContact CE2-CG1 3.41Å; I11-K61 CarbonylContact C-O 3.58Å; I11-K61 VanDerWaalsContact CA-O 3.25Å; I11-K61 WeakPolarHBondContact CA-O 3.22Å; I11-K61 HydrophobicContact CG1-CB 4.21Å; I11-Q63 HydrophobicContact CG2-CB 4.42Å; I11-Q63 HydrophobicContact CG2-CG 3.73Å; I11-V190 CarbonylContact O-C 3.48Å; I11-V190 WeakPolarHBondContact O-CA 3.11Å; I11-Q191 HydrophobicContact CB-CB 4.09Å; I11-Q191 HydrophobicContact CB-CG 4.48Å; I11-Q191 HydrophobicContact CD1-CB 4.43Å; I11-Q191 PolarHBondContact N-O 2.71Å; I11-Q191 PolarHBondContact O-N 2.72Å
12F97.2Very high83.8Confident0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-110.7127.8171.4-62.3-11.2000109.8Y10 Y14 I60 K61 L62 Q63 A169 I172 H173 I176 V190Y10-F12 HydrophobicContact CD1-CE1 4.11Å; Y10-F12 AromaticContact CG-CE1 3.98Å; Y10-F12 HydrophobicContact CG-CE1 3.98Å; Y10-F12 HydrophobicContact CG-CZ 4.44Å; F12-Y14 HydrophobicContact CB-CD1 4.35Å; F12-Y14 HydrophobicContact CB-CE1 3.88Å; F12-Y14 HydrophobicContact CD2-CE1 4.48Å; F12-I60 HydrophobicContact CB-CG2 4.33Å; F12-I60 HydrophobicContact CD1-CG2 4.13Å; F12-I60 HydrophobicContact CD2-CD1 4.42Å; F12-I60 HydrophobicContact CD2-CG2 3.58Å; F12-I60 HydrophobicContact CE1-CG2 4.32Å; F12-I60 HydrophobicContact CE2-CD1 3.66Å; F12-I60 HydrophobicContact CE2-CG2 3.82Å; F12-I60 HydrophobicContact CG-CG2 3.74Å; F12-I60 HydrophobicContact CZ-CD1 3.88Å; F12-I60 HydrophobicContact CZ-CG2 4.18Å; F12-K61 PolarHBondContact N-O 3.39Å; F12-L62 HydrophobicContact CB-CD2 3.9Å; F12-L62 HydrophobicContact CD2-CD2 4.26Å; F12-L62 HydrophobicContact CG-CD2 4.49Å; F12-Q63 PolarHBondContact O-N 3.48Å; F12-A169 HydrophobicContact CD2-CB 4.27Å; F12-A169 HydrophobicContact CE2-CB 4.35Å; F12-A169 WeakPolarHBondContact CE2-O 3.05Å; F12-I172 HydrophobicContact CD1-CG2 4.21Å; F12-I172 HydrophobicContact CD2-CB 4.06Å; F12-I172 HydrophobicContact CD2-CD1 4.06Å; F12-I172 HydrophobicContact CD2-CG2 3.84Å; F12-I172 HydrophobicContact CE1-CG2 3.96Å; F12-I172 HydrophobicContact CE2-CB 3.74Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 4.19Å; F12-I172 HydrophobicContact CZ-CB 4.26Å; F12-I172 HydrophobicContact CZ-CG2 3.62Å; F12-H173 HydrophobicContact CE2-CB 4.44Å; F12-H173 HydrophobicContact CZ-CB 4.31Å; F12-I176 HydrophobicContact CE1-CD1 3.82Å; F12-I176 HydrophobicContact CZ-CD1 3.82Å; F12-V190 HydrophobicContact CD1-CB 4.18Å; F12-V190 HydrophobicContact CD1-CG1 3.82Å; F12-V190 HydrophobicContact CD1-CG2 3.68Å; F12-V190 HydrophobicContact CE1-CB 4.26Å; F12-V190 HydrophobicContact CE1-CG1 3.55Å; F12-V190 HydrophobicContact CE1-CG2 3.81Å
13K96.3Very high86.4Confident37 Ų3742.9 Ų42.916%0.16123%0.227CC..EExtended strand (participates in β ladder)trans-88.7121.5174.2176.4174.5161.6-166.40110.4Q63 Y80 R82 G83 A85 G86 G189K13-Q63 CarbonylContact C-O 3.58Å; K13-Q63 WeakPolarHBondContact CA-O 3.44Å; K13-Y80 WeakPolarHBondContact CE-O 3.39Å; K13-Y80 PolarHBondContact NZ-O 3.02Å; K13-R82 PolarHBondContact NZ-O 2.8Å; K13-G83 WeakPolarHBondContact CD-O 3.27Å; K13-A85 PolarHBondContact O-N 2.74Å; K13-G86 PolarHBondContact O-N 2.93Å; K13-G189 PolarHBondContact N-O 2.79Å
14Y97.7Very high88.8Confident0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-110.2147.9174.4-7413.3000111.1F12 L62 Q63 I64 W65 G86 L88 F165 T168 A169 I172F12-Y14 HydrophobicContact CB-CD1 4.35Å; F12-Y14 HydrophobicContact CB-CE1 3.88Å; F12-Y14 HydrophobicContact CD2-CE1 4.48Å; Y14-L62 HydrophobicContact CD2-CD1 4.48Å; Y14-L62 HydrophobicContact CE1-CD2 4.04Å; Y14-L62 HydrophobicContact CE2-CD1 3.95Å; Y14-L62 HydrophobicContact CE2-CD2 4.24Å; Y14-Q63 PolarHBondContact N-O 2.88Å; Y14-I64 HydrophobicContact CD2-CG1 4.5Å; Y14-W65 PolarHBondContact O-N 3.25Å; Y14-G86 VanDerWaalsContact CA-O 3.27Å; Y14-G86 WeakPolarHBondContact CA-O 3.42Å; Y14-L88 HydrophobicContact CD2-CD1 4.21Å; Y14-L88 HydrophobicContact CD2-CG 4.38Å; Y14-F165 HydrophobicContact CD2-CD1 4.04Å; Y14-F165 HydrophobicContact CE2-CD1 4.18Å; Y14-F165 PolarHBondContact OH-O 3.05Å; Y14-T168 HydrophobicContact CE1-CG2 4Å; Y14-T168 HydrophobicContact CE2-CG2 3.84Å; Y14-T168 VanDerWaalsContact CZ-CG2 3.49Å; Y14-T168 VanDerWaalsContact OH-C 3.29Å; Y14-T168 WeakPolarHBondContact OH-CB 3.37Å; Y14-T168 WeakPolarHBondContact OH-CG2 3.36Å; Y14-A169 WeakPolarHBondContact OH-CA 2.85Å; Y14-A169 VanDerWaalsContact OH-CB 3.22Å; Y14-A169 WeakPolarHBondContact OH-CB 3.15Å; Y14-A169 PolarHBondContact OH-N 2.98Å; Y14-I172 HydrophobicContact CD1-CD1 4.41Å; Y14-I172 HydrophobicContact CE1-CD1 3.46Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.46Å
15I96Very high91Very high0 Ų033.8 Ų33.80%017%0.167CC..EExtended strand (participates in β ladder)trans-118141.8165.155.5164.6000109.5I17 W65 Y80 Y81 A84 G86 A87 L88 T113I15-I17 HydrophobicContact CB-CG2 4.47Å; I15-I17 HydrophobicContact CD1-CG2 3.9Å; I15-I17 HydrophobicContact CG1-CG2 4.36Å; I15-W65 WeakPolarHBondContact CA-O 3.4Å; I15-W65 HydrophobicContact CG2-CB 4.29Å; I15-Y80 VanDerWaalsContact CG2-O 3.31Å; I15-Y80 WeakPolarHBondContact CG2-O 3.28Å; I15-Y81 HydrophobicContact CD1-CD1 3.28Å; I15-Y81 HydrophobicContact CD1-CE1 3.6Å; I15-Y81 HydrophobicContact CD1-CG 3.82Å; I15-A84 HydrophobicContact CD1-CB 4.23Å; I15-A84 HydrophobicContact CG1-CB 3.88Å; I15-A84 HydrophobicContact CG2-CB 4.04Å; I15-G86 PolarHBondContact N-O 2.81Å; I15-A87 HydrophobicContact CD1-CB 4.07Å; I15-A87 HydrophobicContact CG1-CB 3.86Å; I15-L88 PolarHBondContact O-N 2.92Å; I15-T113 HydrophobicContact CD1-CG2 4.35Å
16I96.7Very high92.9Very high1 Ų126.3 Ų26.31%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-107123168.9-43.4-177.1000108K24 L28 I64 W65 T67 L88 V90 F165I16-K24 HydrophobicContact CB-CB 4.37Å; I16-K24 HydrophobicContact CG2-CB 3.65Å; I16-K24 HydrophobicContact CG2-CD 3.95Å; I16-K24 HydrophobicContact CG2-CG 3.73Å; I16-L28 HydrophobicContact CD1-CB 4.07Å; I16-I64 HydrophobicContact CD1-CG2 3.73Å; I16-I64 HydrophobicContact CG1-CG2 3.75Å; I16-W65 PolarHBondContact N-O 3.24Å; I16-T67 PolarHBondContact O-N 3.31Å; I16-T67 PolarHBondContact O-OG1 3.44Å; I16-L88 WeakPolarHBondContact CA-O 3.42Å; I16-L88 HydrophobicContact CG1-CB 4.41Å; I16-L88 HydrophobicContact CG1-CD1 4.29Å; I16-L88 HydrophobicContact CG2-CB 4.25Å; I16-V90 HydrophobicContact CG2-CG2 3.64Å; I16-F165 HydrophobicContact CD1-CZ 4.28Å
17I95.1Very high94.3Very high0 Ų017.9 Ų17.90%010%0.102CC..EExtended strand (participates in β ladder)trans-129162.9-17665175.3000111I15 K24 Y81 L88 M89 V90 W105 A109I15-I17 HydrophobicContact CB-CG2 4.47Å; I15-I17 HydrophobicContact CD1-CG2 3.9Å; I15-I17 HydrophobicContact CG1-CG2 4.36Å; I17-K24 VanDerWaalsContact C-CD 3.47Å; I17-Y81 HydrophobicContact CD1-CE1 3.92Å; I17-Y81 HydrophobicContact CG2-CE1 4.1Å; I17-L88 PolarHBondContact N-O 3.17Å; I17-M89 HydrophobicContact CD1-CB 4.31Å; I17-M89 HydrophobicContact CD1-CG 4.36Å; I17-M89 HydrophobicContact CG1-CB 4.04Å; I17-M89 HydrophobicContact CG1-CG 4.21Å; I17-V90 PolarHBondContact O-N 2.9Å; I17-W105 HydrophobicContact CB-CE3 4.03Å; I17-W105 HydrophobicContact CB-CZ3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.39Å; I17-A109 HydrophobicContact CD1-CB 4.02Å
18G95.2Very high94.8Very high0 Ų013.5 Ų13.50%08%0.078CC..  trans132171.1-175.300000112.1K24 G69 V90 W105G18-K24 PolarHBondContact O-NZ 2.86Å; G18-G69 WeakPolarHBondContact O-CA 3.42Å; G18-V90 WeakPolarHBondContact CA-O 3.28Å; G18-W105 VanDerWaalsContact C-CE2 3.5Å; G18-W105 VanDerWaalsContact C-CZ2 3.4Å; G18-W105 WeakPolarHBondContact O-CZ2 3.36Å
19D94.2Very high95Very high18 Ų1813.5 Ų13.510%0.0968%0.079CC..  trans-59.7162.8-174.1-8518.1000113.8V22 K24 T98 H101 W105D19-V22 HydrophobicContact CB-CG1 3.78Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.24Å; D19-K24 PolarHBondContact O-NZ 3.02Å; D19-T98 HydrophobicContact CB-CG2 3.88Å; D19-H101 IonicContact OD1-CG 3.59Å; D19-H101 IonicContact OD1-ND1 3.59Å; D19-H101 IonicContact OD2-CE1 3.32Å; D19-H101 IonicContact OD2-CG 2.71Å; D19-H101 IonicContact OD2-ND1 3.76Å; D19-H101 PolarHBondContact OD2-ND1 3.2Å; D19-W105 PolarHBondContact OD1-NE1 2.59Å
20M92.5Very high95.3Very high65 Ų6513.9 Ų13.932%0.328%0.08SC..THydrogen-bonded Turntrans-62.8137.2170.9-174.7178.375.800111.3V22 H42 G69 Q70 R95M20-V22 VanDerWaalsContact C-N 3.3Å; M20-V22 PolarHBondContact O-N 2.75Å; M20-H42 HydrophobicContact CG-CB 4.26Å; M20-H42 HydrophobicContact SD-CB 3.96Å; M20-H42 PolarHBondContact SD-CD2 2.89Å; M20-G69 PolarHBondContact N-O 3.27Å; M20-Q70 HydrophobicContact CB-CG 4.36Å; M20-Q70 HydrophobicContact CG-CG 4.31Å; M20-Q70 HydrophobicContact SD-CG 3.38Å; M20-Q70 WeakPolarHBondContact SD-CG 3.05Å; M20-R95 PolarHBondContact O-NH1 3.11Å; M20-R95 PolarHBondContact O-NH2 3.09Å
21G92.5Very high95.4Very high29 Ų2913 Ų1330%0.2998%0.076SC..THydrogen-bonded Turntrans77.28174.300000115.6G23 K125G21-G23 VanDerWaalsContact C-N 3.26Å; G21-K125 PolarHBondContact O-NZ 2.76Å
22V95.5Very high95.4Very high0 Ų014.5 Ų14.50%09%0.086CC..SBendtrans-74.6-16.4173.3-56.80000113.1D19 M20 K24 V90 D92 T98 N124D19-V22 HydrophobicContact CB-CG1 3.78Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.24Å; M20-V22 VanDerWaalsContact C-N 3.3Å; M20-V22 PolarHBondContact O-N 2.75Å; V22-K24 HydrophobicContact CG2-CD 4.37Å; V22-K24 HydrophobicContact CG2-CG 3.63Å; V22-V90 HydrophobicContact CB-CG1 4.22Å; V22-V90 HydrophobicContact CG2-CB 3.88Å; V22-V90 HydrophobicContact CG2-CG1 3.81Å; V22-D92 HydrophobicContact CB-CB 4.28Å; V22-D92 HydrophobicContact CG1-CB 4.12Å; V22-T98 HydrophobicContact CG1-CG2 3.74Å; V22-N124 PolarHBondContact O-ND2 3.36Å
23G95.2Very high95.2Very high12 Ų1219 Ų1912%0.12411%0.107CC..SBendtrans102.224176.600000115.9G21 S25 C26 L27G21-G23 VanDerWaalsContact C-N 3.26Å; G23-S25 PolarHBondContact O-N 3.47Å; G23-C26 WeakPolarHBondContact O-CB 3.41Å; G23-C26 PolarHBondContact O-N 2.8Å; G23-C26 VanDerWaalsContact O-N 3.15Å; G23-L27 WeakPolarHBondContact O-CG 3.39Å; G23-L27 PolarHBondContact O-N 3.31Å
24K95Very high94.9Very high9 Ų922.9 Ų22.94%0.03912%0.124CC..Hα-helixtrans-53.2-52.2176.7-58.3-171.6-62.2-73.10113.2I16 I17 G18 D19 V22 C26 L27 L28 D66 T67 V90I16-K24 HydrophobicContact CB-CB 4.37Å; I16-K24 HydrophobicContact CG2-CB 3.65Å; I16-K24 HydrophobicContact CG2-CD 3.95Å; I16-K24 HydrophobicContact CG2-CG 3.73Å; I17-K24 VanDerWaalsContact C-CD 3.47Å; G18-K24 PolarHBondContact O-NZ 2.86Å; D19-K24 PolarHBondContact O-NZ 3.02Å; V22-K24 HydrophobicContact CG2-CD 4.37Å; V22-K24 HydrophobicContact CG2-CG 3.63Å; K24-C26 VanDerWaalsContact C-N 3.32Å; K24-C26 PolarHBondContact O-N 2.84Å; K24-L27 WeakPolarHBondContact O-CB 3.34Å; K24-L27 PolarHBondContact O-N 2.9Å; K24-L28 PolarHBondContact O-N 3.35Å; K24-D66 WeakPolarHBondContact CB-OD1 3.29Å; K24-T67 WeakPolarHBondContact CE-O 3.3Å; K24-V90 HydrophobicContact CG-CB 4.25Å; K24-V90 HydrophobicContact CG-CG2 4.24Å
25S93.7Very high94.3Very high13 Ų1328.4 Ų28.49%0.09115%0.148CC..Hα-helixtrans-62.9-39.2176.4-39.90000111.5G23 L27 L28 H29 T43 D66G23-S25 PolarHBondContact O-N 3.47Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 3.15Å; S25-L28 WeakPolarHBondContact O-CB 3.42Å; S25-L28 PolarHBondContact O-N 2.84Å; S25-H29 WeakPolarHBondContact O-CB 3.47Å; S25-H29 PolarHBondContact O-CD2 3.2Å; S25-H29 PolarHBondContact O-N 3.31Å; S25-T43 PolarHBondContact OG-OG1 2.8Å; S25-D66 WeakPolarHBondContact CA-OD2 3.22Å; S25-D66 VanDerWaalsContact CB-OD2 3.24Å; S25-D66 WeakPolarHBondContact CB-OD2 3.23Å; S25-D66 PolarHBondContact OG-OD2 3.1Å
26C94.8Very high93.7Very high24 Ų2432.4 Ų32.416%0.16217%0.165CC..Hα-helixtrans-62.8-39.4176.5-53.80000111.8G23 K24 Q30 F36 A155G23-C26 WeakPolarHBondContact O-CB 3.41Å; G23-C26 PolarHBondContact O-N 2.8Å; G23-C26 VanDerWaalsContact O-N 3.15Å; K24-C26 VanDerWaalsContact C-N 3.32Å; K24-C26 PolarHBondContact O-N 2.84Å; C26-Q30 WeakPolarHBondContact O-CB 3.25Å; C26-Q30 PolarHBondContact O-N 3.32Å; C26-F36 HydrophobicContact CB-CD2 4.17Å; C26-F36 HydrophobicContact CB-CE2 4.04Å; C26-A155 HydrophobicContact CB-CB 3.62Å
27L96.7Very high92.7Very high2 Ų237.4 Ų37.41%0.0119%0.19CC..Hα-helixtrans-64.3-43.6174-72.3168.9000111.3G23 K24 S25 F31 V90 I122 N124 C153 A155 V161G23-L27 WeakPolarHBondContact O-CG 3.39Å; G23-L27 PolarHBondContact O-N 3.31Å; K24-L27 WeakPolarHBondContact O-CB 3.34Å; K24-L27 PolarHBondContact O-N 2.9Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 3.15Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.27Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 3.89Å; L27-I122 HydrophobicContact CD1-CG2 4.26Å; L27-N124 HydrophobicContact CD1-CB 4.49Å; L27-C153 HydrophobicContact CD2-CB 4.3Å; L27-A155 HydrophobicContact CD2-CB 3.89Å; L27-A155 HydrophobicContact CG-CB 4.1Å; L27-V161 HydrophobicContact CD2-CG1 4.26Å; L27-V161 HydrophobicContact CD2-CG2 3.81Å
28L95.9Very high91.6Very high3 Ų341.6 Ų41.62%0.01622%0.22CC..Hα-helixtrans-57-57175.4178.163.4000110.8I16 K24 S25 Q30 F31 T32 E47 I64 D66I16-L28 HydrophobicContact CD1-CB 4.07Å; K24-L28 PolarHBondContact O-N 3.35Å; S25-L28 WeakPolarHBondContact O-CB 3.42Å; S25-L28 PolarHBondContact O-N 2.84Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 2.71Å; L28-F31 PolarHBondContact O-N 2.81Å; L28-F31 VanDerWaalsContact O-N 3.16Å; L28-T32 HydrophobicContact CD1-CG2 3.96Å; L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.12Å; L28-E47 HydrophobicContact CD2-CB 4.29Å; L28-I64 HydrophobicContact CD1-CB 3.78Å; L28-I64 HydrophobicContact CD1-CD1 4.04Å; L28-I64 HydrophobicContact CD1-CG2 3.65Å; L28-D66 HydrophobicContact CD2-CB 3.68Å
29H94.6Very high90.4Very high33 Ų3348.7 Ų48.715%0.15326%0.258CS..Hα-helixtrans-63-38.9-177.7-74.1-61000112.3S25 F31 T32 E33 K34 K35 E47S25-H29 WeakPolarHBondContact O-CB 3.47Å; S25-H29 PolarHBondContact O-CD2 3.2Å; S25-H29 PolarHBondContact O-N 3.31Å; H29-F31 VanDerWaalsContact C-N 3.33Å; H29-F31 PolarHBondContact O-N 2.74Å; H29-T32 PolarHBondContact O-N 3.3Å; H29-E33 IonicContact ND1-OE1 3.41Å; H29-E33 WeakPolarHBondContact O-CA 3.44Å; H29-E33 WeakPolarHBondContact O-CB 3.44Å; H29-E33 PolarHBondContact O-N 3.26Å; H29-K34 PolarHBondContact O-N 3.45Å; H29-K35 CarbonylContact C-O 3.56Å; H29-E47 IonicContact CD2-OE2 2.71Å; H29-E47 IonicContact CE1-OE2 3.52Å; H29-E47 IonicContact NE2-OE2 3.49Å; H29-E47 PolarHBondContact NE2-OE2 3.4Å
30Q96.2Very high89Confident18 Ų1849.9 Ų49.98%0.08427%0.267CS..Hα-helixtrans-66.5-37.5176.3-177.166-49.700111.4C26 L28 K34 K35 A155 G158 V161C26-Q30 WeakPolarHBondContact O-CB 3.25Å; C26-Q30 PolarHBondContact O-N 3.32Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 2.71Å; Q30-K34 VanDerWaalsContact O-CA 3.3Å; Q30-K34 WeakPolarHBondContact O-CA 3.41Å; Q30-K34 PolarHBondContact O-N 3.43Å; Q30-K34 VanDerWaalsContact O-N 3.15Å; Q30-K34 VanDerWaalsContact OE1-CA 3.28Å; Q30-K35 WeakPolarHBondContact CA-O 3.4Å; Q30-K35 PolarHBondContact N-O 2.86Å; Q30-A155 WeakPolarHBondContact CG-O 2.99Å; Q30-A155 PolarHBondContact NE2-O 3.26Å; Q30-G158 VanDerWaalsContact NE2-CA 3.31Å; Q30-V161 HydrophobicContact CB-CG1 4.15Å; Q30-V161 HydrophobicContact CG-CB 4.23Å; Q30-V161 HydrophobicContact CG-CG1 3.97Å; Q30-V161 HydrophobicContact CG-CG2 4.07Å
31F97.2Very high88.1Confident1 Ų151.9 Ų51.90%0.00429%0.285CS..Hα-helixtrans-72-43.1175.8178.4-109.5000112.9L27 L28 H29 R51 I53 L62 I64 V161 F165L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.27Å; L28-F31 PolarHBondContact O-N 2.81Å; L28-F31 VanDerWaalsContact O-N 3.16Å; H29-F31 VanDerWaalsContact C-N 3.33Å; H29-F31 PolarHBondContact O-N 2.74Å; F31-R51 HydrophobicContact CD1-CB 4.49Å; F31-R51 HydrophobicContact CE1-CB 3.8Å; F31-R51 HydrophobicContact CE1-CG 4.25Å; F31-R51 VanDerWaalsContact CE2-NH1 3.25Å; F31-R51 HydrophobicContact CZ-CB 4.36Å; F31-R51 HydrophobicContact CZ-CG 4.38Å; F31-R51 WeakPolarHBondContact O-CD 3.41Å; F31-R51 PolarHBondContact O-NH1 2.96Å; F31-I53 HydrophobicContact CE2-CG2 4.47Å; F31-I53 HydrophobicContact CZ-CG2 3.8Å; F31-L62 HydrophobicContact CE1-CD1 4.01Å; F31-L62 HydrophobicContact CZ-CD1 3.95Å; F31-I64 HydrophobicContact CD1-CD1 3.69Å; F31-I64 HydrophobicContact CE1-CD1 3.7Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; F31-F165 HydrophobicContact CB-CD2 3.98Å; F31-F165 HydrophobicContact CB-CE2 3.67Å; F31-F165 HydrophobicContact CB-CZ 4Å; F31-F165 AromaticContact CD1-CD1 3.8Å; F31-F165 HydrophobicContact CD1-CD1 3.8Å; F31-F165 HydrophobicContact CD1-CD2 4.19Å; F31-F165 AromaticContact CD1-CE1 3.98Å; F31-F165 HydrophobicContact CD1-CE1 3.98Å; F31-F165 HydrophobicContact CD1-CE2 4.35Å; F31-F165 AromaticContact CD1-CG 3.91Å; F31-F165 HydrophobicContact CD1-CG 3.91Å; F31-F165 HydrophobicContact CD1-CZ 4.25Å; F31-F165 HydrophobicContact CD2-CB 3.94Å; F31-F165 AromaticContact CD2-CD2 3.64Å; F31-F165 HydrophobicContact CD2-CD2 3.64Å; F31-F165 HydrophobicContact CD2-CE2 4.24Å; F31-F165 AromaticContact CD2-CG 3.79Å; F31-F165 HydrophobicContact CD2-CG 3.79Å; F31-F165 HydrophobicContact CE1-CB 4.14Å; F31-F165 AromaticContact CE1-CD1 3.86Å; F31-F165 HydrophobicContact CE1-CD1 3.86Å; F31-F165 HydrophobicContact CE1-CE1 4.45Å; F31-F165 AromaticContact CE1-CG 3.97Å; F31-F165 HydrophobicContact CE1-CG 3.97Å; F31-F165 HydrophobicContact CE2-CB 3.53Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CG-CB 4.41Å; F31-F165 HydrophobicContact CG-CD1 4.13Å; F31-F165 AromaticContact CG-CD2 3.66Å; F31-F165 HydrophobicContact CG-CD2 3.66Å; F31-F165 HydrophobicContact CG-CE1 4.3Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.81Å; F31-F165 HydrophobicContact CG-CG 3.81Å; F31-F165 HydrophobicContact CG-CZ 4.15Å; F31-F165 HydrophobicContact CZ-CB 3.64Å; F31-F165 HydrophobicContact CZ-CD1 4.25Å; F31-F165 AromaticContact CZ-CG 3.94Å; F31-F165 HydrophobicContact CZ-CG 3.94Å
32T95.1Very high87.5Confident40 Ų4055.5 Ų55.525%0.24529%0.293CS..Hα-helixtrans-84.7-34.3-174.554.10000113.4L28 H29L28-T32 HydrophobicContact CD1-CG2 3.96Å; L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.12Å; H29-T32 PolarHBondContact O-N 3.3Å
33E92.6Very high86.5Confident93 Ų9356.5 Ų56.544%0.43530%0.299SS..Hα-helixtrans-120.1-7.3-171.2-57.7-167.3-165.700114.6H29 K35H29-E33 IonicContact ND1-OE1 3.41Å; H29-E33 WeakPolarHBondContact O-CA 3.44Å; H29-E33 WeakPolarHBondContact O-CB 3.44Å; H29-E33 PolarHBondContact O-N 3.26Å; E33-K35 HydrophobicContact CB-CB 4.29Å; E33-K35 HydrophobicContact CB-CD 4.14Å; E33-K35 HydrophobicContact CB-CG 4.18Å; E33-K35 PolarHBondContact O-N 3.16Å; E33-K35 IonicContact OE2-NZ 2.9Å; E33-K35 PolarHBondContact OE2-NZ 2.87Å
34K91.3Very high85.1Confident120 Ų12062 Ų6252%0.52233%0.325SS..SBendtrans55.936-172.2-55.7-66.3174-172.30112.4H29 Q30 E162H29-K34 PolarHBondContact O-N 3.45Å; Q30-K34 VanDerWaalsContact O-CA 3.3Å; Q30-K34 WeakPolarHBondContact O-CA 3.41Å; Q30-K34 PolarHBondContact O-N 3.43Å; Q30-K34 VanDerWaalsContact O-N 3.15Å; Q30-K34 VanDerWaalsContact OE1-CA 3.28Å; K34-E162 IonicContact NZ-OE2 2.72Å; K34-E162 PolarHBondContact NZ-OE2 2.93Å
35K85Confident84Confident115 Ų11563.3 Ų63.350%0.534%0.341SS..  trans-124.4143178.8-67.6176-163.9155.90111H29 Q30 E33H29-K35 CarbonylContact C-O 3.56Å; Q30-K35 WeakPolarHBondContact CA-O 3.4Å; Q30-K35 PolarHBondContact N-O 2.86Å; E33-K35 HydrophobicContact CB-CB 4.29Å; E33-K35 HydrophobicContact CB-CD 4.14Å; E33-K35 HydrophobicContact CB-CG 4.18Å; E33-K35 PolarHBondContact O-N 3.16Å; E33-K35 IonicContact OE2-NZ 2.9Å; E33-K35 PolarHBondContact OE2-NZ 2.87Å
36F82.1Confident83.4Confident84 Ų8464.6 Ų64.637%0.36835%0.348SS..  trans-111.7127.8166.6178.7-102.4000109.7C26 A155 K156C26-F36 HydrophobicContact CB-CD2 4.17Å; C26-F36 HydrophobicContact CB-CE2 4.04Å; F36-A155 HydrophobicContact CD2-CB 4.46Å; F36-A155 WeakPolarHBondContact CD2-O 3.39Å; F36-K156 HydrophobicContact CD1-CB 4.43Å; F36-K156 HydrophobicContact CD1-CG 4.06Å; F36-K156 VanDerWaalsContact CD2-CA 3.49Å; F36-K156 HydrophobicContact CD2-CB 4.14Å; F36-K156 HydrophobicContact CE1-CB 4.29Å; F36-K156 HydrophobicContact CE1-CG 3.95Å; F36-K156 HydrophobicContact CE2-CB 3.98Å; F36-K156 HydrophobicContact CG-CB 4.35Å; F36-K156 HydrophobicContact CG-CG 4.4Å; F36-K156 HydrophobicContact CZ-CB 4.06Å; F36-K156 HydrophobicContact CZ-CG 4.19Å
37M77.1Confident83.1Confident107 Ų10766.8 Ų66.853%0.52736%0.356SS..  trans-109.1108.1174.1-60.8-178.579.900108.3D39 C40M37-D39 VanDerWaalsContact C-N 3.33Å; M37-C40 HydrophobicContact CB-CB 4.39Å
38S71.2Confident82.8Confident88 Ų8871.4 Ų71.462%0.61538%0.376SS*.THydrogen-bonded Turntrans-65.5-37.7179.452.50000112.4C40S38-C40 PolarHBondContact O-N 3.41Å
39D69.4Low82.7Confident149 Ų14971.7 Ų71.780%0.79738%0.38SS*.THydrogen-bonded Turntrans-102.444.3-172.5-56-28.8000111.7M37M37-D39 VanDerWaalsContact C-N 3.33Å
40C64.8Low82.7Confident43 Ų4373 Ų7329%0.29139%0.39SS..PPolyproline II helixtrans-80.6122.2177.2-1640000110.2M37 S38M37-C40 HydrophobicContact CB-CB 4.39Å; S38-C40 PolarHBondContact O-N 3.41Å
41P75.1Confident82.7Confident107 Ų10775.3 Ų75.370%0.69540%0.398SS*.PPolyproline II helixtrans-60.7155.6173.126.9-33.7000110.5T43P41-T43 PolarHBondContact O-N 2.79Å
42H80Confident82.6Confident104 Ų10477.9 Ų77.948%0.48141%0.411SS..PPolyproline II helixtrans-59.4134.7174.7-63.7-43.3000111.1M20 I44M20-H42 HydrophobicContact CG-CB 4.26Å; M20-H42 HydrophobicContact SD-CB 3.96Å; M20-H42 PolarHBondContact SD-CD2 2.89Å; H42-I44 PolarHBondContact O-N 3.26Å; H42-I44 VanDerWaalsContact O-N 3.15Å
43T74.6Confident82.7Confident21 Ų2176.5 Ų76.513%0.12940%0.402CS..PPolyproline II helixtrans-60.5116.6175.4-32.10000110.1S25 P41 G45 E47 A68S25-T43 PolarHBondContact OG-OG1 2.8Å; P41-T43 PolarHBondContact O-N 2.79Å; T43-G45 WeakPolarHBondContact CG2-O 3.22Å; T43-E47 HydrophobicContact CG2-CG 4.23Å; T43-A68 VanDerWaalsContact O-CB 3.3Å; T43-A68 WeakPolarHBondContact O-CB 3.1Å
44I64.4Low82.8Confident129 Ų12977.9 Ų77.966%0.66241%0.409SS*.SBendtrans-89.2-17.3176.1-61.5177.1000110.8H42 F73H42-I44 PolarHBondContact O-N 3.26Å; H42-I44 VanDerWaalsContact O-N 3.15Å; I44-F73 HydrophobicContact CG2-CE2 4.2Å; I44-F73 HydrophobicContact CG2-CZ 3.85Å
45G71.5Confident83Confident36 Ų3672.3 Ų72.337%0.37139%0.385SS..SBendtrans-132.1-140.4-179.300000113.3T43 A68T43-G45 WeakPolarHBondContact CG2-O 3.22Å; G45-A68 WeakPolarHBondContact O-CB 3.23Å; G45-A68 PolarHBondContact O-N 2.97Å
46V82Confident83.2Confident40 Ų4071.2 Ų71.224%0.24239%0.392CS..EExtended strand (participates in β ladder)trans-122.7126.6175.7179.70000108.7W65 D66 Y80V46-W65 HydrophobicContact CG1-CB 4.18Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; V46-D66 CarbonylContact C-O 3.57Å; V46-D66 VanDerWaalsContact CA-O 3.23Å; V46-D66 WeakPolarHBondContact CA-O 3.31Å; V46-D66 WeakPolarHBondContact CG1-O 3.19Å; V46-Y80 HydrophobicContact CB-CE1 4.33Å; V46-Y80 HydrophobicContact CB-CE2 4.13Å; V46-Y80 HydrophobicContact CG1-CD1 4.11Å; V46-Y80 HydrophobicContact CG1-CE1 3.86Å; V46-Y80 HydrophobicContact CG1-CE2 4.31Å; V46-Y80 HydrophobicContact CG1-CG 4.44Å; V46-Y80 HydrophobicContact CG2-CD2 3.81Å; V46-Y80 HydrophobicContact CG2-CE1 4.4Å; V46-Y80 HydrophobicContact CG2-CE2 3.38Å; V46-Y80 HydrophobicContact CG2-CG 4.48Å
47E88.1Confident83.7Confident69 Ų6969.8 Ų69.832%0.32240%0.401SS..EExtended strand (participates in β ladder)trans-95.6145.2172.1-69-171.5-177.700109.8L28 H29 T43 D66L28-E47 HydrophobicContact CD2-CB 4.29Å; H29-E47 IonicContact CD2-OE2 2.71Å; H29-E47 IonicContact CE1-OE2 3.52Å; H29-E47 IonicContact NE2-OE2 3.49Å; H29-E47 PolarHBondContact NE2-OE2 3.4Å; T43-E47 HydrophobicContact CG2-CG 4.23Å; E47-D66 HydrophobicContact CB-CB 4.21Å; E47-D66 PolarHBondContact N-O 3.18Å; E47-D66 PolarHBondContact O-N 2.82Å
48F90.6Very high84.4Confident99 Ų9967.9 Ų67.943%0.43439%0.391SS..EExtended strand (participates in β ladder)trans-119.6121.5-179.3175.8-98.9000110Q63 I64 W65F48-Q63 HydrophobicContact CE2-CB 3.83Å; F48-Q63 HydrophobicContact CE2-CG 4.05Å; F48-Q63 HydrophobicContact CZ-CB 4.16Å; F48-Q63 HydrophobicContact CZ-CG 3.89Å; F48-I64 WeakPolarHBondContact CA-O 3.4Å; F48-W65 HydrophobicContact CB-CE3 4.32Å; F48-W65 HydrophobicContact CB-CZ3 4.32Å; F48-W65 AromaticContact CD2-CD2 3.83Å; F48-W65 HydrophobicContact CD2-CD2 3.83Å; F48-W65 AromaticContact CD2-CE2 3.75Å; F48-W65 AromaticContact CD2-CE3 3.96Å; F48-W65 HydrophobicContact CD2-CE3 3.96Å; F48-W65 HydrophobicContact CD2-CG 4.46Å; F48-W65 HydrophobicContact CD2-CH2 4.06Å; F48-W65 AromaticContact CD2-CZ2 3.88Å; F48-W65 HydrophobicContact CD2-CZ2 3.88Å; F48-W65 HydrophobicContact CD2-CZ3 4.07Å; F48-W65 HydrophobicContact CE2-CD2 4.48Å; F48-W65 AromaticContact CE2-CE2 3.97Å; F48-W65 HydrophobicContact CE2-CZ2 4.02Å
49G93.2Very high85.5Confident9 Ų968.5 Ų68.59%0.09338%0.382CS..EExtended strand (participates in β ladder)trans-117.2155.6171.100000111.8I64G49-I64 PolarHBondContact N-O 3.44Å; G49-I64 PolarHBondContact O-N 2.76Å
50T95.3Very high86.8Confident62 Ų6261.4 Ų61.438%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-141.6138.9174.6-1680000111.1K61 L62T50-K61 WeakPolarHBondContact OG1-CE 3.2Å; T50-L62 VanDerWaalsContact CA-O 3.25Å; T50-L62 WeakPolarHBondContact CA-O 3.35Å; T50-L62 WeakPolarHBondContact CB-O 3.47Å; T50-L62 PolarHBondContact OG1-O 3.22Å
51R96.1Very high88.3Confident65 Ų6561.7 Ų61.725%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-147.1139.9174.9-172.9167.9173-148.9-14.8109.5F31 I53 L62 E162F31-R51 HydrophobicContact CD1-CB 4.49Å; F31-R51 HydrophobicContact CE1-CB 3.8Å; F31-R51 HydrophobicContact CE1-CG 4.25Å; F31-R51 VanDerWaalsContact CE2-NH1 3.25Å; F31-R51 HydrophobicContact CZ-CB 4.36Å; F31-R51 HydrophobicContact CZ-CG 4.38Å; F31-R51 WeakPolarHBondContact O-CD 3.41Å; F31-R51 PolarHBondContact O-NH1 2.96Å; R51-I53 HydrophobicContact CG-CG2 4.34Å; R51-L62 PolarHBondContact N-O 3.35Å; R51-L62 PolarHBondContact O-N 2.88Å; R51-E162 IonicContact CZ-OE1 2.83Å; R51-E162 IonicContact CZ-OE2 3.99Å; R51-E162 VanDerWaalsContact NH1-CD 3.29Å; R51-E162 IonicContact NH1-OE1 3.94Å; R51-E162 PolarHBondContact NH1-OE1 3.35Å; R51-E162 IonicContact NH1-OE2 2.68Å; R51-E162 PolarHBondContact NH1-OE2 3.05Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 3.04Å; R51-E162 IonicContact NH2-OE2 3.57Å
52I95.9Very high89.4Confident55 Ų5556.6 Ų56.628%0.28231%0.307SS..EExtended strand (participates in β ladder)trans-93.3126.7171.4-63.1170000107.5Y6 Y8 K59 I60 K61Y6-I52 VanDerWaalsContact CB-CD1 3.5Å; Y6-I52 HydrophobicContact CD1-CD1 3.79Å; Y6-I52 HydrophobicContact CG-CD1 3.92Å; Y8-I52 HydrophobicContact CD1-CD1 3.71Å; Y8-I52 HydrophobicContact CD1-CG1 4.36Å; Y8-I52 HydrophobicContact CE1-CD1 4.28Å; I52-K59 HydrophobicContact CG2-CB 4.24Å; I52-I60 WeakPolarHBondContact CA-O 3.32Å; I52-K61 HydrophobicContact CG1-CB 3.98Å; I52-K61 HydrophobicContact CG1-CG 4.08Å
53I96.7Very high90.2Very high11 Ų1153.7 Ų53.76%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-119.2167.4175.161.1169.4000109.7F31 R51 V55 K59 I60 L62 I166 A169F31-I53 HydrophobicContact CE2-CG2 4.47Å; F31-I53 HydrophobicContact CZ-CG2 3.8Å; R51-I53 HydrophobicContact CG-CG2 4.34Å; I53-V55 HydrophobicContact CD1-CG2 3.84Å; I53-V55 HydrophobicContact CG1-CG2 4.27Å; I53-K59 WeakPolarHBondContact O-CA 3.39Å; I53-I60 HydrophobicContact CG1-CB 4.28Å; I53-I60 PolarHBondContact N-O 2.9Å; I53-I60 PolarHBondContact O-N 3.27Å; I53-L62 HydrophobicContact CD1-CD1 3.7Å; I53-L62 HydrophobicContact CD1-CD2 4.24Å; I53-L62 HydrophobicContact CD1-CG 3.99Å; I53-L62 HydrophobicContact CG1-CD1 4.27Å; I53-L62 HydrophobicContact CG1-CG 4.14Å; I53-I166 HydrophobicContact CD1-CG1 4.2Å; I53-A169 HydrophobicContact CD1-CB 3.61Å
54E95.4Very high91.3Very high122 Ų12252.7 Ų52.757%0.5729%0.288SS*.EExtended strand (participates in β ladder)trans-117.1126.6174.9-170.5170.5161.600109.8Q58E54-Q58 WeakPolarHBondContact CA-O 3.48Å
55V94.8Very high92.7Very high3 Ų349.7 Ų49.72%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-134.6120.4-179.4178.30000107.7I53 G57 Q58 I60 I166 A169 R170I53-V55 HydrophobicContact CD1-CG2 3.84Å; I53-V55 HydrophobicContact CG1-CG2 4.27Å; V55-G57 PolarHBondContact O-N 2.79Å; V55-Q58 PolarHBondContact N-O 2.99Å; V55-Q58 WeakPolarHBondContact O-CB 3.3Å; V55-Q58 PolarHBondContact O-N 3.1Å; V55-I60 HydrophobicContact CB-CD1 3.79Å; V55-I60 HydrophobicContact CG2-CD1 4.03Å; V55-I166 HydrophobicContact CG2-CG2 4.39Å; V55-A169 HydrophobicContact CG2-CB 3.92Å; V55-R170 HydrophobicContact CG1-CB 3.87Å; V55-R170 HydrophobicContact CG1-CG 4.18Å
56S89.9Confident93.6Very high93 Ų9348 Ų4865%0.6525%0.251SS*.THydrogen-bonded Turntrans51.840.8-179.4-54.70000113.3Q58S56-Q58 PolarHBondContact O-N 3.23Å
57G91Very high93.7Very high54 Ų5446.1 Ų46.156%0.55724%0.239SC*.THydrogen-bonded Turntrans740.3-177.300000115.2V55V55-G57 PolarHBondContact O-N 2.79Å
58Q92.3Very high93.4Very high67 Ų6742.9 Ų42.931%0.31323%0.225SC..EExtended strand (participates in β ladder)trans-97.4128.8176.1-64.3-62-32.400110.6S9 Y10 E54 V55 S56 I60S9-Q58 VanDerWaalsContact CB-OE1 3.32Å; S9-Q58 PolarHBondContact OG-OE1 2.81Å; Y10-Q58 HydrophobicContact CE2-CG 4.46Å; E54-Q58 WeakPolarHBondContact CA-O 3.48Å; V55-Q58 PolarHBondContact N-O 2.99Å; V55-Q58 WeakPolarHBondContact O-CB 3.3Å; V55-Q58 PolarHBondContact O-N 3.1Å; S56-Q58 PolarHBondContact O-N 3.23Å; Q58-I60 HydrophobicContact CB-CG1 4.43Å
59K95.2Very high92.5Very high100 Ų10038.7 Ų38.744%0.43521%0.209SC..EExtended strand (participates in β ladder)trans-79.5122.3170-73.2-178.7-179.3-179.70109.5N7 Y8 S9 I52 I53N7-K59 WeakPolarHBondContact O-CB 3.4Å; N7-K59 WeakPolarHBondContact O-CD 3.39Å; Y8-K59 CarbonylContact C-O 3.6Å; Y8-K59 WeakPolarHBondContact CA-O 3.36Å; Y8-K59 WeakPolarHBondContact CB-O 3.26Å; S9-K59 PolarHBondContact N-O 3.04Å; I52-K59 HydrophobicContact CG2-CB 4.24Å; I53-K59 WeakPolarHBondContact O-CA 3.39Å
60I96.4Very high91.6Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-122.5124.3-176.1-55.9178.2000108.1Y10 F12 I52 I53 V55 Q58 L62 H173Y10-I60 HydrophobicContact CD2-CG1 4.47Å; F12-I60 HydrophobicContact CB-CG2 4.33Å; F12-I60 HydrophobicContact CD1-CG2 4.13Å; F12-I60 HydrophobicContact CD2-CD1 4.42Å; F12-I60 HydrophobicContact CD2-CG2 3.58Å; F12-I60 HydrophobicContact CE1-CG2 4.32Å; F12-I60 HydrophobicContact CE2-CD1 3.66Å; F12-I60 HydrophobicContact CE2-CG2 3.82Å; F12-I60 HydrophobicContact CG-CG2 3.74Å; F12-I60 HydrophobicContact CZ-CD1 3.88Å; F12-I60 HydrophobicContact CZ-CG2 4.18Å; I52-I60 WeakPolarHBondContact CA-O 3.32Å; I53-I60 HydrophobicContact CG1-CB 4.28Å; I53-I60 PolarHBondContact N-O 2.9Å; I53-I60 PolarHBondContact O-N 3.27Å; V55-I60 HydrophobicContact CB-CD1 3.79Å; V55-I60 HydrophobicContact CG2-CD1 4.03Å; Q58-I60 HydrophobicContact CB-CG1 4.43Å; I60-L62 HydrophobicContact CG2-CD2 3.98Å; I60-H173 HydrophobicContact CD1-CB 4.45Å
61K96.7Very high90Very high49 Ų4943.6 Ų43.621%0.21323%0.225CC..EExtended strand (participates in β ladder)trans-86.5112.8171.3-177175.1-178.7177.20109.4Y8 Y10 I11 F12 T50 I52Y8-K61 HydrophobicContact CD1-CB 4.11Å; Y8-K61 HydrophobicContact CD1-CD 4.38Å; Y8-K61 HydrophobicContact CD2-CB 3.79Å; Y8-K61 HydrophobicContact CE1-CB 4.31Å; Y8-K61 HydrophobicContact CE1-CD 3.79Å; Y8-K61 HydrophobicContact CE2-CB 3.99Å; Y8-K61 HydrophobicContact CE2-CD 4.1Å; Y8-K61 HydrophobicContact CG-CB 3.86Å; Y10-K61 PolarHBondContact O-N 3Å; I11-K61 CarbonylContact C-O 3.58Å; I11-K61 VanDerWaalsContact CA-O 3.25Å; I11-K61 WeakPolarHBondContact CA-O 3.22Å; I11-K61 HydrophobicContact CG1-CB 4.21Å; F12-K61 PolarHBondContact N-O 3.39Å; T50-K61 WeakPolarHBondContact OG1-CE 3.2Å; I52-K61 HydrophobicContact CG1-CB 3.98Å; I52-K61 HydrophobicContact CG1-CG 4.08Å
62L97.8Very high88.7Confident0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-80.3133.5169.2-57.4-172000109.9F12 Y14 F31 T50 R51 I53 I60 I64 F165 A169F12-L62 HydrophobicContact CB-CD2 3.9Å; F12-L62 HydrophobicContact CD2-CD2 4.26Å; F12-L62 HydrophobicContact CG-CD2 4.49Å; Y14-L62 HydrophobicContact CD2-CD1 4.48Å; Y14-L62 HydrophobicContact CE1-CD2 4.04Å; Y14-L62 HydrophobicContact CE2-CD1 3.95Å; Y14-L62 HydrophobicContact CE2-CD2 4.24Å; F31-L62 HydrophobicContact CE1-CD1 4.01Å; F31-L62 HydrophobicContact CZ-CD1 3.95Å; T50-L62 VanDerWaalsContact CA-O 3.25Å; T50-L62 WeakPolarHBondContact CA-O 3.35Å; T50-L62 WeakPolarHBondContact CB-O 3.47Å; T50-L62 PolarHBondContact OG1-O 3.22Å; R51-L62 PolarHBondContact N-O 3.35Å; R51-L62 PolarHBondContact O-N 2.88Å; I53-L62 HydrophobicContact CD1-CD1 3.7Å; I53-L62 HydrophobicContact CD1-CD2 4.24Å; I53-L62 HydrophobicContact CD1-CG 3.99Å; I53-L62 HydrophobicContact CG1-CD1 4.27Å; I53-L62 HydrophobicContact CG1-CG 4.14Å; I60-L62 HydrophobicContact CG2-CD2 3.98Å; L62-I64 HydrophobicContact CB-CD1 4.18Å; L62-I64 HydrophobicContact CB-CG1 4.06Å; L62-F165 HydrophobicContact CD1-CB 4.24Å; L62-F165 HydrophobicContact CD1-CD1 4.37Å; L62-A169 HydrophobicContact CD2-CB 4.39Å
63Q96.7Very high87.5Confident44 Ų4449.6 Ų49.621%0.20625%0.246CC..EExtended strand (participates in β ladder)trans-114.8106.3170-77.8-169.6-26.300107.7I11 F12 K13 Y14 F48I11-Q63 HydrophobicContact CG2-CB 4.42Å; I11-Q63 HydrophobicContact CG2-CG 3.73Å; F12-Q63 PolarHBondContact O-N 3.48Å; K13-Q63 CarbonylContact C-O 3.58Å; K13-Q63 WeakPolarHBondContact CA-O 3.44Å; Y14-Q63 PolarHBondContact N-O 2.88Å; F48-Q63 HydrophobicContact CE2-CB 3.83Å; F48-Q63 HydrophobicContact CE2-CG 4.05Å; F48-Q63 HydrophobicContact CZ-CB 4.16Å; F48-Q63 HydrophobicContact CZ-CG 3.89Å
64I96.7Very high86Confident0 Ų051.9 Ų51.90%025%0.254CS..EExtended strand (participates in β ladder)trans-112.1122.1-167.6-52.8156.8000108.3Y14 I16 L28 F31 F48 G49 L62 F165Y14-I64 HydrophobicContact CD2-CG1 4.5Å; I16-I64 HydrophobicContact CD1-CG2 3.73Å; I16-I64 HydrophobicContact CG1-CG2 3.75Å; L28-I64 HydrophobicContact CD1-CB 3.78Å; L28-I64 HydrophobicContact CD1-CD1 4.04Å; L28-I64 HydrophobicContact CD1-CG2 3.65Å; F31-I64 HydrophobicContact CD1-CD1 3.69Å; F31-I64 HydrophobicContact CE1-CD1 3.7Å; F48-I64 WeakPolarHBondContact CA-O 3.4Å; G49-I64 PolarHBondContact N-O 3.44Å; G49-I64 PolarHBondContact O-N 2.76Å; L62-I64 HydrophobicContact CB-CD1 4.18Å; L62-I64 HydrophobicContact CB-CG1 4.06Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CG1-CD1 4.46Å; I64-F165 HydrophobicContact CG1-CE1 4.19Å; I64-F165 HydrophobicContact CG2-CE1 4.12Å
65W94.3Very high84.7Confident65 Ų6549.7 Ų49.725%0.24626%0.257CS..EExtended strand (participates in β ladder)trans-103.5105.2176.8-59.487.5000108.8Y14 I15 I16 V46 F48 Y80Y14-W65 PolarHBondContact O-N 3.25Å; I15-W65 WeakPolarHBondContact CA-O 3.4Å; I15-W65 HydrophobicContact CG2-CB 4.29Å; I16-W65 PolarHBondContact N-O 3.24Å; V46-W65 HydrophobicContact CG1-CB 4.18Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; F48-W65 HydrophobicContact CB-CE3 4.32Å; F48-W65 HydrophobicContact CB-CZ3 4.32Å; F48-W65 AromaticContact CD2-CD2 3.83Å; F48-W65 HydrophobicContact CD2-CD2 3.83Å; F48-W65 AromaticContact CD2-CE2 3.75Å; F48-W65 AromaticContact CD2-CE3 3.96Å; F48-W65 HydrophobicContact CD2-CE3 3.96Å; F48-W65 HydrophobicContact CD2-CG 4.46Å; F48-W65 HydrophobicContact CD2-CH2 4.06Å; F48-W65 AromaticContact CD2-CZ2 3.88Å; F48-W65 HydrophobicContact CD2-CZ2 3.88Å; F48-W65 HydrophobicContact CD2-CZ3 4.07Å; F48-W65 HydrophobicContact CE2-CD2 4.48Å; F48-W65 AromaticContact CE2-CE2 3.97Å; F48-W65 HydrophobicContact CE2-CZ2 4.02Å; W65-Y80 HydrophobicContact CB-CD1 4.33Å; W65-Y80 AromaticContact CD2-CD1 3.76Å; W65-Y80 HydrophobicContact CD2-CD1 3.76Å; W65-Y80 HydrophobicContact CD2-CE1 4.03Å; W65-Y80 AromaticContact CE3-CD1 3.58Å; W65-Y80 HydrophobicContact CE3-CD1 3.58Å; W65-Y80 AromaticContact CE3-CE1 3.37Å; W65-Y80 HydrophobicContact CE3-CE1 3.37Å; W65-Y80 HydrophobicContact CG-CD1 4.12Å; W65-Y80 HydrophobicContact CH2-CE1 4.26Å; W65-Y80 HydrophobicContact CZ3-CD1 4.12Å; W65-Y80 AromaticContact CZ3-CE1 3.51Å; W65-Y80 HydrophobicContact CZ3-CE1 3.51Å
66D90.6Very high83.2Confident0 Ų053 Ų530%028%0.277CS..EExtended strand (participates in β ladder)trans-81125.8169.9172.942000109.4K24 S25 L28 V46 E47K24-D66 WeakPolarHBondContact CB-OD1 3.29Å; S25-D66 WeakPolarHBondContact CA-OD2 3.22Å; S25-D66 VanDerWaalsContact CB-OD2 3.24Å; S25-D66 WeakPolarHBondContact CB-OD2 3.23Å; S25-D66 PolarHBondContact OG-OD2 3.1Å; L28-D66 HydrophobicContact CD2-CB 3.68Å; V46-D66 CarbonylContact C-O 3.57Å; V46-D66 VanDerWaalsContact CA-O 3.23Å; V46-D66 WeakPolarHBondContact CA-O 3.31Å; V46-D66 WeakPolarHBondContact CG1-O 3.19Å; E47-D66 HydrophobicContact CB-CB 4.21Å; E47-D66 PolarHBondContact N-O 3.18Å; E47-D66 PolarHBondContact O-N 2.82Å
67T84.3Confident82.3Confident1 Ų148.8 Ų48.81%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-109.6148.7-17167.90000112.3I16 K24 G69 T77I16-T67 PolarHBondContact O-N 3.31Å; I16-T67 PolarHBondContact O-OG1 3.44Å; K24-T67 WeakPolarHBondContact CE-O 3.3Å; T67-G69 PolarHBondContact O-N 2.96Å; T67-T77 HydrophobicContact CG2-CG2 3.92Å
68A80.9Confident81.7Confident2 Ų252.6 Ų52.62%0.01725%0.245CC..  trans-61.2129.7171.400000111T43 G45 F73 T77T43-A68 VanDerWaalsContact O-CB 3.3Å; T43-A68 WeakPolarHBondContact O-CB 3.1Å; G45-A68 WeakPolarHBondContact O-CB 3.23Å; G45-A68 PolarHBondContact O-N 2.97Å; A68-F73 HydrophobicContact CB-CB 3.83Å; A68-F73 HydrophobicContact CB-CD2 3.8Å; A68-F73 HydrophobicContact CB-CG 4.16Å; A68-T77 PolarHBondContact O-OG1 2.98Å
69G73Confident81.3Confident10 Ų1053 Ų5310%0.10326%0.255CS..  trans-89.61.818000000115G18 M20 T67G18-G69 WeakPolarHBondContact O-CA 3.42Å; M20-G69 PolarHBondContact N-O 3.27Å; T67-G69 PolarHBondContact O-N 2.96Å
70Q74.4Confident80.9Confident41 Ų4151.1 Ų51.119%0.19225%0.246CC..SBendtrans-78.7140.4176.8-69.5-168.242.400110.8M20 R72 F73 R74M20-Q70 HydrophobicContact CB-CG 4.36Å; M20-Q70 HydrophobicContact CG-CG 4.31Å; M20-Q70 HydrophobicContact SD-CG 3.38Å; M20-Q70 WeakPolarHBondContact SD-CG 3.05Å; Q70-R72 VanDerWaalsContact C-N 3.28Å; Q70-R72 PolarHBondContact O-N 3.05Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.14Å; Q70-F73 HydrophobicContact CB-CD2 3.79Å; Q70-F73 HydrophobicContact CB-CE2 4.31Å; Q70-F73 HydrophobicContact CG-CD2 4.44Å; Q70-F73 PolarHBondContact O-N 2.65Å; Q70-R74 PolarHBondContact O-N 2.95Å
71E61.3Low80.6Confident134 Ų13451.2 Ų51.263%0.62625%0.246SC*.G310 helixtrans-53.9-44.3177.9-173.1-80.8165.300112.1F73 R74E71-F73 PolarHBondContact O-N 3.1Å; E71-R74 VanDerWaalsContact O-CB 3.29Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 WeakPolarHBondContact O-CG 3.39Å; E71-R74 PolarHBondContact O-N 3.33Å
72R68.1Low80.2Confident191 Ų19156.6 Ų56.672%0.72127%0.265SS*.G310 helixtrans-59.7-17.7178.5-64.8-176.1-66.8-179.1-1.6114.2Q70Q70-R72 VanDerWaalsContact C-N 3.28Å; Q70-R72 PolarHBondContact O-N 3.05Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.14Å
73F70.6Confident79.9Confident54 Ų5457 Ų5724%0.23727%0.269CS..G310 helixtrans-104.20.3176.9-58.9-48.4000113.6I44 A68 Q70 E71 A75 V76 T77I44-F73 HydrophobicContact CG2-CE2 4.2Å; I44-F73 HydrophobicContact CG2-CZ 3.85Å; A68-F73 HydrophobicContact CB-CB 3.83Å; A68-F73 HydrophobicContact CB-CD2 3.8Å; A68-F73 HydrophobicContact CB-CG 4.16Å; Q70-F73 HydrophobicContact CB-CD2 3.79Å; Q70-F73 HydrophobicContact CB-CE2 4.31Å; Q70-F73 HydrophobicContact CG-CD2 4.44Å; Q70-F73 PolarHBondContact O-N 2.65Å; E71-F73 PolarHBondContact O-N 3.1Å; F73-A75 PolarHBondContact O-N 3.39Å; F73-A75 VanDerWaalsContact O-N 3.13Å; F73-V76 WeakPolarHBondContact O-CB 3.42Å; F73-V76 PolarHBondContact O-N 2.93Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 VanDerWaalsContact O-N 3.1Å; F73-T77 PolarHBondContact O-OG1 3.31Å
74R66.8Low79.8Confident59 Ų5954.9 Ų54.922%0.22326%0.259CS..Hα-helixtrans-53.8-37.2179.7-80.9-176.6177.9-165.1-0.2112.9Q70 E71 V76 T77 R78 S104 W105Q70-R74 PolarHBondContact O-N 2.95Å; E71-R74 VanDerWaalsContact O-CB 3.29Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 WeakPolarHBondContact O-CG 3.39Å; E71-R74 PolarHBondContact O-N 3.33Å; R74-V76 VanDerWaalsContact C-N 3.3Å; R74-V76 PolarHBondContact O-N 3.13Å; R74-T77 WeakPolarHBondContact O-CB 3.45Å; R74-T77 PolarHBondContact O-N 2.9Å; R74-R78 WeakPolarHBondContact O-CG 3.36Å; R74-R78 PolarHBondContact O-N 3.1Å; R74-S104 PolarHBondContact NH1-OG 3.19Å; R74-W105 HydrophobicContact CG-CH2 4.49Å
75A66.2Low79.8Confident76 Ų7655 Ų5563%0.62826%0.261SS*.Hα-helixtrans-59.9-39176.600000112.8F73F73-A75 PolarHBondContact O-N 3.39Å; F73-A75 VanDerWaalsContact O-N 3.13Å
76V64.2Low80Confident74 Ų7452 Ų5245%0.44825%0.249SC..Hα-helixtrans-68.7-43.8175.5-178.30000109.6F73 R74 R78 S79 Y80F73-V76 WeakPolarHBondContact O-CB 3.42Å; F73-V76 PolarHBondContact O-N 2.93Å; R74-V76 VanDerWaalsContact C-N 3.3Å; R74-V76 PolarHBondContact O-N 3.13Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.96Å; V76-S79 PolarHBondContact O-N 3.03Å; V76-S79 PolarHBondContact O-OG 2.87Å; V76-Y80 HydrophobicContact CG1-CE2 4.14Å; V76-Y80 WeakPolarHBondContact O-CD2 3.04Å
77T72Confident80.3Confident3 Ų352 Ų522%0.01825%0.249CC..Hα-helixtrans-56.7-39.6177.2-51.40000112.4T67 A68 F73 R74 S79 Y80 Y81T67-T77 HydrophobicContact CG2-CG2 3.92Å; A68-T77 PolarHBondContact O-OG1 2.98Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 VanDerWaalsContact O-N 3.1Å; F73-T77 PolarHBondContact O-OG1 3.31Å; R74-T77 WeakPolarHBondContact O-CB 3.45Å; R74-T77 PolarHBondContact O-N 2.9Å; T77-S79 PolarHBondContact O-N 3.26Å; T77-S79 VanDerWaalsContact O-N 3.12Å; T77-Y80 PolarHBondContact O-N 3.2Å; T77-Y81 HydrophobicContact CG2-CD2 4.35Å; T77-Y81 HydrophobicContact CG2-CE2 3.66Å; T77-Y81 VanDerWaalsContact O-CD2 3.3Å; T77-Y81 WeakPolarHBondContact O-CD2 3.22Å
78R77.6Confident81Confident134 Ų13452 Ų5251%0.50625%0.249SC..Hα-helixtrans-52.8-36.2179.8-73.8-169.6174.5147.8-0.9113.7R74 V76 Y80 Y81 L112R74-R78 WeakPolarHBondContact O-CG 3.36Å; R74-R78 PolarHBondContact O-N 3.1Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.96Å; R78-Y80 PolarHBondContact O-N 3.43Å; R78-Y81 PolarHBondContact O-N 2.75Å; R78-L112 HydrophobicContact CB-CD1 4.14Å; R78-L112 HydrophobicContact CG-CD1 3.66Å
79S82.7Confident81.8Confident76 Ų7651.9 Ų51.953%0.53125%0.248SC..Hα-helixtrans-65.7-25.2179.268.90000113.7V76 T77V76-S79 PolarHBondContact O-N 3.03Å; V76-S79 PolarHBondContact O-OG 2.87Å; T77-S79 PolarHBondContact O-N 3.26Å; T77-S79 VanDerWaalsContact O-N 3.12Å
80Y87.4Confident83Confident60 Ų6051.4 Ų51.424%0.23524%0.243CC..Hα-helixtrans-86.3-21.9-177.1-66.7-84.9000113.3K13 I15 V46 W65 V76 T77 R78 R82K13-Y80 WeakPolarHBondContact CE-O 3.39Å; K13-Y80 PolarHBondContact NZ-O 3.02Å; I15-Y80 VanDerWaalsContact CG2-O 3.31Å; I15-Y80 WeakPolarHBondContact CG2-O 3.28Å; V46-Y80 HydrophobicContact CB-CE1 4.33Å; V46-Y80 HydrophobicContact CB-CE2 4.13Å; V46-Y80 HydrophobicContact CG1-CD1 4.11Å; V46-Y80 HydrophobicContact CG1-CE1 3.86Å; V46-Y80 HydrophobicContact CG1-CE2 4.31Å; V46-Y80 HydrophobicContact CG1-CG 4.44Å; V46-Y80 HydrophobicContact CG2-CD2 3.81Å; V46-Y80 HydrophobicContact CG2-CE1 4.4Å; V46-Y80 HydrophobicContact CG2-CE2 3.38Å; V46-Y80 HydrophobicContact CG2-CG 4.48Å; W65-Y80 HydrophobicContact CB-CD1 4.33Å; W65-Y80 AromaticContact CD2-CD1 3.76Å; W65-Y80 HydrophobicContact CD2-CD1 3.76Å; W65-Y80 HydrophobicContact CD2-CE1 4.03Å; W65-Y80 AromaticContact CE3-CD1 3.58Å; W65-Y80 HydrophobicContact CE3-CD1 3.58Å; W65-Y80 AromaticContact CE3-CE1 3.37Å; W65-Y80 HydrophobicContact CE3-CE1 3.37Å; W65-Y80 HydrophobicContact CG-CD1 4.12Å; W65-Y80 HydrophobicContact CH2-CE1 4.26Å; W65-Y80 HydrophobicContact CZ3-CD1 4.12Å; W65-Y80 AromaticContact CZ3-CE1 3.51Å; W65-Y80 HydrophobicContact CZ3-CE1 3.51Å; V76-Y80 HydrophobicContact CG1-CE2 4.14Å; V76-Y80 WeakPolarHBondContact O-CD2 3.04Å; T77-Y80 PolarHBondContact O-N 3.2Å; R78-Y80 PolarHBondContact O-N 3.43Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.03Å
81Y90.9Very high84.1Confident3 Ų349.4 Ų49.41%0.01223%0.234CC..Hα-helixtrans-59.7-40.7174.8-76.7-92.6000112.5I15 I17 T77 R78 G83 A84 D108 A109 L112 T113I15-Y81 HydrophobicContact CD1-CD1 3.28Å; I15-Y81 HydrophobicContact CD1-CE1 3.6Å; I15-Y81 HydrophobicContact CD1-CG 3.82Å; I17-Y81 HydrophobicContact CD1-CE1 3.92Å; I17-Y81 HydrophobicContact CG2-CE1 4.1Å; T77-Y81 HydrophobicContact CG2-CD2 4.35Å; T77-Y81 HydrophobicContact CG2-CE2 3.66Å; T77-Y81 VanDerWaalsContact O-CD2 3.3Å; T77-Y81 WeakPolarHBondContact O-CD2 3.22Å; R78-Y81 PolarHBondContact O-N 2.75Å; Y81-G83 PolarHBondContact O-N 2.89Å; Y81-G83 VanDerWaalsContact O-N 3.16Å; Y81-A84 WeakPolarHBondContact O-CB 3.37Å; Y81-A84 PolarHBondContact O-N 3.21Å; Y81-D108 HydrophobicContact CE1-CB 4.43Å; Y81-A109 HydrophobicContact CE1-CB 4Å; Y81-L112 VanDerWaalsContact CB-CB 3.46Å; Y81-L112 HydrophobicContact CD1-CB 4.14Å; Y81-L112 HydrophobicContact CD2-CB 4.42Å; Y81-L112 HydrophobicContact CD2-CD1 3.86Å; Y81-L112 HydrophobicContact CE2-CD1 4.17Å; Y81-L112 HydrophobicContact CG-CB 3.79Å; Y81-L112 HydrophobicContact CG-CD1 4.05Å; Y81-T113 HydrophobicContact CD1-CG2 3.75Å; Y81-T113 HydrophobicContact CG-CG2 4.4Å; Y81-T113 WeakPolarHBondContact O-CG2 3.4Å
82R88.7Confident85.9Confident161 Ų16143 Ų4361%0.60820%0.204SC*.THydrogen-bonded Turntrans-55.7123.5-176.7-171.1176.4-177.9150.4-2.6110.9K13 Y80 A84 E187K13-R82 PolarHBondContact NZ-O 2.8Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.03Å; R82-A84 VanDerWaalsContact C-N 3.33Å; R82-A84 PolarHBondContact O-N 2.84Å; R82-E187 HydrophobicContact CG-CG 4.16Å; R82-E187 VanDerWaalsContact CG-OE2 3.26Å; R82-E187 WeakPolarHBondContact CG-OE2 3.35Å; R82-E187 IonicContact CZ-OE1 3.01Å; R82-E187 IonicContact CZ-OE2 3.9Å; R82-E187 IonicContact NE-OE1 2.75Å; R82-E187 PolarHBondContact NE-OE1 2.89Å; R82-E187 IonicContact NE-OE2 3.2Å; R82-E187 PolarHBondContact NE-OE2 2.9Å; R82-E187 IonicContact NH2-OE1 2.59Å; R82-E187 PolarHBondContact NH2-OE1 3.25Å
83G90Very high87.4Confident9 Ų934 Ų349%0.09317%0.17CC..THydrogen-bonded Turntrans67.126.7-179.300000114.9K13 Y81 E187 G189K13-G83 WeakPolarHBondContact CD-O 3.27Å; Y81-G83 PolarHBondContact O-N 2.89Å; Y81-G83 VanDerWaalsContact O-N 3.16Å; G83-E187 WeakPolarHBondContact CA-O 3.5Å; G83-G189 WeakPolarHBondContact O-CA 3.44Å
84A95Very high88.7Confident0 Ų032.7 Ų32.70%017%0.167CC..  trans-74.7134.5162.700000109.8I15 Y81 R82 T113 T117I15-A84 HydrophobicContact CD1-CB 4.23Å; I15-A84 HydrophobicContact CG1-CB 3.88Å; I15-A84 HydrophobicContact CG2-CB 4.04Å; Y81-A84 WeakPolarHBondContact O-CB 3.37Å; Y81-A84 PolarHBondContact O-N 3.21Å; R82-A84 VanDerWaalsContact C-N 3.33Å; R82-A84 PolarHBondContact O-N 2.84Å; A84-T113 HydrophobicContact CB-CG2 4.21Å; A84-T117 PolarHBondContact O-OG1 3.06Å; A84-T117 VanDerWaalsContact O-OG1 3.05Å
85A96.7Very high90.2Very high3 Ų334 Ų343%0.02517%0.171CC..SBendtrans-89.2-28.6170.600000111.7K13 V118 I172 T188 V190K13-A85 PolarHBondContact O-N 2.74Å; A85-V118 PolarHBondContact O-N 2.86Å; A85-I172 HydrophobicContact CB-CD1 3.92Å; A85-I172 HydrophobicContact CB-CG2 4.35Å; A85-I172 WeakPolarHBondContact O-CD1 2.97Å; A85-T188 WeakPolarHBondContact CA-O 3.27Å; A85-T188 WeakPolarHBondContact CB-O 3.43Å; A85-V190 HydrophobicContact CB-CG2 3.84Å
86G98Very high91.8Very high0 Ų034 Ų340%016%0.155CC..EExtended strand (participates in β ladder)trans-130.9139.6175.800000111.7K13 Y14 I15 V118K13-G86 PolarHBondContact O-N 2.93Å; Y14-G86 VanDerWaalsContact CA-O 3.27Å; Y14-G86 WeakPolarHBondContact CA-O 3.42Å; I15-G86 PolarHBondContact N-O 2.81Å; G86-V118 CarbonylContact C-O 3.58Å; G86-V118 VanDerWaalsContact CA-O 3.28Å; G86-V118 WeakPolarHBondContact CA-O 3.36Å
87A97.5Very high93.4Very high0 Ų034.2 Ų34.20%016%0.157CC..EExtended strand (participates in β ladder)trans-122.5117.1171.700000110I15 T117 V118 I119 F120I15-A87 HydrophobicContact CD1-CB 4.07Å; I15-A87 HydrophobicContact CG1-CB 3.86Å; A87-T117 HydrophobicContact CB-CG2 4.25Å; A87-V118 PolarHBondContact N-O 3.01Å; A87-I119 HydrophobicContact CB-CG1 4.31Å; A87-I119 WeakPolarHBondContact O-CA 3.47Å; A87-F120 PolarHBondContact O-N 3.48Å
88L98.5Very high94.6Very high1 Ų134.1 Ų34.11%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-94.4103175.9-54.8-174.7000108.1Y14 I15 I16 I17 F120 I122 F165 T168Y14-L88 HydrophobicContact CD2-CD1 4.21Å; Y14-L88 HydrophobicContact CD2-CG 4.38Å; I15-L88 PolarHBondContact O-N 2.92Å; I16-L88 WeakPolarHBondContact CA-O 3.42Å; I16-L88 HydrophobicContact CG1-CB 4.41Å; I16-L88 HydrophobicContact CG1-CD1 4.29Å; I16-L88 HydrophobicContact CG2-CB 4.25Å; I17-L88 PolarHBondContact N-O 3.17Å; L88-F120 HydrophobicContact CD2-CB 3.82Å; L88-I122 HydrophobicContact CB-CD1 3.98Å; L88-I122 HydrophobicContact CD1-CD1 4.46Å; L88-I122 HydrophobicContact CD2-CD1 4.31Å; L88-I122 HydrophobicContact CG-CD1 4.47Å; L88-F165 HydrophobicContact CD1-CD1 3.75Å; L88-F165 HydrophobicContact CD1-CD2 4.47Å; L88-F165 HydrophobicContact CD1-CE1 3.35Å; L88-F165 HydrophobicContact CD1-CE2 4.17Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.6Å; L88-T168 HydrophobicContact CD2-CG2 4.38Å; L88-T168 WeakPolarHBondContact CD2-OG1 3.41Å
89M97.9Very high95.6Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-96.4113.9-177.7-176.2168.57000109.5I17 L102 W105 L106 F120 L121 I122 F142 L148I17-M89 HydrophobicContact CD1-CB 4.31Å; I17-M89 HydrophobicContact CD1-CG 4.36Å; I17-M89 HydrophobicContact CG1-CB 4.04Å; I17-M89 HydrophobicContact CG1-CG 4.21Å; M89-L102 HydrophobicContact CE-CB 4.48Å; M89-L102 HydrophobicContact CE-CD2 4.05Å; M89-L102 HydrophobicContact CG-CD2 3.72Å; M89-L102 HydrophobicContact SD-CD2 4.04Å; M89-W105 HydrophobicContact CG-CB 4.16Å; M89-W105 HydrophobicContact SD-CB 3.7Å; M89-L106 HydrophobicContact CE-CB 4.13Å; M89-L106 HydrophobicContact CE-CD1 4.42Å; M89-L106 HydrophobicContact SD-CB 4.01Å; M89-F120 PolarHBondContact N-O 3.18Å; M89-L121 HydrophobicContact CE-CD1 3.89Å; M89-L121 HydrophobicContact CG-CD1 4.44Å; M89-L121 CarbonylContact O-C 3.42Å; M89-L121 WeakPolarHBondContact O-CA 3.27Å; M89-I122 PolarHBondContact O-N 3.35Å; M89-F142 HydrophobicContact CE-CE1 4.09Å; M89-L148 HydrophobicContact CE-CD1 3.7Å
90V98.5Very high96.4Very high0 Ų030.3 Ų30.30%014%0.138CC..EExtended strand (participates in β ladder)trans-113133-167.4-167.90000111.1I16 I17 G18 V22 K24 L27 I122 N124I16-V90 HydrophobicContact CG2-CG2 3.64Å; I17-V90 PolarHBondContact O-N 2.9Å; G18-V90 WeakPolarHBondContact CA-O 3.28Å; V22-V90 HydrophobicContact CB-CG1 4.22Å; V22-V90 HydrophobicContact CG2-CB 3.88Å; V22-V90 HydrophobicContact CG2-CG1 3.81Å; K24-V90 HydrophobicContact CG-CB 4.25Å; K24-V90 HydrophobicContact CG-CG2 4.24Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 3.89Å; V90-I122 WeakPolarHBondContact CA-O 3.35Å; V90-I122 HydrophobicContact CG1-CB 4.48Å; V90-I122 HydrophobicContact CG2-CB 4.33Å; V90-I122 HydrophobicContact CG2-CD1 4.41Å; V90-N124 HydrophobicContact CG1-CB 3.78Å
91Y98.6Very high96.8Very high0 Ų031.5 Ų31.50%015%0.145CC..EExtended strand (participates in β ladder)trans-122.4168.7164.475-78.4000110.6I93 Y99 L102 L121 I122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.9Å; Y91-Y99 HydrophobicContact CD2-CD2 4.42Å; Y91-Y99 HydrophobicContact CE2-CD2 4.43Å; Y91-L102 HydrophobicContact CD1-CD1 3.98Å; Y91-L102 HydrophobicContact CD1-CD2 4.43Å; Y91-L102 HydrophobicContact CG-CD1 4.25Å; Y91-L121 HydrophobicContact CD1-CD1 3.76Å; Y91-L121 HydrophobicContact CD1-CG 4.4Å; Y91-L121 HydrophobicContact CE1-CD1 4.05Å; Y91-L121 HydrophobicContact CE1-CG 4.19Å; Y91-I122 VanDerWaalsContact CD1-O 3.28Å; Y91-I122 WeakPolarHBondContact CD1-O 3.42Å; Y91-I122 PolarHBondContact N-O 2.85Å; Y91-N124 PolarHBondContact O-N 3.33Å; Y91-V134 HydrophobicContact CD2-CG1 4.49Å; Y91-V134 HydrophobicContact CD2-CG2 4.49Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.71Å; Y91-V134 HydrophobicContact CE2-CG2 4.3Å; Y91-A139 HydrophobicContact CE1-CB 4.13Å; Y91-A139 WeakPolarHBondContact OH-CB 3.37Å; Y91-F150 HydrophobicContact CE1-CE2 4.14Å
92D98.5Very high97.1Very high0 Ų031.3 Ų31.30%015%0.145CC..EExtended strand (participates in β ladder)trans-104120.8176.5178.3-13.8000109.1V22 T94 R95 T98 K125V22-D92 HydrophobicContact CB-CB 4.28Å; V22-D92 HydrophobicContact CG1-CB 4.12Å; D92-T94 VanDerWaalsContact CG-OG1 3.29Å; D92-T94 PolarHBondContact O-N 3.3Å; D92-T94 VanDerWaalsContact O-N 3.11Å; D92-T94 WeakPolarHBondContact OD1-CB 3.3Å; D92-T94 PolarHBondContact OD1-N 2.85Å; D92-T94 PolarHBondContact OD1-OG1 2.85Å; D92-T94 PolarHBondContact OD2-OG1 3.37Å; D92-R95 HydrophobicContact CB-CB 4.14Å; D92-R95 PolarHBondContact O-N 3.42Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; D92-T98 HydrophobicContact CB-CG2 4.43Å; D92-T98 PolarHBondContact N-OG1 2.92Å; D92-T98 PolarHBondContact O-OG1 2.85Å; D92-K125 WeakPolarHBondContact OD2-CD 3.23Å; D92-K125 WeakPolarHBondContact OD2-CE 3.37Å; D92-K125 IonicContact OD2-NZ 2.68Å; D92-K125 PolarHBondContact OD2-NZ 2.77Å
93I98.8Very high97.5Very high0 Ų026.9 Ų26.90%014%0.138CC..THydrogen-bonded Turntrans-62.5-20.4-176.867.9157.5000113.3Y91 N124 K125 R132 D133 V134Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.9Å; I93-N124 PolarHBondContact N-O 3.09Å; I93-N124 VanDerWaalsContact N-O 3.08Å; I93-K125 WeakPolarHBondContact CD1-O 3.38Å; I93-K125 WeakPolarHBondContact CG1-O 3.3Å; I93-R132 HydrophobicContact CD1-CB 4.48Å; I93-D133 PolarHBondContact O-N 2.82Å; I93-V134 PolarHBondContact O-N 2.79Å
94T98.6Very high97.8Very high27 Ų2728.5 Ų28.517%0.16615%0.148CC..THydrogen-bonded Turntrans-90.4-3.8179.769.90000113D92 L128 E131D92-T94 VanDerWaalsContact CG-OG1 3.29Å; D92-T94 PolarHBondContact O-N 3.3Å; D92-T94 VanDerWaalsContact O-N 3.11Å; D92-T94 WeakPolarHBondContact OD1-CB 3.3Å; D92-T94 PolarHBondContact OD1-N 2.85Å; D92-T94 PolarHBondContact OD1-OG1 2.85Å; D92-T94 PolarHBondContact OD2-OG1 3.37Å; T94-L128 HydrophobicContact CG2-CB 3.6Å; T94-L128 HydrophobicContact CG2-CD1 3.97Å; T94-L128 HydrophobicContact CG2-CG 4.44Å; T94-E131 WeakPolarHBondContact CA-O 3.47Å; T94-E131 WeakPolarHBondContact CB-O 3.27Å; T94-E131 HydrophobicContact CG2-CB 3.77Å
95R98.4Very high97.7Very high86 Ų8628.6 Ų28.633%0.32515%0.149SC..  trans-133.492.7-175-72.5174.347.5-159.7-6.1111.7M20 D92 T97 T98M20-R95 PolarHBondContact O-NH1 3.11Å; M20-R95 PolarHBondContact O-NH2 3.09Å; D92-R95 HydrophobicContact CB-CB 4.14Å; D92-R95 PolarHBondContact O-N 3.42Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; R95-T97 PolarHBondContact O-N 2.83Å; R95-T97 VanDerWaalsContact O-N 3.09Å; R95-T98 HydrophobicContact CB-CG2 3.92Å; R95-T98 VanDerWaalsContact CZ-CG2 3.44Å; R95-T98 WeakPolarHBondContact O-CB 3.34Å; R95-T98 PolarHBondContact O-N 3.43Å; R95-T98 PolarHBondContact O-OG1 3.34Å
96R98.6Very high97.7Very high77 Ų7728.8 Ų28.829%0.29115%0.149SC..Hα-helixtrans-54.4-29.8177.9178.7167.2-66.9-79.62.8115T98 Y99 N100 D133 V134 E138R96-T98 PolarHBondContact O-N 3.03Å; R96-Y99 WeakPolarHBondContact O-CB 3.49Å; R96-Y99 PolarHBondContact O-N 2.98Å; R96-Y99 VanDerWaalsContact O-N 3.16Å; R96-N100 VanDerWaalsContact O-CG 3.23Å; R96-N100 PolarHBondContact O-N 3.34Å; R96-N100 PolarHBondContact O-OD1 3.2Å; R96-D133 WeakPolarHBondContact CB-OD2 3.2Å; R96-D133 PolarHBondContact N-OD2 3.49Å; R96-D133 VanDerWaalsContact N-OD2 3.07Å; R96-D133 IonicContact NE-OD1 2.86Å; R96-D133 PolarHBondContact NE-OD1 3.35Å; R96-D133 PolarHBondContact NH2-O 3.15Å; R96-V134 HydrophobicContact CB-CG2 4.19Å; R96-E138 IonicContact CZ-OE1 2.75Å; R96-E138 IonicContact CZ-OE2 3.66Å; R96-E138 IonicContact NH1-OE1 3.29Å; R96-E138 PolarHBondContact NH1-OE1 3.17Å; R96-E138 IonicContact NH1-OE2 2.66Å; R96-E138 PolarHBondContact NH1-OE2 3.15Å; R96-E138 IonicContact NH2-OE1 3.44Å; R96-E138 PolarHBondContact NH2-OE1 3.44Å; R96-E138 IonicContact NH2-OE2 3.75Å
97T98.1Very high97.6Very high79 Ų7933 Ų3349%0.48518%0.175SC..Hα-helixtrans-58.7-36.1174.851.90000112.8R95 N100 H101R95-T97 PolarHBondContact O-N 2.83Å; R95-T97 VanDerWaalsContact O-N 3.09Å; T97-N100 PolarHBondContact O-N 2.94Å; T97-H101 PolarHBondContact O-N 2.91Å; T97-H101 PolarHBondContact O-ND1 2.97Å
98T97.8Very high97.4Very high1 Ų134 Ų341%0.00618%0.181CC..Hα-helixtrans-72-32.8178.869.50000112.2D19 V22 D92 R95 R96D19-T98 HydrophobicContact CB-CG2 3.88Å; V22-T98 HydrophobicContact CG1-CG2 3.74Å; D92-T98 HydrophobicContact CB-CG2 4.43Å; D92-T98 PolarHBondContact N-OG1 2.92Å; D92-T98 PolarHBondContact O-OG1 2.85Å; R95-T98 HydrophobicContact CB-CG2 3.92Å; R95-T98 VanDerWaalsContact CZ-CG2 3.44Å; R95-T98 WeakPolarHBondContact O-CB 3.34Å; R95-T98 PolarHBondContact O-N 3.43Å; R95-T98 PolarHBondContact O-OG1 3.34Å; R96-T98 PolarHBondContact O-N 3.03Å
99Y98.7Very high97.2Very high34 Ų3434 Ų3413%0.13318%0.18CC..Hα-helixtrans-67.8-45.5171.4171.9-99.6000111.5Y91 R96 H101 L102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD2-CD2 4.42Å; Y91-Y99 HydrophobicContact CE2-CD2 4.43Å; R96-Y99 WeakPolarHBondContact O-CB 3.49Å; R96-Y99 PolarHBondContact O-N 2.98Å; R96-Y99 VanDerWaalsContact O-N 3.16Å; Y99-H101 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact O-N 3.11Å; Y99-L102 HydrophobicContact CD2-CD1 3.43Å; Y99-L102 VanDerWaalsContact CD2-CD1 3.43Å; Y99-L102 HydrophobicContact CE2-CD1 3.88Å; Y99-L102 HydrophobicContact CG-CD1 4.24Å; Y99-L102 WeakPolarHBondContact O-CB 3.3Å; Y99-L102 WeakPolarHBondContact O-CG 2.86Å; Y99-L102 PolarHBondContact O-N 3.42Å; Y99-V134 HydrophobicContact CD1-CG1 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.73Å; Y99-V134 HydrophobicContact CE2-CG1 4.2Å; Y99-V134 HydrophobicContact CG-CG1 3.83Å; Y99-V134 HydrophobicContact CG-CG2 4.11Å; Y99-E138 PolarHBondContact OH-O 3Å; Y99-A139 HydrophobicContact CE2-CB 4.09Å; Y99-F142 HydrophobicContact CE2-CB 4.35Å
100N98.3Very high97.1Very high96 Ų9640.1 Ų40.151%0.51320%0.204SC..Hα-helixtrans-60-26.4178.5-66.9-12.3000113R96 T97R96-N100 VanDerWaalsContact O-CG 3.23Å; R96-N100 PolarHBondContact O-N 3.34Å; R96-N100 PolarHBondContact O-OD1 3.2Å; T97-N100 PolarHBondContact O-N 2.94Å
101H97.1Very high96.9Very high84 Ų8443.9 Ų43.939%0.38923%0.23SC..THydrogen-bonded Turntrans-83-7.1176.6-63.5155.6000114.3D19 T97 Y99 S103 S104 W105D19-H101 IonicContact OD1-CG 3.59Å; D19-H101 IonicContact OD1-ND1 3.59Å; D19-H101 IonicContact OD2-CE1 3.32Å; D19-H101 IonicContact OD2-CG 2.71Å; D19-H101 IonicContact OD2-ND1 3.76Å; D19-H101 PolarHBondContact OD2-ND1 3.2Å; T97-H101 PolarHBondContact O-N 2.91Å; T97-H101 PolarHBondContact O-ND1 2.97Å; Y99-H101 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact O-N 3.11Å; H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.17Å; H101-S104 WeakPolarHBondContact O-CB 3.46Å; H101-S104 PolarHBondContact O-N 2.68Å; H101-W105 VanDerWaalsContact O-CD1 3.23Å; H101-W105 PolarHBondContact O-N 3.29Å
102L97.6Very high96.6Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-56.9-38-178.5-72.9174.1000112.8M89 Y91 Y99 S104 W105 L106 L121 F142M89-L102 HydrophobicContact CE-CB 4.48Å; M89-L102 HydrophobicContact CE-CD2 4.05Å; M89-L102 HydrophobicContact CG-CD2 3.72Å; M89-L102 HydrophobicContact SD-CD2 4.04Å; Y91-L102 HydrophobicContact CD1-CD1 3.98Å; Y91-L102 HydrophobicContact CD1-CD2 4.43Å; Y91-L102 HydrophobicContact CG-CD1 4.25Å; Y99-L102 HydrophobicContact CD2-CD1 3.43Å; Y99-L102 VanDerWaalsContact CD2-CD1 3.43Å; Y99-L102 HydrophobicContact CE2-CD1 3.88Å; Y99-L102 HydrophobicContact CG-CD1 4.24Å; Y99-L102 WeakPolarHBondContact O-CB 3.3Å; Y99-L102 WeakPolarHBondContact O-CG 2.86Å; Y99-L102 PolarHBondContact O-N 3.42Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 3.38Å; L102-W105 PolarHBondContact O-N 2.91Å; L102-W105 VanDerWaalsContact O-N 3.14Å; L102-L106 VanDerWaalsContact O-CB 3.32Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 3.47Å; L102-L121 HydrophobicContact CD1-CD1 3.68Å; L102-L121 HydrophobicContact CD1-CD2 4.3Å; L102-L121 HydrophobicContact CD2-CD1 3.59Å; L102-L121 HydrophobicContact CG-CD1 4.28Å; L102-F142 HydrophobicContact CB-CE1 4Å; L102-F142 HydrophobicContact CB-CZ 3.84Å; L102-F142 HydrophobicContact CD1-CD1 4.39Å; L102-F142 HydrophobicContact CD1-CE1 4.28Å
103S97.2Very high96.3Very high67 Ų6747.4 Ų47.447%0.46925%0.249SC..Hα-helixtrans-60.3-36.4177.1-58.30000112.6H101 T107H101-S103 VanDerWaalsContact C-N 3.27Å; H101-S103 PolarHBondContact O-N 3.17Å; S103-T107 WeakPolarHBondContact O-CB 3.41Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.33Å
104S94.6Very high95.9Very high44 Ų4448.7 Ų48.731%0.30826%0.256SS..Hα-helixtrans-68-46.1174.4179.90000110.7R74 H101 L102 L106 T107 D108R74-S104 PolarHBondContact NH1-OG 3.19Å; H101-S104 WeakPolarHBondContact O-CB 3.46Å; H101-S104 PolarHBondContact O-N 2.68Å; L102-S104 VanDerWaalsContact C-N 3.27Å; L102-S104 PolarHBondContact O-N 3.38Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 2.86Å; S104-T107 PolarHBondContact O-N 2.98Å; S104-D108 PolarHBondContact O-N 2.99Å
105W94.8Very high95.6Very high2 Ų253.4 Ų53.41%0.00829%0.287CS..Hα-helixtrans-63.7-38.7179-71.2114.1000112.5I17 G18 D19 R74 M89 H101 L102 D108 A109I17-W105 HydrophobicContact CB-CE3 4.03Å; I17-W105 HydrophobicContact CB-CZ3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.39Å; G18-W105 VanDerWaalsContact C-CE2 3.5Å; G18-W105 VanDerWaalsContact C-CZ2 3.4Å; G18-W105 WeakPolarHBondContact O-CZ2 3.36Å; D19-W105 PolarHBondContact OD1-NE1 2.59Å; R74-W105 HydrophobicContact CG-CH2 4.49Å; M89-W105 HydrophobicContact CG-CB 4.16Å; M89-W105 HydrophobicContact SD-CB 3.7Å; H101-W105 VanDerWaalsContact O-CD1 3.23Å; H101-W105 PolarHBondContact O-N 3.29Å; L102-W105 PolarHBondContact O-N 2.91Å; L102-W105 VanDerWaalsContact O-N 3.14Å; W105-D108 PolarHBondContact O-N 3.33Å; W105-A109 WeakPolarHBondContact O-CB 3.36Å; W105-A109 PolarHBondContact O-N 3.06Å
106L96.6Very high95.3Very high6 Ų652.5 Ų52.53%0.03129%0.288CS..Hα-helixtrans-67.6-40.3176.9-179.659.7000111.8M89 L102 S104 A109 R110 I119 F142 N146 L148M89-L106 HydrophobicContact CE-CB 4.13Å; M89-L106 HydrophobicContact CE-CD1 4.42Å; M89-L106 HydrophobicContact SD-CB 4.01Å; L102-L106 VanDerWaalsContact O-CB 3.32Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 3.47Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 2.86Å; L106-A109 PolarHBondContact O-N 3.33Å; L106-R110 HydrophobicContact CD1-CG 4.13Å; L106-R110 PolarHBondContact O-N 2.83Å; L106-I119 HydrophobicContact CD1-CD1 3.83Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.45Å; L106-F142 HydrophobicContact CD2-CZ 4.11Å; L106-N146 HydrophobicContact CD2-CB 3.8Å; L106-N146 VanDerWaalsContact CD2-OD1 3.31Å; L106-N146 WeakPolarHBondContact CD2-OD1 3.4Å; L106-L148 HydrophobicContact CD1-CD1 4.29Å; L106-L148 HydrophobicContact CD1-CD2 3.83Å; L106-L148 HydrophobicContact CD2-CD1 4.36Å
107T95.8Very high95.1Very high90 Ų9049.5 Ų49.555%0.55228%0.278SS*.Hα-helixtrans-61.6-46.4175.3-60.10000110.9S103 S104 S111S103-T107 WeakPolarHBondContact O-CB 3.41Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.33Å; S104-T107 PolarHBondContact O-N 2.98Å; T107-S111 VanDerWaalsContact O-CB 3.3Å; T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 2.81Å; T107-S111 PolarHBondContact O-OG 2.97Å
108D93Very high95.1Very high21 Ų2146.2 Ų46.211%0.11226%0.258CS..Hα-helixtrans-62.2-43.8175.4-77.3-29.7000111.1Y81 S104 W105 S111 L112Y81-D108 HydrophobicContact CE1-CB 4.43Å; S104-D108 PolarHBondContact O-N 2.99Å; W105-D108 PolarHBondContact O-N 3.33Å; D108-S111 PolarHBondContact O-N 3.18Å; D108-S111 PolarHBondContact O-OG 3.47Å; D108-L112 HydrophobicContact CB-CD1 4.29Å; D108-L112 VanDerWaalsContact O-CB 3.23Å; D108-L112 WeakPolarHBondContact O-CB 3.49Å; D108-L112 VanDerWaalsContact O-CG 3.22Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 2.85Å
109A94.4Very high95.2Very high0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-58.7-55.6176.900000111.9I17 Y81 W105 L106 S111 L112 T113 I119I17-A109 HydrophobicContact CD1-CB 4.02Å; Y81-A109 HydrophobicContact CE1-CB 4Å; W105-A109 WeakPolarHBondContact O-CB 3.36Å; W105-A109 PolarHBondContact O-N 3.06Å; L106-A109 PolarHBondContact O-N 3.33Å; A109-S111 VanDerWaalsContact C-N 3.27Å; A109-S111 PolarHBondContact O-N 3.04Å; A109-L112 PolarHBondContact O-N 3.49Å; A109-T113 WeakPolarHBondContact O-CB 3.28Å; A109-T113 WeakPolarHBondContact O-CG2 3.45Å; A109-T113 PolarHBondContact O-N 3.16Å; A109-T113 PolarHBondContact O-OG1 3.44Å; A109-I119 HydrophobicContact CB-CD1 4.05Å
110R95.4Very high95.2Very high129 Ų12945.6 Ų45.649%0.48726%0.257SS..Hα-helixtrans-63.5-30.6-178.1-73.5-178.9172.8161.5-1.7113.7L106 I119 N146L106-R110 HydrophobicContact CD1-CG 4.13Å; L106-R110 PolarHBondContact O-N 2.83Å; R110-I119 HydrophobicContact CG-CD1 4.07Å; R110-N146 PolarHBondContact NH1-OD1 2.68Å; R110-N146 PolarHBondContact NH2-O 3.21Å
111S93.9Very high95.2Very high79 Ų7941 Ų4155%0.55223%0.232SC*.Hα-helixtrans-84.4-23.5-178.960.10000114T107 D108 A109T107-S111 VanDerWaalsContact O-CB 3.3Å; T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 2.81Å; T107-S111 PolarHBondContact O-OG 2.97Å; D108-S111 PolarHBondContact O-N 3.18Å; D108-S111 PolarHBondContact O-OG 3.47Å; A109-S111 VanDerWaalsContact C-N 3.27Å; A109-S111 PolarHBondContact O-N 3.04Å
112L92.3Very high95.3Very high57 Ų5737 Ų3730%0.29821%0.214SC..Hα-helixtrans-112.7-10.8-172.6-57.4173.2000114R78 Y81 D108 A109R78-L112 HydrophobicContact CB-CD1 4.14Å; R78-L112 HydrophobicContact CG-CD1 3.66Å; Y81-L112 VanDerWaalsContact CB-CB 3.46Å; Y81-L112 HydrophobicContact CD1-CB 4.14Å; Y81-L112 HydrophobicContact CD2-CB 4.42Å; Y81-L112 HydrophobicContact CD2-CD1 3.86Å; Y81-L112 HydrophobicContact CE2-CD1 4.17Å; Y81-L112 HydrophobicContact CG-CB 3.79Å; Y81-L112 HydrophobicContact CG-CD1 4.05Å; D108-L112 HydrophobicContact CB-CD1 4.29Å; D108-L112 VanDerWaalsContact O-CB 3.23Å; D108-L112 WeakPolarHBondContact O-CB 3.49Å; D108-L112 VanDerWaalsContact O-CG 3.22Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 2.85Å; A109-L112 PolarHBondContact O-N 3.49Å
113T92.6Very high95.3Very high16 Ų1637 Ų3710%0.09821%0.214CC..SBendtrans-105.6171.917471.70000112.4I15 Y81 A84 A109 T117I15-T113 HydrophobicContact CD1-CG2 4.35Å; Y81-T113 HydrophobicContact CD1-CG2 3.75Å; Y81-T113 HydrophobicContact CG-CG2 4.4Å; Y81-T113 WeakPolarHBondContact O-CG2 3.4Å; A84-T113 HydrophobicContact CB-CG2 4.21Å; A109-T113 WeakPolarHBondContact O-CB 3.28Å; A109-T113 WeakPolarHBondContact O-CG2 3.45Å; A109-T113 PolarHBondContact O-N 3.16Å; A109-T113 PolarHBondContact O-OG1 3.44Å; T113-T117 WeakPolarHBondContact CB-OG1 3.35Å; T113-T117 HydrophobicContact CG2-CG2 4.26Å; T113-T117 WeakPolarHBondContact OG1-CB 3.46Å; T113-T117 PolarHBondContact OG1-OG1 2.88Å; T113-T117 VanDerWaalsContact OG1-OG1 3.1Å
114N90.6Very high95.4Very high28 Ų2834 Ų3415%0.1519%0.192CC..  trans-63.4144.3171.3-173.2-68.6000110.3N116 T117N114-N116 PolarHBondContact O-N 2.73Å; N114-N116 VanDerWaalsContact O-N 3.1Å; N114-N116 WeakPolarHBondContact OD1-CB 3.19Å; N114-N116 PolarHBondContact OD1-N 3.43Å; N114-T117 PolarHBondContact N-OG1 3.42Å; N114-T117 WeakPolarHBondContact O-CB 3.24Å; N114-T117 PolarHBondContact O-N 3.05Å; N114-T117 PolarHBondContact O-OG1 3.21Å
115P91.4Very high95.6Very high125 Ų12534.3 Ų34.381%0.81219%0.188SC*.THydrogen-bonded Turntrans-54.5-27.3175.5-28.736000115.1T117P115-T117 VanDerWaalsContact C-N 3.3Å
116N92.1Very high95.7Very high67 Ų6735.2 Ų35.236%0.35820%0.195SC..THydrogen-bonded Turntrans-86.54.4178.2-65.8-42.2000113.9N114 V118 S180 L181N114-N116 PolarHBondContact O-N 2.73Å; N114-N116 VanDerWaalsContact O-N 3.1Å; N114-N116 WeakPolarHBondContact OD1-CB 3.19Å; N114-N116 PolarHBondContact OD1-N 3.43Å; N116-V118 PolarHBondContact O-N 2.72Å; N116-S180 PolarHBondContact ND2-O 3.23Å; N116-L181 HydrophobicContact CB-CD1 3.69Å
117T95.7Very high95.8Very high14 Ų1437.5 Ų37.59%0.08621%0.207CC..PPolyproline II helixtrans-62.3127178.3-57.20000109.7A84 A87 T113 N114 P115 I119A84-T117 PolarHBondContact O-OG1 3.06Å; A84-T117 VanDerWaalsContact O-OG1 3.05Å; A87-T117 HydrophobicContact CB-CG2 4.25Å; T113-T117 WeakPolarHBondContact CB-OG1 3.35Å; T113-T117 HydrophobicContact CG2-CG2 4.26Å; T113-T117 WeakPolarHBondContact OG1-CB 3.46Å; T113-T117 PolarHBondContact OG1-OG1 2.88Å; T113-T117 VanDerWaalsContact OG1-OG1 3.1Å; N114-T117 PolarHBondContact N-OG1 3.42Å; N114-T117 WeakPolarHBondContact O-CB 3.24Å; N114-T117 PolarHBondContact O-N 3.05Å; N114-T117 PolarHBondContact O-OG1 3.21Å; P115-T117 VanDerWaalsContact C-N 3.3Å; T117-I119 PolarHBondContact O-N 3.23Å
118V98Very high95.9Very high10 Ų1035.4 Ų35.46%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-77.9118.4175.7176.70000108.8A85 G86 A87 N116 L149 T168 K171 I172A85-V118 PolarHBondContact O-N 2.86Å; G86-V118 CarbonylContact C-O 3.58Å; G86-V118 VanDerWaalsContact CA-O 3.28Å; G86-V118 WeakPolarHBondContact CA-O 3.36Å; A87-V118 PolarHBondContact N-O 3.01Å; N116-V118 PolarHBondContact O-N 2.72Å; V118-L149 HydrophobicContact CG1-CD1 3.75Å; V118-T168 HydrophobicContact CB-CG2 4.25Å; V118-T168 HydrophobicContact CG1-CG2 4.01Å; V118-K171 HydrophobicContact CG1-CB 4.03Å; V118-K171 HydrophobicContact CG1-CG 3.93Å; V118-K171 HydrophobicContact CG2-CB 4.14Å; V118-K171 HydrophobicContact CG2-CG 3.71Å; V118-I172 HydrophobicContact CB-CD1 4.47Å; V118-I172 HydrophobicContact CB-CG1 3.87Å; V118-I172 HydrophobicContact CG2-CB 4.48Å; V118-I172 HydrophobicContact CG2-CG1 3.51Å
119I98.4Very high96.2Very high17 Ų1739.4 Ų39.49%0.08721%0.21CC..EExtended strand (participates in β ladder)trans-103.1126.7177.6-52.3179.1000109A87 L106 A109 R110 T117 L148 L149A87-I119 HydrophobicContact CB-CG1 4.31Å; A87-I119 WeakPolarHBondContact O-CA 3.47Å; L106-I119 HydrophobicContact CD1-CD1 3.83Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; A109-I119 HydrophobicContact CB-CD1 4.05Å; R110-I119 HydrophobicContact CG-CD1 4.07Å; T117-I119 PolarHBondContact O-N 3.23Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.49Å; I119-L148 HydrophobicContact CG2-CD2 3.88Å; I119-L149 PolarHBondContact O-N 3.14Å; I119-L149 VanDerWaalsContact O-N 3.15Å
120F98.8Very high96.3Very high5 Ų549.7 Ų49.72%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-117.6116.7178.8-154.5-55.9000109A87 L88 M89 I122 L149 M151 V164 E167 T168A87-F120 PolarHBondContact O-N 3.48Å; L88-F120 HydrophobicContact CD2-CB 3.82Å; M89-F120 PolarHBondContact N-O 3.18Å; F120-I122 HydrophobicContact CD1-CG1 3.81Å; F120-I122 HydrophobicContact CE1-CG1 4.36Å; F120-L149 HydrophobicContact CB-CB 4.24Å; F120-L149 HydrophobicContact CD1-CB 4.09Å; F120-L149 HydrophobicContact CD2-CB 3.37Å; F120-L149 HydrophobicContact CD2-CD1 3.5Å; F120-L149 HydrophobicContact CD2-CG 4.08Å; F120-L149 HydrophobicContact CE1-CB 4.25Å; F120-L149 HydrophobicContact CE2-CB 3.58Å; F120-L149 HydrophobicContact CE2-CD1 3.82Å; F120-L149 HydrophobicContact CE2-CG 4.31Å; F120-L149 HydrophobicContact CG-CB 3.64Å; F120-L149 HydrophobicContact CG-CD1 4.42Å; F120-L149 HydrophobicContact CZ-CB 4.01Å; F120-M151 HydrophobicContact CE1-CB 3.57Å; F120-M151 HydrophobicContact CZ-CB 3.78Å; F120-V164 HydrophobicContact CD1-CG1 4.33Å; F120-V164 HydrophobicContact CE1-CB 4.31Å; F120-V164 HydrophobicContact CE1-CG1 3.73Å; F120-V164 HydrophobicContact CZ-CB 4.31Å; F120-V164 HydrophobicContact CZ-CG1 3.88Å; F120-E167 HydrophobicContact CE2-CB 3.8Å; F120-T168 VanDerWaalsContact CD2-OG1 3.3Å; F120-T168 WeakPolarHBondContact CD2-OG1 3.44Å
121L98.9Very high96.5Very high0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-82.6127172.3177.562.3000110.3M89 Y91 L102 F142 A143 L148 L149 F150 M151M89-L121 HydrophobicContact CE-CD1 3.89Å; M89-L121 HydrophobicContact CG-CD1 4.44Å; M89-L121 CarbonylContact O-C 3.42Å; M89-L121 WeakPolarHBondContact O-CA 3.27Å; Y91-L121 HydrophobicContact CD1-CD1 3.76Å; Y91-L121 HydrophobicContact CD1-CG 4.4Å; Y91-L121 HydrophobicContact CE1-CD1 4.05Å; Y91-L121 HydrophobicContact CE1-CG 4.19Å; L102-L121 HydrophobicContact CD1-CD1 3.68Å; L102-L121 HydrophobicContact CD1-CD2 4.3Å; L102-L121 HydrophobicContact CD2-CD1 3.59Å; L102-L121 HydrophobicContact CG-CD1 4.28Å; L121-F142 HydrophobicContact CD2-CD1 3.76Å; L121-F142 HydrophobicContact CD2-CE1 4.33Å; L121-A143 HydrophobicContact CD2-CB 4.03Å; L121-L148 HydrophobicContact CB-CD1 4.25Å; L121-L149 PolarHBondContact N-O 2.77Å; L121-F150 HydrophobicContact CB-CD2 3.99Å; L121-F150 HydrophobicContact CD2-CD2 3.74Å; L121-F150 HydrophobicContact CD2-CE2 4.07Å; L121-F150 HydrophobicContact CG-CD2 3.71Å; L121-F150 HydrophobicContact CG-CE2 4.1Å; L121-F150 WeakPolarHBondContact O-CA 3.36Å; L121-F150 WeakPolarHBondContact O-CD2 3.12Å; L121-M151 PolarHBondContact O-N 3.29Å
122I98.9Very high96.7Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-122.5117.5-176.7-55.9175000109.6L27 L88 M89 V90 Y91 F120 N124 M151 C153 V164L27-I122 HydrophobicContact CD1-CG2 4.26Å; L88-I122 HydrophobicContact CB-CD1 3.98Å; L88-I122 HydrophobicContact CD1-CD1 4.46Å; L88-I122 HydrophobicContact CD2-CD1 4.31Å; L88-I122 HydrophobicContact CG-CD1 4.47Å; M89-I122 PolarHBondContact O-N 3.35Å; V90-I122 WeakPolarHBondContact CA-O 3.35Å; V90-I122 HydrophobicContact CG1-CB 4.48Å; V90-I122 HydrophobicContact CG2-CB 4.33Å; V90-I122 HydrophobicContact CG2-CD1 4.41Å; Y91-I122 VanDerWaalsContact CD1-O 3.28Å; Y91-I122 WeakPolarHBondContact CD1-O 3.42Å; Y91-I122 PolarHBondContact N-O 2.85Å; F120-I122 HydrophobicContact CD1-CG1 3.81Å; F120-I122 HydrophobicContact CE1-CG1 4.36Å; I122-N124 PolarHBondContact O-N 2.81Å; I122-M151 WeakPolarHBondContact CA-O 3.48Å; I122-C153 HydrophobicContact CG2-CB 4.1Å; I122-V164 HydrophobicContact CD1-CB 3.99Å; I122-V164 HydrophobicContact CD1-CG1 4.22Å; I122-V164 HydrophobicContact CD1-CG2 3.96Å; I122-V164 HydrophobicContact CG1-CB 4.45Å; I122-V164 HydrophobicContact CG1-CG1 4.2Å
123G98.8Very high97Very high0 Ų049.3 Ų49.30%025%0.248CC..EExtended strand (participates in β ladder)trans-85.6101.416600000110.2M151 E152 C153G123-M151 PolarHBondContact N-O 2.61Å; G123-M151 VanDerWaalsContact N-O 3.09Å; G123-E152 CarbonylContact O-C 3.46Å; G123-E152 WeakPolarHBondContact O-CA 3.41Å; G123-E152 WeakPolarHBondContact O-CB 3.37Å; G123-C153 PolarHBondContact O-N 2.97Å
124N98.7Very high97.3Very high3 Ų348.5 Ų48.52%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-90.5161.6-177.6-169.837.8000112.1V22 L27 V90 Y91 I93 I122 C153 A155V22-N124 PolarHBondContact O-ND2 3.36Å; L27-N124 HydrophobicContact CD1-CB 4.49Å; V90-N124 HydrophobicContact CG1-CB 3.78Å; Y91-N124 PolarHBondContact O-N 3.33Å; I93-N124 PolarHBondContact N-O 3.09Å; I93-N124 VanDerWaalsContact N-O 3.08Å; I122-N124 PolarHBondContact O-N 2.81Å; N124-C153 CarbonylContact C-O 3.53Å; N124-C153 VanDerWaalsContact CA-O 3.32Å; N124-C153 WeakPolarHBondContact CA-O 3.47Å; N124-C153 PolarHBondContact OD1-O 3.5Å; N124-A155 PolarHBondContact OD1-N 3.32Å; N124-A155 VanDerWaalsContact OD1-N 3.11Å
125K98.1Very high97.7Very high51 Ų5150 Ų5022%0.22225%0.254CS..  trans73.436-177.6-46.5-171.5-169.8170.80113.6G21 D92 I93 D127 L128 C153G21-K125 PolarHBondContact O-NZ 2.76Å; D92-K125 WeakPolarHBondContact OD2-CD 3.23Å; D92-K125 WeakPolarHBondContact OD2-CE 3.37Å; D92-K125 IonicContact OD2-NZ 2.68Å; D92-K125 PolarHBondContact OD2-NZ 2.77Å; I93-K125 WeakPolarHBondContact CD1-O 3.38Å; I93-K125 WeakPolarHBondContact CG1-O 3.3Å; K125-D127 PolarHBondContact O-N 2.96Å; K125-L128 HydrophobicContact CB-CD1 4.09Å; K125-L128 HydrophobicContact CB-CG 4.29Å; K125-L128 HydrophobicContact CD-CD1 4.01Å; K125-L128 WeakPolarHBondContact O-CB 3.36Å; K125-L128 PolarHBondContact O-N 3.37Å; K125-C153 PolarHBondContact N-O 2.81Å
126S98.4Very high98Very high21 Ų2149 Ų4915%0.14724%0.235CC..G310 helixtrans-57.4-17.7172.962.70000114L128 C153 S154S126-L128 PolarHBondContact O-N 2.55Å; S126-C153 PolarHBondContact N-O 2.78Å; S126-C153 PolarHBondContact OG-O 3.26Å; S126-S154 WeakPolarHBondContact OG-CB 3.5Å; S126-S154 PolarHBondContact OG-N 2.75Å
127D98.1Very high98.3Very high55 Ų5552 Ų5229%0.29425%0.247SC..G310 helixtrans-67.2-16171.162-76.9000114K125 S154 K156 T157K125-D127 PolarHBondContact O-N 2.96Å; D127-S154 WeakPolarHBondContact CB-OG 3.21Å; D127-S154 VanDerWaalsContact CG-OG 3.27Å; D127-S154 WeakPolarHBondContact OD1-CB 3.21Å; D127-S154 PolarHBondContact OD1-OG 3.22Å; D127-K156 WeakPolarHBondContact OD2-CD 3.38Å; D127-K156 IonicContact OD2-NZ 3.85Å; D127-T157 HydrophobicContact CB-CG2 4.01Å
128L98Very high98.4Very high45 Ų4553.3 Ų53.324%0.23625%0.252CS..G310 helixtrans-99.239.3179.1-57.2-177.5000112.3T94 K125 S126 K130 E131 R132T94-L128 HydrophobicContact CG2-CB 3.6Å; T94-L128 HydrophobicContact CG2-CD1 3.97Å; T94-L128 HydrophobicContact CG2-CG 4.44Å; K125-L128 HydrophobicContact CB-CD1 4.09Å; K125-L128 HydrophobicContact CB-CG 4.29Å; K125-L128 HydrophobicContact CD-CD1 4.01Å; K125-L128 WeakPolarHBondContact O-CB 3.36Å; K125-L128 PolarHBondContact O-N 3.37Å; S126-L128 PolarHBondContact O-N 2.55Å; L128-K130 PolarHBondContact O-N 3.48Å; L128-E131 HydrophobicContact CB-CB 4.41Å; L128-E131 WeakPolarHBondContact O-CA 3.35Å; L128-E131 PolarHBondContact O-N 2.87Å; L128-R132 PolarHBondContact O-N 2.93Å
129E97.9Very high98.5Very high105 Ų10552.9 Ų52.949%0.49125%0.249SC..G310 helixtrans-51.7-34.7-176.1-172.257.1-146.700114E131 R132E129-E131 PolarHBondContact O-N 3.15Å; E129-R132 VanDerWaalsContact CD-NE 3.31Å; E129-R132 VanDerWaalsContact O-CB 3.27Å; E129-R132 WeakPolarHBondContact O-CB 3.4Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-R132 IonicContact OE1-CZ 3.47Å; E129-R132 IonicContact OE1-NE 3.64Å; E129-R132 PolarHBondContact OE1-NE 2.86Å; E129-R132 IonicContact OE1-NH2 2.61Å; E129-R132 IonicContact OE2-CZ 3.81Å; E129-R132 VanDerWaalsContact OE2-CZ 3.32Å; E129-R132 IonicContact OE2-NE 2.62Å; E129-R132 PolarHBondContact OE2-NE 2.82Å; E129-R132 VanDerWaalsContact OE2-NE 3.08Å; E129-R132 IonicContact OE2-NH2 2.77Å; E129-R132 PolarHBondContact OE2-NH2 2.88Å
130K98.2Very high98.5Very high216 Ų21655.2 Ų55.294%0.93926%0.258SS*.G310 helixtrans-68.8-18.8178.5-65.6-179.2-179.9178.10114L128L128-K130 PolarHBondContact O-N 3.48Å
131E98.3Very high98.5Very high124 Ų12460.4 Ų60.458%0.57928%0.283SS*.G310 helixtrans-106.59.1-179.8-62.2174.6-131.400111.4T94 L128 E129 D133T94-E131 WeakPolarHBondContact CA-O 3.47Å; T94-E131 WeakPolarHBondContact CB-O 3.27Å; T94-E131 HydrophobicContact CG2-CB 3.77Å; L128-E131 HydrophobicContact CB-CB 4.41Å; L128-E131 WeakPolarHBondContact O-CA 3.35Å; L128-E131 PolarHBondContact O-N 2.87Å; E129-E131 PolarHBondContact O-N 3.15Å; E131-D133 PolarHBondContact O-N 2.87Å
132R98.7Very high98.5Very high59 Ų5961.5 Ų61.522%0.22329%0.288CS..  trans-57.5124.2-179.8179.6-179-69.7-82.63.2110.8I93 L128 E129 V134 E152I93-R132 HydrophobicContact CD1-CB 4.48Å; L128-R132 PolarHBondContact O-N 2.93Å; E129-R132 VanDerWaalsContact CD-NE 3.31Å; E129-R132 VanDerWaalsContact O-CB 3.27Å; E129-R132 WeakPolarHBondContact O-CB 3.4Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-R132 IonicContact OE1-CZ 3.47Å; E129-R132 IonicContact OE1-NE 3.64Å; E129-R132 PolarHBondContact OE1-NE 2.86Å; E129-R132 IonicContact OE1-NH2 2.61Å; E129-R132 IonicContact OE2-CZ 3.81Å; E129-R132 VanDerWaalsContact OE2-CZ 3.32Å; E129-R132 IonicContact OE2-NE 2.62Å; E129-R132 PolarHBondContact OE2-NE 2.82Å; E129-R132 VanDerWaalsContact OE2-NE 3.08Å; E129-R132 IonicContact OE2-NH2 2.77Å; E129-R132 PolarHBondContact OE2-NH2 2.88Å; R132-V134 WeakPolarHBondContact CD-O 3.31Å; R132-V134 WeakPolarHBondContact CG-O 3.32Å; R132-V134 PolarHBondContact NH1-O 2.87Å; R132-E152 IonicContact CZ-OE1 2.78Å; R132-E152 IonicContact CZ-OE2 3.49Å; R132-E152 IonicContact NH1-OE1 3.08Å; R132-E152 PolarHBondContact NH1-OE1 3.06Å; R132-E152 IonicContact NH1-OE2 2.73Å; R132-E152 PolarHBondContact NH1-OE2 3.39Å; R132-E152 IonicContact NH2-OE1 3.41Å; R132-E152 IonicContact NH2-OE2 3.53Å; R132-E152 PolarHBondContact NH2-OE2 3.04Å
133D98.6Very high98.5Very high74 Ų7461.5 Ų61.540%0.39629%0.288SS..  trans-109.3-29173.5-174.110.8000110.3I93 R96 E131I93-D133 PolarHBondContact O-N 2.82Å; R96-D133 WeakPolarHBondContact CB-OD2 3.2Å; R96-D133 PolarHBondContact N-OD2 3.49Å; R96-D133 VanDerWaalsContact N-OD2 3.07Å; R96-D133 IonicContact NE-OD1 2.86Å; R96-D133 PolarHBondContact NE-OD1 3.35Å; R96-D133 PolarHBondContact NH2-O 3.15Å; E131-D133 PolarHBondContact O-N 2.87Å
134V98.6Very high98.5Very high0 Ų065.9 Ų65.90%031%0.311CS..SBendtrans-106.1123.1178-175.40000110.2Y91 I93 R96 Y99 R132 E138 A139Y91-V134 HydrophobicContact CD2-CG1 4.49Å; Y91-V134 HydrophobicContact CD2-CG2 4.49Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.71Å; Y91-V134 HydrophobicContact CE2-CG2 4.3Å; I93-V134 PolarHBondContact O-N 2.79Å; R96-V134 HydrophobicContact CB-CG2 4.19Å; Y99-V134 HydrophobicContact CD1-CG1 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.73Å; Y99-V134 HydrophobicContact CE2-CG1 4.2Å; Y99-V134 HydrophobicContact CG-CG1 3.83Å; Y99-V134 HydrophobicContact CG-CG2 4.11Å; R132-V134 WeakPolarHBondContact CD-O 3.31Å; R132-V134 WeakPolarHBondContact CG-O 3.32Å; R132-V134 PolarHBondContact NH1-O 2.87Å; V134-E138 VanDerWaalsContact CA-OE1 3.27Å; V134-E138 WeakPolarHBondContact CA-OE1 3.39Å; V134-E138 HydrophobicContact CG1-CG 3.73Å; V134-A139 HydrophobicContact CG1-CB 4.3Å
135T98.5Very high98.5Very high59 Ų5972 Ų7236%0.36234%0.34SS..  trans-72.9154.1179.776.10000111.6E137 E138 A139T135-E137 PolarHBondContact O-N 2.85Å; T135-E138 PolarHBondContact N-OE1 3.36Å; T135-E138 WeakPolarHBondContact O-CG 3.39Å; T135-E138 WeakPolarHBondContact OG1-CG 3.3Å; T135-E138 PolarHBondContact OG1-N 2.9Å; T135-E138 VanDerWaalsContact OG1-N 3.14Å; T135-A139 PolarHBondContact O-N 3.13Å
136Y98.6Very high98.5Very high104 Ų10471.5 Ų71.541%0.40834%0.339SS..Hα-helixtrans-60.9-41.3174.5178.3-87.2000110.3A139 K140 F150 E152Y136-A139 PolarHBondContact O-N 2.69Å; Y136-K140 HydrophobicContact CD1-CB 4.32Å; Y136-K140 HydrophobicContact CE1-CB 4.07Å; Y136-K140 HydrophobicContact CE1-CG 4.26Å; Y136-K140 WeakPolarHBondContact O-CB 3.39Å; Y136-K140 PolarHBondContact O-N 3.14Å; Y136-F150 AromaticContact CD2-CE1 3.8Å; Y136-F150 HydrophobicContact CD2-CE1 3.8Å; Y136-F150 HydrophobicContact CD2-CZ 4.31Å; Y136-F150 HydrophobicContact CE1-CE1 4.29Å; Y136-F150 HydrophobicContact CE2-CD1 4.21Å; Y136-F150 AromaticContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CE1 3.47Å; Y136-F150 VanDerWaalsContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CZ 4.32Å; Y136-F150 HydrophobicContact CG-CE1 4.33Å; Y136-F150 AromaticContact CZ-CE1 3.74Å; Y136-E152 HydrophobicContact CD2-CG 3.92Å; Y136-E152 HydrophobicContact CE2-CG 4.31Å
137E98.6Very high98.4Very high131 Ų13174 Ų7461%0.61237%0.368SS*.Hα-helixtrans-65.3-43.3-175.7-63.771.3-155.400112.3T135 K140 Q141T135-E137 PolarHBondContact O-N 2.85Å; E137-K140 PolarHBondContact O-N 3.03Å; E137-Q141 VanDerWaalsContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CB 3.09Å; E137-Q141 PolarHBondContact O-N 3.31Å
138E98.4Very high98.5Very high41 Ų4172 Ų7219%0.19236%0.358CS..Hα-helixtrans-67.4-39.9-179.573.7-177.9127.100111.3R96 Y99 V134 T135 Q141 F142R96-E138 IonicContact CZ-OE1 2.75Å; R96-E138 IonicContact CZ-OE2 3.66Å; R96-E138 IonicContact NH1-OE1 3.29Å; R96-E138 PolarHBondContact NH1-OE1 3.17Å; R96-E138 IonicContact NH1-OE2 2.66Å; R96-E138 PolarHBondContact NH1-OE2 3.15Å; R96-E138 IonicContact NH2-OE1 3.44Å; R96-E138 PolarHBondContact NH2-OE1 3.44Å; R96-E138 IonicContact NH2-OE2 3.75Å; Y99-E138 PolarHBondContact OH-O 3Å; V134-E138 VanDerWaalsContact CA-OE1 3.27Å; V134-E138 WeakPolarHBondContact CA-OE1 3.39Å; V134-E138 HydrophobicContact CG1-CG 3.73Å; T135-E138 PolarHBondContact N-OE1 3.36Å; T135-E138 WeakPolarHBondContact O-CG 3.39Å; T135-E138 WeakPolarHBondContact OG1-CG 3.3Å; T135-E138 PolarHBondContact OG1-N 2.9Å; T135-E138 VanDerWaalsContact OG1-N 3.14Å; E138-Q141 PolarHBondContact O-N 3.25Å; E138-F142 PolarHBondContact O-N 2.8Å
139A98.7Very high98.5Very high0 Ų072.8 Ų72.80%036%0.362CS..Hα-helixtrans-71.6-37.4177.500000112.5Y91 Y99 V134 T135 Y136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.13Å; Y91-A139 WeakPolarHBondContact OH-CB 3.37Å; Y99-A139 HydrophobicContact CE2-CB 4.09Å; V134-A139 HydrophobicContact CG1-CB 4.3Å; T135-A139 PolarHBondContact O-N 3.13Å; Y136-A139 PolarHBondContact O-N 2.69Å; A139-F142 PolarHBondContact O-N 3.2Å; A139-A143 PolarHBondContact O-N 3.15Å; A139-F150 HydrophobicContact CB-CE2 3.69Å; A139-F150 HydrophobicContact CB-CZ 3.59Å
140K98.8Very high98.5Very high66 Ų6668.8 Ų68.829%0.28734%0.343SS..Hα-helixtrans-62.8-45.1172.917860.1-176.7145.40111.2Y136 E137 A143 D144 F150Y136-K140 HydrophobicContact CD1-CB 4.32Å; Y136-K140 HydrophobicContact CE1-CB 4.07Å; Y136-K140 HydrophobicContact CE1-CG 4.26Å; Y136-K140 WeakPolarHBondContact O-CB 3.39Å; Y136-K140 PolarHBondContact O-N 3.14Å; E137-K140 PolarHBondContact O-N 3.03Å; K140-A143 WeakPolarHBondContact O-CB 3.35Å; K140-A143 PolarHBondContact O-N 3.37Å; K140-D144 WeakPolarHBondContact CE-OD1 3.28Å; K140-D144 WeakPolarHBondContact CE-OD2 3.3Å; K140-D144 VanDerWaalsContact NZ-CG 3.33Å; K140-D144 IonicContact NZ-OD1 3.63Å; K140-D144 PolarHBondContact NZ-OD1 2.86Å; K140-D144 IonicContact NZ-OD2 3.23Å; K140-D144 PolarHBondContact NZ-OD2 2.68Å; K140-D144 PolarHBondContact O-N 3.48Å; K140-F150 HydrophobicContact CB-CD1 3.87Å; K140-F150 HydrophobicContact CB-CE1 3.8Å; K140-F150 HydrophobicContact CD-CB 4.29Å; K140-F150 HydrophobicContact CD-CD1 3.61Å; K140-F150 HydrophobicContact CD-CE1 4.36Å; K140-F150 HydrophobicContact CD-CG 4.29Å; K140-F150 HydrophobicContact CG-CD1 4.33Å
141Q98.7Very high98.5Very high115 Ų11560.7 Ų60.754%0.53731%0.308SS..Hα-helixtrans-59.7-47.5175.8-179.6179.6-8.200111.1E137 E138 A143 D144 E145E137-Q141 VanDerWaalsContact O-CB 3.28Å; E137-Q141 WeakPolarHBondContact O-CB 3.09Å; E137-Q141 PolarHBondContact O-N 3.31Å; E138-Q141 PolarHBondContact O-N 3.25Å; Q141-A143 VanDerWaalsContact C-N 3.27Å; Q141-A143 PolarHBondContact O-N 3.33Å; Q141-D144 PolarHBondContact O-N 2.93Å; Q141-E145 HydrophobicContact CG-CG 4.33Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.44Å; Q141-E145 PolarHBondContact NE2-OE1 3.15Å; Q141-E145 WeakPolarHBondContact O-CB 3.49Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.43Å
142F98.8Very high98.6Very high23 Ų2355.7 Ų55.710%0.10129%0.285CS..Hα-helixtrans-56.8-41.9176175.3-86.7000112.1M89 Y99 L102 L106 L121 E138 A139 N146 L148M89-F142 HydrophobicContact CE-CE1 4.09Å; Y99-F142 HydrophobicContact CE2-CB 4.35Å; L102-F142 HydrophobicContact CB-CE1 4Å; L102-F142 HydrophobicContact CB-CZ 3.84Å; L102-F142 HydrophobicContact CD1-CD1 4.39Å; L102-F142 HydrophobicContact CD1-CE1 4.28Å; L106-F142 HydrophobicContact CD2-CE1 4.45Å; L106-F142 HydrophobicContact CD2-CZ 4.11Å; L121-F142 HydrophobicContact CD2-CD1 3.76Å; L121-F142 HydrophobicContact CD2-CE1 4.33Å; E138-F142 PolarHBondContact O-N 2.8Å; A139-F142 PolarHBondContact O-N 3.2Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 2.76Å; F142-N146 PolarHBondContact O-ND2 2.89Å; F142-L148 HydrophobicContact CD1-CD1 4.46Å; F142-L148 HydrophobicContact CE1-CD1 4.04Å
143A98.8Very high98.5Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-64.3-46.1176.600000112.3L121 A139 K140 Q141 N146 G147 L148 F150L121-A143 HydrophobicContact CD2-CB 4.03Å; A139-A143 PolarHBondContact O-N 3.15Å; K140-A143 WeakPolarHBondContact O-CB 3.35Å; K140-A143 PolarHBondContact O-N 3.37Å; Q141-A143 VanDerWaalsContact C-N 3.27Å; Q141-A143 PolarHBondContact O-N 3.33Å; A143-N146 CarbonylContact O-C 3.54Å; A143-N146 PolarHBondContact O-N 3.3Å; A143-N146 VanDerWaalsContact O-N 3.15Å; A143-G147 PolarHBondContact O-N 3.4Å; A143-L148 HydrophobicContact CB-CB 4.06Å; A143-L148 PolarHBondContact O-N 3.23Å; A143-F150 HydrophobicContact CB-CB 3.6Å; A143-F150 HydrophobicContact CB-CD2 4.37Å; A143-F150 HydrophobicContact CB-CG 4.13Å
144D98.6Very high98.5Very high91 Ų9149.4 Ų49.449%0.48726%0.256SS..Hα-helixtrans-64.5-45-178.8-71.4-23.6000111.8K140 Q141 N146 G147K140-D144 WeakPolarHBondContact CE-OD1 3.28Å; K140-D144 WeakPolarHBondContact CE-OD2 3.3Å; K140-D144 VanDerWaalsContact NZ-CG 3.33Å; K140-D144 IonicContact NZ-OD1 3.63Å; K140-D144 PolarHBondContact NZ-OD1 2.86Å; K140-D144 IonicContact NZ-OD2 3.23Å; K140-D144 PolarHBondContact NZ-OD2 2.68Å; K140-D144 PolarHBondContact O-N 3.48Å; Q141-D144 PolarHBondContact O-N 2.93Å; D144-N146 PolarHBondContact O-N 3.43Å; D144-G147 PolarHBondContact O-N 3.19Å; D144-G147 VanDerWaalsContact O-N 3.13Å
145E98.4Very high98.5Very high133 Ų13349.5 Ų49.562%0.62126%0.257SS*.Hα-helixtrans-60.1-26.1175.1-72.7177.1-178.200112.6Q141Q141-E145 HydrophobicContact CG-CG 4.33Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.44Å; Q141-E145 PolarHBondContact NE2-OE1 3.15Å; Q141-E145 WeakPolarHBondContact O-CB 3.49Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.43Å
146N98.2Very high98.4Very high40 Ų4052.2 Ų52.221%0.21426%0.263CS..THydrogen-bonded Turntrans-105.56.6179.7-73.4-78.6000114L106 R110 F142 A143 D144 L148L106-N146 HydrophobicContact CD2-CB 3.8Å; L106-N146 VanDerWaalsContact CD2-OD1 3.31Å; L106-N146 WeakPolarHBondContact CD2-OD1 3.4Å; R110-N146 PolarHBondContact NH1-OD1 2.68Å; R110-N146 PolarHBondContact NH2-O 3.21Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 2.76Å; F142-N146 PolarHBondContact O-ND2 2.89Å; A143-N146 CarbonylContact O-C 3.54Å; A143-N146 PolarHBondContact O-N 3.3Å; A143-N146 VanDerWaalsContact O-N 3.15Å; D144-N146 PolarHBondContact O-N 3.43Å; N146-L148 VanDerWaalsContact C-N 3.28Å; N146-L148 HydrophobicContact CB-CD1 4Å; N146-L148 HydrophobicContact CB-CD2 4.16Å; N146-L148 HydrophobicContact CB-CG 3.75Å; N146-L148 WeakPolarHBondContact O-CD2 3.28Å; N146-L148 PolarHBondContact O-N 3.49Å
147G97.6Very high98.3Very high73 Ų7351.6 Ų51.675%0.75327%0.271SS*.THydrogen-bonded Turntrans59.535.9-18000000114A143 D144A143-G147 PolarHBondContact O-N 3.4Å; D144-G147 PolarHBondContact O-N 3.19Å; D144-G147 VanDerWaalsContact O-N 3.13Å
148L98.6Very high98.2Very high14 Ų1446.7 Ų46.77%0.07326%0.255CS..  trans-97.3149.6180-43.9-179.7000110.4M89 L106 I119 L121 F142 A143 N146M89-L148 HydrophobicContact CE-CD1 3.7Å; L106-L148 HydrophobicContact CD1-CD1 4.29Å; L106-L148 HydrophobicContact CD1-CD2 3.83Å; L106-L148 HydrophobicContact CD2-CD1 4.36Å; I119-L148 HydrophobicContact CB-CD2 3.86Å; I119-L148 HydrophobicContact CD1-CD2 4.49Å; I119-L148 HydrophobicContact CG2-CD2 3.88Å; L121-L148 HydrophobicContact CB-CD1 4.25Å; F142-L148 HydrophobicContact CD1-CD1 4.46Å; F142-L148 HydrophobicContact CE1-CD1 4.04Å; A143-L148 HydrophobicContact CB-CB 4.06Å; A143-L148 PolarHBondContact O-N 3.23Å; N146-L148 VanDerWaalsContact C-N 3.28Å; N146-L148 HydrophobicContact CB-CD1 4Å; N146-L148 HydrophobicContact CB-CD2 4.16Å; N146-L148 HydrophobicContact CB-CG 3.75Å; N146-L148 WeakPolarHBondContact O-CD2 3.28Å; N146-L148 PolarHBondContact O-N 3.49Å
149L98.6Very high98.2Very high61 Ų6148.1 Ų48.132%0.31926%0.264SS..EExtended strand (participates in β ladder)trans-69.1149.8160.9-62175.1000109V118 I119 F120 L121 K171V118-L149 HydrophobicContact CG1-CD1 3.75Å; I119-L149 PolarHBondContact O-N 3.14Å; I119-L149 VanDerWaalsContact O-N 3.15Å; F120-L149 HydrophobicContact CB-CB 4.24Å; F120-L149 HydrophobicContact CD1-CB 4.09Å; F120-L149 HydrophobicContact CD2-CB 3.37Å; F120-L149 HydrophobicContact CD2-CD1 3.5Å; F120-L149 HydrophobicContact CD2-CG 4.08Å; F120-L149 HydrophobicContact CE1-CB 4.25Å; F120-L149 HydrophobicContact CE2-CB 3.58Å; F120-L149 HydrophobicContact CE2-CD1 3.82Å; F120-L149 HydrophobicContact CE2-CG 4.31Å; F120-L149 HydrophobicContact CG-CB 3.64Å; F120-L149 HydrophobicContact CG-CD1 4.42Å; F120-L149 HydrophobicContact CZ-CB 4.01Å; L121-L149 PolarHBondContact N-O 2.77Å; L149-K171 HydrophobicContact CD1-CB 4.16Å; L149-K171 HydrophobicContact CD1-CG 4.42Å
150F98.7Very high98.2Very high21 Ų2151.6 Ų51.69%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-143.6139.9-178.4178.3-108.8000112.6Y91 L121 Y136 A139 K140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.14Å; L121-F150 HydrophobicContact CB-CD2 3.99Å; L121-F150 HydrophobicContact CD2-CD2 3.74Å; L121-F150 HydrophobicContact CD2-CE2 4.07Å; L121-F150 HydrophobicContact CG-CD2 3.71Å; L121-F150 HydrophobicContact CG-CE2 4.1Å; L121-F150 WeakPolarHBondContact O-CA 3.36Å; L121-F150 WeakPolarHBondContact O-CD2 3.12Å; Y136-F150 AromaticContact CD2-CE1 3.8Å; Y136-F150 HydrophobicContact CD2-CE1 3.8Å; Y136-F150 HydrophobicContact CD2-CZ 4.31Å; Y136-F150 HydrophobicContact CE1-CE1 4.29Å; Y136-F150 HydrophobicContact CE2-CD1 4.21Å; Y136-F150 AromaticContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CE1 3.47Å; Y136-F150 VanDerWaalsContact CE2-CE1 3.47Å; Y136-F150 HydrophobicContact CE2-CZ 4.32Å; Y136-F150 HydrophobicContact CG-CE1 4.33Å; Y136-F150 AromaticContact CZ-CE1 3.74Å; A139-F150 HydrophobicContact CB-CE2 3.69Å; A139-F150 HydrophobicContact CB-CZ 3.59Å; K140-F150 HydrophobicContact CB-CD1 3.87Å; K140-F150 HydrophobicContact CB-CE1 3.8Å; K140-F150 HydrophobicContact CD-CB 4.29Å; K140-F150 HydrophobicContact CD-CD1 3.61Å; K140-F150 HydrophobicContact CD-CE1 4.36Å; K140-F150 HydrophobicContact CD-CG 4.29Å; K140-F150 HydrophobicContact CG-CD1 4.33Å; A143-F150 HydrophobicContact CB-CB 3.6Å; A143-F150 HydrophobicContact CB-CD2 4.37Å; A143-F150 HydrophobicContact CB-CG 4.13Å; F150-E152 HydrophobicContact CZ-CG 3.99Å
151M98.7Very high98.2Very high45 Ų4548.5 Ų48.522%0.22227%0.267CS..EExtended strand (participates in β ladder)trans-162.1149174.8-169.4167.6-81.100109.3F120 L121 I122 G123 H160 D163 V164F120-M151 HydrophobicContact CE1-CB 3.57Å; F120-M151 HydrophobicContact CZ-CB 3.78Å; L121-M151 PolarHBondContact O-N 3.29Å; I122-M151 WeakPolarHBondContact CA-O 3.48Å; G123-M151 PolarHBondContact N-O 2.61Å; G123-M151 VanDerWaalsContact N-O 3.09Å; M151-H160 HydrophobicContact CG-CB 3.95Å; M151-H160 HydrophobicContact SD-CB 3.61Å; M151-D163 HydrophobicContact CE-CB 4.32Å; M151-D163 HydrophobicContact SD-CB 3.86Å; M151-V164 HydrophobicContact CB-CG1 3.86Å; M151-V164 HydrophobicContact CG-CG1 4.13Å; M151-V164 HydrophobicContact SD-CG1 3.76Å
152E98.8Very high98.1Very high20 Ų2045 Ų459%0.09325%0.251CS..EExtended strand (participates in β ladder)trans-96.7145.3167-65.4-168.7159.700110.7G123 R132 Y136 F150 H160G123-E152 CarbonylContact O-C 3.46Å; G123-E152 WeakPolarHBondContact O-CA 3.41Å; G123-E152 WeakPolarHBondContact O-CB 3.37Å; R132-E152 IonicContact CZ-OE1 2.78Å; R132-E152 IonicContact CZ-OE2 3.49Å; R132-E152 IonicContact NH1-OE1 3.08Å; R132-E152 PolarHBondContact NH1-OE1 3.06Å; R132-E152 IonicContact NH1-OE2 2.73Å; R132-E152 PolarHBondContact NH1-OE2 3.39Å; R132-E152 IonicContact NH2-OE1 3.41Å; R132-E152 IonicContact NH2-OE2 3.53Å; R132-E152 PolarHBondContact NH2-OE2 3.04Å; Y136-E152 HydrophobicContact CD2-CG 3.92Å; Y136-E152 HydrophobicContact CE2-CG 4.31Å; F150-E152 HydrophobicContact CZ-CG 3.99Å; E152-H160 WeakPolarHBondContact O-CB 3.36Å; E152-H160 PolarHBondContact O-ND1 3.39Å; E152-H160 VanDerWaalsContact O-ND1 3.14Å
153C98.4Very high98.1Very high0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-137.6160.5-176.2-57.50000111.4L27 I122 G123 N124 K125 S126 D159 H160 V161 V164L27-C153 HydrophobicContact CD2-CB 4.3Å; I122-C153 HydrophobicContact CG2-CB 4.1Å; G123-C153 PolarHBondContact O-N 2.97Å; N124-C153 CarbonylContact C-O 3.53Å; N124-C153 VanDerWaalsContact CA-O 3.32Å; N124-C153 WeakPolarHBondContact CA-O 3.47Å; N124-C153 PolarHBondContact OD1-O 3.5Å; K125-C153 PolarHBondContact N-O 2.81Å; S126-C153 PolarHBondContact N-O 2.78Å; S126-C153 PolarHBondContact OG-O 3.26Å; C153-D159 WeakPolarHBondContact CA-O 3.43Å; C153-D159 WeakPolarHBondContact CB-O 3.47Å; C153-H160 HydrophobicContact CB-CB 4.36Å; C153-V161 HydrophobicContact CB-CG2 4.43Å; C153-V164 WeakPolarHBondContact SG-CG1 3.19Å
154S98.3Very high98.1Very high0 Ų047.1 Ų47.10%026%0.263CS..  trans-123107.9163173.30000109.8S126 D127 K156 T157 G158 D159 V161S126-S154 WeakPolarHBondContact OG-CB 3.5Å; S126-S154 PolarHBondContact OG-N 2.75Å; D127-S154 WeakPolarHBondContact CB-OG 3.21Å; D127-S154 VanDerWaalsContact CG-OG 3.27Å; D127-S154 WeakPolarHBondContact OD1-CB 3.21Å; D127-S154 PolarHBondContact OD1-OG 3.22Å; S154-K156 PolarHBondContact O-N 2.94Å; S154-K156 VanDerWaalsContact O-N 3.17Å; S154-K156 PolarHBondContact OG-N 3.19Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.47Å; S154-T157 PolarHBondContact O-N 3.16Å; S154-T157 PolarHBondContact OG-N 3.15Å; S154-T157 VanDerWaalsContact OG-N 3.07Å; S154-T157 PolarHBondContact OG-OG1 3.28Å; S154-G158 CarbonylContact O-C 3.6Å; S154-G158 WeakPolarHBondContact O-CA 3.4Å; S154-G158 PolarHBondContact O-N 3.29Å; S154-D159 PolarHBondContact N-O 3.11Å; S154-D159 PolarHBondContact O-N 3.01Å; S154-V161 WeakPolarHBondContact O-CG2 3.46Å
155A97.2Very high98.1Very high2 Ų242.8 Ų42.82%0.01724%0.24CC..THydrogen-bonded Turntrans-57-27168.600000112.6C26 L27 Q30 F36 N124C26-A155 HydrophobicContact CB-CB 3.62Å; L27-A155 HydrophobicContact CD2-CB 3.89Å; L27-A155 HydrophobicContact CG-CB 4.1Å; Q30-A155 WeakPolarHBondContact CG-O 2.99Å; Q30-A155 PolarHBondContact NE2-O 3.26Å; F36-A155 HydrophobicContact CD2-CB 4.46Å; F36-A155 WeakPolarHBondContact CD2-O 3.39Å; N124-A155 PolarHBondContact OD1-N 3.32Å; N124-A155 VanDerWaalsContact OD1-N 3.11Å
156K96.7Very high98.1Very high116 Ų11638 Ų3850%0.50422%0.218SC..THydrogen-bonded Turntrans-73.3-47.5-179.5-175.6-171.5-176.8178.70112.4F36 D127 S154F36-K156 HydrophobicContact CD1-CB 4.43Å; F36-K156 HydrophobicContact CD1-CG 4.06Å; F36-K156 VanDerWaalsContact CD2-CA 3.49Å; F36-K156 HydrophobicContact CD2-CB 4.14Å; F36-K156 HydrophobicContact CE1-CB 4.29Å; F36-K156 HydrophobicContact CE1-CG 3.95Å; F36-K156 HydrophobicContact CE2-CB 3.98Å; F36-K156 HydrophobicContact CG-CB 4.35Å; F36-K156 HydrophobicContact CG-CG 4.4Å; F36-K156 HydrophobicContact CZ-CB 4.06Å; F36-K156 HydrophobicContact CZ-CG 4.19Å; D127-K156 WeakPolarHBondContact OD2-CD 3.38Å; D127-K156 IonicContact OD2-NZ 3.85Å; S154-K156 PolarHBondContact O-N 2.94Å; S154-K156 VanDerWaalsContact O-N 3.17Å; S154-K156 PolarHBondContact OG-N 3.19Å
157T96.9Very high98.1Very high92 Ų9239.5 Ų39.556%0.56422%0.224SC*.THydrogen-bonded Turntrans-89.9-19.3-178.566.40000112.5D127 S154 D159D127-T157 HydrophobicContact CB-CG2 4.01Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.47Å; S154-T157 PolarHBondContact O-N 3.16Å; S154-T157 PolarHBondContact OG-N 3.15Å; S154-T157 VanDerWaalsContact OG-N 3.07Å; S154-T157 PolarHBondContact OG-OG1 3.28Å; T157-D159 VanDerWaalsContact C-N 3.29Å; T157-D159 VanDerWaalsContact OG1-CB 3.28Å; T157-D159 WeakPolarHBondContact OG1-CB 3.33Å; T157-D159 PolarHBondContact OG1-N 2.94Å
158G97.3Very high98.2Very high28 Ų2836 Ų3629%0.28919%0.188SC..  trans86.4-0.6-171.100000113.6Q30 S154 H160 V161Q30-G158 VanDerWaalsContact NE2-CA 3.31Å; S154-G158 CarbonylContact O-C 3.6Å; S154-G158 WeakPolarHBondContact O-CA 3.4Å; S154-G158 PolarHBondContact O-N 3.29Å; G158-H160 PolarHBondContact O-N 3.27Å; G158-V161 PolarHBondContact O-N 3.4Å
159D98.4Very high98.1Very high71 Ų7135.3 Ų35.338%0.3819%0.185SC..THydrogen-bonded Turntrans-57.5125.1179.1-174.354.4000111C153 S154 T157 V161C153-D159 WeakPolarHBondContact CA-O 3.43Å; C153-D159 WeakPolarHBondContact CB-O 3.47Å; S154-D159 PolarHBondContact N-O 3.11Å; S154-D159 PolarHBondContact O-N 3.01Å; T157-D159 VanDerWaalsContact C-N 3.29Å; T157-D159 VanDerWaalsContact OG1-CB 3.28Å; T157-D159 WeakPolarHBondContact OG1-CB 3.33Å; T157-D159 PolarHBondContact OG1-N 2.94Å; D159-V161 PolarHBondContact O-N 3.25Å
160H98.3Very high98.1Very high72 Ų7237 Ų3733%0.33319%0.186SC..THydrogen-bonded Turntrans56.23.9-176.7-62.1125.8000117.2M151 E152 C153 G158 E162 D163 V164M151-H160 HydrophobicContact CG-CB 3.95Å; M151-H160 HydrophobicContact SD-CB 3.61Å; E152-H160 WeakPolarHBondContact O-CB 3.36Å; E152-H160 PolarHBondContact O-ND1 3.39Å; E152-H160 VanDerWaalsContact O-ND1 3.14Å; C153-H160 HydrophobicContact CB-CB 4.36Å; G158-H160 PolarHBondContact O-N 3.27Å; H160-E162 VanDerWaalsContact C-N 3.33Å; H160-E162 PolarHBondContact O-N 3.17Å; H160-D163 WeakPolarHBondContact CA-OD2 3.48Å; H160-D163 IonicContact CD2-OD2 3.79Å; H160-D163 PolarHBondContact CD2-OD2 3.18Å; H160-D163 PolarHBondContact O-N 2.9Å; H160-V164 PolarHBondContact O-N 2.87Å
161V98.4Very high98.1Very high1 Ų139.5 Ų39.51%0.00620%0.198CC..Hα-helixtrans-65.2-38.2-179.2178.20000111.1L27 Q30 F31 C153 S154 G158 D159 V164 F165L27-V161 HydrophobicContact CD2-CG1 4.26Å; L27-V161 HydrophobicContact CD2-CG2 3.81Å; Q30-V161 HydrophobicContact CB-CG1 4.15Å; Q30-V161 HydrophobicContact CG-CB 4.23Å; Q30-V161 HydrophobicContact CG-CG1 3.97Å; Q30-V161 HydrophobicContact CG-CG2 4.07Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; C153-V161 HydrophobicContact CB-CG2 4.43Å; S154-V161 WeakPolarHBondContact O-CG2 3.46Å; G158-V161 PolarHBondContact O-N 3.4Å; D159-V161 PolarHBondContact O-N 3.25Å; V161-V164 WeakPolarHBondContact O-CG2 3.36Å; V161-F165 HydrophobicContact CG1-CE2 4.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.47Å
162E97.8Very high98Very high42 Ų4237.5 Ų37.520%0.19619%0.188CC..Hα-helixtrans-67.2-41.6176.3-166.375.8-174.800111.3K34 R51 H160 V164 F165 I166K34-E162 IonicContact NZ-OE2 2.72Å; K34-E162 PolarHBondContact NZ-OE2 2.93Å; R51-E162 IonicContact CZ-OE1 2.83Å; R51-E162 IonicContact CZ-OE2 3.99Å; R51-E162 VanDerWaalsContact NH1-CD 3.29Å; R51-E162 IonicContact NH1-OE1 3.94Å; R51-E162 PolarHBondContact NH1-OE1 3.35Å; R51-E162 IonicContact NH1-OE2 2.68Å; R51-E162 PolarHBondContact NH1-OE2 3.05Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 3.04Å; R51-E162 IonicContact NH2-OE2 3.57Å; H160-E162 VanDerWaalsContact C-N 3.33Å; H160-E162 PolarHBondContact O-N 3.17Å; E162-V164 PolarHBondContact O-N 3.2Å; E162-F165 PolarHBondContact O-N 2.81Å; E162-I166 HydrophobicContact CG-CD1 3.59Å; E162-I166 HydrophobicContact CG-CG1 4.32Å; E162-I166 WeakPolarHBondContact O-CG1 3.37Å; E162-I166 PolarHBondContact O-N 3.11Å; E162-I166 VanDerWaalsContact O-N 3.14Å
163D98.4Very high97.8Very high67 Ų6737.2 Ų37.236%0.35819%0.186SC..Hα-helixtrans-65-44.6-170.8-57.8-46.8000111.5M151 H160 F165 I166 E167M151-D163 HydrophobicContact CE-CB 4.32Å; M151-D163 HydrophobicContact SD-CB 3.86Å; H160-D163 WeakPolarHBondContact CA-OD2 3.48Å; H160-D163 IonicContact CD2-OD2 3.79Å; H160-D163 PolarHBondContact CD2-OD2 3.18Å; H160-D163 PolarHBondContact O-N 2.9Å; D163-F165 VanDerWaalsContact C-N 3.32Å; D163-F165 PolarHBondContact O-N 3.17Å; D163-I166 PolarHBondContact O-N 3.39Å; D163-E167 VanDerWaalsContact O-CB 3.28Å; D163-E167 WeakPolarHBondContact O-CB 3.32Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.16Å; D163-E167 PolarHBondContact O-N 3.38Å
164V98.6Very high97.7Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-58.4-41.8179.3-65.60000112.7F120 I122 M151 C153 H160 V161 E162 T168F120-V164 HydrophobicContact CD1-CG1 4.33Å; F120-V164 HydrophobicContact CE1-CB 4.31Å; F120-V164 HydrophobicContact CE1-CG1 3.73Å; F120-V164 HydrophobicContact CZ-CB 4.31Å; F120-V164 HydrophobicContact CZ-CG1 3.88Å; I122-V164 HydrophobicContact CD1-CB 3.99Å; I122-V164 HydrophobicContact CD1-CG1 4.22Å; I122-V164 HydrophobicContact CD1-CG2 3.96Å; I122-V164 HydrophobicContact CG1-CB 4.45Å; I122-V164 HydrophobicContact CG1-CG1 4.2Å; M151-V164 HydrophobicContact CB-CG1 3.86Å; M151-V164 HydrophobicContact CG-CG1 4.13Å; M151-V164 HydrophobicContact SD-CG1 3.76Å; C153-V164 WeakPolarHBondContact SG-CG1 3.19Å; H160-V164 PolarHBondContact O-N 2.87Å; V161-V164 WeakPolarHBondContact O-CG2 3.36Å; E162-V164 PolarHBondContact O-N 3.2Å; V164-T168 PolarHBondContact O-N 3.31Å; V164-T168 VanDerWaalsContact O-N 3.15Å; V164-T168 PolarHBondContact O-OG1 3.01Å
165F98.5Very high97.5Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-71.8-39.6179.6-72.8-96.6000112.2Y14 I16 F31 L62 I64 L88 V161 E162 D163 A169Y14-F165 HydrophobicContact CD2-CD1 4.04Å; Y14-F165 HydrophobicContact CE2-CD1 4.18Å; Y14-F165 PolarHBondContact OH-O 3.05Å; I16-F165 HydrophobicContact CD1-CZ 4.28Å; F31-F165 HydrophobicContact CB-CD2 3.98Å; F31-F165 HydrophobicContact CB-CE2 3.67Å; F31-F165 HydrophobicContact CB-CZ 4Å; F31-F165 AromaticContact CD1-CD1 3.8Å; F31-F165 HydrophobicContact CD1-CD1 3.8Å; F31-F165 HydrophobicContact CD1-CD2 4.19Å; F31-F165 AromaticContact CD1-CE1 3.98Å; F31-F165 HydrophobicContact CD1-CE1 3.98Å; F31-F165 HydrophobicContact CD1-CE2 4.35Å; F31-F165 AromaticContact CD1-CG 3.91Å; F31-F165 HydrophobicContact CD1-CG 3.91Å; F31-F165 HydrophobicContact CD1-CZ 4.25Å; F31-F165 HydrophobicContact CD2-CB 3.94Å; F31-F165 AromaticContact CD2-CD2 3.64Å; F31-F165 HydrophobicContact CD2-CD2 3.64Å; F31-F165 HydrophobicContact CD2-CE2 4.24Å; F31-F165 AromaticContact CD2-CG 3.79Å; F31-F165 HydrophobicContact CD2-CG 3.79Å; F31-F165 HydrophobicContact CE1-CB 4.14Å; F31-F165 AromaticContact CE1-CD1 3.86Å; F31-F165 HydrophobicContact CE1-CD1 3.86Å; F31-F165 HydrophobicContact CE1-CE1 4.45Å; F31-F165 AromaticContact CE1-CG 3.97Å; F31-F165 HydrophobicContact CE1-CG 3.97Å; F31-F165 HydrophobicContact CE2-CB 3.53Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CE2-CG 3.86Å; F31-F165 HydrophobicContact CG-CB 4.41Å; F31-F165 HydrophobicContact CG-CD1 4.13Å; F31-F165 AromaticContact CG-CD2 3.66Å; F31-F165 HydrophobicContact CG-CD2 3.66Å; F31-F165 HydrophobicContact CG-CE1 4.3Å; F31-F165 AromaticContact CG-CE2 3.83Å; F31-F165 HydrophobicContact CG-CE2 3.83Å; F31-F165 AromaticContact CG-CG 3.81Å; F31-F165 HydrophobicContact CG-CG 3.81Å; F31-F165 HydrophobicContact CG-CZ 4.15Å; F31-F165 HydrophobicContact CZ-CB 3.64Å; F31-F165 HydrophobicContact CZ-CD1 4.25Å; F31-F165 AromaticContact CZ-CG 3.94Å; F31-F165 HydrophobicContact CZ-CG 3.94Å; L62-F165 HydrophobicContact CD1-CB 4.24Å; L62-F165 HydrophobicContact CD1-CD1 4.37Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CG1-CD1 4.46Å; I64-F165 HydrophobicContact CG1-CE1 4.19Å; I64-F165 HydrophobicContact CG2-CE1 4.12Å; L88-F165 HydrophobicContact CD1-CD1 3.75Å; L88-F165 HydrophobicContact CD1-CD2 4.47Å; L88-F165 HydrophobicContact CD1-CE1 3.35Å; L88-F165 HydrophobicContact CD1-CE2 4.17Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.6Å; V161-F165 HydrophobicContact CG1-CE2 4.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.47Å; E162-F165 PolarHBondContact O-N 2.81Å; D163-F165 VanDerWaalsContact C-N 3.32Å; D163-F165 PolarHBondContact O-N 3.17Å; F165-A169 PolarHBondContact O-N 3.25Å
166I98.2Very high97.3Very high32 Ų3243.1 Ų43.116%0.16421%0.214CC..Hα-helixtrans-71.3-43180-66.9-177.8000110.9I53 V55 E162 D163 A169 R170I53-I166 HydrophobicContact CD1-CG1 4.2Å; V55-I166 HydrophobicContact CG2-CG2 4.39Å; E162-I166 HydrophobicContact CG-CD1 3.59Å; E162-I166 HydrophobicContact CG-CG1 4.32Å; E162-I166 WeakPolarHBondContact O-CG1 3.37Å; E162-I166 PolarHBondContact O-N 3.11Å; E162-I166 VanDerWaalsContact O-N 3.14Å; D163-I166 PolarHBondContact O-N 3.39Å; I166-A169 CarbonylContact O-C 3.35Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.21Å; I166-A169 VanDerWaalsContact O-N 3.09Å; I166-R170 WeakPolarHBondContact O-CB 3.15Å; I166-R170 PolarHBondContact O-N 2.93Å
167E98.3Very high97.1Very high72 Ų7243.2 Ų43.234%0.33622%0.217SC..Hα-helixtrans-64.3-41.3177.7-72.3-54.7143.300111.8F120 D163 A169 R170 K171F120-E167 HydrophobicContact CE2-CB 3.8Å; D163-E167 VanDerWaalsContact O-CB 3.28Å; D163-E167 WeakPolarHBondContact O-CB 3.32Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 3.16Å; D163-E167 PolarHBondContact O-N 3.38Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.44Å; E167-R170 PolarHBondContact O-N 3.25Å; E167-R170 IonicContact OE1-CZ 3.05Å; E167-R170 IonicContact OE1-NH1 3.99Å; E167-R170 PolarHBondContact OE1-NH1 3.03Å; E167-R170 IonicContact OE1-NH2 3.61Å; E167-R170 IonicContact OE2-CZ 2.72Å; E167-R170 IonicContact OE2-NH1 3.52Å; E167-R170 PolarHBondContact OE2-NH1 3.17Å; E167-K171 PolarHBondContact O-N 2.79Å
168T98.6Very high96.8Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-57.1-43.2170.4-55.40000110.7Y14 L88 V118 F120 V164 K171 I172Y14-T168 HydrophobicContact CE1-CG2 4Å; Y14-T168 HydrophobicContact CE2-CG2 3.84Å; Y14-T168 VanDerWaalsContact CZ-CG2 3.49Å; Y14-T168 VanDerWaalsContact OH-C 3.29Å; Y14-T168 WeakPolarHBondContact OH-CB 3.37Å; Y14-T168 WeakPolarHBondContact OH-CG2 3.36Å; L88-T168 HydrophobicContact CD2-CG2 4.38Å; L88-T168 WeakPolarHBondContact CD2-OG1 3.41Å; V118-T168 HydrophobicContact CB-CG2 4.25Å; V118-T168 HydrophobicContact CG1-CG2 4.01Å; F120-T168 VanDerWaalsContact CD2-OG1 3.3Å; F120-T168 WeakPolarHBondContact CD2-OG1 3.44Å; V164-T168 PolarHBondContact O-N 3.31Å; V164-T168 VanDerWaalsContact O-N 3.15Å; V164-T168 PolarHBondContact O-OG1 3.01Å; T168-K171 PolarHBondContact O-N 2.94Å; T168-I172 HydrophobicContact CG2-CD1 3.9Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.42Å; T168-I172 PolarHBondContact O-N 2.82Å
169A98.2Very high96.4Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-69.5-39.5-177.300000111.3F12 Y14 I53 V55 L62 F165 I166 E167 K171 I172 H173F12-A169 HydrophobicContact CD2-CB 4.27Å; F12-A169 HydrophobicContact CE2-CB 4.35Å; F12-A169 WeakPolarHBondContact CE2-O 3.05Å; Y14-A169 WeakPolarHBondContact OH-CA 2.85Å; Y14-A169 VanDerWaalsContact OH-CB 3.22Å; Y14-A169 WeakPolarHBondContact OH-CB 3.15Å; Y14-A169 PolarHBondContact OH-N 2.98Å; I53-A169 HydrophobicContact CD1-CB 3.61Å; V55-A169 HydrophobicContact CG2-CB 3.92Å; L62-A169 HydrophobicContact CD2-CB 4.39Å; F165-A169 PolarHBondContact O-N 3.25Å; I166-A169 CarbonylContact O-C 3.35Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.21Å; I166-A169 VanDerWaalsContact O-N 3.09Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.44Å; A169-K171 VanDerWaalsContact C-N 3.35Å; A169-I172 PolarHBondContact O-N 3.31Å; A169-H173 VanDerWaalsContact O-CB 3.27Å; A169-H173 WeakPolarHBondContact O-CB 3.18Å; A169-H173 PolarHBondContact O-N 3.14Å
170R98Very high95.9Very high95 Ų9544.9 Ų44.936%0.35823%0.234SC..Hα-helixtrans-60.6-44.5174.2-172.2-178.9-67.698.7-7.6111.3V55 I166 E167 H173 Q174V55-R170 HydrophobicContact CG1-CB 3.87Å; V55-R170 HydrophobicContact CG1-CG 4.18Å; I166-R170 WeakPolarHBondContact O-CB 3.15Å; I166-R170 PolarHBondContact O-N 2.93Å; E167-R170 PolarHBondContact O-N 3.25Å; E167-R170 IonicContact OE1-CZ 3.05Å; E167-R170 IonicContact OE1-NH1 3.99Å; E167-R170 PolarHBondContact OE1-NH1 3.03Å; E167-R170 IonicContact OE1-NH2 3.61Å; E167-R170 IonicContact OE2-CZ 2.72Å; E167-R170 IonicContact OE2-NH1 3.52Å; E167-R170 PolarHBondContact OE2-NH1 3.17Å; R170-H173 PolarHBondContact O-N 2.66Å; R170-Q174 WeakPolarHBondContact O-CB 3.46Å; R170-Q174 PolarHBondContact O-N 2.86Å
171K97.7Very high95.2Very high75 Ų7541.9 Ų41.933%0.32622%0.22SC..Hα-helixtrans-66.5-42.6178.2-174.561.4-176171.60112.5V118 L149 E167 T168 A169 H173 Q174 N175V118-K171 HydrophobicContact CG1-CB 4.03Å; V118-K171 HydrophobicContact CG1-CG 3.93Å; V118-K171 HydrophobicContact CG2-CB 4.14Å; V118-K171 HydrophobicContact CG2-CG 3.71Å; L149-K171 HydrophobicContact CD1-CB 4.16Å; L149-K171 HydrophobicContact CD1-CG 4.42Å; E167-K171 PolarHBondContact O-N 2.79Å; T168-K171 PolarHBondContact O-N 2.94Å; A169-K171 VanDerWaalsContact C-N 3.35Å; K171-H173 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 3Å; K171-N175 WeakPolarHBondContact CE-OD1 3.23Å; K171-N175 VanDerWaalsContact O-CG 3.26Å; K171-N175 PolarHBondContact O-N 3.09Å; K171-N175 PolarHBondContact O-OD1 2.86Å
172I97Very high94.4Very high3 Ų346 Ų462%0.01524%0.242CC..Hα-helixtrans-61.2-46.8174.6-65.9163.1000110.1F12 Y14 A85 V118 T168 A169 Q174 N175 I176 L181 V190F12-I172 HydrophobicContact CD1-CG2 4.21Å; F12-I172 HydrophobicContact CD2-CB 4.06Å; F12-I172 HydrophobicContact CD2-CD1 4.06Å; F12-I172 HydrophobicContact CD2-CG2 3.84Å; F12-I172 HydrophobicContact CE1-CG2 3.96Å; F12-I172 HydrophobicContact CE2-CB 3.74Å; F12-I172 HydrophobicContact CE2-CG2 3.54Å; F12-I172 HydrophobicContact CG-CG2 4.19Å; F12-I172 HydrophobicContact CZ-CB 4.26Å; F12-I172 HydrophobicContact CZ-CG2 3.62Å; Y14-I172 HydrophobicContact CD1-CD1 4.41Å; Y14-I172 HydrophobicContact CE1-CD1 3.46Å; Y14-I172 VanDerWaalsContact CE1-CD1 3.46Å; A85-I172 HydrophobicContact CB-CD1 3.92Å; A85-I172 HydrophobicContact CB-CG2 4.35Å; A85-I172 WeakPolarHBondContact O-CD1 2.97Å; V118-I172 HydrophobicContact CB-CD1 4.47Å; V118-I172 HydrophobicContact CB-CG1 3.87Å; V118-I172 HydrophobicContact CG2-CB 4.48Å; V118-I172 HydrophobicContact CG2-CG1 3.51Å; T168-I172 HydrophobicContact CG2-CD1 3.9Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.42Å; T168-I172 PolarHBondContact O-N 2.82Å; A169-I172 PolarHBondContact O-N 3.31Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 3.09Å; I172-N175 WeakPolarHBondContact O-CB 3.39Å; I172-N175 PolarHBondContact O-N 2.94Å; I172-N175 VanDerWaalsContact O-N 3.17Å; I172-I176 HydrophobicContact CG2-CD1 4.38Å; I172-I176 WeakPolarHBondContact O-CG1 3.47Å; I172-I176 PolarHBondContact O-N 3.47Å; I172-I176 VanDerWaalsContact O-N 3.1Å; I172-L181 HydrophobicContact CG2-CD2 4.34Å; I172-V190 HydrophobicContact CG2-CG2 3.79Å
173H95.8Very high93.7Very high13 Ų1346.6 Ų46.66%0.0625%0.246CC..Hα-helixtrans-62.3-40.6178.7-174.9-94.4000111.9F12 I60 A169 R170 K171 N175 I176 Q177F12-H173 HydrophobicContact CE2-CB 4.44Å; F12-H173 HydrophobicContact CZ-CB 4.31Å; I60-H173 HydrophobicContact CD1-CB 4.45Å; A169-H173 VanDerWaalsContact O-CB 3.27Å; A169-H173 WeakPolarHBondContact O-CB 3.18Å; A169-H173 PolarHBondContact O-N 3.14Å; R170-H173 PolarHBondContact O-N 2.66Å; K171-H173 VanDerWaalsContact C-N 3.35Å; H173-N175 PolarHBondContact O-N 3.4Å; H173-I176 WeakPolarHBondContact O-CB 3.28Å; H173-I176 PolarHBondContact O-N 2.63Å; H173-Q177 PolarHBondContact CE1-NE2 2.91Å; H173-Q177 PolarHBondContact NE2-NE2 3.08Å; H173-Q177 WeakPolarHBondContact O-CG 3.38Å; H173-Q177 PolarHBondContact O-N 3.44Å
174Q95.6Very high92.8Very high86 Ų8650.4 Ų50.440%0.40227%0.267SS..Hα-helixtrans-59.2-45.6173.1-177.1-176.610.300111.4R170 K171 I172 I176 Q177 D178R170-Q174 WeakPolarHBondContact O-CB 3.46Å; R170-Q174 PolarHBondContact O-N 2.86Å; K171-Q174 PolarHBondContact O-N 3Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 3.09Å; Q174-I176 PolarHBondContact O-N 2.85Å; Q174-Q177 PolarHBondContact O-N 3.41Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.39Å; Q174-D178 PolarHBondContact NE2-OD2 3.07Å; Q174-D178 WeakPolarHBondContact O-CB 3.46Å; Q174-D178 PolarHBondContact O-N 3.41Å
175N94.4Very high91.9Very high20 Ų2052.3 Ų52.311%0.10728%0.283CS..Hα-helixtrans-60-32.2177.7-67.9-6.6000112.5K171 I172 H173 G179 S180 L181K171-N175 WeakPolarHBondContact CE-OD1 3.23Å; K171-N175 VanDerWaalsContact O-CG 3.26Å; K171-N175 PolarHBondContact O-N 3.09Å; K171-N175 PolarHBondContact O-OD1 2.86Å; I172-N175 WeakPolarHBondContact O-CB 3.39Å; I172-N175 PolarHBondContact O-N 2.94Å; I172-N175 VanDerWaalsContact O-N 3.17Å; H173-N175 PolarHBondContact O-N 3.4Å; N175-G179 PolarHBondContact O-N 2.75Å; N175-S180 WeakPolarHBondContact CA-OG 3.28Å; N175-S180 VanDerWaalsContact CB-OG 3.27Å; N175-S180 WeakPolarHBondContact CB-OG 3.06Å; N175-S180 PolarHBondContact O-N 3.02Å; N175-S180 PolarHBondContact O-OG 3.36Å; N175-L181 HydrophobicContact CB-CB 4.15Å; N175-L181 PolarHBondContact O-N 3.11Å
176I92.4Very high90.7Very high20 Ų2056.1 Ų56.110%0.10331%0.314CS..Hα-helixtrans-67.9-48172.5-61.6166000110.7Y10 F12 I172 H173 Q174 D178 G179 L181 L183 V190Y10-I176 HydrophobicContact CD1-CD1 4.33Å; Y10-I176 HydrophobicContact CE1-CD1 4.15Å; F12-I176 HydrophobicContact CE1-CD1 3.82Å; F12-I176 HydrophobicContact CZ-CD1 3.82Å; I172-I176 HydrophobicContact CG2-CD1 4.38Å; I172-I176 WeakPolarHBondContact O-CG1 3.47Å; I172-I176 PolarHBondContact O-N 3.47Å; I172-I176 VanDerWaalsContact O-N 3.1Å; H173-I176 WeakPolarHBondContact O-CB 3.28Å; H173-I176 PolarHBondContact O-N 2.63Å; Q174-I176 PolarHBondContact O-N 2.85Å; I176-D178 VanDerWaalsContact C-N 3.34Å; I176-D178 PolarHBondContact O-N 3.29Å; I176-G179 PolarHBondContact O-N 3.4Å; I176-L181 HydrophobicContact CD1-CD2 4.47Å; I176-L181 HydrophobicContact CG1-CB 4.32Å; I176-L181 HydrophobicContact CG1-CD2 3.8Å; I176-L181 HydrophobicContact CG1-CG 4.44Å; I176-L183 HydrophobicContact CD1-CD2 4.09Å; I176-L183 HydrophobicContact CG1-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CD1 3.95Å; I176-L183 HydrophobicContact CG2-CD2 4.29Å; I176-L183 HydrophobicContact CG2-CG 4.22Å; I176-V190 HydrophobicContact CD1-CG1 3.84Å; I176-V190 HydrophobicContact CD1-CG2 4.33Å
177Q91.7Very high89.9Confident119 Ų11958.7 Ų58.756%0.55633%0.325SS*.Hα-helixtrans-65.2-38.1-177.4-64.8-58.1-49.400112.4H173 Q174 G179H173-Q177 PolarHBondContact CE1-NE2 2.91Å; H173-Q177 PolarHBondContact NE2-NE2 3.08Å; H173-Q177 WeakPolarHBondContact O-CG 3.38Å; H173-Q177 PolarHBondContact O-N 3.44Å; Q174-Q177 PolarHBondContact O-N 3.41Å; Q177-G179 PolarHBondContact O-N 3.46Å
178D92Very high89.4Confident110 Ų11055.7 Ų55.759%0.58831%0.312SS*.THydrogen-bonded Turntrans-79.6-3.2-180-62.9-12.1000112.2Q174 I176 S180Q174-D178 WeakPolarHBondContact CG-OD2 3.39Å; Q174-D178 PolarHBondContact NE2-OD2 3.07Å; Q174-D178 WeakPolarHBondContact O-CB 3.46Å; Q174-D178 PolarHBondContact O-N 3.41Å; I176-D178 VanDerWaalsContact C-N 3.34Å; I176-D178 PolarHBondContact O-N 3.29Å; D178-S180 VanDerWaalsContact C-N 3.25Å; D178-S180 PolarHBondContact O-N 2.62Å
179G88Confident88.8Confident58 Ų5856.4 Ų56.460%0.59832%0.319SS*.THydrogen-bonded Turntrans73.79.1-179.800000114.8N175 I176 Q177 L181N175-G179 PolarHBondContact O-N 2.75Å; I176-G179 PolarHBondContact O-N 3.4Å; Q177-G179 PolarHBondContact O-N 3.46Å; G179-L181 VanDerWaalsContact C-N 3.28Å
180S87.2Confident88.5Confident57 Ų5756.9 Ų56.940%0.39932%0.322SS..SBendtrans-74.8-20.4175.862.40000112.7N116 N175 D178N116-S180 PolarHBondContact ND2-O 3.23Å; N175-S180 WeakPolarHBondContact CA-OG 3.28Å; N175-S180 VanDerWaalsContact CB-OG 3.27Å; N175-S180 WeakPolarHBondContact CB-OG 3.06Å; N175-S180 PolarHBondContact O-N 3.02Å; N175-S180 PolarHBondContact O-OG 3.36Å; D178-S180 VanDerWaalsContact C-N 3.25Å; D178-S180 PolarHBondContact O-N 2.62Å
181L85Confident88.2Confident9 Ų957.6 Ų57.65%0.04733%0.329CS..SBendtrans-110.7102.7171.2-173.364.5000111.2N116 I172 N175 I176 G179 L183 T188 V190N116-L181 HydrophobicContact CB-CD1 3.69Å; I172-L181 HydrophobicContact CG2-CD2 4.34Å; N175-L181 HydrophobicContact CB-CB 4.15Å; N175-L181 PolarHBondContact O-N 3.11Å; I176-L181 HydrophobicContact CD1-CD2 4.47Å; I176-L181 HydrophobicContact CG1-CB 4.32Å; I176-L181 HydrophobicContact CG1-CD2 3.8Å; I176-L181 HydrophobicContact CG1-CG 4.44Å; G179-L181 VanDerWaalsContact C-N 3.28Å; L181-L183 PolarHBondContact O-N 2.98Å; L181-T188 HydrophobicContact CD1-CG2 3.75Å; L181-T188 HydrophobicContact CG-CG2 4.32Å; L181-V190 HydrophobicContact CD2-CB 4.44Å; L181-V190 HydrophobicContact CD2-CG2 3.68Å
182D81.4Confident87.7Confident87 Ų8758.5 Ų58.547%0.46534%0.335SS..  trans-72.4111.4171.1178.214.6000110.6N184 A185 T188D182-N184 PolarHBondContact O-N 2.81Å; D182-N184 VanDerWaalsContact O-N 3.17Å; D182-N184 WeakPolarHBondContact OD1-CB 3.46Å; D182-N184 PolarHBondContact OD1-N 3.29Å; D182-N184 PolarHBondContact OD1-ND2 3.07Å; D182-A185 HydrophobicContact CB-CB 4.27Å; D182-A185 VanDerWaalsContact O-CB 3.28Å; D182-A185 WeakPolarHBondContact O-CB 3.5Å; D182-A185 PolarHBondContact O-N 2.6Å; D182-T188 WeakPolarHBondContact O-CG2 3.37Å
183L82.9Confident86.9Confident55 Ų5562.6 Ų62.629%0.28835%0.352SS..THydrogen-bonded Turntrans-64.4-16.9179.1-63.8-179.4000113.8Y10 I176 L181 V190 H192Y10-L183 HydrophobicContact CE1-CD1 4.28Å; I176-L183 HydrophobicContact CD1-CD2 4.09Å; I176-L183 HydrophobicContact CG1-CD2 3.99Å; I176-L183 HydrophobicContact CG2-CD1 3.95Å; I176-L183 HydrophobicContact CG2-CD2 4.29Å; I176-L183 HydrophobicContact CG2-CG 4.22Å; L181-L183 PolarHBondContact O-N 2.98Å; L183-V190 HydrophobicContact CD2-CB 3.9Å; L183-V190 HydrophobicContact CD2-CG1 3.49Å; L183-V190 VanDerWaalsContact CD2-CG1 3.49Å; L183-H192 HydrophobicContact CD1-CB 4.16Å
184N79.7Confident85.4Confident147 Ų14766.4 Ų66.479%0.78638%0.378SS*.THydrogen-bonded Turntrans-86.5-13.7176.1-52.8-68.5000112.7D182D182-N184 PolarHBondContact O-N 2.81Å; D182-N184 VanDerWaalsContact O-N 3.17Å; D182-N184 WeakPolarHBondContact OD1-CB 3.46Å; D182-N184 PolarHBondContact OD1-N 3.29Å; D182-N184 PolarHBondContact OD1-ND2 3.07Å
185A78.3Confident83.7Confident41 Ų4167.8 Ų67.834%0.33938%0.384SS..SBendtrans-64.1142.7175.400000110.2D182 T188D182-A185 HydrophobicContact CB-CB 4.27Å; D182-A185 VanDerWaalsContact O-CB 3.28Å; D182-A185 WeakPolarHBondContact O-CB 3.5Å; D182-A185 PolarHBondContact O-N 2.6Å; A185-T188 HydrophobicContact CB-CG2 3.94Å; A185-T188 WeakPolarHBondContact O-CG2 3.36Å
186A74.3Confident81.5Confident79 Ų7975.9 Ų75.965%0.65342%0.421SS*.THydrogen-bonded Turntrans-61.314317300000110T188A186-T188 VanDerWaalsContact C-N 3.33Å; A186-T188 PolarHBondContact O-N 3.29Å
187E81.8Confident79.2Confident87 Ų8778.7 Ų78.741%0.40745%0.448SS..THydrogen-bonded Turntrans62.431.4166.9-61.1164.2-154.300115.5R82 G83 G189R82-E187 HydrophobicContact CG-CG 4.16Å; R82-E187 VanDerWaalsContact CG-OE2 3.26Å; R82-E187 WeakPolarHBondContact CG-OE2 3.35Å; R82-E187 IonicContact CZ-OE1 3.01Å; R82-E187 IonicContact CZ-OE2 3.9Å; R82-E187 IonicContact NE-OE1 2.75Å; R82-E187 PolarHBondContact NE-OE1 2.89Å; R82-E187 IonicContact NE-OE2 3.2Å; R82-E187 PolarHBondContact NE-OE2 2.9Å; R82-E187 IonicContact NH2-OE1 2.59Å; R82-E187 PolarHBondContact NH2-OE1 3.25Å; G83-E187 WeakPolarHBondContact CA-O 3.5Å; E187-G189 PolarHBondContact O-N 2.9Å
188T86.6Confident76.8Confident9 Ų983.5 Ų83.56%0.05546%0.461CS..  trans-65.3-21.6169.458.80000113.6A85 L181 D182 A185 A186 V190A85-T188 WeakPolarHBondContact CA-O 3.27Å; A85-T188 WeakPolarHBondContact CB-O 3.43Å; L181-T188 HydrophobicContact CD1-CG2 3.75Å; L181-T188 HydrophobicContact CG-CG2 4.32Å; D182-T188 WeakPolarHBondContact O-CG2 3.37Å; A185-T188 HydrophobicContact CB-CG2 3.94Å; A185-T188 WeakPolarHBondContact O-CG2 3.36Å; A186-T188 VanDerWaalsContact C-N 3.33Å; A186-T188 PolarHBondContact O-N 3.29Å; T188-V190 PolarHBondContact O-N 3.05Å; T188-V190 PolarHBondContact OG1-N 2.71Å; T188-V190 PolarHBondContact OG1-O 3.41Å
189G87Confident74.3Confident14 Ų1484 Ų8414%0.14447%0.468CS..SBendtrans71.67.9-170.900000114.9K13 G83 E187K13-G189 PolarHBondContact N-O 2.79Å; G83-G189 WeakPolarHBondContact O-CA 3.44Å; E187-G189 PolarHBondContact O-N 2.9Å
190V91.8Very high72Confident11 Ų1188 Ų887%0.06748%0.475CS..EExtended strand (participates in β ladder)trans-111127.2176.1177.50000109.4Y10 I11 F12 A85 I172 I176 L181 L183 T188Y10-V190 HydrophobicContact CD1-CG1 3.91Å; I11-V190 CarbonylContact O-C 3.48Å; I11-V190 WeakPolarHBondContact O-CA 3.11Å; F12-V190 HydrophobicContact CD1-CB 4.18Å; F12-V190 HydrophobicContact CD1-CG1 3.82Å; F12-V190 HydrophobicContact CD1-CG2 3.68Å; F12-V190 HydrophobicContact CE1-CB 4.26Å; F12-V190 HydrophobicContact CE1-CG1 3.55Å; F12-V190 HydrophobicContact CE1-CG2 3.81Å; A85-V190 HydrophobicContact CB-CG2 3.84Å; I172-V190 HydrophobicContact CG2-CG2 3.79Å; I176-V190 HydrophobicContact CD1-CG1 3.84Å; I176-V190 HydrophobicContact CD1-CG2 4.33Å; L181-V190 HydrophobicContact CD2-CB 4.44Å; L181-V190 HydrophobicContact CD2-CG2 3.68Å; L183-V190 HydrophobicContact CD2-CB 3.9Å; L183-V190 HydrophobicContact CD2-CG1 3.49Å; L183-V190 VanDerWaalsContact CD2-CG1 3.49Å; T188-V190 PolarHBondContact O-N 3.05Å; T188-V190 PolarHBondContact OG1-N 2.71Å; T188-V190 PolarHBondContact OG1-O 3.41Å
191Q90.8Very high69.8Low109 Ų10991.1 Ų91.151%0.50949%0.491SS..EExtended strand (participates in β ladder)trans-112.5122.6168.3-52.4176.211.300109Y10 I11Y10-Q191 CarbonylContact C-O 3.49Å; Y10-Q191 VanDerWaalsContact CA-O 3.28Å; Y10-Q191 WeakPolarHBondContact CA-O 3.44Å; I11-Q191 HydrophobicContact CB-CB 4.09Å; I11-Q191 HydrophobicContact CB-CG 4.48Å; I11-Q191 HydrophobicContact CD1-CB 4.43Å; I11-Q191 PolarHBondContact N-O 2.71Å; I11-Q191 PolarHBondContact O-N 2.72Å
192H88.6Confident67.6Low95 Ų9598.7 Ų98.744%0.4453%0.526SS..EExtended strand (participates in β ladder)trans-91.2125.8170.6180-125.6000109.7S9 Y10 L183 P194S9-H192 PolarHBondContact O-CD2 2.84Å; S9-H192 VanDerWaalsContact O-CD2 3.31Å; Y10-H192 HydrophobicContact CD1-CB 4.09Å; Y10-H192 AromaticContact CD1-CD2 3.91Å; Y10-H192 HydrophobicContact CE1-CB 3.89Å; Y10-H192 AromaticContact CE1-CD2 3.39Å; Y10-H192 WeakPolarHBondContact CE1-CD2 3.48Å; Y10-H192 AromaticContact CE1-CG 3.89Å; Y10-H192 AromaticContact CZ-CD2 3.6Å; L183-H192 HydrophobicContact CD1-CB 4.16Å; H192-P194 VanDerWaalsContact O-CD 3.32Å; H192-P194 WeakPolarHBondContact O-CD 3.27Å
193K80.4Confident65.5Low89 Ų8997.3 Ų97.339%0.38753%0.532SS..  trans-103.596.7171.7-69.9-166.7177.1-176.80108.2Y8 S9 H195Y8-K193 HydrophobicContact CD2-CD 4.34Å; Y8-K193 HydrophobicContact CE2-CD 3.64Å; Y8-K193 PolarHBondContact OH-NZ 2.83Å; S9-K193 PolarHBondContact O-N 2.97Å; K193-H195 PolarHBondContact O-N 2.93Å
194P63.8Low63.5Low92 Ų9299 Ų9960%0.59755%0.554SS**  trans-57.4131.7169.323.8-31.3000108H192 Q196H192-P194 VanDerWaalsContact O-CD 3.32Å; H192-P194 WeakPolarHBondContact O-CD 3.27Å; P194-Q196 PolarHBondContact O-N 2.8Å
195H59.2Low61.7Low115 Ų11598.3 Ų98.353%0.53256%0.555SS.*  trans-51.7119.5172.9-73.1-45.4000107.9N7 K193 A197N7-H195 PolarHBondContact ND2-CE1 3.25Å; N7-H195 PolarHBondContact OD1-CE1 3.43Å; N7-H195 PolarHBondContact OD1-ND1 2.88Å; N7-H195 VanDerWaalsContact OD1-ND1 3.15Å; K193-H195 PolarHBondContact O-N 2.93Å; H195-A197 PolarHBondContact O-N 3.23Å
196Q48.9Very low59.8Low190 Ų190104.6 Ų104.689%0.88858%0.577SS**  trans-6494158.3-71.7-175.51800104.8P194 R198P194-Q196 PolarHBondContact O-N 2.8Å; Q196-R198 PolarHBondContact O-N 2.63Å
197A44Very low58.1Low79 Ų79109.8 Ų109.865%0.65359%0.588SS**  trans-51.1113.6162.700000104.7H195 T199H195-A197 PolarHBondContact O-N 3.23Å; A197-T199 PolarHBondContact O-N 2.73Å
198R41.8Very low56.6Low221 Ų221114.3 Ų114.383%0.83461%0.607SS**  trans-54.2100.6168.7-95.5177.7164.4169.7-4.8105Q196 L200Q196-R198 PolarHBondContact O-N 2.63Å; R198-L200 PolarHBondContact O-N 2.78Å
199T37.9Very low54.6Low121 Ų121119.7 Ų119.774%0.74264%0.642SS**  trans-6395.6166.5-44.70000104.2A197 V201A197-T199 PolarHBondContact O-N 2.73Å; T199-V201 HydrophobicContact CG2-CG2 3.78Å; T199-V201 PolarHBondContact O-N 3.41Å
200L41.3Very low52.5Low141 Ų141125.2 Ų125.274%0.73868%0.676SS**  trans-64.186.3162.7-79.5162.9000104.9R198 Q202R198-L200 PolarHBondContact O-N 2.78Å; L200-Q202 PolarHBondContact O-N 3.14Å
201V39.4Very low50Low123 Ų123132 Ų13275%0.74571%0.713SS**  trans-71.375.8161.6-175.30000105.4T199 G203T199-V201 HydrophobicContact CG2-CG2 3.78Å; T199-V201 PolarHBondContact O-N 3.41Å; V201-G203 PolarHBondContact O-N 3.29Å
202Q38.9Very low48Very low168 Ų168136.9 Ų136.979%0.78576%0.756SS**  trans-7286.3154.5-78.5-177.8-16.500105.1L200 A204L200-Q202 PolarHBondContact O-N 3.14Å; Q202-A204 PolarHBondContact O-N 2.85Å
203G37.7Very low46Very low57 Ų57139 Ų13959%0.58877%0.772SS**  trans-61.888.2161.900000107.6V201 V205V201-G203 PolarHBondContact O-N 3.29Å; G203-V205 PolarHBondContact O-N 3.25Å
204A40.4Very low44.2Very low91 Ų91141.6 Ų141.675%0.75279%0.793SS**  trans-63.796.9158.200000105.7Q202 E206Q202-A204 PolarHBondContact O-N 2.85Å; A204-E206 VanDerWaalsContact C-N 3.26Å; A204-E206 PolarHBondContact O-N 3.42Å
205V42.4Very low43.1Very low133 Ų133144.4 Ų144.481%0.80680%0.803SS**  trans-67.793.7168.4177.80000106.1G203 Q207G203-V205 PolarHBondContact O-N 3.25Å; V205-Q207 PolarHBondContact O-N 3.04Å; V205-Q207 VanDerWaalsContact O-N 3.14Å
206E38.6Very low42.1Very low172 Ų172146.1 Ų146.180%0.80482%0.819SS**  trans-60.8110.4167-96.3179.9161.700108.7A204 K208A204-E206 VanDerWaalsContact C-N 3.26Å; A204-E206 PolarHBondContact O-N 3.42Å; E206-K208 PolarHBondContact O-N 3.08Å; E206-K208 VanDerWaalsContact O-N 3.07Å
207Q39.6Very low41.7Very low189 Ų189143.4 Ų143.488%0.88382%0.815SS**  trans-62.2103.9167-73.3175.9-1800108.8V205V205-Q207 PolarHBondContact O-N 3.04Å; V205-Q207 VanDerWaalsContact O-N 3.14Å
208K50.4Low41.6Very low182 Ų182147.7 Ų147.779%0.79183%0.826SS**PPolyproline II helixtrans-86.5128.9160.8-86.2-175.5177177.90109.4E206E206-K208 PolarHBondContact O-N 3.08Å; E206-K208 VanDerWaalsContact O-N 3.07Å
209P43.4Very low41.5Very low121 Ų121142.4 Ų142.479%0.78683%0.825SS**PPolyproline II helixtrans-75.1129.1176.530.1-31.5000109.8N211P209-N211 PolarHBondContact O-N 2.86Å
210C43.3Very low41.8Very low130 Ų130144.1 Ų144.188%0.87883%0.832SS**PPolyproline II helixtrans-73.2118.2170-73.40000109.3
211N40.1Very low41.9Very low155 Ų155144.3 Ų144.383%0.82984%0.839SS**  trans-111.1112.3159-92.6-4.1000106.8P209P209-N211 PolarHBondContact O-N 2.86Å
212C48.3Very low42.1Very low211 Ų211146.3 Ų146.3100%1.42685%0.848SS**  trans-178.40152.2-89.60000107.7

Retrieved 212 of 212 residues in 1325.1 ms (Link to these results)

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