A0A087YJB4_POEFO Loading...

Haloacid dehalogenase-like hydrolase domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087YJB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 243 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
1M45.9Very low81.6Confident229 Ų22970.9 Ų70.9100%1.12835%0.351SS*.  0141.10-67.5-169-177.700107.3R3M1-R3 PolarHBondContact O-N 3.33Å
2P49.5Very low83Confident125 Ų12566.2 Ų66.281%0.81233%0.328SS*.PPolyproline II helixtrans-60.6127.6173.824.9-30.5000109
3R58.5Low84.2Confident155 Ų15561.1 Ų61.159%0.58530%0.302SS*.PPolyproline II helixtrans-69.9141179.6-84.9176171.9179.4-0.9110.1M1 E243M1-R3 PolarHBondContact O-N 3.33Å; R3-E243 VanDerWaalsContact CB-OXT 3.24Å; R3-E243 WeakPolarHBondContact CB-OXT 3.18Å; R3-E243 VanDerWaalsContact CD-C 3.48Å; R3-E243 WeakPolarHBondContact CD-O 3.43Å; R3-E243 WeakPolarHBondContact CD-OXT 3.47Å; R3-E243 IonicContact CZ-OE2 3.77Å; R3-E243 IonicContact NH1-OE2 2.68Å; R3-E243 PolarHBondContact NH1-OE2 2.68Å; R3-E243 IonicContact NH2-OE2 4Å
4V70.2Confident85.1Confident64 Ų6463.4 Ų63.439%0.38831%0.31SS..PPolyproline II helixtrans-95.3125.5-173.3-165.30000108.3R185V4-R185 HydrophobicContact CB-CG 4.08Å; V4-R185 VanDerWaalsContact CG1-CD 3.42Å; V4-R185 HydrophobicContact CG1-CG 3.66Å; V4-R185 VanDerWaalsContact CG1-NE 3.32Å
5P85.9Confident85.9Confident56 Ų5662.6 Ų62.636%0.36431%0.308SS..PPolyproline II helixtrans-66.4140.2-173.425.2-34.4000111.3R185P5-R185 PolarHBondContact O-NE 3.16Å; P5-R185 VanDerWaalsContact O-NE 3.12Å
6L95.3Very high86.7Confident5 Ų558.7 Ų58.73%0.02629%0.288CS..PPolyproline II helixtrans-53.9144.9170.6-72.6178.8000111L128 L237 L240 M241L6-L128 HydrophobicContact CB-CD2 3.89Å; L6-L237 HydrophobicContact CD1-CB 4.37Å; L6-L237 HydrophobicContact CD1-CD2 3.88Å; L6-L240 HydrophobicContact CD1-CB 3.74Å; L6-L240 HydrophobicContact CD1-CD1 3.96Å; L6-L240 HydrophobicContact CG-CB 4.28Å; L6-M241 HydrophobicContact CB-CG 3.96Å; L6-M241 HydrophobicContact CD1-CG 4.42Å; L6-M241 HydrophobicContact CG-CG 4.44Å
7R97.1Very high87.4Confident128 Ų12855.2 Ų55.248%0.48327%0.271SS..  trans-127-25.1178.4-66.9-64.5-177.6162.5-2.1113.1K129 R185R7-K129 PolarHBondContact O-N 3.38Å; R7-R185 PolarHBondContact N-O 3.45Å
8W98.6Very high88Confident17 Ų1752.2 Ų52.26%0.06426%0.256CS..EExtended strand (participates in β ladder)trans-135.6147.2-172.8-70.891.2000112.2K129 F155 C179 R185 V186 A187W8-K129 CarbonylContact C-O 3.54Å; W8-K129 VanDerWaalsContact CA-O 3.26Å; W8-K129 WeakPolarHBondContact CA-O 3.48Å; W8-K129 HydrophobicContact CD2-CB 3.6Å; W8-K129 HydrophobicContact CD2-CD 4.47Å; W8-K129 HydrophobicContact CE3-CB 3.39Å; W8-K129 HydrophobicContact CG-CB 4.42Å; W8-K129 HydrophobicContact CH2-CB 3.69Å; W8-K129 HydrophobicContact CH2-CD 3.67Å; W8-K129 HydrophobicContact CH2-CG 4.34Å; W8-K129 HydrophobicContact CZ2-CB 3.9Å; W8-K129 HydrophobicContact CZ2-CD 3.4Å; W8-K129 HydrophobicContact CZ2-CG 4.31Å; W8-K129 HydrophobicContact CZ3-CB 3.43Å; W8-K129 VanDerWaalsContact CZ3-CB 3.43Å; W8-K129 HydrophobicContact CZ3-CD 4.31Å; W8-F155 HydrophobicContact CE3-CE1 4.08Å; W8-F155 HydrophobicContact CH2-CD1 4.09Å; W8-F155 AromaticContact CH2-CE1 3.86Å; W8-F155 HydrophobicContact CH2-CE1 3.86Å; W8-F155 AromaticContact CZ3-CD1 3.92Å; W8-F155 HydrophobicContact CZ3-CD1 3.92Å; W8-F155 AromaticContact CZ3-CE1 3.51Å; W8-F155 HydrophobicContact CZ3-CE1 3.51Å; W8-C179 HydrophobicContact CD2-CB 4.02Å; W8-C179 HydrophobicContact CG-CB 4Å; W8-C179 HydrophobicContact CZ2-CB 4.41Å; W8-C179 PolarHBondContact NE1-O 3Å; W8-R185 PolarHBondContact N-O 3.18Å; W8-V186 HydrophobicContact CB-CB 4.39Å; W8-V186 HydrophobicContact CB-CG1 4Å; W8-V186 HydrophobicContact CB-CG2 4.06Å; W8-A187 PolarHBondContact O-N 3.02Å
9V98.7Very high88.5Confident1 Ų153.1 Ų53.11%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-123.2122.3162.6-169.90000108W11 L128 K129 L130 G131 A187 V189 L237V9-W11 HydrophobicContact CG1-CD2 4.45Å; V9-W11 HydrophobicContact CG1-CZ2 3.95Å; V9-W11 VanDerWaalsContact O-CD1 3.25Å; V9-W11 PolarHBondContact O-NE1 3.42Å; V9-L128 HydrophobicContact CG2-CB 4.15Å; V9-L128 HydrophobicContact CG2-CD1 3.57Å; V9-L128 HydrophobicContact CG2-CG 4.37Å; V9-K129 PolarHBondContact N-O 3.4Å; V9-L130 HydrophobicContact CB-CD2 4.09Å; V9-L130 HydrophobicContact CG2-CD2 4.41Å; V9-L130 WeakPolarHBondContact O-CA 3.5Å; V9-G131 PolarHBondContact O-N 2.98Å; V9-A187 CarbonylContact C-O 3.56Å; V9-A187 WeakPolarHBondContact CA-O 3.32Å; V9-V189 HydrophobicContact CG1-CG1 4.25Å; V9-L237 HydrophobicContact CG1-CD1 4.35Å; V9-L237 HydrophobicContact CG2-CD1 3.52Å; V9-L237 HydrophobicContact CG2-CD2 4.31Å
10L98.9Very high88.9Confident0 Ų051.9 Ų51.90%026%0.255CS..EExtended strand (participates in β ladder)trans-93.7142.8172.1-56.5-178.9000109.2G131 V133 F155 A175 V186 A187 H188 V189 I205L10-G131 CarbonylContact C-O 3.55Å; L10-G131 VanDerWaalsContact CA-O 3.3Å; L10-G131 WeakPolarHBondContact CA-O 3.42Å; L10-V133 HydrophobicContact CB-CG2 4.24Å; L10-V133 HydrophobicContact CD1-CG2 3.97Å; L10-V133 HydrophobicContact CD2-CG2 4.44Å; L10-V133 HydrophobicContact CG-CG2 4.45Å; L10-F155 HydrophobicContact CD2-CE2 4.22Å; L10-F155 HydrophobicContact CD2-CZ 3.64Å; L10-A175 HydrophobicContact CD1-CB 3.92Å; L10-V186 HydrophobicContact CD1-CG1 3.7Å; L10-V186 HydrophobicContact CG-CG1 3.68Å; L10-A187 PolarHBondContact N-O 3.18Å; L10-H188 HydrophobicContact CB-CB 4.2Å; L10-H188 WeakPolarHBondContact CB-ND1 3.46Å; L10-H188 CarbonylContact O-C 3.53Å; L10-H188 VanDerWaalsContact O-CA 3.31Å; L10-H188 WeakPolarHBondContact O-CA 3.35Å; L10-H188 PolarHBondContact O-ND1 3.36Å; L10-V189 PolarHBondContact O-N 2.89Å; L10-I205 HydrophobicContact CD1-CD1 4.25Å
11W98.9Very high89.3Confident0 Ų054.9 Ų54.90%026%0.263CS..EExtended strand (participates in β ladder)trans-126.6132.1-173.4-6378.1000110V9 T16 L17 A119 L120 C123 G131 V132 V133 F153 V189 L230 L233V9-W11 HydrophobicContact CG1-CD2 4.45Å; V9-W11 HydrophobicContact CG1-CZ2 3.95Å; V9-W11 VanDerWaalsContact O-CD1 3.25Å; V9-W11 PolarHBondContact O-NE1 3.42Å; W11-T16 HydrophobicContact CE3-CG2 4.46Å; W11-L17 HydrophobicContact CB-CD1 4.21Å; W11-L17 HydrophobicContact CD2-CD1 4.38Å; W11-L17 HydrophobicContact CE3-CD1 4.02Å; W11-L17 HydrophobicContact CE3-CD2 3.75Å; W11-L17 HydrophobicContact CE3-CG 4.03Å; W11-L17 HydrophobicContact CG-CD1 4.48Å; W11-L17 HydrophobicContact CZ3-CD2 3.79Å; W11-A119 HydrophobicContact CH2-CB 4.17Å; W11-L120 HydrophobicContact CD2-CD2 3.9Å; W11-L120 HydrophobicContact CE3-CD2 4.26Å; W11-L120 HydrophobicContact CG-CD2 4.4Å; W11-L120 HydrophobicContact CH2-CD2 4.19Å; W11-L120 HydrophobicContact CZ2-CD2 3.84Å; W11-L120 HydrophobicContact CZ3-CD2 4.39Å; W11-C123 HydrophobicContact CZ2-CB 4.39Å; W11-G131 PolarHBondContact N-O 3.11Å; W11-V132 WeakPolarHBondContact O-CA 3.24Å; W11-V133 PolarHBondContact O-N 3.49Å; W11-F153 HydrophobicContact CB-CE1 4.1Å; W11-F153 AromaticContact CD1-CE1 3.75Å; W11-F153 AromaticContact CG-CE1 3.92Å; W11-F153 HydrophobicContact CG-CE1 3.92Å; W11-V189 HydrophobicContact CD2-CG1 3.55Å; W11-V189 HydrophobicContact CE3-CG1 3.28Å; W11-V189 HydrophobicContact CG-CG1 4.17Å; W11-V189 HydrophobicContact CH2-CG1 4.15Å; W11-V189 HydrophobicContact CZ2-CG1 4.35Å; W11-V189 HydrophobicContact CZ3-CG1 3.62Å; W11-L230 HydrophobicContact CH2-CD2 4.46Å; W11-L230 HydrophobicContact CZ3-CD1 4.11Å; W11-L230 HydrophobicContact CZ3-CD2 3.76Å; W11-L233 HydrophobicContact CH2-CD2 3.38Å; W11-L233 HydrophobicContact CZ2-CD2 3.83Å; W11-L233 HydrophobicContact CZ3-CD2 3.96Å
12D98.8Very high91.6Very high14 Ų1446.7 Ų46.78%0.07524%0.237CC..  trans-73.1164.9150.8-156.92.8000110.3T16 S134 K166 V189D12-T16 WeakPolarHBondContact O-CB 3.48Å; D12-T16 WeakPolarHBondContact O-CG2 3.32Å; D12-S134 WeakPolarHBondContact OD1-CA 3.06Å; D12-S134 WeakPolarHBondContact OD1-CB 3.46Å; D12-S134 PolarHBondContact OD1-OG 3.43Å; D12-K166 IonicContact OD1-NZ 3.21Å; D12-K166 PolarHBondContact OD1-NZ 3.01Å; D12-K166 IonicContact OD2-NZ 2.64Å; D12-K166 PolarHBondContact OD2-NZ 3.27Å; D12-V189 PolarHBondContact N-O 3.22Å
13I98.5Very high93.8Very high0 Ų042.1 Ų42.10%021%0.209CC..  trans-114.6-60.4-174.1-57.9-53.8000112.5D15 T16 L17 L18 V132 L140 L144 F153I13-D15 PolarHBondContact O-N 3.21Å; I13-T16 PolarHBondContact O-N 3.36Å; I13-L17 HydrophobicContact CD1-CD1 3.76Å; I13-L17 PolarHBondContact O-N 3.49Å; I13-L18 HydrophobicContact CG2-CD1 3.82Å; I13-L18 HydrophobicContact CG2-CD2 3.62Å; I13-L18 HydrophobicContact CG2-CG 3.53Å; I13-L18 PolarHBondContact O-N 3.07Å; I13-L18 VanDerWaalsContact O-N 3.08Å; I13-V132 HydrophobicContact CD1-CB 4.32Å; I13-V132 HydrophobicContact CD1-CG1 3.65Å; I13-V132 HydrophobicContact CD1-CG2 3.73Å; I13-V132 HydrophobicContact CG1-CG1 3.42Å; I13-V132 VanDerWaalsContact CG1-CG1 3.42Å; I13-V132 HydrophobicContact CG1-CG2 4.41Å; I13-L140 HydrophobicContact CB-CD1 4.13Å; I13-L140 HydrophobicContact CG1-CD1 4.1Å; I13-L140 HydrophobicContact CG1-CD2 3.99Å; I13-L140 HydrophobicContact CG1-CG 4.49Å; I13-L140 HydrophobicContact CG2-CD1 3.86Å; I13-L144 HydrophobicContact CD1-CD1 4.31Å; I13-L144 HydrophobicContact CD1-CD2 3.96Å; I13-L144 HydrophobicContact CG1-CD1 4.47Å; I13-L144 HydrophobicContact CG1-CD2 4.33Å; I13-L144 HydrophobicContact CG2-CD2 3.93Å; I13-F153 HydrophobicContact CD1-CZ 4.34Å
14K96.9Very high95.6Very high93 Ų9335.8 Ų35.840%0.40419%0.187SC..BIsolated β-bridgetrans-68132.4-175.1-176.5178.1172.4-70.10109.1T16 L18 F136 D191K14-T16 PolarHBondContact O-N 3.45Å; K14-L18 CarbonylContact C-O 3.46Å; K14-L18 WeakPolarHBondContact CA-O 3.22Å; K14-F136 HydrophobicContact CB-CE2 4.31Å; K14-D191 VanDerWaalsContact O-OD1 3.11Å
15D96.6Very high96.9Very high52 Ų5232.8 Ų32.828%0.27817%0.169SC..THydrogen-bonded Turntrans60.5-7.2-176.6-57.9-40.2000115.3I13 L18 K19 F113 D191 R212I13-D15 PolarHBondContact O-N 3.21Å; D15-L18 PolarHBondContact N-O 2.93Å; D15-K19 WeakPolarHBondContact OD1-CB 3.5Å; D15-F113 WeakPolarHBondContact O-CE2 3.41Å; D15-D191 WeakPolarHBondContact CB-OD2 3.38Å; D15-R212 PolarHBondContact O-NE 3.3Å
16T98.3Very high97.4Very high0 Ų033 Ų330%017%0.167CC..THydrogen-bonded Turntrans-90-63.2168.3-59.20000112.2W11 D12 I13 K14 G190 D191 L210 R212W11-T16 HydrophobicContact CE3-CG2 4.46Å; D12-T16 WeakPolarHBondContact O-CB 3.48Å; D12-T16 WeakPolarHBondContact O-CG2 3.32Å; I13-T16 PolarHBondContact O-N 3.36Å; K14-T16 PolarHBondContact O-N 3.45Å; T16-G190 WeakPolarHBondContact OG1-CA 3.38Å; T16-D191 PolarHBondContact OG1-N 2.84Å; T16-D191 PolarHBondContact OG1-OD1 3.37Å; T16-D191 VanDerWaalsContact OG1-OD1 3.06Å; T16-L210 HydrophobicContact CG2-CD2 4.05Å; T16-R212 PolarHBondContact O-NH2 3.44Å
17L98.7Very high97.6Very high0 Ų033.4 Ų33.40%017%0.168CC..THydrogen-bonded Turntrans-106.2-26-177.9-68.8174.5000113.6W11 I13 F113 S116 L120 F153 L230W11-L17 HydrophobicContact CB-CD1 4.21Å; W11-L17 HydrophobicContact CD2-CD1 4.38Å; W11-L17 HydrophobicContact CE3-CD1 4.02Å; W11-L17 HydrophobicContact CE3-CD2 3.75Å; W11-L17 HydrophobicContact CE3-CG 4.03Å; W11-L17 HydrophobicContact CG-CD1 4.48Å; W11-L17 HydrophobicContact CZ3-CD2 3.79Å; I13-L17 HydrophobicContact CD1-CD1 3.76Å; I13-L17 PolarHBondContact O-N 3.49Å; L17-F113 PolarHBondContact O-N 3.16Å; L17-S116 WeakPolarHBondContact CA-OG 3.32Å; L17-S116 PolarHBondContact O-OG 2.77Å; L17-L120 HydrophobicContact CD1-CD1 4.3Å; L17-L120 HydrophobicContact CD1-CD2 4.21Å; L17-L120 HydrophobicContact CD2-CD1 4.32Å; L17-L120 HydrophobicContact CD2-CD2 4.4Å; L17-L120 HydrophobicContact CD2-CG 4.28Å; L17-F153 HydrophobicContact CD1-CE1 4.47Å; L17-F153 HydrophobicContact CD1-CE2 4.48Å; L17-F153 HydrophobicContact CD1-CZ 3.63Å; L17-L230 HydrophobicContact CD2-CD1 3.68Å
18L98.3Very high97.6Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-153157.9178.457.389.3000111.1I13 K14 D15 W110 E111 V112 L144 L149I13-L18 HydrophobicContact CG2-CD1 3.82Å; I13-L18 HydrophobicContact CG2-CD2 3.62Å; I13-L18 HydrophobicContact CG2-CG 3.53Å; I13-L18 PolarHBondContact O-N 3.07Å; I13-L18 VanDerWaalsContact O-N 3.08Å; K14-L18 CarbonylContact C-O 3.46Å; K14-L18 WeakPolarHBondContact CA-O 3.22Å; D15-L18 PolarHBondContact N-O 2.93Å; L18-W110 HydrophobicContact CD1-CD2 3.87Å; L18-W110 HydrophobicContact CD1-CE3 3.18Å; L18-W110 HydrophobicContact CD1-CG 4.47Å; L18-W110 HydrophobicContact CD1-CZ3 3.59Å; L18-E111 CarbonylContact C-O 3.6Å; L18-E111 WeakPolarHBondContact CA-O 3.22Å; L18-E111 WeakPolarHBondContact CB-O 3.35Å; L18-V112 HydrophobicContact CB-CG2 4.38Å; L18-L144 HydrophobicContact CD2-CD2 4.01Å; L18-L149 HydrophobicContact CD2-CD1 3.92Å
19K97.5Very high97.6Very high70 Ų7026.9 Ų26.930%0.30415%0.145SC..EExtended strand (participates in β ladder)trans-134.5165.5175.262.6175.2179.7-179.70110.6D15 R21 W110 E111 F113D15-K19 WeakPolarHBondContact OD1-CB 3.5Å; K19-R21 PolarHBondContact O-N 3.29Å; K19-W110 CarbonylContact O-C 3.47Å; K19-W110 WeakPolarHBondContact O-CA 3.04Å; K19-E111 WeakPolarHBondContact CE-OE2 3.49Å; K19-E111 HydrophobicContact CG-CB 4.17Å; K19-E111 PolarHBondContact N-O 3.38Å; K19-E111 IonicContact NZ-OE2 3.48Å; K19-E111 PolarHBondContact O-N 3.4Å; K19-F113 HydrophobicContact CB-CE2 4.13Å; K19-F113 HydrophobicContact CB-CZ 3.96Å; K19-F113 HydrophobicContact CD-CE1 3.91Å; K19-F113 HydrophobicContact CD-CZ 3.72Å; K19-F113 HydrophobicContact CG-CE1 4.37Å; K19-F113 HydrophobicContact CG-CE2 4.26Å; K19-F113 HydrophobicContact CG-CZ 3.89Å
20V96.8Very high97.5Very high29 Ų2932.6 Ų32.618%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-62.8134.6170176.80000108.7G22 F104 W110V20-G22 PolarHBondContact O-N 3.3Å; V20-F104 HydrophobicContact CG1-CE1 4.1Å; V20-W110 HydrophobicContact CG2-CE3 4.16Å; V20-W110 HydrophobicContact CG2-CH2 3.91Å; V20-W110 HydrophobicContact CG2-CZ3 3.64Å
21R96.8Very high97.5Very high114 Ų11432.8 Ų32.843%0.4317%0.171SC..SBendtrans-78.1111.7179.2179.9178.6-58-72.9-4.1110.2K19 H27 E108 K109 W110 E111K19-R21 PolarHBondContact O-N 3.29Å; R21-H27 PolarHBondContact O-CE1 3.39Å; R21-H27 VanDerWaalsContact O-CE1 3.27Å; R21-H27 PolarHBondContact O-NE2 2.89Å; R21-E108 VanDerWaalsContact CD-O 3.31Å; R21-E108 WeakPolarHBondContact CD-O 3.49Å; R21-E108 PolarHBondContact NE-O 3.05Å; R21-K109 PolarHBondContact N-O 2.89Å; R21-W110 PolarHBondContact NE-O 3.24Å; R21-W110 PolarHBondContact NH2-O 3.28Å; R21-E111 HydrophobicContact CB-CB 4.37Å
22G95.1Very high97.4Very high57 Ų5732.8 Ų32.859%0.58817%0.171SC*.SBendtrans73.7-149.7-172.900000110.4V20V20-G22 PolarHBondContact O-N 3.3Å
23S95.8Very high97.4Very high30 Ų3037.4 Ų37.421%0.2119%0.192CC..  trans-107159.7-179.175.30000113.1G25 D26 H27 N45S23-G25 PolarHBondContact O-N 2.98Å; S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 2.65Å; S23-D26 PolarHBondContact O-N 3.04Å; S23-D26 PolarHBondContact OG-N 2.54Å; S23-D26 VanDerWaalsContact OG-N 3.16Å; S23-D26 PolarHBondContact OG-OD2 3.18Å; S23-H27 PolarHBondContact O-CD2 3.36Å; S23-H27 PolarHBondContact O-N 3.02Å; S23-N45 WeakPolarHBondContact CB-ND2 3.32Å; S23-N45 PolarHBondContact OG-ND2 3.26Å
24V95.7Very high97.3Very high22 Ų2245.1 Ų45.113%0.13322%0.221CC..Hα-helixtrans-58.9-41.4173.2175.70000110.6D26 H27 Y28 N45 F48V24-D26 VanDerWaalsContact C-N 3.32Å; V24-D26 PolarHBondContact O-N 3.24Å; V24-H27 PolarHBondContact O-N 3.12Å; V24-H27 VanDerWaalsContact O-N 3.14Å; V24-Y28 HydrophobicContact CG1-CD1 3.76Å; V24-Y28 HydrophobicContact CG1-CE1 3.35Å; V24-Y28 HydrophobicContact CG1-CE2 4.5Å; V24-Y28 HydrophobicContact CG1-CG 4.47Å; V24-Y28 VanDerWaalsContact O-CD1 3.23Å; V24-Y28 WeakPolarHBondContact O-CD1 3.39Å; V24-Y28 PolarHBondContact O-N 3.28Å; V24-N45 PolarHBondContact N-OD1 3.13Å; V24-F48 HydrophobicContact CB-CD1 4.15Å; V24-F48 HydrophobicContact CB-CE1 4.37Å; V24-F48 HydrophobicContact CB-CG 4.31Å; V24-F48 HydrophobicContact CG1-CB 4.35Å; V24-F48 HydrophobicContact CG1-CD1 4.09Å; V24-F48 HydrophobicContact CG1-CD2 3.78Å; V24-F48 HydrophobicContact CG1-CE1 4.37Å; V24-F48 HydrophobicContact CG1-CE2 4.07Å; V24-F48 HydrophobicContact CG1-CG 3.79Å; V24-F48 HydrophobicContact CG1-CZ 4.36Å; V24-F48 HydrophobicContact CG2-CD1 4.19Å; V24-F48 HydrophobicContact CG2-CE1 3.91Å; V24-F48 HydrophobicContact CG2-CZ 4.16Å
25G97.8Very high97.3Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-59.7-37.1176.400000113.7S23 H27 Y28 S29 P41 N45S23-G25 PolarHBondContact O-N 2.98Å; G25-H27 VanDerWaalsContact C-N 3.32Å; G25-H27 PolarHBondContact O-N 3.22Å; G25-Y28 PolarHBondContact O-N 3.27Å; G25-S29 VanDerWaalsContact O-CB 3.28Å; G25-S29 WeakPolarHBondContact O-CB 3.42Å; G25-S29 PolarHBondContact O-N 3.02Å; G25-P41 WeakPolarHBondContact CA-O 3.46Å; G25-N45 PolarHBondContact N-OD1 3.09Å
26D97.5Very high97.3Very high60 Ų6047.2 Ų47.232%0.32125%0.245SC..Hα-helixtrans-64.2-40175.6-61.1-47.8000111.4S23 V24 K30 P41S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 2.65Å; S23-D26 PolarHBondContact O-N 3.04Å; S23-D26 PolarHBondContact OG-N 2.54Å; S23-D26 VanDerWaalsContact OG-N 3.16Å; S23-D26 PolarHBondContact OG-OD2 3.18Å; V24-D26 VanDerWaalsContact C-N 3.32Å; V24-D26 PolarHBondContact O-N 3.24Å; D26-K30 VanDerWaalsContact O-CG 3.28Å; D26-K30 WeakPolarHBondContact O-CG 3.13Å; D26-K30 PolarHBondContact O-N 2.94Å; D26-P41 WeakPolarHBondContact OD1-CB 3.34Å
27H97.9Very high97.2Very high14 Ų1449.7 Ų49.77%0.06526%0.258CS..Hα-helixtrans-69.3-41.4178.6-65.4-54.9000112.3R21 S23 V24 G25 K30 E31 F104R21-H27 PolarHBondContact O-CE1 3.39Å; R21-H27 VanDerWaalsContact O-CE1 3.27Å; R21-H27 PolarHBondContact O-NE2 2.89Å; S23-H27 PolarHBondContact O-CD2 3.36Å; S23-H27 PolarHBondContact O-N 3.02Å; V24-H27 PolarHBondContact O-N 3.12Å; V24-H27 VanDerWaalsContact O-N 3.14Å; G25-H27 VanDerWaalsContact C-N 3.32Å; G25-H27 PolarHBondContact O-N 3.22Å; H27-K30 PolarHBondContact O-N 2.79Å; H27-E31 PolarHBondContact O-N 3.23Å; H27-E31 VanDerWaalsContact O-N 3.13Å; H27-F104 HydrophobicContact CB-CZ 4.06Å; H27-F104 AromaticContact CD2-CE1 3.88Å; H27-F104 AromaticContact CD2-CZ 3.79Å
28Y98.2Very high97.1Very high2 Ų255.5 Ų55.51%0.00830%0.298CS..Hα-helixtrans-70.5-39.1179.4-79.742.1000111.3V24 G25 K30 E31 A32 I44 M78 T81 L82 L100 F104V24-Y28 HydrophobicContact CG1-CD1 3.76Å; V24-Y28 HydrophobicContact CG1-CE1 3.35Å; V24-Y28 HydrophobicContact CG1-CE2 4.5Å; V24-Y28 HydrophobicContact CG1-CG 4.47Å; V24-Y28 VanDerWaalsContact O-CD1 3.23Å; V24-Y28 WeakPolarHBondContact O-CD1 3.39Å; V24-Y28 PolarHBondContact O-N 3.28Å; G25-Y28 PolarHBondContact O-N 3.27Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.24Å; Y28-E31 PolarHBondContact O-N 3.33Å; Y28-A32 WeakPolarHBondContact O-CB 3.25Å; Y28-A32 PolarHBondContact O-N 3.19Å; Y28-I44 HydrophobicContact CD2-CG2 3.71Å; Y28-I44 HydrophobicContact CG-CG2 3.93Å; Y28-M78 HydrophobicContact CE1-CG 4.3Å; Y28-M78 HydrophobicContact CE2-CB 4.28Å; Y28-M78 HydrophobicContact CE2-CG 4.24Å; Y28-M78 WeakPolarHBondContact OH-CG 3.47Å; Y28-T81 HydrophobicContact CD2-CG2 4.07Å; Y28-T81 HydrophobicContact CE2-CG2 3.82Å; Y28-L82 HydrophobicContact CD2-CD2 4.02Å; Y28-L82 HydrophobicContact CD2-CG 4.07Å; Y28-L100 HydrophobicContact CD1-CD1 3.63Å; Y28-L100 HydrophobicContact CD1-CD2 3.67Å; Y28-L100 HydrophobicContact CD1-CG 4.24Å; Y28-L100 HydrophobicContact CD2-CD1 3.85Å; Y28-L100 HydrophobicContact CE1-CD1 3.82Å; Y28-L100 HydrophobicContact CE1-CD2 4.13Å; Y28-L100 HydrophobicContact CE1-CG 4.42Å; Y28-L100 HydrophobicContact CE2-CD1 4.03Å; Y28-L100 HydrophobicContact CG-CD1 3.68Å; Y28-L100 HydrophobicContact CG-CD2 4.29Å; Y28-F104 AromaticContact CE1-CE2 3.96Å; Y28-F104 HydrophobicContact CE1-CE2 3.96Å; Y28-F104 HydrophobicContact CE1-CZ 4.42Å
29S98.1Very high97Very high7 Ų756.6 Ų56.65%0.04930%0.304CS..Hα-helixtrans-57-47.9173.3-176.30000110.9G25 E31 A32 E33 L39G25-S29 VanDerWaalsContact O-CB 3.28Å; G25-S29 WeakPolarHBondContact O-CB 3.42Å; G25-S29 PolarHBondContact O-N 3.02Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.05Å; S29-A32 WeakPolarHBondContact O-CB 3.43Å; S29-A32 PolarHBondContact O-N 2.64Å; S29-A32 VanDerWaalsContact O-N 3.13Å; S29-E33 VanDerWaalsContact O-CG 3.32Å; S29-E33 WeakPolarHBondContact O-CG 3.12Å; S29-E33 PolarHBondContact O-N 3.35Å; S29-E33 PolarHBondContact OG-OE1 3.37Å; S29-E33 VanDerWaalsContact OG-OE1 3.12Å; S29-L39 PolarHBondContact OG-O 3.17Å
30K97.6Very high97Very high121 Ų12158.8 Ų58.853%0.52632%0.315SS..Hα-helixtrans-62.1-36.1177.9-74.3172.5-178.2177.60113.3D26 H27 Y28D26-K30 VanDerWaalsContact O-CG 3.28Å; D26-K30 WeakPolarHBondContact O-CG 3.13Å; D26-K30 PolarHBondContact O-N 2.94Å; H27-K30 PolarHBondContact O-N 2.79Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.24Å
31E97.9Very high97.1Very high3 Ų358.9 Ų58.91%0.01432%0.317CS..Hα-helixtrans-68.2-45.3173178.260.8-163.500110.6H27 Y28 S29 E33 R34 W35 M96 N99 L100H27-E31 PolarHBondContact O-N 3.23Å; H27-E31 VanDerWaalsContact O-N 3.13Å; Y28-E31 PolarHBondContact O-N 3.33Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.05Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 3.26Å; E31-R34 WeakPolarHBondContact O-CB 3.49Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-R34 WeakPolarHBondContact OE2-CD 3.38Å; E31-R34 IonicContact OE2-CZ 3.69Å; E31-R34 IonicContact OE2-NE 3.86Å; E31-R34 IonicContact OE2-NH1 2.84Å; E31-R34 PolarHBondContact OE2-NH1 3.35Å; E31-W35 VanDerWaalsContact O-CD1 3.24Å; E31-W35 PolarHBondContact OE1-NE1 2.85Å; E31-M96 HydrophobicContact CG-CB 3.97Å; E31-M96 HydrophobicContact CG-CG 3.95Å; E31-M96 HydrophobicContact CG-SD 4.5Å; E31-N99 WeakPolarHBondContact OE1-CB 3.35Å; E31-N99 PolarHBondContact OE1-ND2 2.8Å; E31-L100 HydrophobicContact CB-CD2 3.83Å; E31-L100 HydrophobicContact CB-CG 4.11Å; E31-L100 HydrophobicContact CG-CD2 4.35Å; E31-L100 HydrophobicContact CG-CG 4.09Å
32A97.7Very high97.2Very high0 Ų056.3 Ų56.30%032%0.32CS..Hα-helixtrans-59.5-38.7178.300000112.5Y28 S29 R34 W35 G36 L37 L39 M96Y28-A32 WeakPolarHBondContact O-CB 3.25Å; Y28-A32 PolarHBondContact O-N 3.19Å; S29-A32 WeakPolarHBondContact O-CB 3.43Å; S29-A32 PolarHBondContact O-N 2.64Å; S29-A32 VanDerWaalsContact O-N 3.13Å; A32-R34 VanDerWaalsContact C-N 3.27Å; A32-R34 PolarHBondContact O-N 2.79Å; A32-W35 CarbonylContact O-C 3.52Å; A32-W35 WeakPolarHBondContact O-CA 3.45Å; A32-W35 PolarHBondContact O-N 3.24Å; A32-G36 PolarHBondContact O-N 2.94Å; A32-L37 CarbonylContact C-O 3.51Å; A32-L37 HydrophobicContact CB-CB 3.98Å; A32-L37 HydrophobicContact CB-CD1 4.49Å; A32-L37 WeakPolarHBondContact O-CB 3.19Å; A32-L37 PolarHBondContact O-N 3.35Å; A32-L39 HydrophobicContact CB-CB 4.46Å; A32-L39 HydrophobicContact CB-CD1 3.7Å; A32-L39 HydrophobicContact CB-CG 4Å; A32-M96 HydrophobicContact CB-SD 4.41Å
33E97.8Very high97.3Very high112 Ų11259.8 Ų59.852%0.52332%0.32SS..Hα-helixtrans-58.8-34.7175.7-76.5163.6-153.600112.8S29 E31 W35 G36 L37S29-E33 VanDerWaalsContact O-CG 3.32Å; S29-E33 WeakPolarHBondContact O-CG 3.12Å; S29-E33 PolarHBondContact O-N 3.35Å; S29-E33 PolarHBondContact OG-OE1 3.37Å; S29-E33 VanDerWaalsContact OG-OE1 3.12Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 3.26Å; E33-W35 PolarHBondContact O-N 3.32Å; E33-G36 PolarHBondContact O-N 3.29Å; E33-L37 WeakPolarHBondContact CA-O 3.35Å; E33-L37 PolarHBondContact N-O 3.03Å
34R96.8Very high97.4Very high162 Ų16258.4 Ų58.461%0.61131%0.311SS*.Hα-helixtrans-63.3-21.8175.9-65.3169.3174.6177.6-6.8112.7E31 A32 D103E31-R34 WeakPolarHBondContact O-CB 3.49Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 VanDerWaalsContact O-N 3.11Å; E31-R34 WeakPolarHBondContact OE2-CD 3.38Å; E31-R34 IonicContact OE2-CZ 3.69Å; E31-R34 IonicContact OE2-NE 3.86Å; E31-R34 IonicContact OE2-NH1 2.84Å; E31-R34 PolarHBondContact OE2-NH1 3.35Å; A32-R34 VanDerWaalsContact C-N 3.27Å; A32-R34 PolarHBondContact O-N 2.79Å; R34-D103 IonicContact NH1-OD2 3.88Å
35W96.3Very high97.5Very high117 Ų11758.9 Ų58.944%0.44331%0.313SS..THydrogen-bonded Turntrans-103.913.2178.2-60.299.1000112.8E31 A32 E33 L37 L92 T95 M96E31-W35 VanDerWaalsContact O-CD1 3.24Å; E31-W35 PolarHBondContact OE1-NE1 2.85Å; A32-W35 CarbonylContact O-C 3.52Å; A32-W35 WeakPolarHBondContact O-CA 3.45Å; A32-W35 PolarHBondContact O-N 3.24Å; E33-W35 PolarHBondContact O-N 3.32Å; W35-L37 VanDerWaalsContact C-N 3.27Å; W35-L37 PolarHBondContact O-N 3.22Å; W35-L92 HydrophobicContact CB-CD1 3.92Å; W35-L92 HydrophobicContact CD2-CD1 3.42Å; W35-L92 VanDerWaalsContact CD2-CD1 3.42Å; W35-L92 HydrophobicContact CE3-CD1 3.58Å; W35-L92 HydrophobicContact CG-CD1 3.56Å; W35-L92 HydrophobicContact CZ3-CD1 4.27Å; W35-T95 HydrophobicContact CH2-CG2 3.84Å; W35-T95 HydrophobicContact CZ2-CG2 3.45Å; W35-T95 VanDerWaalsContact CZ2-CG2 3.45Å; W35-M96 VanDerWaalsContact CD1-CG 3.47Å; W35-M96 HydrophobicContact CG-CG 4.3Å; W35-M96 HydrophobicContact CG-SD 4.33Å
36G96.7Very high97.5Very high72 Ų7261.6 Ų61.674%0.74234%0.335SS*.THydrogen-bonded Turntrans7415178.900000114.3A32 E33A32-G36 PolarHBondContact O-N 2.94Å; E33-G36 PolarHBondContact O-N 3.29Å
37L97.1Very high97.6Very high51 Ų5159.3 Ų59.327%0.26733%0.325SS..  trans-93.6140.1176.1-59174.2000110.1A32 E33 W35 L39 V87 L92 M96A32-L37 CarbonylContact C-O 3.51Å; A32-L37 HydrophobicContact CB-CB 3.98Å; A32-L37 HydrophobicContact CB-CD1 4.49Å; A32-L37 WeakPolarHBondContact O-CB 3.19Å; A32-L37 PolarHBondContact O-N 3.35Å; E33-L37 WeakPolarHBondContact CA-O 3.35Å; E33-L37 PolarHBondContact N-O 3.03Å; W35-L37 VanDerWaalsContact C-N 3.27Å; W35-L37 PolarHBondContact O-N 3.22Å; L37-L39 HydrophobicContact CB-CG 4.46Å; L37-V87 HydrophobicContact CD1-CG1 4.17Å; L37-V87 HydrophobicContact CD1-CG2 3.83Å; L37-L92 HydrophobicContact CD1-CD2 4.01Å; L37-M96 HydrophobicContact CD1-CE 4.07Å; L37-M96 HydrophobicContact CD1-SD 4.26Å
38S96.1Very high97.6Very high122 Ų12260.1 Ų60.185%0.85333%0.328SS*.  trans-111.5100.6172.7-170.80000108.7
39L96.8Very high97.6Very high23 Ų2365.7 Ų65.712%0.1235%0.354CS..  trans-115.2134.5179.4-59.6-176.6000109S29 A32 L37 I44 L82 C85 V87S29-L39 PolarHBondContact OG-O 3.17Å; A32-L39 HydrophobicContact CB-CB 4.46Å; A32-L39 HydrophobicContact CB-CD1 3.7Å; A32-L39 HydrophobicContact CB-CG 4Å; L37-L39 HydrophobicContact CB-CG 4.46Å; L39-I44 HydrophobicContact CB-CD1 3.64Å; L39-I44 HydrophobicContact CB-CG1 4.13Å; L39-I44 HydrophobicContact CD1-CD1 4.35Å; L39-L82 HydrophobicContact CD1-CD2 4.15Å; L39-C85 HydrophobicContact CD1-CB 4.15Å; L39-C85 HydrophobicContact CD2-CB 4.36Å; L39-V87 HydrophobicContact CD1-CG2 3.93Å
40H97.6Very high97.6Very high116 Ų11669.5 Ų69.554%0.53737%0.371SS..  trans-80.2127.5-176.5-164.7-85.3000111.1A42 E43 I44H40-A42 VanDerWaalsContact C-N 3.25Å; H40-A42 WeakPolarHBondContact ND1-CB 3.24Å; H40-A42 PolarHBondContact ND1-N 3.24Å; H40-A42 PolarHBondContact O-N 3.06Å; H40-A42 VanDerWaalsContact O-N 3.11Å; H40-E43 HydrophobicContact CB-CB 4.49Å; H40-E43 HydrophobicContact CB-CG 4.13Å; H40-E43 PolarHBondContact O-N 2.87Å; H40-I44 PolarHBondContact O-N 2.96Å
41P98.1Very high97.6Very high32 Ų3263.8 Ų63.821%0.20835%0.346CS..Hα-helixtrans-53.6-37.4-176.6-30.234.9000114.8G25 D26 I44 N45G25-P41 WeakPolarHBondContact CA-O 3.46Å; D26-P41 WeakPolarHBondContact OD1-CB 3.34Å; P41-I44 PolarHBondContact O-N 2.65Å; P41-N45 WeakPolarHBondContact O-CB 3.23Å; P41-N45 PolarHBondContact O-N 3.23Å; P41-N45 PolarHBondContact O-ND2 3.47Å; P41-N45 VanDerWaalsContact O-ND2 3.12Å
42A97.9Very high97.7Very high60 Ų6068 Ų6850%0.49636%0.363SS..Hα-helixtrans-65.4-38.4178.600000112.9H40 N45 A46H40-A42 VanDerWaalsContact C-N 3.25Å; H40-A42 WeakPolarHBondContact ND1-CB 3.24Å; H40-A42 PolarHBondContact ND1-N 3.24Å; H40-A42 PolarHBondContact O-N 3.06Å; H40-A42 VanDerWaalsContact O-N 3.11Å; A42-N45 PolarHBondContact O-N 3.45Å; A42-A46 PolarHBondContact O-N 3Å; A42-A46 VanDerWaalsContact O-N 3.11Å
43E97.8Very high97.7Very high129 Ų12974.3 Ų74.360%0.60339%0.386SS*.Hα-helixtrans-68.7-41.8177.6-64.9-178.5174.300110.5H40 N45 A46 A47H40-E43 HydrophobicContact CB-CB 4.49Å; H40-E43 HydrophobicContact CB-CG 4.13Å; H40-E43 PolarHBondContact O-N 2.87Å; E43-N45 PolarHBondContact O-N 3.18Å; E43-A46 PolarHBondContact O-N 2.64Å; E43-A47 PolarHBondContact O-N 3.07Å
44I98.4Very high97.7Very high1 Ų173.5 Ų73.51%0.00538%0.379CS..Hα-helixtrans-63.6-42.2176.1-59.4161.3000111.2Y28 L39 H40 P41 A46 A47 F48 T81Y28-I44 HydrophobicContact CD2-CG2 3.71Å; Y28-I44 HydrophobicContact CG-CG2 3.93Å; L39-I44 HydrophobicContact CB-CD1 3.64Å; L39-I44 HydrophobicContact CB-CG1 4.13Å; L39-I44 HydrophobicContact CD1-CD1 4.35Å; H40-I44 PolarHBondContact O-N 2.96Å; P41-I44 PolarHBondContact O-N 2.65Å; I44-A46 VanDerWaalsContact C-N 3.32Å; I44-A46 PolarHBondContact O-N 3.44Å; I44-A47 PolarHBondContact O-N 3.36Å; I44-F48 VanDerWaalsContact O-CB 3.28Å; I44-F48 WeakPolarHBondContact O-CB 3.43Å; I44-F48 PolarHBondContact O-N 3.35Å; I44-T81 HydrophobicContact CG2-CG2 3.87Å
45N98.3Very high97.7Very high33 Ų3366.9 Ų66.918%0.17635%0.354CS..Hα-helixtrans-61.3-40.9176.5-83.9-48.1000112S23 V24 G25 P41 A42 E43 F48 Q49S23-N45 WeakPolarHBondContact CB-ND2 3.32Å; S23-N45 PolarHBondContact OG-ND2 3.26Å; V24-N45 PolarHBondContact N-OD1 3.13Å; G25-N45 PolarHBondContact N-OD1 3.09Å; P41-N45 WeakPolarHBondContact O-CB 3.23Å; P41-N45 PolarHBondContact O-N 3.23Å; P41-N45 PolarHBondContact O-ND2 3.47Å; P41-N45 VanDerWaalsContact O-ND2 3.12Å; A42-N45 PolarHBondContact O-N 3.45Å; E43-N45 PolarHBondContact O-N 3.18Å; N45-F48 PolarHBondContact O-N 3.24Å; N45-Q49 VanDerWaalsContact O-CG 3.29Å; N45-Q49 WeakPolarHBondContact O-CG 3.49Å; N45-Q49 PolarHBondContact O-N 2.85Å
46A98.1Very high97.8Very high57 Ų5763.1 Ų63.147%0.47135%0.346SS..Hα-helixtrans-63.7-46.5176.800000111.5A42 E43 I44 F48 Q49 E50A42-A46 PolarHBondContact O-N 3Å; A42-A46 VanDerWaalsContact O-N 3.11Å; E43-A46 PolarHBondContact O-N 2.64Å; I44-A46 VanDerWaalsContact C-N 3.32Å; I44-A46 PolarHBondContact O-N 3.44Å; A46-F48 PolarHBondContact O-N 3.49Å; A46-Q49 PolarHBondContact O-N 3.02Å; A46-E50 PolarHBondContact O-N 3.34Å
47A98.3Very high97.7Very high12 Ų1264.6 Ų64.610%0.09934%0.344CS..Hα-helixtrans-61.3-42.817500000112.2E43 I44 Q49 E50 T51 T81 E84E43-A47 PolarHBondContact O-N 3.07Å; I44-A47 PolarHBondContact O-N 3.36Å; A47-Q49 PolarHBondContact O-N 3.24Å; A47-E50 PolarHBondContact O-N 3.06Å; A47-T51 WeakPolarHBondContact O-CB 3.38Å; A47-T51 PolarHBondContact O-N 2.88Å; A47-T51 PolarHBondContact O-OG1 3.38Å; A47-T81 HydrophobicContact CB-CG2 4.04Å; A47-E84 WeakPolarHBondContact CA-OE2 3.34Å; A47-E84 HydrophobicContact CB-CB 3.93Å
48F98.6Very high97.7Very high30 Ų3070.2 Ų70.213%0.13236%0.362CS..Hα-helixtrans-60.2-45.6177172.2-101.8000111.4V24 I44 N45 A46 E50 T51 Y52 W74 V77 T81V24-F48 HydrophobicContact CB-CD1 4.15Å; V24-F48 HydrophobicContact CB-CE1 4.37Å; V24-F48 HydrophobicContact CB-CG 4.31Å; V24-F48 HydrophobicContact CG1-CB 4.35Å; V24-F48 HydrophobicContact CG1-CD1 4.09Å; V24-F48 HydrophobicContact CG1-CD2 3.78Å; V24-F48 HydrophobicContact CG1-CE1 4.37Å; V24-F48 HydrophobicContact CG1-CE2 4.07Å; V24-F48 HydrophobicContact CG1-CG 3.79Å; V24-F48 HydrophobicContact CG1-CZ 4.36Å; V24-F48 HydrophobicContact CG2-CD1 4.19Å; V24-F48 HydrophobicContact CG2-CE1 3.91Å; V24-F48 HydrophobicContact CG2-CZ 4.16Å; I44-F48 VanDerWaalsContact O-CB 3.28Å; I44-F48 WeakPolarHBondContact O-CB 3.43Å; I44-F48 PolarHBondContact O-N 3.35Å; N45-F48 PolarHBondContact O-N 3.24Å; A46-F48 PolarHBondContact O-N 3.49Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.36Å; F48-T51 PolarHBondContact O-N 2.91Å; F48-Y52 HydrophobicContact CZ-CD2 4.07Å; F48-Y52 HydrophobicContact CZ-CG 4.27Å; F48-Y52 WeakPolarHBondContact O-CB 3.46Å; F48-Y52 PolarHBondContact O-N 3.41Å; F48-W74 HydrophobicContact CE2-CZ3 4.03Å; F48-W74 HydrophobicContact CZ-CZ3 4.12Å; F48-V77 HydrophobicContact CD2-CG1 3.97Å; F48-V77 HydrophobicContact CE2-CG1 3.74Å; F48-T81 HydrophobicContact CB-CG2 3.88Å
49Q98.2Very high97.8Very high120 Ų12066.4 Ų66.456%0.56133%0.329SS*.Hα-helixtrans-61.4-41.8179.3-75175.3-2.800112N45 A46 A47 R53N45-Q49 VanDerWaalsContact O-CG 3.29Å; N45-Q49 WeakPolarHBondContact O-CG 3.49Å; N45-Q49 PolarHBondContact O-N 2.85Å; A46-Q49 PolarHBondContact O-N 3.02Å; A47-Q49 PolarHBondContact O-N 3.24Å; Q49-R53 WeakPolarHBondContact O-CB 3.48Å; Q49-R53 PolarHBondContact O-N 2.86Å; Q49-R53 VanDerWaalsContact O-N 3.1Å
50E98Very high97.8Very high87 Ų8768.6 Ų68.641%0.40735%0.345SS..Hα-helixtrans-65.7-51.7176-174.857.7-130.100111.5A46 A47 F48 Y52 R53 R54A46-E50 PolarHBondContact O-N 3.34Å; A47-E50 PolarHBondContact O-N 3.06Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.36Å; E50-Y52 PolarHBondContact O-N 2.69Å; E50-R53 PolarHBondContact O-N 3.47Å; E50-R53 IonicContact OE1-NH1 3.69Å; E50-R53 PolarHBondContact OE1-NH1 2.97Å; E50-R53 IonicContact OE2-CZ 2.96Å; E50-R53 IonicContact OE2-NH1 3.76Å; E50-R53 PolarHBondContact OE2-NH1 3.42Å; E50-R53 IonicContact OE2-NH2 2.69Å; E50-R54 WeakPolarHBondContact O-CB 3.42Å; E50-R54 PolarHBondContact O-N 2.88Å
51T98.3Very high97.7Very high0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-61.5-46-179.2-670000111.4A47 F48 R53 R54 Y55 V77 D80 E84A47-T51 WeakPolarHBondContact O-CB 3.38Å; A47-T51 PolarHBondContact O-N 2.88Å; A47-T51 PolarHBondContact O-OG1 3.38Å; F48-T51 PolarHBondContact O-N 2.91Å; T51-R53 PolarHBondContact O-N 2.86Å; T51-R54 PolarHBondContact O-N 2.75Å; T51-R54 PolarHBondContact OG1-NH2 2.83Å; T51-R54 VanDerWaalsContact OG1-NH2 3.15Å; T51-Y55 HydrophobicContact CG2-CD2 3.85Å; T51-Y55 HydrophobicContact CG2-CE2 3.94Å; T51-Y55 WeakPolarHBondContact O-CD2 3.44Å; T51-Y55 PolarHBondContact O-N 3.01Å; T51-V77 HydrophobicContact CG2-CB 4.38Å; T51-V77 HydrophobicContact CG2-CG1 4.11Å; T51-D80 HydrophobicContact CG2-CB 3.9Å; T51-E84 PolarHBondContact OG1-OE1 3.18Å; T51-E84 VanDerWaalsContact OG1-OE1 3.08Å; T51-E84 PolarHBondContact OG1-OE2 3.44Å; T51-E84 VanDerWaalsContact OG1-OE2 3.1Å
52Y98.2Very high97.7Very high93 Ų9364 Ų6437%0.36532%0.321SS..Hα-helixtrans-57.9-48.5176179.4-96.5000110.9F48 E50 R54 Y55 S56 W73 W74F48-Y52 HydrophobicContact CZ-CD2 4.07Å; F48-Y52 HydrophobicContact CZ-CG 4.27Å; F48-Y52 WeakPolarHBondContact O-CB 3.46Å; F48-Y52 PolarHBondContact O-N 3.41Å; E50-Y52 PolarHBondContact O-N 2.69Å; Y52-R54 VanDerWaalsContact C-N 3.33Å; Y52-R54 PolarHBondContact O-N 2.95Å; Y52-Y55 PolarHBondContact O-N 2.85Å; Y52-S56 WeakPolarHBondContact CE1-OG 3.36Å; Y52-S56 WeakPolarHBondContact O-CB 3.39Å; Y52-S56 PolarHBondContact O-N 2.9Å; Y52-S56 PolarHBondContact O-OG 3.27Å; Y52-S56 VanDerWaalsContact O-OG 3.04Å; Y52-W73 AromaticContact CD2-CH2 3.58Å; Y52-W73 HydrophobicContact CD2-CH2 3.58Å; Y52-W73 HydrophobicContact CD2-CZ3 4.05Å; Y52-W73 AromaticContact CE2-CH2 3.5Å; Y52-W73 HydrophobicContact CE2-CH2 3.5Å; Y52-W73 VanDerWaalsContact CE2-CH2 3.5Å; Y52-W73 AromaticContact CE2-CZ3 3.97Å; Y52-W73 HydrophobicContact CE2-CZ3 3.97Å; Y52-W74 AromaticContact CD2-CH2 3.85Å; Y52-W74 HydrophobicContact CD2-CH2 3.85Å; Y52-W74 AromaticContact CD2-CZ3 3.91Å; Y52-W74 HydrophobicContact CD2-CZ3 3.91Å; Y52-W74 AromaticContact CE2-CH2 3.49Å; Y52-W74 HydrophobicContact CE2-CH2 3.49Å; Y52-W74 VanDerWaalsContact CE2-CH2 3.49Å; Y52-W74 HydrophobicContact CE2-CZ2 4.24Å; Y52-W74 HydrophobicContact CE2-CZ3 4.04Å
53R98Very high97.6Very high131 Ų13161.1 Ų61.149%0.49430%0.297SS..Hα-helixtrans-59.6-43.7178.5-165.6-172.3-43.4106.13.4112Q49 E50 T51 S56 S57Q49-R53 WeakPolarHBondContact O-CB 3.48Å; Q49-R53 PolarHBondContact O-N 2.86Å; Q49-R53 VanDerWaalsContact O-N 3.1Å; E50-R53 PolarHBondContact O-N 3.47Å; E50-R53 IonicContact OE1-NH1 3.69Å; E50-R53 PolarHBondContact OE1-NH1 2.97Å; E50-R53 IonicContact OE2-CZ 2.96Å; E50-R53 IonicContact OE2-NH1 3.76Å; E50-R53 PolarHBondContact OE2-NH1 3.42Å; E50-R53 IonicContact OE2-NH2 2.69Å; T51-R53 PolarHBondContact O-N 2.86Å; R53-S56 PolarHBondContact O-N 2.94Å; R53-S57 WeakPolarHBondContact O-CB 3.15Å; R53-S57 PolarHBondContact O-N 3.07Å
54R98Very high97.4Very high96 Ų9656.9 Ų56.936%0.36228%0.282SS..Hα-helixtrans-60.9-46.6177.1-178.1172.463-127.73.4111.5E50 T51 Y52 R58 E84E50-R54 WeakPolarHBondContact O-CB 3.42Å; E50-R54 PolarHBondContact O-N 2.88Å; T51-R54 PolarHBondContact O-N 2.75Å; T51-R54 PolarHBondContact OG1-NH2 2.83Å; T51-R54 VanDerWaalsContact OG1-NH2 3.15Å; Y52-R54 VanDerWaalsContact C-N 3.33Å; Y52-R54 PolarHBondContact O-N 2.95Å; R54-R58 WeakPolarHBondContact O-CB 3.3Å; R54-R58 PolarHBondContact O-N 2.99Å; R54-E84 IonicContact CZ-OE1 2.76Å; R54-E84 VanDerWaalsContact CZ-OE1 3.27Å; R54-E84 IonicContact NH1-OE1 3.64Å; R54-E84 PolarHBondContact NH1-OE1 3.36Å; R54-E84 IonicContact NH2-OE1 3.52Å; R54-E84 PolarHBondContact NH2-OE1 3.46Å
55Y98Very high97.2Very high22 Ų2261.7 Ų61.79%0.08632%0.316CS..Hα-helixtrans-67-43.1177.4-92.1-108000112.3T51 Y52 S57 R58 Y59 W73 G76 V77 D80T51-Y55 HydrophobicContact CG2-CD2 3.85Å; T51-Y55 HydrophobicContact CG2-CE2 3.94Å; T51-Y55 WeakPolarHBondContact O-CD2 3.44Å; T51-Y55 PolarHBondContact O-N 3.01Å; Y52-Y55 PolarHBondContact O-N 2.85Å; Y55-S57 VanDerWaalsContact C-N 3.28Å; Y55-S57 PolarHBondContact O-N 2.93Å; Y55-R58 PolarHBondContact O-N 3.12Å; Y55-Y59 AromaticContact CD1-CD2 3.94Å; Y55-Y59 HydrophobicContact CD1-CD2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 4.46Å; Y55-Y59 HydrophobicContact CE1-CD2 4.36Å; Y55-Y59 HydrophobicContact CE1-CE2 4.48Å; Y55-Y59 HydrophobicContact CG-CD2 4.47Å; Y55-Y59 CarbonylContact O-C 3.58Å; Y55-Y59 WeakPolarHBondContact O-CA 3.48Å; Y55-Y59 WeakPolarHBondContact O-CB 3.43Å; Y55-Y59 PolarHBondContact O-N 3.46Å; Y55-W73 VanDerWaalsContact CB-CZ2 3.47Å; Y55-W73 HydrophobicContact CD1-CD2 4.27Å; Y55-W73 HydrophobicContact CD1-CG 4.32Å; Y55-W73 AromaticContact CD1-NE1 3.93Å; Y55-G76 WeakPolarHBondContact OH-CA 3.47Å; Y55-G76 PolarHBondContact OH-O 3.4Å; Y55-V77 HydrophobicContact CD1-CG2 3.59Å; Y55-V77 HydrophobicContact CD2-CG2 3.85Å; Y55-V77 HydrophobicContact CE1-CG2 4.14Å; Y55-V77 HydrophobicContact CE2-CG2 4.36Å; Y55-V77 HydrophobicContact CG-CG2 3.42Å; Y55-V77 VanDerWaalsContact CG-CG2 3.42Å; Y55-D80 HydrophobicContact CE2-CB 4.38Å; Y55-D80 VanDerWaalsContact CE2-OD2 3.26Å; Y55-D80 WeakPolarHBondContact CE2-OD2 3.45Å; Y55-D80 PolarHBondContact OH-OD2 3.06Å
56S96.4Very high97Very high39 Ų3965.1 Ų65.127%0.27333%0.33SS..Hα-helixtrans-63.9-35178.8-63.70000112.3Y52 R53 P60Y52-S56 WeakPolarHBondContact CE1-OG 3.36Å; Y52-S56 WeakPolarHBondContact O-CB 3.39Å; Y52-S56 PolarHBondContact O-N 2.9Å; Y52-S56 PolarHBondContact O-OG 3.27Å; Y52-S56 VanDerWaalsContact O-OG 3.04Å; R53-S56 PolarHBondContact O-N 2.94Å; S56-P60 WeakPolarHBondContact O-CA 3.48Å
57S96.6Very high96.7Very high102 Ų10265.9 Ų65.971%0.71334%0.344SS*.Hα-helixtrans-71.4-46.4175.2-178.20000112.1R53 Y55R53-S57 WeakPolarHBondContact O-CB 3.15Å; R53-S57 PolarHBondContact O-N 3.07Å; Y55-S57 VanDerWaalsContact C-N 3.28Å; Y55-S57 PolarHBondContact O-N 2.93Å
58R96.8Very high96.5Very high170 Ų17067.4 Ų67.464%0.64235%0.349SS*.Hα-helixtrans-78.3-34.8-175.4-174172.3174.8151.5-1.6113.7R54 Y55 Q66R54-R58 WeakPolarHBondContact O-CB 3.3Å; R54-R58 PolarHBondContact O-N 2.99Å; Y55-R58 PolarHBondContact O-N 3.12Å; R58-Q66 PolarHBondContact O-NE2 3.03Å
59Y96.6Very high96.4Very high42 Ų4268.9 Ų68.917%0.16536%0.361CS..SBendtrans-132.866.9-173.5-53.7-61.9000109.3Y55 G63 Q66 W73Y55-Y59 AromaticContact CD1-CD2 3.94Å; Y55-Y59 HydrophobicContact CD1-CD2 3.94Å; Y55-Y59 HydrophobicContact CD1-CE2 4.46Å; Y55-Y59 HydrophobicContact CE1-CD2 4.36Å; Y55-Y59 HydrophobicContact CE1-CE2 4.48Å; Y55-Y59 HydrophobicContact CG-CD2 4.47Å; Y55-Y59 CarbonylContact O-C 3.58Å; Y55-Y59 WeakPolarHBondContact O-CA 3.48Å; Y55-Y59 WeakPolarHBondContact O-CB 3.43Å; Y55-Y59 PolarHBondContact O-N 3.46Å; Y59-G63 PolarHBondContact O-N 3.37Å; Y59-G63 VanDerWaalsContact O-N 3.16Å; Y59-Q66 VanDerWaalsContact CD1-OE1 3.3Å; Y59-Q66 VanDerWaalsContact CE1-OE1 3.31Å; Y59-W73 PolarHBondContact O-NE1 3.29Å
60P96.8Very high96.4Very high68 Ų6863.2 Ų63.244%0.44233%0.334SS..SBendtrans-60.3152.9178.827.4-35.8000111.2S56 Y62 G63S56-P60 WeakPolarHBondContact O-CA 3.48Å; P60-Y62 VanDerWaalsContact C-N 3.29Å; P60-Y62 PolarHBondContact O-N 3.11Å; P60-G63 PolarHBondContact O-N 3.2Å
61N97.1Very high96.4Very high30 Ų3063.1 Ų63.116%0.1633%0.334CS..G310 helixtrans45.154.1-174.4-16637.3000112.4G63 S64 S159 G163 V164 A165N61-G63 PolarHBondContact O-N 3.27Å; N61-G63 VanDerWaalsContact O-N 3.09Å; N61-S64 PolarHBondContact ND2-OG 3.5Å; N61-S64 WeakPolarHBondContact O-CB 3.41Å; N61-S64 PolarHBondContact O-N 3.21Å; N61-S64 VanDerWaalsContact O-N 3.11Å; N61-S64 PolarHBondContact O-OG 3.28Å; N61-S159 PolarHBondContact ND2-O 3.35Å; N61-S159 VanDerWaalsContact OD1-CB 3.23Å; N61-S159 WeakPolarHBondContact OD1-CB 3.38Å; N61-S159 PolarHBondContact OD1-O 3Å; N61-S159 PolarHBondContact OD1-OG 3.1Å; N61-G163 VanDerWaalsContact ND2-C 3.35Å; N61-G163 PolarHBondContact ND2-O 3.45Å; N61-V164 PolarHBondContact ND2-N 2.81Å; N61-A165 HydrophobicContact CB-CB 4.32Å
62Y97.7Very high96.4Very high21 Ų2167.2 Ų67.28%0.08236%0.359CS..G310 helixtrans6018.9179.3-44.7-70.8000115.2P60 S64 Q68 W73 W74 N135 F136 D137 E160P60-Y62 VanDerWaalsContact C-N 3.29Å; P60-Y62 PolarHBondContact O-N 3.11Å; Y62-S64 PolarHBondContact O-N 2.7Å; Y62-Q68 WeakPolarHBondContact O-CB 3.43Å; Y62-W73 HydrophobicContact CD1-CD2 4.1Å; Y62-W73 AromaticContact CD1-CE3 3.97Å; Y62-W73 HydrophobicContact CD1-CE3 3.97Å; Y62-W73 HydrophobicContact CD1-CG 4.45Å; Y62-W73 HydrophobicContact CD1-CZ3 4.46Å; Y62-W74 AromaticContact CD1-NE1 3.92Å; Y62-W74 HydrophobicContact CE1-CZ2 4.23Å; Y62-W74 AromaticContact CE1-NE1 3.53Å; Y62-N135 PolarHBondContact OH-O 3.25Å; Y62-F136 VanDerWaalsContact CE2-C 3.5Å; Y62-F136 WeakPolarHBondContact CE2-O 3.48Å; Y62-F136 WeakPolarHBondContact OH-CA 3.41Å; Y62-F136 PolarHBondContact OH-N 2.95Å; Y62-D137 HydrophobicContact CD1-CB 4.47Å; Y62-D137 HydrophobicContact CD2-CB 4.48Å; Y62-D137 HydrophobicContact CE1-CB 4.22Å; Y62-D137 HydrophobicContact CE2-CB 4.21Å; Y62-D137 PolarHBondContact OH-N 2.83Å; Y62-E160 HydrophobicContact CD2-CB 3.96Å; Y62-E160 HydrophobicContact CE2-CB 4.3Å
63G96.3Very high96.4Very high0 Ų063 Ų630%034%0.342CS..G310 helixtrans6919.7-176.200000113.9Y59 P60 N61 S65 Q66 G67 Q68Y59-G63 PolarHBondContact O-N 3.37Å; Y59-G63 VanDerWaalsContact O-N 3.16Å; P60-G63 PolarHBondContact O-N 3.2Å; N61-G63 PolarHBondContact O-N 3.27Å; N61-G63 VanDerWaalsContact O-N 3.09Å; G63-S65 VanDerWaalsContact C-N 3.28Å; G63-S65 PolarHBondContact O-N 3.1Å; G63-Q66 CarbonylContact O-C 3.47Å; G63-Q66 WeakPolarHBondContact O-CA 3.5Å; G63-Q66 WeakPolarHBondContact O-CB 3.32Å; G63-Q66 PolarHBondContact O-N 3.14Å; G63-G67 PolarHBondContact O-N 3.35Å; G63-Q68 PolarHBondContact O-N 3.39Å; G63-Q68 VanDerWaalsContact O-N 3.07Å
64S93.7Very high96.4Very high40 Ų4058.5 Ų58.528%0.2833%0.325SS..G310 helixtrans-51.2-43.3179.446.40000113.1N61 Y62 Q66 G67N61-S64 PolarHBondContact ND2-OG 3.5Å; N61-S64 WeakPolarHBondContact O-CB 3.41Å; N61-S64 PolarHBondContact O-N 3.21Å; N61-S64 VanDerWaalsContact O-N 3.11Å; N61-S64 PolarHBondContact O-OG 3.28Å; Y62-S64 PolarHBondContact O-N 2.7Å; S64-Q66 PolarHBondContact O-N 3.16Å; S64-Q66 VanDerWaalsContact O-N 3.16Å; S64-G67 PolarHBondContact O-N 3.3Å
65S93Very high96.4Very high103 Ų10354.9 Ų54.972%0.7231%0.313SS*.G310 helixtrans-67.7-12.3176.762.80000114.5G63G63-S65 VanDerWaalsContact C-N 3.28Å; G63-S65 PolarHBondContact O-N 3.1Å
66Q93.9Very high96.4Very high104 Ų10454 Ų5449%0.48631%0.311SS..G310 helixtrans-111.316179.8-60.4177.853.500111.7R58 Y59 G63 S64 Q68R58-Q66 PolarHBondContact O-NE2 3.03Å; Y59-Q66 VanDerWaalsContact CD1-OE1 3.3Å; Y59-Q66 VanDerWaalsContact CE1-OE1 3.31Å; G63-Q66 CarbonylContact O-C 3.47Å; G63-Q66 WeakPolarHBondContact O-CA 3.5Å; G63-Q66 WeakPolarHBondContact O-CB 3.32Å; G63-Q66 PolarHBondContact O-N 3.14Å; S64-Q66 PolarHBondContact O-N 3.16Å; S64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 3.36Å
67G92.6Very high96.5Very high73 Ų7352.2 Ų52.275%0.75330%0.298SS*.THydrogen-bonded Turntrans74.915.8177.400000114.8G63 S64G63-G67 PolarHBondContact O-N 3.35Å; S64-G67 PolarHBondContact O-N 3.3Å
68Q94.7Very high96.6Very high45 Ų4547.5 Ų47.521%0.2127%0.265CS..  trans-88.6159.7170.6-64.6-175.338.600111.4Y62 G63 Q66Y62-Q68 WeakPolarHBondContact O-CB 3.43Å; G63-Q68 PolarHBondContact O-N 3.39Å; G63-Q68 VanDerWaalsContact O-N 3.07Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 3.36Å
69T96.8Very high96.7Very high61 Ų6143.3 Ų43.337%0.37425%0.249SC..  trans-108.9160.8169.364.30000109.9Q71 T72 W73T69-Q71 PolarHBondContact O-N 3.24Å; T69-Q71 PolarHBondContact OG1-N 3.38Å; T69-T72 PolarHBondContact O-N 3.07Å; T69-T72 PolarHBondContact OG1-N 3.46Å; T69-T72 PolarHBondContact OG1-OG1 2.88Å; T69-W73 VanDerWaalsContact O-CB 3.31Å; T69-W73 WeakPolarHBondContact O-CB 3.31Å; T69-W73 PolarHBondContact O-N 3.03Å
70G97.3Very high96.8Very high0 Ų043.2 Ų43.20%025%0.251CS..Hα-helixtrans-50.2-39.216900000112W73 W74 E160G70-W73 PolarHBondContact O-N 3.35Å; G70-W74 WeakPolarHBondContact O-CB 3.44Å; G70-W74 PolarHBondContact O-N 3.33Å; G70-E160 PolarHBondContact N-OE1 3.32Å
71Q97.4Very high96.9Very high85 Ų8540 Ų4040%0.39723%0.23SC..Hα-helixtrans-62-54.8176.8-177.4170.11.400112.9T69 W73 W74 I75 Y101T69-Q71 PolarHBondContact O-N 3.24Å; T69-Q71 PolarHBondContact OG1-N 3.38Å; Q71-W73 VanDerWaalsContact C-N 3.26Å; Q71-W73 PolarHBondContact O-N 3.38Å; Q71-W74 PolarHBondContact O-N 2.93Å; Q71-I75 HydrophobicContact CG-CD1 3.67Å; Q71-I75 WeakPolarHBondContact O-CB 3.36Å; Q71-I75 VanDerWaalsContact O-CG1 3.32Å; Q71-I75 WeakPolarHBondContact O-CG1 3.26Å; Q71-I75 PolarHBondContact O-N 2.71Å; Q71-Y101 VanDerWaalsContact CA-CZ 3.5Å; Q71-Y101 WeakPolarHBondContact CA-OH 3.15Å; Q71-Y101 HydrophobicContact CB-CE1 4.07Å; Q71-Y101 HydrophobicContact CB-CE2 4.17Å; Q71-Y101 WeakPolarHBondContact CB-OH 3.33Å; Q71-Y101 HydrophobicContact CG-CD1 4.17Å; Q71-Y101 HydrophobicContact CG-CE1 3.62Å; Q71-Y101 HydrophobicContact CG-CE2 4.24Å
72T97.8Very high96.9Very high86 Ų8638.6 Ų38.653%0.52822%0.223SC..Hα-helixtrans-62.2-39.8-179.6-57.20000111.1T69 G76T69-T72 PolarHBondContact O-N 3.07Å; T69-T72 PolarHBondContact OG1-N 3.46Å; T69-T72 PolarHBondContact OG1-OG1 2.88Å; T72-G76 PolarHBondContact O-N 3.27Å
73W98.4Very high96.9Very high4 Ų439.5 Ų39.52%0.01524%0.235CC..Hα-helixtrans-62.6-50.9178.8-168.897.3000112Y52 Y55 Y59 Y62 T69 G70 Q71 G76 V77Y52-W73 AromaticContact CD2-CH2 3.58Å; Y52-W73 HydrophobicContact CD2-CH2 3.58Å; Y52-W73 HydrophobicContact CD2-CZ3 4.05Å; Y52-W73 AromaticContact CE2-CH2 3.5Å; Y52-W73 HydrophobicContact CE2-CH2 3.5Å; Y52-W73 VanDerWaalsContact CE2-CH2 3.5Å; Y52-W73 AromaticContact CE2-CZ3 3.97Å; Y52-W73 HydrophobicContact CE2-CZ3 3.97Å; Y55-W73 VanDerWaalsContact CB-CZ2 3.47Å; Y55-W73 HydrophobicContact CD1-CD2 4.27Å; Y55-W73 HydrophobicContact CD1-CG 4.32Å; Y55-W73 AromaticContact CD1-NE1 3.93Å; Y59-W73 PolarHBondContact O-NE1 3.29Å; Y62-W73 HydrophobicContact CD1-CD2 4.1Å; Y62-W73 AromaticContact CD1-CE3 3.97Å; Y62-W73 HydrophobicContact CD1-CE3 3.97Å; Y62-W73 HydrophobicContact CD1-CG 4.45Å; Y62-W73 HydrophobicContact CD1-CZ3 4.46Å; T69-W73 VanDerWaalsContact O-CB 3.31Å; T69-W73 WeakPolarHBondContact O-CB 3.31Å; T69-W73 PolarHBondContact O-N 3.03Å; G70-W73 PolarHBondContact O-N 3.35Å; Q71-W73 VanDerWaalsContact C-N 3.26Å; Q71-W73 PolarHBondContact O-N 3.38Å; W73-G76 PolarHBondContact O-N 3Å; W73-V77 HydrophobicContact CD2-CG2 4.24Å; W73-V77 HydrophobicContact CE3-CG2 3.83Å; W73-V77 HydrophobicContact CH2-CG2 3.87Å; W73-V77 HydrophobicContact CZ2-CG2 4.33Å; W73-V77 HydrophobicContact CZ3-CG2 3.62Å; W73-V77 WeakPolarHBondContact O-CG2 3.36Å; W73-V77 PolarHBondContact O-N 2.78Å
74W98.4Very high97Very high37 Ų3743.2 Ų43.214%0.1425%0.252CS..Hα-helixtrans-69.3-39.9-178.8-81118000113.4F48 Y52 Y62 G70 Q71 G76 V77 M78 Y101 D137F48-W74 HydrophobicContact CE2-CZ3 4.03Å; F48-W74 HydrophobicContact CZ-CZ3 4.12Å; Y52-W74 AromaticContact CD2-CH2 3.85Å; Y52-W74 HydrophobicContact CD2-CH2 3.85Å; Y52-W74 AromaticContact CD2-CZ3 3.91Å; Y52-W74 HydrophobicContact CD2-CZ3 3.91Å; Y52-W74 AromaticContact CE2-CH2 3.49Å; Y52-W74 HydrophobicContact CE2-CH2 3.49Å; Y52-W74 VanDerWaalsContact CE2-CH2 3.49Å; Y52-W74 HydrophobicContact CE2-CZ2 4.24Å; Y52-W74 HydrophobicContact CE2-CZ3 4.04Å; Y62-W74 AromaticContact CD1-NE1 3.92Å; Y62-W74 HydrophobicContact CE1-CZ2 4.23Å; Y62-W74 AromaticContact CE1-NE1 3.53Å; G70-W74 WeakPolarHBondContact O-CB 3.44Å; G70-W74 PolarHBondContact O-N 3.33Å; Q71-W74 PolarHBondContact O-N 2.93Å; W74-G76 PolarHBondContact O-N 2.88Å; W74-V77 HydrophobicContact CE3-CB 4.31Å; W74-V77 HydrophobicContact CE3-CG1 4.34Å; W74-V77 HydrophobicContact CZ3-CG1 4.37Å; W74-V77 PolarHBondContact O-N 2.97Å; W74-M78 HydrophobicContact CB-CE 4.43Å; W74-M78 WeakPolarHBondContact O-CB 3.48Å; W74-M78 VanDerWaalsContact O-CG 3.29Å; W74-M78 WeakPolarHBondContact O-CG 3.39Å; W74-M78 PolarHBondContact O-N 3.08Å; W74-Y101 HydrophobicContact CB-CD2 3.7Å; W74-Y101 HydrophobicContact CB-CE2 3.82Å; W74-Y101 HydrophobicContact CG-CE2 4.4Å; W74-D137 PolarHBondContact NE1-OD2 3.34Å
75I98.4Very high97.1Very high21 Ų2142 Ų4211%0.10824%0.244CC..Hα-helixtrans-59.7-40.3173-70.9169.2000109.7Q71 M78 R79 A97 N98 Y101Q71-I75 HydrophobicContact CG-CD1 3.67Å; Q71-I75 WeakPolarHBondContact O-CB 3.36Å; Q71-I75 VanDerWaalsContact O-CG1 3.32Å; Q71-I75 WeakPolarHBondContact O-CG1 3.26Å; Q71-I75 PolarHBondContact O-N 2.71Å; I75-M78 PolarHBondContact O-N 2.61Å; I75-R79 WeakPolarHBondContact O-CB 3.39Å; I75-R79 PolarHBondContact O-N 2.9Å; I75-A97 HydrophobicContact CG2-CB 4.06Å; I75-N98 VanDerWaalsContact CD1-OD1 3.3Å; I75-N98 WeakPolarHBondContact CD1-OD1 3.26Å; I75-Y101 HydrophobicContact CD1-CG 4.44Å; I75-Y101 HydrophobicContact CG1-CD2 4.23Å; I75-Y101 HydrophobicContact CG1-CG 4.03Å
76G98.3Very high97.2Very high4 Ų445.5 Ų45.54%0.04125%0.246CC..Hα-helixtrans-59.1-50.1173.500000112.6Y55 T72 W73 W74 M78 R79 D80Y55-G76 WeakPolarHBondContact OH-CA 3.47Å; Y55-G76 PolarHBondContact OH-O 3.4Å; T72-G76 PolarHBondContact O-N 3.27Å; W73-G76 PolarHBondContact O-N 3Å; W74-G76 PolarHBondContact O-N 2.88Å; G76-M78 PolarHBondContact O-N 3.05Å; G76-R79 PolarHBondContact O-N 3.45Å; G76-D80 WeakPolarHBondContact O-CB 3.42Å; G76-D80 PolarHBondContact O-N 2.96Å
77V98.6Very high97.2Very high0 Ų041 Ų410%023%0.226CC..Hα-helixtrans-58.4-48.4176.4171.30000111.6F48 T51 Y55 W73 W74 T81F48-V77 HydrophobicContact CD2-CG1 3.97Å; F48-V77 HydrophobicContact CE2-CG1 3.74Å; T51-V77 HydrophobicContact CG2-CB 4.38Å; T51-V77 HydrophobicContact CG2-CG1 4.11Å; Y55-V77 HydrophobicContact CD1-CG2 3.59Å; Y55-V77 HydrophobicContact CD2-CG2 3.85Å; Y55-V77 HydrophobicContact CE1-CG2 4.14Å; Y55-V77 HydrophobicContact CE2-CG2 4.36Å; Y55-V77 HydrophobicContact CG-CG2 3.42Å; Y55-V77 VanDerWaalsContact CG-CG2 3.42Å; W73-V77 HydrophobicContact CD2-CG2 4.24Å; W73-V77 HydrophobicContact CE3-CG2 3.83Å; W73-V77 HydrophobicContact CH2-CG2 3.87Å; W73-V77 HydrophobicContact CZ2-CG2 4.33Å; W73-V77 HydrophobicContact CZ3-CG2 3.62Å; W73-V77 WeakPolarHBondContact O-CG2 3.36Å; W73-V77 PolarHBondContact O-N 2.78Å; W74-V77 HydrophobicContact CE3-CB 4.31Å; W74-V77 HydrophobicContact CE3-CG1 4.34Å; W74-V77 HydrophobicContact CZ3-CG1 4.37Å; W74-V77 PolarHBondContact O-N 2.97Å; V77-T81 VanDerWaalsContact O-CB 3.28Å; V77-T81 WeakPolarHBondContact O-CB 3.44Å; V77-T81 PolarHBondContact O-N 3.19Å; V77-T81 PolarHBondContact O-OG1 3.23Å
78M98.6Very high97.2Very high4 Ų444.1 Ų44.12%0.0223%0.225CC..Hα-helixtrans-59.5-49.5179.8-75.8160.6-175.500111.5Y28 W74 I75 G76 T81 L82 A97 L100 Y101 F104Y28-M78 HydrophobicContact CE1-CG 4.3Å; Y28-M78 HydrophobicContact CE2-CB 4.28Å; Y28-M78 HydrophobicContact CE2-CG 4.24Å; Y28-M78 WeakPolarHBondContact OH-CG 3.47Å; W74-M78 HydrophobicContact CB-CE 4.43Å; W74-M78 WeakPolarHBondContact O-CB 3.48Å; W74-M78 VanDerWaalsContact O-CG 3.29Å; W74-M78 WeakPolarHBondContact O-CG 3.39Å; W74-M78 PolarHBondContact O-N 3.08Å; I75-M78 PolarHBondContact O-N 2.61Å; G76-M78 PolarHBondContact O-N 3.05Å; M78-T81 PolarHBondContact O-N 2.92Å; M78-L82 WeakPolarHBondContact O-CG 3.33Å; M78-L82 PolarHBondContact O-N 3.37Å; M78-L82 VanDerWaalsContact O-N 3.11Å; M78-A97 HydrophobicContact CB-CB 3.75Å; M78-A97 VanDerWaalsContact SD-O 3.38Å; M78-L100 HydrophobicContact CE-CB 4.36Å; M78-L100 HydrophobicContact CG-CB 4.32Å; M78-L100 HydrophobicContact SD-CB 3.81Å; M78-Y101 PolarHBondContact SD-N 2.62Å; M78-F104 HydrophobicContact CE-CD2 3.78Å; M78-F104 HydrophobicContact CE-CE2 4.17Å
79R98.5Very high97.3Very high82 Ų8246 Ų4631%0.30924%0.236SC..Hα-helixtrans-61.7-49.9-179.6-174-16560.9-149.2-9111.4I75 G76 T81 L82 A83 L93 N94 A97I75-R79 WeakPolarHBondContact O-CB 3.39Å; I75-R79 PolarHBondContact O-N 2.9Å; G76-R79 PolarHBondContact O-N 3.45Å; R79-T81 VanDerWaalsContact C-N 3.31Å; R79-T81 PolarHBondContact O-N 3.43Å; R79-L82 PolarHBondContact O-N 2.92Å; R79-A83 PolarHBondContact O-N 3.37Å; R79-L93 HydrophobicContact CG-CB 3.9Å; R79-N94 VanDerWaalsContact CD-OD1 3.28Å; R79-N94 WeakPolarHBondContact CD-OD1 3.22Å; R79-A97 HydrophobicContact CB-CB 3.91Å
80D98.4Very high97.3Very high39 Ų3947.2 Ų47.221%0.20925%0.245CC..Hα-helixtrans-70.2-32.4-175.3-65.53.8000111.1T51 Y55 G76 A83 E84T51-D80 HydrophobicContact CG2-CB 3.9Å; Y55-D80 HydrophobicContact CE2-CB 4.38Å; Y55-D80 VanDerWaalsContact CE2-OD2 3.26Å; Y55-D80 WeakPolarHBondContact CE2-OD2 3.45Å; Y55-D80 PolarHBondContact OH-OD2 3.06Å; G76-D80 WeakPolarHBondContact O-CB 3.42Å; G76-D80 PolarHBondContact O-N 2.96Å; D80-A83 PolarHBondContact O-N 3.29Å; D80-E84 WeakPolarHBondContact O-CG 3.47Å; D80-E84 PolarHBondContact O-N 3.41Å
81T98.6Very high97.3Very high0 Ų050.2 Ų50.20%027%0.27CS..Hα-helixtrans-59.6-48.6170.1-61.20000111.3Y28 I44 A47 F48 V77 M78 R79 A83 E84 C85Y28-T81 HydrophobicContact CD2-CG2 4.07Å; Y28-T81 HydrophobicContact CE2-CG2 3.82Å; I44-T81 HydrophobicContact CG2-CG2 3.87Å; A47-T81 HydrophobicContact CB-CG2 4.04Å; F48-T81 HydrophobicContact CB-CG2 3.88Å; V77-T81 VanDerWaalsContact O-CB 3.28Å; V77-T81 WeakPolarHBondContact O-CB 3.44Å; V77-T81 PolarHBondContact O-N 3.19Å; V77-T81 PolarHBondContact O-OG1 3.23Å; M78-T81 PolarHBondContact O-N 2.92Å; R79-T81 VanDerWaalsContact C-N 3.31Å; R79-T81 PolarHBondContact O-N 3.43Å; T81-A83 VanDerWaalsContact C-N 3.29Å; T81-A83 PolarHBondContact O-N 3.16Å; T81-E84 PolarHBondContact O-N 3.13Å; T81-C85 PolarHBondContact O-N 2.76Å; T81-C85 PolarHBondContact O-SG 3.26Å
82L98.3Very high97.3Very high1 Ų147.5 Ų47.51%0.00526%0.258CS..Hα-helixtrans-65.2-34.3178.5-69.8164.5000111.9Y28 L39 M78 R79 C85 V87 L93 M96 L100Y28-L82 HydrophobicContact CD2-CD2 4.02Å; Y28-L82 HydrophobicContact CD2-CG 4.07Å; L39-L82 HydrophobicContact CD1-CD2 4.15Å; M78-L82 WeakPolarHBondContact O-CG 3.33Å; M78-L82 PolarHBondContact O-N 3.37Å; M78-L82 VanDerWaalsContact O-N 3.11Å; R79-L82 PolarHBondContact O-N 2.92Å; L82-C85 CarbonylContact O-C 3.45Å; L82-C85 WeakPolarHBondContact O-CA 3.45Å; L82-C85 WeakPolarHBondContact O-CB 3.42Å; L82-C85 PolarHBondContact O-N 3Å; L82-C85 VanDerWaalsContact O-N 3.16Å; L82-V87 WeakPolarHBondContact O-CB 3.36Å; L82-V87 PolarHBondContact O-N 3.21Å; L82-L93 HydrophobicContact CB-CD2 3.4Å; L82-L93 VanDerWaalsContact CB-CD2 3.4Å; L82-M96 HydrophobicContact CD1-CB 3.72Å; L82-M96 HydrophobicContact CD1-CE 4.04Å; L82-M96 HydrophobicContact CD2-CE 4.46Å; L82-L100 HydrophobicContact CD1-CD1 4.13Å
83A97.8Very high97.3Very high41 Ų4144.1 Ų44.134%0.33924%0.237SC..Hα-helixtrans-65.6-40.9174.600000111.8R79 D80 T81 C85 K86 L93R79-A83 PolarHBondContact O-N 3.37Å; D80-A83 PolarHBondContact O-N 3.29Å; T81-A83 VanDerWaalsContact C-N 3.29Å; T81-A83 PolarHBondContact O-N 3.16Å; A83-C85 PolarHBondContact O-N 2.93Å; A83-K86 PolarHBondContact O-N 3.38Å; A83-L93 HydrophobicContact CB-CD1 4Å; A83-L93 HydrophobicContact CB-CD2 4.34Å
84E97.4Very high97.3Very high77 Ų7747 Ų4736%0.3625%0.253SS..Hα-helixtrans-61-28.2172.4-74.2179.5-176.500111.9A47 T51 R54 D80 T81 K86A47-E84 WeakPolarHBondContact CA-OE2 3.34Å; A47-E84 HydrophobicContact CB-CB 3.93Å; T51-E84 PolarHBondContact OG1-OE1 3.18Å; T51-E84 VanDerWaalsContact OG1-OE1 3.08Å; T51-E84 PolarHBondContact OG1-OE2 3.44Å; T51-E84 VanDerWaalsContact OG1-OE2 3.1Å; R54-E84 IonicContact CZ-OE1 2.76Å; R54-E84 VanDerWaalsContact CZ-OE1 3.27Å; R54-E84 IonicContact NH1-OE1 3.64Å; R54-E84 PolarHBondContact NH1-OE1 3.36Å; R54-E84 IonicContact NH2-OE1 3.52Å; R54-E84 PolarHBondContact NH2-OE1 3.46Å; D80-E84 WeakPolarHBondContact O-CG 3.47Å; D80-E84 PolarHBondContact O-N 3.41Å; T81-E84 PolarHBondContact O-N 3.13Å; E84-K86 PolarHBondContact O-N 2.91Å
85C96.8Very high97.3Very high16 Ų1648 Ų4811%0.10826%0.263CS..THydrogen-bonded Turntrans-82.920.5171-60.70000114.3L39 T81 L82 A83 V87L39-C85 HydrophobicContact CD1-CB 4.15Å; L39-C85 HydrophobicContact CD2-CB 4.36Å; T81-C85 PolarHBondContact O-N 2.76Å; T81-C85 PolarHBondContact O-SG 3.26Å; L82-C85 CarbonylContact O-C 3.45Å; L82-C85 WeakPolarHBondContact O-CA 3.45Å; L82-C85 WeakPolarHBondContact O-CB 3.42Å; L82-C85 PolarHBondContact O-N 3Å; L82-C85 VanDerWaalsContact O-N 3.16Å; A83-C85 PolarHBondContact O-N 2.93Å; C85-V87 VanDerWaalsContact C-N 3.3Å; C85-V87 PolarHBondContact O-N 2.87Å
86K94.3Very high97.3Very high175 Ų17547 Ų4776%0.76126%0.257SS*.THydrogen-bonded Turntrans67.219.7174.1-50.7174.4-177.8169.80115.4A83 E84 N88A83-K86 PolarHBondContact O-N 3.38Å; E84-K86 PolarHBondContact O-N 2.91Å; K86-N88 PolarHBondContact O-N 3.12Å; K86-N88 PolarHBondContact O-ND2 3Å
87V94Very high97.3Very high10 Ų1046.8 Ų46.86%0.06126%0.256CS..  trans-78.1113.1166-176.60000108.2L37 L39 L82 C85 L92 L93 M96L37-V87 HydrophobicContact CD1-CG1 4.17Å; L37-V87 HydrophobicContact CD1-CG2 3.83Å; L39-V87 HydrophobicContact CD1-CG2 3.93Å; L82-V87 WeakPolarHBondContact O-CB 3.36Å; L82-V87 PolarHBondContact O-N 3.21Å; C85-V87 VanDerWaalsContact C-N 3.3Å; C85-V87 PolarHBondContact O-N 2.87Å; V87-L92 HydrophobicContact CG1-CD2 4.26Å; V87-L93 HydrophobicContact CB-CD2 3.73Å; V87-L93 HydrophobicContact CB-CG 4.35Å; V87-L93 HydrophobicContact CG1-CD2 3.71Å; V87-L93 HydrophobicContact CG1-CG 3.92Å; V87-L93 WeakPolarHBondContact O-CD1 3.47Å; V87-M96 HydrophobicContact CB-CE 4.47Å; V87-M96 HydrophobicContact CG1-CE 3.7Å; V87-M96 HydrophobicContact CG2-CE 4.32Å
88N92.9Very high97.3Very high138 Ų13849.7 Ų49.774%0.73827%0.271SS*.  trans-103-13.8-169.8-62.7-44.9000114.8K86 P90K86-N88 PolarHBondContact O-N 3.12Å; K86-N88 PolarHBondContact O-ND2 3Å; N88-P90 VanDerWaalsContact O-CD 3.24Å; N88-P90 WeakPolarHBondContact O-CD 3.37Å
89D97.1Very high97.3Very high84 Ų8452.3 Ų52.345%0.44929%0.285SS..  trans-78.2114.2179.5178.6-15.9000110.4A91 L92 L93D89-A91 VanDerWaalsContact C-N 3.34Å; D89-A91 PolarHBondContact O-N 3.26Å; D89-A91 WeakPolarHBondContact OD1-CB 3.23Å; D89-A91 PolarHBondContact OD1-N 3.19Å; D89-L92 HydrophobicContact CB-CB 3.82Å; D89-L92 PolarHBondContact O-N 2.98Å; D89-L92 PolarHBondContact OD1-N 2.85Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 VanDerWaalsContact O-CG 3.31Å; D89-L93 WeakPolarHBondContact O-CG 3.4Å; D89-L93 PolarHBondContact O-N 3.16Å
90P96.3Very high97.3Very high87 Ų8748.5 Ų48.557%0.56527%0.271SS*.Hα-helixtrans-63.3-34.6-178.3-22.235.1000114.1N88 N94N88-P90 VanDerWaalsContact O-CD 3.24Å; N88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-N94 WeakPolarHBondContact O-CB 3.33Å; P90-N94 VanDerWaalsContact O-CG 3.28Å; P90-N94 PolarHBondContact O-N 3.26Å; P90-N94 VanDerWaalsContact O-N 3.07Å; P90-N94 PolarHBondContact O-ND2 2.79Å
91A97.3Very high97.3Very high63 Ų6347.4 Ų47.452%0.52126%0.264SS..Hα-helixtrans-70.5-41.7-179.800000110.5D89 T95D89-A91 VanDerWaalsContact C-N 3.34Å; D89-A91 PolarHBondContact O-N 3.26Å; D89-A91 WeakPolarHBondContact OD1-CB 3.23Å; D89-A91 PolarHBondContact OD1-N 3.19Å; A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.23Å; A91-T95 PolarHBondContact O-OG1 3.02Å
92L97.6Very high97.2Very high29 Ų2952.3 Ų52.315%0.15229%0.287CS..Hα-helixtrans-65.1-46.4175.4-178.657.5000111.8W35 L37 V87 D89 N94 T95 M96W35-L92 HydrophobicContact CB-CD1 3.92Å; W35-L92 HydrophobicContact CD2-CD1 3.42Å; W35-L92 VanDerWaalsContact CD2-CD1 3.42Å; W35-L92 HydrophobicContact CE3-CD1 3.58Å; W35-L92 HydrophobicContact CG-CD1 3.56Å; W35-L92 HydrophobicContact CZ3-CD1 4.27Å; L37-L92 HydrophobicContact CD1-CD2 4.01Å; V87-L92 HydrophobicContact CG1-CD2 4.26Å; D89-L92 HydrophobicContact CB-CB 3.82Å; D89-L92 PolarHBondContact O-N 2.98Å; D89-L92 PolarHBondContact OD1-N 2.85Å; L92-N94 VanDerWaalsContact C-N 3.34Å; L92-N94 PolarHBondContact O-N 2.99Å; L92-T95 PolarHBondContact O-N 3.11Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L92-M96 HydrophobicContact CD1-CE 4.31Å; L92-M96 HydrophobicContact CD1-CG 4.14Å; L92-M96 HydrophobicContact CD1-SD 4.35Å; L92-M96 HydrophobicContact CD2-CE 4.31Å; L92-M96 HydrophobicContact CG-CE 3.76Å; L92-M96 HydrophobicContact CG-SD 4.41Å; L92-M96 PolarHBondContact O-N 3.07Å
93L98.1Very high97.1Very high15 Ų1553.7 Ų53.78%0.07929%0.294CS..Hα-helixtrans-54.2-49175.6-81.6176.7000112.1R79 L82 A83 V87 D89 T95 A97R79-L93 HydrophobicContact CG-CB 3.9Å; L82-L93 HydrophobicContact CB-CD2 3.4Å; L82-L93 VanDerWaalsContact CB-CD2 3.4Å; A83-L93 HydrophobicContact CB-CD1 4Å; A83-L93 HydrophobicContact CB-CD2 4.34Å; V87-L93 HydrophobicContact CB-CD2 3.73Å; V87-L93 HydrophobicContact CB-CG 4.35Å; V87-L93 HydrophobicContact CG1-CD2 3.71Å; V87-L93 HydrophobicContact CG1-CG 3.92Å; V87-L93 WeakPolarHBondContact O-CD1 3.47Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 VanDerWaalsContact O-CG 3.31Å; D89-L93 WeakPolarHBondContact O-CG 3.4Å; D89-L93 PolarHBondContact O-N 3.16Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.38Å; L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.35Å; L93-A97 PolarHBondContact O-N 3.32Å
94N97.8Very high97Very high64 Ų6452.5 Ų52.534%0.34228%0.282SS..Hα-helixtrans-63.1-42177.6-73.8-35.4000111.3R79 P90 L92 A97 N98R79-N94 VanDerWaalsContact CD-OD1 3.28Å; R79-N94 WeakPolarHBondContact CD-OD1 3.22Å; P90-N94 WeakPolarHBondContact O-CB 3.33Å; P90-N94 VanDerWaalsContact O-CG 3.28Å; P90-N94 PolarHBondContact O-N 3.26Å; P90-N94 VanDerWaalsContact O-N 3.07Å; P90-N94 PolarHBondContact O-ND2 2.79Å; L92-N94 VanDerWaalsContact C-N 3.34Å; L92-N94 PolarHBondContact O-N 2.99Å; N94-A97 PolarHBondContact O-N 3.16Å; N94-N98 WeakPolarHBondContact O-CB 3.3Å; N94-N98 PolarHBondContact O-N 2.76Å; N94-N98 PolarHBondContact O-ND2 2.89Å
95T98.4Very high96.9Very high57 Ų5749.5 Ų49.535%0.3527%0.269SS..Hα-helixtrans-62-51.7179.4-57.70000111.2W35 A91 L92 L93 A97 N98 N99W35-T95 HydrophobicContact CH2-CG2 3.84Å; W35-T95 HydrophobicContact CZ2-CG2 3.45Å; W35-T95 VanDerWaalsContact CZ2-CG2 3.45Å; A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.23Å; A91-T95 PolarHBondContact O-OG1 3.02Å; L92-T95 PolarHBondContact O-N 3.11Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.38Å; T95-A97 PolarHBondContact O-N 3.44Å; T95-N98 PolarHBondContact O-N 3.42Å; T95-N99 VanDerWaalsContact O-CG 3.27Å; T95-N99 PolarHBondContact O-N 3.09Å
96M98.4Very high96.9Very high0 Ų052.2 Ų52.20%028%0.282CS..Hα-helixtrans-60.9-42.8178.1-70.5-170.5-67.200112.2E31 A32 W35 L37 L82 V87 L92 N98 N99 L100E31-M96 HydrophobicContact CG-CB 3.97Å; E31-M96 HydrophobicContact CG-CG 3.95Å; E31-M96 HydrophobicContact CG-SD 4.5Å; A32-M96 HydrophobicContact CB-SD 4.41Å; W35-M96 VanDerWaalsContact CD1-CG 3.47Å; W35-M96 HydrophobicContact CG-CG 4.3Å; W35-M96 HydrophobicContact CG-SD 4.33Å; L37-M96 HydrophobicContact CD1-CE 4.07Å; L37-M96 HydrophobicContact CD1-SD 4.26Å; L82-M96 HydrophobicContact CD1-CB 3.72Å; L82-M96 HydrophobicContact CD1-CE 4.04Å; L82-M96 HydrophobicContact CD2-CE 4.46Å; V87-M96 HydrophobicContact CB-CE 4.47Å; V87-M96 HydrophobicContact CG1-CE 3.7Å; V87-M96 HydrophobicContact CG2-CE 4.32Å; L92-M96 HydrophobicContact CD1-CE 4.31Å; L92-M96 HydrophobicContact CD1-CG 4.14Å; L92-M96 HydrophobicContact CD1-SD 4.35Å; L92-M96 HydrophobicContact CD2-CE 4.31Å; L92-M96 HydrophobicContact CG-CE 3.76Å; L92-M96 HydrophobicContact CG-SD 4.41Å; L92-M96 PolarHBondContact O-N 3.07Å; M96-N98 PolarHBondContact O-N 3.37Å; M96-N99 PolarHBondContact O-N 3.33Å; M96-L100 WeakPolarHBondContact O-CB 3.42Å; M96-L100 VanDerWaalsContact O-CG 3.26Å; M96-L100 WeakPolarHBondContact O-CG 3.42Å; M96-L100 PolarHBondContact O-N 3.18Å
97A98.5Very high96.9Very high0 Ų045.7 Ų45.70%026%0.261CS..Hα-helixtrans-63.3-41178.400000112.4I75 M78 R79 L93 N94 T95 Y101I75-A97 HydrophobicContact CG2-CB 4.06Å; M78-A97 HydrophobicContact CB-CB 3.75Å; M78-A97 VanDerWaalsContact SD-O 3.38Å; R79-A97 HydrophobicContact CB-CB 3.91Å; L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.35Å; L93-A97 PolarHBondContact O-N 3.32Å; N94-A97 PolarHBondContact O-N 3.16Å; T95-A97 PolarHBondContact O-N 3.44Å; A97-Y101 WeakPolarHBondContact O-CB 3.39Å; A97-Y101 PolarHBondContact O-N 3.41Å
98N98.3Very high97Very high62 Ų6252.6 Ų52.633%0.33229%0.293SS..Hα-helixtrans-65.7-43.8174.6-81.2-79.7000111.6I75 N94 T95 M96 Y101 Q102I75-N98 VanDerWaalsContact CD1-OD1 3.3Å; I75-N98 WeakPolarHBondContact CD1-OD1 3.26Å; N94-N98 WeakPolarHBondContact O-CB 3.3Å; N94-N98 PolarHBondContact O-N 2.76Å; N94-N98 PolarHBondContact O-ND2 2.89Å; T95-N98 PolarHBondContact O-N 3.42Å; M96-N98 PolarHBondContact O-N 3.37Å; N98-Y101 WeakPolarHBondContact O-CB 3.49Å; N98-Y101 PolarHBondContact O-N 3.43Å; N98-Q102 WeakPolarHBondContact O-CG 3.35Å; N98-Q102 PolarHBondContact O-N 3.31Å; N98-Q102 VanDerWaalsContact O-N 3.1Å
99N98.2Very high97.3Very high59 Ų5947.2 Ų47.232%0.31626%0.263SS..Hα-helixtrans-59.3-49.4176.9-71.8-9.6000111E31 T95 M96 Y101 Q102 D103E31-N99 WeakPolarHBondContact OE1-CB 3.35Å; E31-N99 PolarHBondContact OE1-ND2 2.8Å; T95-N99 VanDerWaalsContact O-CG 3.27Å; T95-N99 PolarHBondContact O-N 3.09Å; M96-N99 PolarHBondContact O-N 3.33Å; N99-Y101 VanDerWaalsContact C-N 3.33Å; N99-Y101 PolarHBondContact O-N 3.01Å; N99-Q102 PolarHBondContact O-N 2.91Å; N99-D103 VanDerWaalsContact O-CB 3.28Å; N99-D103 WeakPolarHBondContact O-CB 3.44Å; N99-D103 PolarHBondContact O-N 3.12Å
100L98.3Very high97.3Very high1 Ų143.9 Ų43.91%0.00524%0.244CC..Hα-helixtrans-56.6-46.8175.7-73.4165.6000111.3Y28 E31 M78 L82 M96 Q102 D103 F104Y28-L100 HydrophobicContact CD1-CD1 3.63Å; Y28-L100 HydrophobicContact CD1-CD2 3.67Å; Y28-L100 HydrophobicContact CD1-CG 4.24Å; Y28-L100 HydrophobicContact CD2-CD1 3.85Å; Y28-L100 HydrophobicContact CE1-CD1 3.82Å; Y28-L100 HydrophobicContact CE1-CD2 4.13Å; Y28-L100 HydrophobicContact CE1-CG 4.42Å; Y28-L100 HydrophobicContact CE2-CD1 4.03Å; Y28-L100 HydrophobicContact CG-CD1 3.68Å; Y28-L100 HydrophobicContact CG-CD2 4.29Å; E31-L100 HydrophobicContact CB-CD2 3.83Å; E31-L100 HydrophobicContact CB-CG 4.11Å; E31-L100 HydrophobicContact CG-CD2 4.35Å; E31-L100 HydrophobicContact CG-CG 4.09Å; M78-L100 HydrophobicContact CE-CB 4.36Å; M78-L100 HydrophobicContact CG-CB 4.32Å; M78-L100 HydrophobicContact SD-CB 3.81Å; L82-L100 HydrophobicContact CD1-CD1 4.13Å; M96-L100 WeakPolarHBondContact O-CB 3.42Å; M96-L100 VanDerWaalsContact O-CG 3.26Å; M96-L100 WeakPolarHBondContact O-CG 3.42Å; M96-L100 PolarHBondContact O-N 3.18Å; L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3.23Å; L100-D103 WeakPolarHBondContact O-CB 3.44Å; L100-D103 PolarHBondContact O-N 2.95Å; L100-D103 VanDerWaalsContact O-N 3.15Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 WeakPolarHBondContact O-CD2 3.43Å; L100-F104 PolarHBondContact O-N 3.43Å
101Y98.4Very high97.4Very high17 Ų1742.8 Ų42.87%0.06723%0.231CC..Hα-helixtrans-56.3-44.4179.7-177.8-95.2000112.6Q71 W74 I75 M78 A97 N98 N99 R139Q71-Y101 VanDerWaalsContact CA-CZ 3.5Å; Q71-Y101 WeakPolarHBondContact CA-OH 3.15Å; Q71-Y101 HydrophobicContact CB-CE1 4.07Å; Q71-Y101 HydrophobicContact CB-CE2 4.17Å; Q71-Y101 WeakPolarHBondContact CB-OH 3.33Å; Q71-Y101 HydrophobicContact CG-CD1 4.17Å; Q71-Y101 HydrophobicContact CG-CE1 3.62Å; Q71-Y101 HydrophobicContact CG-CE2 4.24Å; W74-Y101 HydrophobicContact CB-CD2 3.7Å; W74-Y101 HydrophobicContact CB-CE2 3.82Å; W74-Y101 HydrophobicContact CG-CE2 4.4Å; I75-Y101 HydrophobicContact CD1-CG 4.44Å; I75-Y101 HydrophobicContact CG1-CD2 4.23Å; I75-Y101 HydrophobicContact CG1-CG 4.03Å; M78-Y101 PolarHBondContact SD-N 2.62Å; A97-Y101 WeakPolarHBondContact O-CB 3.39Å; A97-Y101 PolarHBondContact O-N 3.41Å; N98-Y101 WeakPolarHBondContact O-CB 3.49Å; N98-Y101 PolarHBondContact O-N 3.43Å; N99-Y101 VanDerWaalsContact C-N 3.33Å; N99-Y101 PolarHBondContact O-N 3.01Å; Y101-R139 VanDerWaalsContact CD2-NH1 3.34Å; Y101-R139 HydrophobicContact CE1-CG 4.4Å; Y101-R139 VanDerWaalsContact CE2-NE 3.34Å; Y101-R139 PolarHBondContact O-NH1 3.18Å; Y101-R139 VanDerWaalsContact O-NH1 3.13Å; Y101-R139 WeakPolarHBondContact OH-CD 3.48Å; Y101-R139 WeakPolarHBondContact OH-CG 3.31Å
102Q97.3Very high97.4Very high103 Ų10341.5 Ų41.548%0.48122%0.217SC..Hα-helixtrans-70.3-41.2176.1-62.6-57.2-31.500111.9N98 N99 L100 F104 C105N98-Q102 WeakPolarHBondContact O-CG 3.35Å; N98-Q102 PolarHBondContact O-N 3.31Å; N98-Q102 VanDerWaalsContact O-N 3.1Å; N99-Q102 PolarHBondContact O-N 2.91Å; L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3.23Å; Q102-F104 VanDerWaalsContact C-N 3.27Å; Q102-F104 PolarHBondContact O-N 2.8Å; Q102-C105 VanDerWaalsContact O-CB 3.27Å; Q102-C105 WeakPolarHBondContact O-CB 3.45Å; Q102-C105 PolarHBondContact O-N 3.41Å
103D95.9Very high97.5Very high30 Ų3041.8 Ų41.816%0.1622%0.217CC..Hα-helixtrans-58.7-38-179.7-103.525.7000112R34 N99 L100 C105 N106 K109R34-D103 IonicContact NH1-OD2 3.88Å; N99-D103 VanDerWaalsContact O-CB 3.28Å; N99-D103 WeakPolarHBondContact O-CB 3.44Å; N99-D103 PolarHBondContact O-N 3.12Å; L100-D103 WeakPolarHBondContact O-CB 3.44Å; L100-D103 PolarHBondContact O-N 2.95Å; L100-D103 VanDerWaalsContact O-N 3.15Å; D103-C105 PolarHBondContact O-N 3.43Å; D103-C105 VanDerWaalsContact O-N 3.15Å; D103-N106 VanDerWaalsContact O-CB 3.31Å; D103-N106 WeakPolarHBondContact O-CB 3.48Å; D103-N106 PolarHBondContact O-N 2.91Å; D103-N106 PolarHBondContact O-ND2 3.45Å; D103-K109 WeakPolarHBondContact O-CG 3.34Å; D103-K109 WeakPolarHBondContact OD2-CE 3.21Å; D103-K109 IonicContact OD2-NZ 2.78Å; D103-K109 PolarHBondContact OD2-NZ 3.48Å
104F96.9Very high97.4Very high16 Ų1652.9 Ų52.97%0.0726%0.258CS..THydrogen-bonded Turntrans-67.6-5176.5-83.1-75.2000114.4V20 H27 Y28 M78 L100 Q102 N106 K109 W110V20-F104 HydrophobicContact CG1-CE1 4.1Å; H27-F104 HydrophobicContact CB-CZ 4.06Å; H27-F104 AromaticContact CD2-CE1 3.88Å; H27-F104 AromaticContact CD2-CZ 3.79Å; Y28-F104 AromaticContact CE1-CE2 3.96Å; Y28-F104 HydrophobicContact CE1-CE2 3.96Å; Y28-F104 HydrophobicContact CE1-CZ 4.42Å; M78-F104 HydrophobicContact CE-CD2 3.78Å; M78-F104 HydrophobicContact CE-CE2 4.17Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 WeakPolarHBondContact O-CD2 3.43Å; L100-F104 PolarHBondContact O-N 3.43Å; Q102-F104 VanDerWaalsContact C-N 3.27Å; Q102-F104 PolarHBondContact O-N 2.8Å; F104-N106 VanDerWaalsContact C-N 3.34Å; F104-K109 HydrophobicContact CD1-CB 4.09Å; F104-K109 HydrophobicContact CE1-CB 4.45Å; F104-W110 PolarHBondContact O-NE1 2.95Å
105C95.3Very high97.5Very high14 Ų1450.5 Ų50.510%0.09525%0.245CC..THydrogen-bonded Turntrans-81.6-14.5168-64.20000113.1Q102 D103 R139 T142 S146Q102-C105 VanDerWaalsContact O-CB 3.27Å; Q102-C105 WeakPolarHBondContact O-CB 3.45Å; Q102-C105 PolarHBondContact O-N 3.41Å; D103-C105 PolarHBondContact O-N 3.43Å; D103-C105 VanDerWaalsContact O-N 3.15Å; C105-R139 VanDerWaalsContact SG-CD 3.53Å; C105-T142 HydrophobicContact CB-CG2 4.02Å; C105-S146 PolarHBondContact O-OG 3.08Å; C105-S146 VanDerWaalsContact O-OG 3.07Å
106N95.8Very high97.5Very high73 Ų7347.8 Ų47.839%0.3923%0.228SC..SBendtrans-87.1141.9-173.1-62.6-36.6000112D103 F104 E108 K109D103-N106 VanDerWaalsContact O-CB 3.31Å; D103-N106 WeakPolarHBondContact O-CB 3.48Å; D103-N106 PolarHBondContact O-N 2.91Å; D103-N106 PolarHBondContact O-ND2 3.45Å; F104-N106 VanDerWaalsContact C-N 3.34Å; N106-E108 PolarHBondContact O-N 3.28Å; N106-E108 VanDerWaalsContact O-N 3.09Å; N106-K109 PolarHBondContact O-N 3.23Å; N106-K109 VanDerWaalsContact O-N 3.09Å
107A95.3Very high97.4Very high38 Ų3852.6 Ų52.631%0.31425%0.249SC..G310 helixtrans-55.7-31.2-178.500000113.5K109 W110 S146A107-K109 PolarHBondContact O-N 2.97Å; A107-W110 PolarHBondContact O-N 3.03Å; A107-S146 VanDerWaalsContact CB-O 3.3Å; A107-S146 WeakPolarHBondContact CB-O 3.31Å
108E96.2Very high97.4Very high155 Ų15555.6 Ų55.672%0.72427%0.268SS*.G310 helixtrans-62-26.7-178.9-62.4-179.5173.600113.3R21 N106 W110R21-E108 VanDerWaalsContact CD-O 3.31Å; R21-E108 WeakPolarHBondContact CD-O 3.49Å; R21-E108 PolarHBondContact NE-O 3.05Å; N106-E108 PolarHBondContact O-N 3.28Å; N106-E108 VanDerWaalsContact O-N 3.09Å; E108-W110 PolarHBondContact O-N 2.81Å
109K97.3Very high97.4Very high24 Ų2452.7 Ų52.710%0.10425%0.252CS..G310 helixtrans-81.4-6.7177.5-49.9-55.9176.3161.90112.9R21 D103 F104 N106 A107R21-K109 PolarHBondContact N-O 2.89Å; D103-K109 WeakPolarHBondContact O-CG 3.34Å; D103-K109 WeakPolarHBondContact OD2-CE 3.21Å; D103-K109 IonicContact OD2-NZ 2.78Å; D103-K109 PolarHBondContact OD2-NZ 3.48Å; F104-K109 HydrophobicContact CD1-CB 4.09Å; F104-K109 HydrophobicContact CE1-CB 4.45Å; N106-K109 PolarHBondContact O-N 3.23Å; N106-K109 VanDerWaalsContact O-N 3.09Å; A107-K109 PolarHBondContact O-N 2.97Å
110W98.1Very high97.4Very high14 Ų1449.9 Ų49.95%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-120.4145.7-176-6097.4000111.1L18 K19 V20 R21 F104 A107 E108 F136 I143L18-W110 HydrophobicContact CD1-CD2 3.87Å; L18-W110 HydrophobicContact CD1-CE3 3.18Å; L18-W110 HydrophobicContact CD1-CG 4.47Å; L18-W110 HydrophobicContact CD1-CZ3 3.59Å; K19-W110 CarbonylContact O-C 3.47Å; K19-W110 WeakPolarHBondContact O-CA 3.04Å; V20-W110 HydrophobicContact CG2-CE3 4.16Å; V20-W110 HydrophobicContact CG2-CH2 3.91Å; V20-W110 HydrophobicContact CG2-CZ3 3.64Å; R21-W110 PolarHBondContact NE-O 3.24Å; R21-W110 PolarHBondContact NH2-O 3.28Å; F104-W110 PolarHBondContact O-NE1 2.95Å; A107-W110 PolarHBondContact O-N 3.03Å; E108-W110 PolarHBondContact O-N 2.81Å; W110-F136 HydrophobicContact CH2-CE2 4.13Å; W110-F136 AromaticContact CH2-CZ 3.58Å; W110-F136 HydrophobicContact CH2-CZ 3.58Å; W110-F136 AromaticContact CZ2-CZ 3.92Å; W110-F136 HydrophobicContact CZ2-CZ 3.92Å; W110-F136 HydrophobicContact CZ3-CZ 4.45Å; W110-I143 HydrophobicContact CD2-CG2 3.98Å; W110-I143 HydrophobicContact CG-CG2 3.98Å; W110-I143 HydrophobicContact CZ2-CD1 3.68Å; W110-I143 HydrophobicContact CZ2-CG1 4.42Å; W110-I143 HydrophobicContact CZ2-CG2 4.32Å
111E97.9Very high97.5Very high64 Ų6455.4 Ų55.430%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-118112.6172.1-174.2-176.8175.600108.3L18 K19 R21L18-E111 CarbonylContact C-O 3.6Å; L18-E111 WeakPolarHBondContact CA-O 3.22Å; L18-E111 WeakPolarHBondContact CB-O 3.35Å; K19-E111 WeakPolarHBondContact CE-OE2 3.49Å; K19-E111 HydrophobicContact CG-CB 4.17Å; K19-E111 PolarHBondContact N-O 3.38Å; K19-E111 IonicContact NZ-OE2 3.48Å; K19-E111 PolarHBondContact O-N 3.4Å; R21-E111 HydrophobicContact CB-CB 4.37Å
112V98.4Very high97.4Very high37 Ų3759.7 Ų59.722%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-74.7129.4171.4179.70000108.1L18 K117 C147 L149L18-V112 HydrophobicContact CB-CG2 4.38Å; V112-K117 HydrophobicContact CG1-CG 4.47Å; V112-C147 HydrophobicContact CG2-CB 3.87Å; V112-L149 HydrophobicContact CG1-CD1 4.17Å; V112-L149 HydrophobicContact CG1-CD2 4.25Å; V112-L149 HydrophobicContact CG2-CD1 4.08Å; V112-L149 HydrophobicContact CG2-CG 4.49Å
113F98.3Very high97.5Very high35 Ų3554.8 Ų54.815%0.15426%0.256CS..  trans-65.5149.5178.4-65.9-87.9000110.7D15 L17 K19 D115 S116D15-F113 WeakPolarHBondContact O-CE2 3.41Å; L17-F113 PolarHBondContact O-N 3.16Å; K19-F113 HydrophobicContact CB-CE2 4.13Å; K19-F113 HydrophobicContact CB-CZ 3.96Å; K19-F113 HydrophobicContact CD-CE1 3.91Å; K19-F113 HydrophobicContact CD-CZ 3.72Å; K19-F113 HydrophobicContact CG-CE1 4.37Å; K19-F113 HydrophobicContact CG-CE2 4.26Å; K19-F113 HydrophobicContact CG-CZ 3.89Å; F113-D115 VanDerWaalsContact CB-OD1 3.26Å; F113-D115 WeakPolarHBondContact CB-OD1 3.36Å; F113-D115 PolarHBondContact O-N 3.47Å; F113-S116 WeakPolarHBondContact CB-OG 3.44Å; F113-S116 VanDerWaalsContact O-CB 3.31Å; F113-S116 WeakPolarHBondContact O-CB 3.38Å; F113-S116 PolarHBondContact O-N 3.1Å; F113-S116 VanDerWaalsContact O-N 3.07Å; F113-S116 PolarHBondContact O-OG 3.41Å
114R97.4Very high97.6Very high247 Ų24756.8 Ų56.893%0.93227%0.272SS*.THydrogen-bonded Turntrans-60.3-32.2-172.8-65.6-177.9179.7178.7-0.3113.2
115D98.1Very high97.6Very high14 Ų1461.1 Ų61.18%0.07531%0.305CS..THydrogen-bonded Turntrans-84.8-11.3-17958.7-4.8000113.5F113 A119 R212 T229 L230F113-D115 VanDerWaalsContact CB-OD1 3.26Å; F113-D115 WeakPolarHBondContact CB-OD1 3.36Å; F113-D115 PolarHBondContact O-N 3.47Å; D115-A119 WeakPolarHBondContact O-CB 3.23Å; D115-A119 PolarHBondContact O-N 2.79Å; D115-R212 IonicContact OD1-CZ 2.86Å; D115-R212 IonicContact OD1-NH1 3.34Å; D115-R212 PolarHBondContact OD1-NH1 3.15Å; D115-R212 IonicContact OD1-NH2 3.86Å; D115-R212 PolarHBondContact OD1-NH2 2.99Å; D115-R212 IonicContact OD2-CZ 3.88Å; D115-R212 IonicContact OD2-NH1 2.71Å; D115-R212 PolarHBondContact OD2-NH1 2.84Å; D115-R212 IonicContact OD2-NH2 3.68Å; D115-R212 PolarHBondContact OD2-NH2 3.15Å; D115-T229 PolarHBondContact OD2-OG1 3.26Å; D115-L230 HydrophobicContact CB-CB 4.1Å; D115-L230 PolarHBondContact OD2-N 3.49Å
116S98.4Very high97.6Very high0 Ų062.7 Ų62.70%031%0.312CS..Hα-helixtrans-68.4-51.5-168.1-64.10000113.6L17 F113 A119 L120L17-S116 WeakPolarHBondContact CA-OG 3.32Å; L17-S116 PolarHBondContact O-OG 2.77Å; F113-S116 WeakPolarHBondContact CB-OG 3.44Å; F113-S116 VanDerWaalsContact O-CB 3.31Å; F113-S116 WeakPolarHBondContact O-CB 3.38Å; F113-S116 PolarHBondContact O-N 3.1Å; F113-S116 VanDerWaalsContact O-N 3.07Å; F113-S116 PolarHBondContact O-OG 3.41Å; S116-A119 PolarHBondContact O-N 3.47Å; S116-L120 VanDerWaalsContact O-CG 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.25Å; S116-L120 PolarHBondContact O-N 3.43Å; S116-L120 VanDerWaalsContact O-N 3.07Å
117K98.1Very high97.6Very high102 Ų10262.1 Ų62.144%0.44332%0.324SS..Hα-helixtrans-63.8-46.9-178-70.3-174176.5-174.50111.3V112 A119 L120 E121 L149V112-K117 HydrophobicContact CG1-CG 4.47Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 2.86Å; K117-L120 PolarHBondContact O-N 3.3Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 3.04Å; K117-L149 HydrophobicContact CG-CD2 3.8Å
118T98Very high97.8Very high63 Ų6360.6 Ų60.639%0.38731%0.31SS..Hα-helixtrans-62.1-39.9178.7-57.80000111.8E121 R122T118-E121 PolarHBondContact O-N 3.34Å; T118-R122 HydrophobicContact CG2-CG 4.37Å; T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 WeakPolarHBondContact O-CG 3.33Å; T118-R122 PolarHBondContact O-N 3.5Å
119A98.4Very high97.9Very high0 Ų059.1 Ų59.10%030%0.301CS..Hα-helixtrans-65-43.717600000112.7W11 D115 S116 K117 R122 C123 L230W11-A119 HydrophobicContact CH2-CB 4.17Å; D115-A119 WeakPolarHBondContact O-CB 3.23Å; D115-A119 PolarHBondContact O-N 2.79Å; S116-A119 PolarHBondContact O-N 3.47Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 2.86Å; A119-R122 PolarHBondContact O-N 3.19Å; A119-C123 WeakPolarHBondContact O-CB 3.11Å; A119-C123 PolarHBondContact O-N 3.33Å; A119-C123 PolarHBondContact O-SG 2.94Å; A119-L230 HydrophobicContact CB-CB 3.58Å; A119-L230 HydrophobicContact CB-CD1 4.48Å
120L98.7Very high98Very high1 Ų158.1 Ų58.11%0.00530%0.297CS..Hα-helixtrans-60.7-47.1175.8-66.6169.7000111.4W11 L17 S116 K117 R122 C123 S124 L130 L149 F153W11-L120 HydrophobicContact CD2-CD2 3.9Å; W11-L120 HydrophobicContact CE3-CD2 4.26Å; W11-L120 HydrophobicContact CG-CD2 4.4Å; W11-L120 HydrophobicContact CH2-CD2 4.19Å; W11-L120 HydrophobicContact CZ2-CD2 3.84Å; W11-L120 HydrophobicContact CZ3-CD2 4.39Å; L17-L120 HydrophobicContact CD1-CD1 4.3Å; L17-L120 HydrophobicContact CD1-CD2 4.21Å; L17-L120 HydrophobicContact CD2-CD1 4.32Å; L17-L120 HydrophobicContact CD2-CD2 4.4Å; L17-L120 HydrophobicContact CD2-CG 4.28Å; S116-L120 VanDerWaalsContact O-CG 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.25Å; S116-L120 PolarHBondContact O-N 3.43Å; S116-L120 VanDerWaalsContact O-N 3.07Å; K117-L120 PolarHBondContact O-N 3.3Å; L120-R122 PolarHBondContact O-N 2.84Å; L120-C123 PolarHBondContact O-N 3.45Å; L120-S124 PolarHBondContact O-N 3.29Å; L120-L130 HydrophobicContact CB-CD1 4.11Å; L120-L130 HydrophobicContact CD2-CD1 3.77Å; L120-L149 HydrophobicContact CD1-CD2 4.05Å; L120-F153 HydrophobicContact CD1-CE2 4.48Å; L120-F153 HydrophobicContact CD1-CZ 4.05Å; L120-F153 HydrophobicContact CD2-CE1 3.74Å; L120-F153 HydrophobicContact CD2-CZ 3.66Å
121E98.4Very high98Very high117 Ų11757.4 Ų57.455%0.54730%0.295SS..Hα-helixtrans-61.2-43177.7-73.2168.1-179.800112.4K117 T118 S124 S125K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 3.04Å; T118-E121 PolarHBondContact O-N 3.34Å; E121-S124 PolarHBondContact O-N 3.05Å; E121-S125 WeakPolarHBondContact O-CB 3.45Å; E121-S125 PolarHBondContact O-N 3.44Å; E121-S125 PolarHBondContact O-OG 2.98Å
122R98.3Very high98Very high106 Ų10654.4 Ų54.440%0.428%0.28SS..Hα-helixtrans-67.1-42.8177.6-73.1175.472.4-159.6-2.6111.6T118 A119 L120 S124 S125 L126 D231 P234T118-R122 HydrophobicContact CG2-CG 4.37Å; T118-R122 WeakPolarHBondContact O-CB 3.49Å; T118-R122 WeakPolarHBondContact O-CG 3.33Å; T118-R122 PolarHBondContact O-N 3.5Å; A119-R122 PolarHBondContact O-N 3.19Å; L120-R122 PolarHBondContact O-N 2.84Å; R122-S124 VanDerWaalsContact C-N 3.33Å; R122-S124 PolarHBondContact O-N 3.08Å; R122-S125 WeakPolarHBondContact O-CB 3.4Å; R122-S125 PolarHBondContact O-N 2.83Å; R122-L126 WeakPolarHBondContact O-CG 3.46Å; R122-L126 PolarHBondContact O-N 3.07Å; R122-L126 VanDerWaalsContact O-N 3.13Å; R122-D231 PolarHBondContact NH1-O 3.07Å; R122-P234 HydrophobicContact CB-CB 4.03Å; R122-P234 HydrophobicContact CB-CG 3.61Å
123C98Very high98.1Very high0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-61.6-42174.8-67.30000111.6W11 A119 L120 S125 L126 L128 L130W11-C123 HydrophobicContact CZ2-CB 4.39Å; A119-C123 WeakPolarHBondContact O-CB 3.11Å; A119-C123 PolarHBondContact O-N 3.33Å; A119-C123 PolarHBondContact O-SG 2.94Å; L120-C123 PolarHBondContact O-N 3.45Å; C123-S125 VanDerWaalsContact C-N 3.3Å; C123-S125 PolarHBondContact O-N 3.4Å; C123-L126 WeakPolarHBondContact O-CB 3.46Å; C123-L126 PolarHBondContact O-N 2.78Å; C123-L128 WeakPolarHBondContact O-CB 3.08Å; C123-L128 PolarHBondContact O-N 2.76Å; C123-L130 HydrophobicContact CB-CD2 3.83Å
124S97.6Very high98.1Very high72 Ų7251 Ų5150%0.50326%0.263SS..Hα-helixtrans-64.3-36.1175.2-172.90000112.2L120 E121 R122 L126 G127L120-S124 PolarHBondContact O-N 3.29Å; E121-S124 PolarHBondContact O-N 3.05Å; R122-S124 VanDerWaalsContact C-N 3.33Å; R122-S124 PolarHBondContact O-N 3.08Å; S124-L126 PolarHBondContact O-N 3.27Å; S124-G127 WeakPolarHBondContact O-CA 3.46Å; S124-G127 PolarHBondContact O-N 3.42Å
125S97.3Very high98.1Very high107 Ų10741.4 Ų41.475%0.74823%0.23SC*.Hα-helixtrans-69.1-22.1178.1-61.40000112.8E121 R122 C123 G127E121-S125 WeakPolarHBondContact O-CB 3.45Å; E121-S125 PolarHBondContact O-N 3.44Å; E121-S125 PolarHBondContact O-OG 2.98Å; R122-S125 WeakPolarHBondContact O-CB 3.4Å; R122-S125 PolarHBondContact O-N 2.83Å; C123-S125 VanDerWaalsContact C-N 3.3Å; C123-S125 PolarHBondContact O-N 3.4Å; S125-G127 PolarHBondContact O-N 2.96Å
126L95.9Very high98.1Very high47 Ų4741.4 Ų41.425%0.24623%0.229CC..THydrogen-bonded Turntrans-75.2-0167-63.4174.3000113R122 C123 S124 L128 P234R122-L126 WeakPolarHBondContact O-CG 3.46Å; R122-L126 PolarHBondContact O-N 3.07Å; R122-L126 VanDerWaalsContact O-N 3.13Å; C123-L126 WeakPolarHBondContact O-CB 3.46Å; C123-L126 PolarHBondContact O-N 2.78Å; S124-L126 PolarHBondContact O-N 3.27Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 HydrophobicContact CB-CD1 4.24Å; L126-L128 HydrophobicContact CB-CG 4.25Å; L126-L128 HydrophobicContact CD1-CD1 4.4Å; L126-P234 HydrophobicContact CD1-CB 4.09Å; L126-P234 WeakPolarHBondContact CD1-O 3.31Å
127G96.4Very high98.1Very high62 Ų6241.4 Ų41.464%0.63923%0.229SC*.THydrogen-bonded Turntrans79.812.9-17800000114.2S124 S125S124-G127 WeakPolarHBondContact O-CA 3.46Å; S124-G127 PolarHBondContact O-N 3.42Å; S125-G127 PolarHBondContact O-N 2.96Å
128L97.9Very high98Very high6 Ų640.7 Ų40.73%0.03123%0.23CC..  trans-82.1137.9177.4-58.5169.1000110.3L6 V9 C123 L126 L237 M241L6-L128 HydrophobicContact CB-CD2 3.89Å; V9-L128 HydrophobicContact CG2-CB 4.15Å; V9-L128 HydrophobicContact CG2-CD1 3.57Å; V9-L128 HydrophobicContact CG2-CG 4.37Å; C123-L128 WeakPolarHBondContact O-CB 3.08Å; C123-L128 PolarHBondContact O-N 2.76Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 HydrophobicContact CB-CD1 4.24Å; L126-L128 HydrophobicContact CB-CG 4.25Å; L126-L128 HydrophobicContact CD1-CD1 4.4Å; L128-L237 HydrophobicContact CD1-CB 4.28Å; L128-L237 HydrophobicContact CD1-CD1 3.95Å; L128-M241 HydrophobicContact CD1-SD 4.43Å; L128-M241 HydrophobicContact CD2-CE 4.45Å; L128-M241 HydrophobicContact CD2-SD 4.17Å; L128-M241 HydrophobicContact CG-SD 4.49Å
129K98.6Very high98Very high123 Ų12338.7 Ų38.754%0.53522%0.215SC..EExtended strand (participates in β ladder)trans-83.9145.2168.3-65.3-178.6179.1-176.20109.7R7 W8 V9R7-K129 PolarHBondContact O-N 3.38Å; W8-K129 CarbonylContact C-O 3.54Å; W8-K129 VanDerWaalsContact CA-O 3.26Å; W8-K129 WeakPolarHBondContact CA-O 3.48Å; W8-K129 HydrophobicContact CD2-CB 3.6Å; W8-K129 HydrophobicContact CD2-CD 4.47Å; W8-K129 HydrophobicContact CE3-CB 3.39Å; W8-K129 HydrophobicContact CG-CB 4.42Å; W8-K129 HydrophobicContact CH2-CB 3.69Å; W8-K129 HydrophobicContact CH2-CD 3.67Å; W8-K129 HydrophobicContact CH2-CG 4.34Å; W8-K129 HydrophobicContact CZ2-CB 3.9Å; W8-K129 HydrophobicContact CZ2-CD 3.4Å; W8-K129 HydrophobicContact CZ2-CG 4.31Å; W8-K129 HydrophobicContact CZ3-CB 3.43Å; W8-K129 VanDerWaalsContact CZ3-CB 3.43Å; W8-K129 HydrophobicContact CZ3-CD 4.31Å; V9-K129 PolarHBondContact N-O 3.4Å
130L98.9Very high98Very high3 Ų338.7 Ų38.72%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-111.8138.8-176.4-42.4-179.3000110V9 L120 C123 S152 F153 S154V9-L130 HydrophobicContact CB-CD2 4.09Å; V9-L130 HydrophobicContact CG2-CD2 4.41Å; V9-L130 WeakPolarHBondContact O-CA 3.5Å; L120-L130 HydrophobicContact CB-CD1 4.11Å; L120-L130 HydrophobicContact CD2-CD1 3.77Å; C123-L130 HydrophobicContact CB-CD2 3.83Å; L130-S152 WeakPolarHBondContact CB-O 3.29Å; L130-F153 HydrophobicContact CB-CD1 3.75Å; L130-F153 HydrophobicContact CB-CE1 4.14Å; L130-F153 WeakPolarHBondContact O-CA 3.34Å; L130-S154 PolarHBondContact O-N 2.96Å
131G98.8Very high98Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-137160.9173.700000111V9 L10 W11V9-G131 PolarHBondContact O-N 2.98Å; L10-G131 CarbonylContact C-O 3.55Å; L10-G131 VanDerWaalsContact CA-O 3.3Å; L10-G131 WeakPolarHBondContact CA-O 3.42Å; W11-G131 PolarHBondContact N-O 3.11Å
132V98.9Very high98Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-109.5136.8178.5176.70000110.7W11 I13 L140 L144 F153 F155 V156 V157W11-V132 WeakPolarHBondContact O-CA 3.24Å; I13-V132 HydrophobicContact CD1-CB 4.32Å; I13-V132 HydrophobicContact CD1-CG1 3.65Å; I13-V132 HydrophobicContact CD1-CG2 3.73Å; I13-V132 HydrophobicContact CG1-CG1 3.42Å; I13-V132 VanDerWaalsContact CG1-CG1 3.42Å; I13-V132 HydrophobicContact CG1-CG2 4.41Å; V132-L140 HydrophobicContact CG1-CD2 3.9Å; V132-L144 HydrophobicContact CG2-CD1 4.17Å; V132-F153 HydrophobicContact CG2-CB 4.18Å; V132-F153 HydrophobicContact CG2-CD1 3.49Å; V132-F153 VanDerWaalsContact CG2-CD1 3.49Å; V132-F153 HydrophobicContact CG2-CD2 3.73Å; V132-F153 HydrophobicContact CG2-CE1 3.7Å; V132-F153 HydrophobicContact CG2-CE2 3.92Å; V132-F153 HydrophobicContact CG2-CG 3.51Å; V132-F153 HydrophobicContact CG2-CZ 3.91Å; V132-F155 PolarHBondContact N-O 3.06Å; V132-V156 HydrophobicContact CB-CB 4.31Å; V132-V156 HydrophobicContact CB-CG1 4.08Å; V132-V156 HydrophobicContact CB-CG2 4.2Å; V132-V156 HydrophobicContact CG1-CG1 4.06Å; V132-V156 HydrophobicContact CG2-CG2 4.2Å; V132-V157 PolarHBondContact O-N 3.12Å
133V98.8Very high98Very high0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-135102.7169.1-174.20000109L10 W11 V157 K166 I171 F172 A175L10-V133 HydrophobicContact CB-CG2 4.24Å; L10-V133 HydrophobicContact CD1-CG2 3.97Å; L10-V133 HydrophobicContact CD2-CG2 4.44Å; L10-V133 HydrophobicContact CG-CG2 4.45Å; W11-V133 PolarHBondContact O-N 3.49Å; V133-V157 WeakPolarHBondContact CA-O 3.36Å; V133-K166 HydrophobicContact CG1-CD 4.22Å; V133-K166 PolarHBondContact O-NZ 3.17Å; V133-K166 VanDerWaalsContact O-NZ 3.08Å; V133-I171 HydrophobicContact CG1-CD1 3.83Å; V133-I171 HydrophobicContact CG1-CG1 3.92Å; V133-I171 HydrophobicContact CG1-CG2 4.14Å; V133-F172 HydrophobicContact CB-CE1 4.41Å; V133-F172 HydrophobicContact CG1-CD1 4.31Å; V133-F172 HydrophobicContact CG1-CE1 4.07Å; V133-F172 HydrophobicContact CG1-CZ 4.49Å; V133-A175 HydrophobicContact CG2-CB 3.5Å; V133-A175 VanDerWaalsContact CG2-CB 3.5Å
134S98.7Very high98Very high1 Ų135.2 Ų35.21%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-134.7141.5-171.3-164.40000112.8D12 F136 V157 T158 S159D12-S134 WeakPolarHBondContact OD1-CA 3.06Å; D12-S134 WeakPolarHBondContact OD1-CB 3.46Å; D12-S134 PolarHBondContact OD1-OG 3.43Å; S134-F136 PolarHBondContact O-N 2.82Å; S134-V157 PolarHBondContact N-O 2.79Å; S134-T158 CarbonylContact O-C 3.53Å; S134-T158 WeakPolarHBondContact O-CA 3.5Å; S134-S159 PolarHBondContact O-N 3.42Å
135N98.5Very high98Very high45 Ų4538.8 Ų38.824%0.24121%0.211CC..SBendtrans-76.375.3166.6-77.51.8000108.7Y62 S159 A165 K166Y62-N135 PolarHBondContact OH-O 3.25Å; N135-S159 WeakPolarHBondContact CA-OG 3.37Å; N135-A165 WeakPolarHBondContact OD1-CA 3.48Å; N135-K166 PolarHBondContact ND2-O 2.93Å; N135-K166 WeakPolarHBondContact OD1-CB 3.31Å; N135-K166 PolarHBondContact OD1-N 2.62Å
136F98.4Very high98.1Very high14 Ų1436.2 Ų36.26%0.06119%0.193CC..  trans-134.1160.6-176.2-136.6-78.7000109.8K14 Y62 W110 S134 L140 I143 T158 S159 E160K14-F136 HydrophobicContact CB-CE2 4.31Å; Y62-F136 VanDerWaalsContact CE2-C 3.5Å; Y62-F136 WeakPolarHBondContact CE2-O 3.48Å; Y62-F136 WeakPolarHBondContact OH-CA 3.41Å; Y62-F136 PolarHBondContact OH-N 2.95Å; W110-F136 HydrophobicContact CH2-CE2 4.13Å; W110-F136 AromaticContact CH2-CZ 3.58Å; W110-F136 HydrophobicContact CH2-CZ 3.58Å; W110-F136 AromaticContact CZ2-CZ 3.92Å; W110-F136 HydrophobicContact CZ2-CZ 3.92Å; W110-F136 HydrophobicContact CZ3-CZ 4.45Å; S134-F136 PolarHBondContact O-N 2.82Å; F136-L140 HydrophobicContact CB-CB 4.09Å; F136-L140 HydrophobicContact CB-CD1 4.4Å; F136-L140 HydrophobicContact CB-CD2 3.79Å; F136-L140 HydrophobicContact CB-CG 4.32Å; F136-L140 HydrophobicContact CD1-CB 3.75Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CD2-CD1 3.8Å; F136-L140 HydrophobicContact CE1-CB 4.4Å; F136-L140 HydrophobicContact CE1-CD1 4.21Å; F136-L140 HydrophobicContact CE2-CD1 3.98Å; F136-L140 HydrophobicContact CG-CB 3.99Å; F136-L140 HydrophobicContact CG-CD1 3.81Å; F136-L140 HydrophobicContact CG-CD2 4.13Å; F136-L140 HydrophobicContact CG-CG 4.19Å; F136-L140 HydrophobicContact CZ-CD1 4.17Å; F136-I143 HydrophobicContact CE1-CD1 3.61Å; F136-I143 HydrophobicContact CZ-CD1 3.85Å; F136-T158 WeakPolarHBondContact O-CB 3.38Å; F136-S159 PolarHBondContact O-N 2.93Å; F136-S159 PolarHBondContact O-OG 3.49Å; F136-E160 PolarHBondContact O-N 3.06Å
137D97.8Very high98.2Very high1 Ų134.7 Ų34.71%0.00519%0.186CC..  trans-82.5174167.766.373.7000111.8Y62 W74 R139 L140 E160Y62-D137 HydrophobicContact CD1-CB 4.47Å; Y62-D137 HydrophobicContact CD2-CB 4.48Å; Y62-D137 HydrophobicContact CE1-CB 4.22Å; Y62-D137 HydrophobicContact CE2-CB 4.21Å; Y62-D137 PolarHBondContact OH-N 2.83Å; W74-D137 PolarHBondContact NE1-OD2 3.34Å; D137-R139 PolarHBondContact O-N 3.5Å; D137-R139 WeakPolarHBondContact OD1-CB 3.35Å; D137-R139 VanDerWaalsContact OD1-CG 3.24Å; D137-R139 WeakPolarHBondContact OD1-CG 3.43Å; D137-R139 IonicContact OD1-CZ 2.82Å; D137-R139 PolarHBondContact OD1-N 3.2Å; D137-R139 IonicContact OD1-NE 3.68Å; D137-R139 PolarHBondContact OD1-NE 2.99Å; D137-R139 IonicContact OD1-NH2 3.27Å; D137-R139 IonicContact OD2-CZ 3.42Å; D137-R139 IonicContact OD2-NE 2.74Å; D137-R139 PolarHBondContact OD2-NE 3.44Å; D137-R139 IonicContact OD2-NH2 2.76Å; D137-R139 PolarHBondContact OD2-NH2 3.39Å; D137-L140 PolarHBondContact O-N 3.07Å; D137-E160 VanDerWaalsContact CA-OE2 3.22Å; D137-E160 WeakPolarHBondContact CA-OE2 3.24Å; D137-E160 WeakPolarHBondContact CB-OE2 3.14Å
138N95.7Very high98.3Very high86 Ų8633.9 Ų33.946%0.4618%0.177SC..THydrogen-bonded Turntrans-66.2-6.3-173.9-70.1-25.5000114.8L140 T158 E160 E161N138-L140 PolarHBondContact O-N 3.5Å; N138-T158 PolarHBondContact OD1-OG1 2.93Å; N138-E160 PolarHBondContact N-OE2 3.11Å; N138-E160 PolarHBondContact ND2-OE1 3Å; N138-E160 PolarHBondContact ND2-OE2 3.46Å; N138-E161 PolarHBondContact OD1-N 2.92Å
139R97.9Very high98.3Very high21 Ų2133.6 Ų33.68%0.07918%0.176CC..THydrogen-bonded Turntrans-72.1-14171.9-63.7175.2-71.8170.76.2113.5Y101 C105 D137 E141 T142 I143Y101-R139 VanDerWaalsContact CD2-NH1 3.34Å; Y101-R139 HydrophobicContact CE1-CG 4.4Å; Y101-R139 VanDerWaalsContact CE2-NE 3.34Å; Y101-R139 PolarHBondContact O-NH1 3.18Å; Y101-R139 VanDerWaalsContact O-NH1 3.13Å; Y101-R139 WeakPolarHBondContact OH-CD 3.48Å; Y101-R139 WeakPolarHBondContact OH-CG 3.31Å; C105-R139 VanDerWaalsContact SG-CD 3.53Å; D137-R139 PolarHBondContact O-N 3.5Å; D137-R139 WeakPolarHBondContact OD1-CB 3.35Å; D137-R139 VanDerWaalsContact OD1-CG 3.24Å; D137-R139 WeakPolarHBondContact OD1-CG 3.43Å; D137-R139 IonicContact OD1-CZ 2.82Å; D137-R139 PolarHBondContact OD1-N 3.2Å; D137-R139 IonicContact OD1-NE 3.68Å; D137-R139 PolarHBondContact OD1-NE 2.99Å; D137-R139 IonicContact OD1-NH2 3.27Å; D137-R139 IonicContact OD2-CZ 3.42Å; D137-R139 IonicContact OD2-NE 2.74Å; D137-R139 PolarHBondContact OD2-NE 3.44Å; D137-R139 IonicContact OD2-NH2 2.76Å; D137-R139 PolarHBondContact OD2-NH2 3.39Å; R139-E141 VanDerWaalsContact C-N 3.26Å; R139-E141 PolarHBondContact O-N 3.43Å; R139-T142 WeakPolarHBondContact O-CB 3.41Å; R139-T142 PolarHBondContact O-N 2.75Å; R139-I143 HydrophobicContact CB-CD1 4.04Å; R139-I143 PolarHBondContact O-N 3.43Å
140L98.4Very high98.3Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-53.4-41.8-172.7-175.258.3000113I13 V132 F136 D137 N138 T142 I143 L144 V156 T158I13-L140 HydrophobicContact CB-CD1 4.13Å; I13-L140 HydrophobicContact CG1-CD1 4.1Å; I13-L140 HydrophobicContact CG1-CD2 3.99Å; I13-L140 HydrophobicContact CG1-CG 4.49Å; I13-L140 HydrophobicContact CG2-CD1 3.86Å; V132-L140 HydrophobicContact CG1-CD2 3.9Å; F136-L140 HydrophobicContact CB-CB 4.09Å; F136-L140 HydrophobicContact CB-CD1 4.4Å; F136-L140 HydrophobicContact CB-CD2 3.79Å; F136-L140 HydrophobicContact CB-CG 4.32Å; F136-L140 HydrophobicContact CD1-CB 3.75Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CD2-CD1 3.8Å; F136-L140 HydrophobicContact CE1-CB 4.4Å; F136-L140 HydrophobicContact CE1-CD1 4.21Å; F136-L140 HydrophobicContact CE2-CD1 3.98Å; F136-L140 HydrophobicContact CG-CB 3.99Å; F136-L140 HydrophobicContact CG-CD1 3.81Å; F136-L140 HydrophobicContact CG-CD2 4.13Å; F136-L140 HydrophobicContact CG-CG 4.19Å; F136-L140 HydrophobicContact CZ-CD1 4.17Å; D137-L140 PolarHBondContact O-N 3.07Å; N138-L140 PolarHBondContact O-N 3.5Å; L140-T142 PolarHBondContact O-N 3.2Å; L140-I143 PolarHBondContact O-N 2.78Å; L140-L144 HydrophobicContact CD1-CD1 4.37Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.03Å; L140-L144 HydrophobicContact CG-CG 4.27Å; L140-L144 WeakPolarHBondContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.42Å; L140-V156 HydrophobicContact CD2-CG1 3.92Å; L140-V156 HydrophobicContact CG-CG1 4.37Å; L140-T158 HydrophobicContact CB-CG2 3.86Å; L140-T158 HydrophobicContact CD2-CG2 4.02Å
141E97.9Very high98.2Very high90 Ų9034.8 Ų34.842%0.42120%0.197SC..Hα-helixtrans-62.3-43.8179.8-163.8-171.2126.700111.7R139 I143 L144 R145 L150R139-E141 VanDerWaalsContact C-N 3.26Å; R139-E141 PolarHBondContact O-N 3.43Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 2.91Å; E141-L144 PolarHBondContact O-N 3.03Å; E141-R145 WeakPolarHBondContact O-CB 3.26Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.97Å; E141-R145 IonicContact OE1-NH2 3.44Å; E141-R145 PolarHBondContact OE1-NH2 3.1Å; E141-L150 HydrophobicContact CG-CD1 3.61Å; E141-L150 HydrophobicContact CG-CD2 3.77Å; E141-L150 HydrophobicContact CG-CG 4.36Å
142T98.3Very high98.2Very high62 Ų6236.8 Ų36.838%0.3821%0.211SC..Hα-helixtrans-61.6-43.7175.2-56.90000111.1C105 R139 L140 R145 S146C105-T142 HydrophobicContact CB-CG2 4.02Å; R139-T142 WeakPolarHBondContact O-CB 3.41Å; R139-T142 PolarHBondContact O-N 2.75Å; L140-T142 PolarHBondContact O-N 3.2Å; T142-R145 WeakPolarHBondContact O-CB 3.36Å; T142-R145 PolarHBondContact O-N 3.03Å; T142-S146 PolarHBondContact O-N 2.61Å; T142-S146 PolarHBondContact O-OG 3.43Å
143I98.6Very high98.2Very high0 Ų037.8 Ų37.80%022%0.215CC..Hα-helixtrans-61.6-49.2178-68.6161.7000110.7W110 F136 R139 L140 E141 R145 S146 C147W110-I143 HydrophobicContact CD2-CG2 3.98Å; W110-I143 HydrophobicContact CG-CG2 3.98Å; W110-I143 HydrophobicContact CZ2-CD1 3.68Å; W110-I143 HydrophobicContact CZ2-CG1 4.42Å; W110-I143 HydrophobicContact CZ2-CG2 4.32Å; F136-I143 HydrophobicContact CE1-CD1 3.61Å; F136-I143 HydrophobicContact CZ-CD1 3.85Å; R139-I143 HydrophobicContact CB-CD1 4.04Å; R139-I143 PolarHBondContact O-N 3.43Å; L140-I143 PolarHBondContact O-N 2.78Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 2.91Å; I143-R145 PolarHBondContact O-N 3.17Å; I143-S146 PolarHBondContact O-N 2.76Å; I143-C147 WeakPolarHBondContact O-CB 3.19Å; I143-C147 PolarHBondContact O-N 3.15Å; I143-C147 PolarHBondContact O-SG 2.97Å; I143-C147 VanDerWaalsContact O-SG 3.37Å
144L98.7Very high98.2Very high0 Ų041.4 Ų41.40%024%0.241CC..Hα-helixtrans-60.5-36.3177.8-70.7175000111.8I13 L18 V132 L140 E141 G148 L149 L150 F153 V156I13-L144 HydrophobicContact CD1-CD1 4.31Å; I13-L144 HydrophobicContact CD1-CD2 3.96Å; I13-L144 HydrophobicContact CG1-CD1 4.47Å; I13-L144 HydrophobicContact CG1-CD2 4.33Å; I13-L144 HydrophobicContact CG2-CD2 3.93Å; L18-L144 HydrophobicContact CD2-CD2 4.01Å; V132-L144 HydrophobicContact CG2-CD1 4.17Å; L140-L144 HydrophobicContact CD1-CD1 4.37Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.03Å; L140-L144 HydrophobicContact CG-CG 4.27Å; L140-L144 WeakPolarHBondContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 3.42Å; E141-L144 PolarHBondContact O-N 3.03Å; L144-G148 PolarHBondContact O-N 3.16Å; L144-L149 HydrophobicContact CD2-CB 4.06Å; L144-L149 HydrophobicContact CD2-CD1 4.23Å; L144-L149 PolarHBondContact O-N 3.23Å; L144-L150 HydrophobicContact CB-CB 4Å; L144-L150 HydrophobicContact CB-CD1 4.34Å; L144-L150 PolarHBondContact O-N 2.82Å; L144-L150 VanDerWaalsContact O-N 3.09Å; L144-F153 HydrophobicContact CD1-CD2 4.42Å; L144-F153 HydrophobicContact CD1-CE2 4.49Å; L144-F153 HydrophobicContact CD2-CE2 4.45Å; L144-V156 HydrophobicContact CD1-CG2 4.09Å
145R98.5Very high98.2Very high147 Ų14742.7 Ų42.756%0.55525%0.246SC*.Hα-helixtrans-65.2-49.8175.5-164.7-179.8-59.5162.32.3111E141 T142 I143 C147 G148 L150E141-R145 WeakPolarHBondContact O-CB 3.26Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.97Å; E141-R145 IonicContact OE1-NH2 3.44Å; E141-R145 PolarHBondContact OE1-NH2 3.1Å; T142-R145 WeakPolarHBondContact O-CB 3.36Å; T142-R145 PolarHBondContact O-N 3.03Å; I143-R145 PolarHBondContact O-N 3.17Å; R145-C147 VanDerWaalsContact C-N 3.27Å; R145-C147 PolarHBondContact O-N 2.69Å; R145-G148 PolarHBondContact O-N 2.72Å; R145-L150 HydrophobicContact CB-CB 4.21Å; R145-L150 HydrophobicContact CB-CD2 3.82Å; R145-L150 HydrophobicContact CG-CD2 4.08Å
146S97.9Very high98.2Very high53 Ų5341.3 Ų41.337%0.37124%0.24SC..Hα-helixtrans-59.2-37.8177.5-61.50000112C105 A107 T142 I143 G148C105-S146 PolarHBondContact O-OG 3.08Å; C105-S146 VanDerWaalsContact O-OG 3.07Å; A107-S146 VanDerWaalsContact CB-O 3.3Å; A107-S146 WeakPolarHBondContact CB-O 3.31Å; T142-S146 PolarHBondContact O-N 2.61Å; T142-S146 PolarHBondContact O-OG 3.43Å; I143-S146 PolarHBondContact O-N 2.76Å; S146-G148 VanDerWaalsContact C-N 3.27Å; S146-G148 PolarHBondContact O-N 3.42Å
147C98.1Very high98.2Very high15 Ų1540.8 Ų40.810%0.10124%0.237CC..THydrogen-bonded Turntrans-79.7-3.6177-66.90000114.2V112 I143 R145 L149V112-C147 HydrophobicContact CG2-CB 3.87Å; I143-C147 WeakPolarHBondContact O-CB 3.19Å; I143-C147 PolarHBondContact O-N 3.15Å; I143-C147 PolarHBondContact O-SG 2.97Å; I143-C147 VanDerWaalsContact O-SG 3.37Å; R145-C147 VanDerWaalsContact C-N 3.27Å; R145-C147 PolarHBondContact O-N 2.69Å; C147-L149 HydrophobicContact CB-CD1 4.42Å; C147-L149 HydrophobicContact CB-CG 4.3Å
148G98Very high98.3Very high44 Ų4440.9 Ų40.945%0.45424%0.238SC..THydrogen-bonded Turntrans68.132.3-178.800000113.9L144 R145 S146L144-G148 PolarHBondContact O-N 3.16Å; R145-G148 PolarHBondContact O-N 2.72Å; S146-G148 VanDerWaalsContact C-N 3.27Å; S146-G148 PolarHBondContact O-N 3.42Å
149L98.6Very high98.4Very high1 Ų136.9 Ų36.91%0.00522%0.217CC..  trans-111.3-21.6178.6-61.6-179.1000113.1L18 V112 K117 L120 L144 C147 S151 S152 F153L18-L149 HydrophobicContact CD2-CD1 3.92Å; V112-L149 HydrophobicContact CG1-CD1 4.17Å; V112-L149 HydrophobicContact CG1-CD2 4.25Å; V112-L149 HydrophobicContact CG2-CD1 4.08Å; V112-L149 HydrophobicContact CG2-CG 4.49Å; K117-L149 HydrophobicContact CG-CD2 3.8Å; L120-L149 HydrophobicContact CD1-CD2 4.05Å; L144-L149 HydrophobicContact CD2-CB 4.06Å; L144-L149 HydrophobicContact CD2-CD1 4.23Å; L144-L149 PolarHBondContact O-N 3.23Å; C147-L149 HydrophobicContact CB-CD1 4.42Å; C147-L149 HydrophobicContact CB-CG 4.3Å; L149-S151 VanDerWaalsContact C-N 3.26Å; L149-S151 PolarHBondContact O-N 2.74Å; L149-S152 WeakPolarHBondContact O-CB 3.22Å; L149-S152 PolarHBondContact O-N 3.24Å; L149-S152 PolarHBondContact O-OG 3.46Å; L149-F153 HydrophobicContact CB-CE2 4.32Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.26Å; L149-F153 WeakPolarHBondContact O-CE2 3.46Å
150L98.6Very high98.4Very high34 Ų3437.2 Ų37.218%0.17822%0.219CC..G310 helixtrans-56.7-38.8-173.3-17963.2000113.1E141 L144 R145 S152 F153 V156E141-L150 HydrophobicContact CG-CD1 3.61Å; E141-L150 HydrophobicContact CG-CD2 3.77Å; E141-L150 HydrophobicContact CG-CG 4.36Å; L144-L150 HydrophobicContact CB-CB 4Å; L144-L150 HydrophobicContact CB-CD1 4.34Å; L144-L150 PolarHBondContact O-N 2.82Å; L144-L150 VanDerWaalsContact O-N 3.09Å; R145-L150 HydrophobicContact CB-CB 4.21Å; R145-L150 HydrophobicContact CB-CD2 3.82Å; R145-L150 HydrophobicContact CG-CD2 4.08Å; L150-S152 PolarHBondContact O-N 3.18Å; L150-S152 VanDerWaalsContact O-N 3.12Å; L150-F153 PolarHBondContact O-N 2.87Å; L150-V156 HydrophobicContact CD1-CG2 4.06Å
151S98.2Very high98.3Very high116 Ų11642.5 Ų42.581%0.81124%0.244SC*.G310 helixtrans-64.6-14.9-178.653.30000114.2L149 F153L149-S151 VanDerWaalsContact C-N 3.26Å; L149-S151 PolarHBondContact O-N 2.74Å; S151-F153 VanDerWaalsContact C-N 3.32Å
152S98.6Very high98.2Very high43 Ų4338.8 Ų38.830%0.30123%0.229SC..G310 helixtrans-76.6-19.8175.2-580000112.6L130 L149 L150L130-S152 WeakPolarHBondContact CB-O 3.29Å; L149-S152 WeakPolarHBondContact O-CB 3.22Å; L149-S152 PolarHBondContact O-N 3.24Å; L149-S152 PolarHBondContact O-OG 3.46Å; L150-S152 PolarHBondContact O-N 3.18Å; L150-S152 VanDerWaalsContact O-N 3.12Å
153F98.8Very high98.1Very high20 Ų2038.2 Ų38.29%0.08824%0.235CC..  trans-106.8137.8-171.3-56.7-72.6000112.4W11 I13 L17 L120 L130 V132 L144 L149 L150 S151W11-F153 HydrophobicContact CB-CE1 4.1Å; W11-F153 AromaticContact CD1-CE1 3.75Å; W11-F153 AromaticContact CG-CE1 3.92Å; W11-F153 HydrophobicContact CG-CE1 3.92Å; I13-F153 HydrophobicContact CD1-CZ 4.34Å; L17-F153 HydrophobicContact CD1-CE1 4.47Å; L17-F153 HydrophobicContact CD1-CE2 4.48Å; L17-F153 HydrophobicContact CD1-CZ 3.63Å; L120-F153 HydrophobicContact CD1-CE2 4.48Å; L120-F153 HydrophobicContact CD1-CZ 4.05Å; L120-F153 HydrophobicContact CD2-CE1 3.74Å; L120-F153 HydrophobicContact CD2-CZ 3.66Å; L130-F153 HydrophobicContact CB-CD1 3.75Å; L130-F153 HydrophobicContact CB-CE1 4.14Å; L130-F153 WeakPolarHBondContact O-CA 3.34Å; V132-F153 HydrophobicContact CG2-CB 4.18Å; V132-F153 HydrophobicContact CG2-CD1 3.49Å; V132-F153 VanDerWaalsContact CG2-CD1 3.49Å; V132-F153 HydrophobicContact CG2-CD2 3.73Å; V132-F153 HydrophobicContact CG2-CE1 3.7Å; V132-F153 HydrophobicContact CG2-CE2 3.92Å; V132-F153 HydrophobicContact CG2-CG 3.51Å; V132-F153 HydrophobicContact CG2-CZ 3.91Å; L144-F153 HydrophobicContact CD1-CD2 4.42Å; L144-F153 HydrophobicContact CD1-CE2 4.49Å; L144-F153 HydrophobicContact CD2-CE2 4.45Å; L149-F153 HydrophobicContact CB-CE2 4.32Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.26Å; L149-F153 WeakPolarHBondContact O-CE2 3.46Å; L150-F153 PolarHBondContact O-N 2.87Å; S151-F153 VanDerWaalsContact C-N 3.32Å
154S98.7Very high98.1Very high77 Ų7739.9 Ų39.954%0.53825%0.245SC..SBendtrans-77.7-25.4174-58.30000112.7L130L130-S154 PolarHBondContact O-N 2.96Å
155F98.7Very high98Very high27 Ų2741.1 Ų41.112%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-158161.717565.2-102000111.1W8 L10 V132 V157 A175 K178W8-F155 HydrophobicContact CE3-CE1 4.08Å; W8-F155 HydrophobicContact CH2-CD1 4.09Å; W8-F155 AromaticContact CH2-CE1 3.86Å; W8-F155 HydrophobicContact CH2-CE1 3.86Å; W8-F155 AromaticContact CZ3-CD1 3.92Å; W8-F155 HydrophobicContact CZ3-CD1 3.92Å; W8-F155 AromaticContact CZ3-CE1 3.51Å; W8-F155 HydrophobicContact CZ3-CE1 3.51Å; L10-F155 HydrophobicContact CD2-CE2 4.22Å; L10-F155 HydrophobicContact CD2-CZ 3.64Å; V132-F155 PolarHBondContact N-O 3.06Å; F155-V157 HydrophobicContact CD2-CG2 3.84Å; F155-V157 HydrophobicContact CE2-CG2 3.9Å; F155-A175 HydrophobicContact CE2-CB 4.34Å; F155-A175 HydrophobicContact CZ-CB 4.43Å; F155-K178 HydrophobicContact CB-CD 4.19Å; F155-K178 HydrophobicContact CD1-CB 3.79Å; F155-K178 HydrophobicContact CD2-CB 4.33Å; F155-K178 HydrophobicContact CD2-CD 3.86Å; F155-K178 HydrophobicContact CE1-CB 3.72Å; F155-K178 HydrophobicContact CE2-CB 4.28Å; F155-K178 HydrophobicContact CE2-CD 4.34Å; F155-K178 HydrophobicContact CG-CB 4.1Å; F155-K178 HydrophobicContact CG-CD 3.95Å; F155-K178 HydrophobicContact CZ-CB 3.97Å
156V98.8Very high98Very high17 Ų1734.3 Ų34.310%0.10323%0.229CC..EExtended strand (participates in β ladder)trans-120.8138169.1-178.40000109.2V132 L140 L144 L150 T158V132-V156 HydrophobicContact CB-CB 4.31Å; V132-V156 HydrophobicContact CB-CG1 4.08Å; V132-V156 HydrophobicContact CB-CG2 4.2Å; V132-V156 HydrophobicContact CG1-CG1 4.06Å; V132-V156 HydrophobicContact CG2-CG2 4.2Å; L140-V156 HydrophobicContact CD2-CG1 3.92Å; L140-V156 HydrophobicContact CG-CG1 4.37Å; L144-V156 HydrophobicContact CD1-CG2 4.09Å; L150-V156 HydrophobicContact CD1-CG2 4.06Å; V156-T158 HydrophobicContact CG1-CG2 4.03Å
157V98.5Very high98Very high2 Ų234.7 Ų34.71%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-125.4111.5168.7179.70000107.8V132 V133 S134 F155 A162 I171 K178V132-V157 PolarHBondContact O-N 3.12Å; V133-V157 WeakPolarHBondContact CA-O 3.36Å; S134-V157 PolarHBondContact N-O 2.79Å; F155-V157 HydrophobicContact CD2-CG2 3.84Å; F155-V157 HydrophobicContact CE2-CG2 3.9Å; V157-A162 HydrophobicContact CG1-CB 4.02Å; V157-I171 HydrophobicContact CG1-CD1 4.27Å; V157-I171 HydrophobicContact CG1-CG1 3.84Å; V157-K178 HydrophobicContact CG2-CD 3.77Å
158T98.7Very high98Very high4 Ų435.8 Ų35.83%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-93.3154.2171.870.30000109.5S134 F136 N138 L140 V156 E160 E161 A162S134-T158 CarbonylContact O-C 3.53Å; S134-T158 WeakPolarHBondContact O-CA 3.5Å; F136-T158 WeakPolarHBondContact O-CB 3.38Å; N138-T158 PolarHBondContact OD1-OG1 2.93Å; L140-T158 HydrophobicContact CB-CG2 3.86Å; L140-T158 HydrophobicContact CD2-CG2 4.02Å; V156-T158 HydrophobicContact CG1-CG2 4.03Å; T158-E160 PolarHBondContact O-N 3.19Å; T158-E161 PolarHBondContact O-N 3.42Å; T158-E161 VanDerWaalsContact OG1-CB 3.25Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 PolarHBondContact OG1-N 2.82Å; T158-A162 VanDerWaalsContact O-CB 3.23Å; T158-A162 WeakPolarHBondContact O-CB 3.43Å; T158-A162 PolarHBondContact O-N 3.12Å
159S98.4Very high98Very high1 Ų136.4 Ų36.41%0.00723%0.234CC..THydrogen-bonded Turntrans-68.7-25.6175.364.80000112.7N61 S134 N135 F136 G163 V164N61-S159 PolarHBondContact ND2-O 3.35Å; N61-S159 VanDerWaalsContact OD1-CB 3.23Å; N61-S159 WeakPolarHBondContact OD1-CB 3.38Å; N61-S159 PolarHBondContact OD1-O 3Å; N61-S159 PolarHBondContact OD1-OG 3.1Å; S134-S159 PolarHBondContact O-N 3.42Å; N135-S159 WeakPolarHBondContact CA-OG 3.37Å; F136-S159 PolarHBondContact O-N 2.93Å; F136-S159 PolarHBondContact O-OG 3.49Å; S159-G163 PolarHBondContact O-N 3.44Å; S159-G163 VanDerWaalsContact O-N 3.12Å; S159-V164 WeakPolarHBondContact CA-O 3.34Å; S159-V164 WeakPolarHBondContact CB-O 3.32Å; S159-V164 PolarHBondContact O-N 2.9Å; S159-V164 VanDerWaalsContact O-N 3.16Å
160E97.8Very high98Very high28 Ų2838.1 Ų38.113%0.13125%0.249CC..THydrogen-bonded Turntrans-66.1-52.3171.6-173.4179.6-175.300111.4Y62 G70 F136 D137 N138 T158 A162 G163Y62-E160 HydrophobicContact CD2-CB 3.96Å; Y62-E160 HydrophobicContact CE2-CB 4.3Å; G70-E160 PolarHBondContact N-OE1 3.32Å; F136-E160 PolarHBondContact O-N 3.06Å; D137-E160 VanDerWaalsContact CA-OE2 3.22Å; D137-E160 WeakPolarHBondContact CA-OE2 3.24Å; D137-E160 WeakPolarHBondContact CB-OE2 3.14Å; N138-E160 PolarHBondContact N-OE2 3.11Å; N138-E160 PolarHBondContact ND2-OE1 3Å; N138-E160 PolarHBondContact ND2-OE2 3.46Å; T158-E160 PolarHBondContact O-N 3.19Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.28Å; E160-G163 PolarHBondContact O-N 3.49Å
161E95.7Very high98Very high111 Ų11136.5 Ų36.552%0.51924%0.24SC..THydrogen-bonded Turntrans-60.8-42.7176.8-176.2-166.9156.200111.2N138 T158 G163 K178N138-E161 PolarHBondContact OD1-N 2.92Å; T158-E161 PolarHBondContact O-N 3.42Å; T158-E161 VanDerWaalsContact OG1-CB 3.25Å; T158-E161 WeakPolarHBondContact OG1-CB 3.48Å; T158-E161 PolarHBondContact OG1-N 2.82Å; E161-G163 PolarHBondContact O-N 2.87Å; E161-K178 IonicContact OE1-NZ 2.62Å; E161-K178 PolarHBondContact OE1-NZ 3.48Å
162A96.6Very high98.1Very high13 Ų1331 Ų3111%0.10720%0.202CC..THydrogen-bonded Turntrans-70.9-14-179.300000113.6V157 T158 E160 V164 I171 Q174V157-A162 HydrophobicContact CG1-CB 4.02Å; T158-A162 VanDerWaalsContact O-CB 3.23Å; T158-A162 WeakPolarHBondContact O-CB 3.43Å; T158-A162 PolarHBondContact O-N 3.12Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.28Å; A162-V164 HydrophobicContact CB-CG1 4.25Å; A162-V164 PolarHBondContact O-N 3.37Å; A162-V164 VanDerWaalsContact O-N 3.14Å; A162-I171 HydrophobicContact CB-CD1 4.3Å; A162-I171 HydrophobicContact CB-CG1 3.89Å; A162-Q174 VanDerWaalsContact CB-OE1 3.31Å; A162-Q174 PolarHBondContact O-NE2 2.95Å; A162-Q174 VanDerWaalsContact O-NE2 3.1Å
163G96.8Very high98.1Very high49 Ų4933.5 Ų33.551%0.50521%0.209SC..THydrogen-bonded Turntrans66.54.4-172.400000114.3N61 S159 E160 E161N61-G163 VanDerWaalsContact ND2-C 3.35Å; N61-G163 PolarHBondContact ND2-O 3.45Å; S159-G163 PolarHBondContact O-N 3.44Å; S159-G163 VanDerWaalsContact O-N 3.12Å; E160-G163 PolarHBondContact O-N 3.49Å; E161-G163 PolarHBondContact O-N 2.87Å
164V97.3Very high98Very high36 Ų3635.5 Ų35.522%0.21822%0.218CC..  trans-149.7139.7-175.169.70000110.4N61 S159 A162 S168 A170 I171N61-V164 PolarHBondContact ND2-N 2.81Å; S159-V164 WeakPolarHBondContact CA-O 3.34Å; S159-V164 WeakPolarHBondContact CB-O 3.32Å; S159-V164 PolarHBondContact O-N 2.9Å; S159-V164 VanDerWaalsContact O-N 3.16Å; A162-V164 HydrophobicContact CB-CG1 4.25Å; A162-V164 PolarHBondContact O-N 3.37Å; A162-V164 VanDerWaalsContact O-N 3.14Å; V164-S168 WeakPolarHBondContact CG2-OG 3.35Å; V164-A170 HydrophobicContact CG1-CB 3.87Å; V164-A170 HydrophobicContact CG2-CB 4.41Å; V164-I171 HydrophobicContact CG1-CB 4.12Å
165A97.8Very high98Very high25 Ų2531.9 Ų31.921%0.20719%0.193CC..  trans-103153.4-179.200000112.3N61 N135 S168N61-A165 HydrophobicContact CB-CB 4.32Å; N135-A165 WeakPolarHBondContact OD1-CA 3.48Å; A165-S168 WeakPolarHBondContact O-CB 3.41Å; A165-S168 PolarHBondContact O-N 3.49Å
166K98.3Very high98Very high4 Ų431.5 Ų31.52%0.01719%0.192CC..THydrogen-bonded Turntrans-53.6136.1160.3-57.9176.4-59.7-178.40108.2D12 V133 N135 I171 F172 Y195 D196D12-K166 IonicContact OD1-NZ 3.21Å; D12-K166 PolarHBondContact OD1-NZ 3.01Å; D12-K166 IonicContact OD2-NZ 2.64Å; D12-K166 PolarHBondContact OD2-NZ 3.27Å; V133-K166 HydrophobicContact CG1-CD 4.22Å; V133-K166 PolarHBondContact O-NZ 3.17Å; V133-K166 VanDerWaalsContact O-NZ 3.08Å; N135-K166 PolarHBondContact ND2-O 2.93Å; N135-K166 WeakPolarHBondContact OD1-CB 3.31Å; N135-K166 PolarHBondContact OD1-N 2.62Å; K166-I171 HydrophobicContact CG-CD1 4.45Å; K166-I171 HydrophobicContact CG-CG2 3.65Å; K166-F172 HydrophobicContact CD-CE2 4.11Å; K166-F172 HydrophobicContact CD-CZ 3.8Å; K166-F172 HydrophobicContact CG-CE2 3.94Å; K166-F172 HydrophobicContact CG-CZ 4.15Å; K166-Y195 HydrophobicContact CB-CG 4.38Å; K166-Y195 WeakPolarHBondContact CB-O 3.28Å; K166-Y195 VanDerWaalsContact CD-O 3.32Å; K166-Y195 WeakPolarHBondContact CD-O 3.42Å; K166-D196 IonicContact NZ-OD1 3.31Å; K166-D196 PolarHBondContact NZ-OD1 3.43Å
167P98Very high98Very high62 Ų6238 Ų3840%0.40322%0.221SC..THydrogen-bonded Turncis-92.512.318.633.7-28.4000115V194 Y195 A199P167-V194 HydrophobicContact CB-CG1 4.03Å; P167-V194 HydrophobicContact CG-CG1 4.23Å; P167-Y195 HydrophobicContact CB-CD1 3.86Å; P167-Y195 HydrophobicContact CB-CE1 4.38Å; P167-Y195 VanDerWaalsContact CD-CE1 3.49Å; P167-Y195 HydrophobicContact CG-CD1 3.88Å; P167-Y195 HydrophobicContact CG-CE1 3.89Å; P167-A199 HydrophobicContact CB-CB 3.93Å
168S98.3Very high98Very high38 Ų3842.3 Ų42.327%0.26624%0.24SC..SBendtrans-59.8129.4178.2-1780000110.7V164 A165 A170 I171V164-S168 WeakPolarHBondContact CG2-OG 3.35Å; A165-S168 WeakPolarHBondContact O-CB 3.41Å; A165-S168 PolarHBondContact O-N 3.49Å; S168-A170 PolarHBondContact O-N 3.24Å; S168-A170 VanDerWaalsContact O-N 3.13Å; S168-A170 PolarHBondContact OG-N 2.91Å; S168-I171 WeakPolarHBondContact O-CG2 3.25Å; S168-I171 PolarHBondContact O-N 3.4Å
169P98Very high98Very high56 Ų5642.6 Ų42.636%0.36424%0.242SC..Hα-helixtrans-63.1-20.817825.3-34.2000112.6I171 F172 H173 V203P169-I171 VanDerWaalsContact C-N 3.28Å; P169-I171 PolarHBondContact O-N 3.45Å; P169-F172 PolarHBondContact O-N 3.41Å; P169-F172 VanDerWaalsContact O-N 3.09Å; P169-H173 PolarHBondContact O-CD2 2.76Å; P169-H173 VanDerWaalsContact O-CD2 3.3Å; P169-H173 PolarHBondContact O-N 3.47Å; P169-V203 HydrophobicContact CB-CG1 3.37Å
170A98.4Very high98Very high37 Ų3745.8 Ų45.831%0.30628%0.275SS..Hα-helixtrans-57.7-37-177.900000113.2V164 S168 H173 Q174V164-A170 HydrophobicContact CG1-CB 3.87Å; V164-A170 HydrophobicContact CG2-CB 4.41Å; S168-A170 PolarHBondContact O-N 3.24Å; S168-A170 VanDerWaalsContact O-N 3.13Å; S168-A170 PolarHBondContact OG-N 2.91Å; A170-H173 PolarHBondContact O-N 2.86Å; A170-Q174 WeakPolarHBondContact O-CG 3.5Å; A170-Q174 PolarHBondContact O-N 2.95Å; A170-Q174 VanDerWaalsContact O-N 3.07Å
171I98.6Very high98Very high0 Ų046 Ų460%028%0.278CS..Hα-helixtrans-67.2-37.9178.1-161.9178.2000111.5V133 V157 A162 V164 K166 S168 P169 Q174 A175V133-I171 HydrophobicContact CG1-CD1 3.83Å; V133-I171 HydrophobicContact CG1-CG1 3.92Å; V133-I171 HydrophobicContact CG1-CG2 4.14Å; V157-I171 HydrophobicContact CG1-CD1 4.27Å; V157-I171 HydrophobicContact CG1-CG1 3.84Å; A162-I171 HydrophobicContact CB-CD1 4.3Å; A162-I171 HydrophobicContact CB-CG1 3.89Å; V164-I171 HydrophobicContact CG1-CB 4.12Å; K166-I171 HydrophobicContact CG-CD1 4.45Å; K166-I171 HydrophobicContact CG-CG2 3.65Å; S168-I171 WeakPolarHBondContact O-CG2 3.25Å; S168-I171 PolarHBondContact O-N 3.4Å; P169-I171 VanDerWaalsContact C-N 3.28Å; P169-I171 PolarHBondContact O-N 3.45Å; I171-Q174 PolarHBondContact O-N 3.26Å; I171-A175 PolarHBondContact O-N 3.32Å
172F98.8Very high98Very high0 Ų043.4 Ų43.40%027%0.273CS..Hα-helixtrans-70.9-35.4176-71.6-71.9000111.9V133 K166 P169 Q174 A175 L176 H188 A199 V203 I205V133-F172 HydrophobicContact CB-CE1 4.41Å; V133-F172 HydrophobicContact CG1-CD1 4.31Å; V133-F172 HydrophobicContact CG1-CE1 4.07Å; V133-F172 HydrophobicContact CG1-CZ 4.49Å; K166-F172 HydrophobicContact CD-CE2 4.11Å; K166-F172 HydrophobicContact CD-CZ 3.8Å; K166-F172 HydrophobicContact CG-CE2 3.94Å; K166-F172 HydrophobicContact CG-CZ 4.15Å; P169-F172 PolarHBondContact O-N 3.41Å; P169-F172 VanDerWaalsContact O-N 3.09Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; F172-Q174 PolarHBondContact O-N 3.28Å; F172-A175 PolarHBondContact O-N 2.89Å; F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 VanDerWaalsContact O-CG 3.3Å; F172-L176 WeakPolarHBondContact O-CG 3.47Å; F172-L176 PolarHBondContact O-N 2.98Å; F172-H188 HydrophobicContact CE1-CB 4.29Å; F172-H188 AromaticContact CE1-CD2 3.88Å; F172-H188 AromaticContact CE1-CE1 3.93Å; F172-H188 AromaticContact CE1-CG 3.69Å; F172-H188 AromaticContact CE1-ND1 3.72Å; F172-H188 AromaticContact CZ-CD2 3.93Å; F172-H188 AromaticContact CZ-NE2 3.94Å; F172-A199 HydrophobicContact CD2-CB 4.26Å; F172-A199 HydrophobicContact CE2-CB 3.59Å; F172-V203 HydrophobicContact CB-CG2 3.72Å; F172-V203 HydrophobicContact CG-CG2 4.43Å; F172-I205 HydrophobicContact CB-CD1 4.11Å; F172-I205 HydrophobicContact CD1-CD1 3.91Å; F172-I205 HydrophobicContact CG-CD1 4.33Å
173H98.6Very high98.1Very high97 Ų9743.8 Ų43.845%0.44928%0.275SS..Hα-helixtrans-61.6-41.1171.6-70.9-51.4000112.4P169 A170 L176 Q177 V203P169-H173 PolarHBondContact O-CD2 2.76Å; P169-H173 VanDerWaalsContact O-CD2 3.3Å; P169-H173 PolarHBondContact O-N 3.47Å; A170-H173 PolarHBondContact O-N 2.86Å; H173-L176 PolarHBondContact O-N 3.42Å; H173-Q177 WeakPolarHBondContact O-CG 3.36Å; H173-Q177 PolarHBondContact O-N 3.39Å; H173-V203 VanDerWaalsContact CE1-CG1 3.5Å; H173-V203 WeakPolarHBondContact CE1-CG1 3.26Å; H173-V203 WeakPolarHBondContact NE2-CG1 3.4Å
174Q98.5Very high98Very high62 Ų6244.7 Ų44.729%0.2927%0.269SS..Hα-helixtrans-63-41.5173.5-67.9-179.632.700111.6A162 A170 I171 F172 Q177 K178A162-Q174 VanDerWaalsContact CB-OE1 3.31Å; A162-Q174 PolarHBondContact O-NE2 2.95Å; A162-Q174 VanDerWaalsContact O-NE2 3.1Å; A170-Q174 WeakPolarHBondContact O-CG 3.5Å; A170-Q174 PolarHBondContact O-N 2.95Å; A170-Q174 VanDerWaalsContact O-N 3.07Å; I171-Q174 PolarHBondContact O-N 3.26Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; F172-Q174 PolarHBondContact O-N 3.28Å; Q174-Q177 WeakPolarHBondContact O-CB 3.49Å; Q174-Q177 PolarHBondContact O-N 3.11Å; Q174-K178 PolarHBondContact O-N 3.49Å
175A98.6Very high98Very high0 Ų045.1 Ų45.10%027%0.266CS..Hα-helixtrans-63.1-42.2174.900000112.3L10 V133 F155 I171 F172 Q177 K178 C179L10-A175 HydrophobicContact CD1-CB 3.92Å; V133-A175 HydrophobicContact CG2-CB 3.5Å; V133-A175 VanDerWaalsContact CG2-CB 3.5Å; F155-A175 HydrophobicContact CE2-CB 4.34Å; F155-A175 HydrophobicContact CZ-CB 4.43Å; I171-A175 PolarHBondContact O-N 3.32Å; F172-A175 PolarHBondContact O-N 2.89Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 3.46Å; A175-K178 CarbonylContact O-C 3.43Å; A175-K178 WeakPolarHBondContact O-CA 3.03Å; A175-K178 WeakPolarHBondContact O-CB 3.33Å; A175-K178 PolarHBondContact O-N 2.96Å; A175-C179 PolarHBondContact O-N 3.13Å; A175-C179 PolarHBondContact O-SG 3.5Å; A175-C179 VanDerWaalsContact O-SG 3.33Å
176L98.7Very high98.1Very high20 Ų2044 Ų4411%0.10526%0.257CS..Hα-helixtrans-61.4-36.4176.3-74.2169.6000112.5F172 H173 K178 C179 G180 A183 V186 V203 I205F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 VanDerWaalsContact O-CG 3.3Å; F172-L176 WeakPolarHBondContact O-CG 3.47Å; F172-L176 PolarHBondContact O-N 2.98Å; H173-L176 PolarHBondContact O-N 3.42Å; L176-K178 VanDerWaalsContact C-N 3.34Å; L176-C179 WeakPolarHBondContact O-CB 3.2Å; L176-C179 PolarHBondContact O-N 2.96Å; L176-G180 PolarHBondContact O-N 3.23Å; L176-A183 HydrophobicContact CD1-CB 3.93Å; L176-A183 HydrophobicContact CD2-CB 4.17Å; L176-V186 HydrophobicContact CD2-CB 4.17Å; L176-V186 HydrophobicContact CD2-CG2 3.71Å; L176-V203 HydrophobicContact CD1-CG2 4.25Å; L176-I205 HydrophobicContact CD1-CD1 4.15Å; L176-I205 HydrophobicContact CD1-CG1 4.36Å; L176-I205 HydrophobicContact CD2-CD1 4.04Å; L176-I205 HydrophobicContact CD2-CG1 4.11Å; L176-I205 HydrophobicContact CG-CD1 4.06Å
177Q98.4Very high98.1Very high153 Ų15343.8 Ų43.872%0.71526%0.256SS*.Hα-helixtrans-60.8-43.6172.2-70.3171.6-100111.3H173 Q174 A175 C179 G180H173-Q177 WeakPolarHBondContact O-CG 3.36Å; H173-Q177 PolarHBondContact O-N 3.39Å; Q174-Q177 WeakPolarHBondContact O-CB 3.49Å; Q174-Q177 PolarHBondContact O-N 3.11Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 3.46Å; Q177-C179 VanDerWaalsContact C-N 3.34Å; Q177-G180 PolarHBondContact O-N 3.04Å
178K98.5Very high98.1Very high93 Ų9340.8 Ų40.840%0.40424%0.237SC..Hα-helixtrans-66.8-33.9174.9-62.8-171.6-172.2-146.60112.3F155 V157 E161 Q174 A175 L176 G180F155-K178 HydrophobicContact CB-CD 4.19Å; F155-K178 HydrophobicContact CD1-CB 3.79Å; F155-K178 HydrophobicContact CD2-CB 4.33Å; F155-K178 HydrophobicContact CD2-CD 3.86Å; F155-K178 HydrophobicContact CE1-CB 3.72Å; F155-K178 HydrophobicContact CE2-CB 4.28Å; F155-K178 HydrophobicContact CE2-CD 4.34Å; F155-K178 HydrophobicContact CG-CB 4.1Å; F155-K178 HydrophobicContact CG-CD 3.95Å; F155-K178 HydrophobicContact CZ-CB 3.97Å; V157-K178 HydrophobicContact CG2-CD 3.77Å; E161-K178 IonicContact OE1-NZ 2.62Å; E161-K178 PolarHBondContact OE1-NZ 3.48Å; Q174-K178 PolarHBondContact O-N 3.49Å; A175-K178 CarbonylContact O-C 3.43Å; A175-K178 WeakPolarHBondContact O-CA 3.03Å; A175-K178 WeakPolarHBondContact O-CB 3.33Å; A175-K178 PolarHBondContact O-N 2.96Å; L176-K178 VanDerWaalsContact C-N 3.34Å; K178-G180 VanDerWaalsContact C-N 3.3Å; K178-G180 PolarHBondContact O-N 3.26Å
179C98.6Very high98.1Very high9 Ų939 Ų396%0.06122%0.224CC..Hα-helixtrans-67.4-28.2174.4-68.50000113.4W8 A175 L176 Q177 T181 V186W8-C179 HydrophobicContact CD2-CB 4.02Å; W8-C179 HydrophobicContact CG-CB 4Å; W8-C179 HydrophobicContact CZ2-CB 4.41Å; W8-C179 PolarHBondContact NE1-O 3Å; A175-C179 PolarHBondContact O-N 3.13Å; A175-C179 PolarHBondContact O-SG 3.5Å; A175-C179 VanDerWaalsContact O-SG 3.33Å; L176-C179 WeakPolarHBondContact O-CB 3.2Å; L176-C179 PolarHBondContact O-N 2.96Å; Q177-C179 VanDerWaalsContact C-N 3.34Å; C179-T181 VanDerWaalsContact C-N 3.26Å; C179-T181 HydrophobicContact CB-CG2 4.32Å; C179-T181 PolarHBondContact O-N 2.95Å; C179-V186 HydrophobicContact CB-CG2 4.49Å
180G98.1Very high98.2Very high69 Ų6936.3 Ų36.371%0.71121%0.207SC*.THydrogen-bonded Turntrans62.931-178.100000113.2L176 Q177 K178L176-G180 PolarHBondContact O-N 3.23Å; Q177-G180 PolarHBondContact O-N 3.04Å; K178-G180 VanDerWaalsContact C-N 3.3Å; K178-G180 PolarHBondContact O-N 3.26Å
181T96.8Very high98.1Very high31 Ų3136.7 Ų36.719%0.1920%0.203CC..SBendtrans-148.8166.8-178.1-148.40000112.4C179 R185 V186C179-T181 VanDerWaalsContact C-N 3.26Å; C179-T181 HydrophobicContact CB-CG2 4.32Å; C179-T181 PolarHBondContact O-N 2.95Å; T181-R185 HydrophobicContact CG2-CB 3.96Å; T181-R185 WeakPolarHBondContact OG1-CD 3.4Å; T181-R185 PolarHBondContact OG1-NH1 2.77Å; T181-V186 HydrophobicContact CG2-CG2 3.67Å
182S96.7Very high98Very high58 Ų5840.3 Ų40.341%0.40622%0.22SC..  trans-73.615218054.60000111.9D184 R185S182-D184 VanDerWaalsContact C-N 3.26Å; S182-D184 WeakPolarHBondContact CB-OD1 3.33Å; S182-D184 PolarHBondContact O-N 3.42Å; S182-D184 PolarHBondContact OG-OD1 3.29Å; S182-R185 WeakPolarHBondContact O-CB 3.14Å; S182-R185 PolarHBondContact O-N 3.31Å
183A97.6Very high97.9Very high20 Ų2043.6 Ų43.617%0.16523%0.233CC..G310 helixtrans-59.9-33.7-172.600000113.8L176 R185 V186 V203 G204 I205L176-A183 HydrophobicContact CD1-CB 3.93Å; L176-A183 HydrophobicContact CD2-CB 4.17Å; A183-R185 PolarHBondContact O-N 2.93Å; A183-V186 PolarHBondContact O-N 3.03Å; A183-V203 WeakPolarHBondContact CB-O 3.31Å; A183-G204 CarbonylContact C-O 3.32Å; A183-G204 VanDerWaalsContact C-O 3.32Å; A183-I205 HydrophobicContact CB-CG1 4.04Å
184D96.2Very high97.7Very high68 Ų6841.8 Ų41.836%0.36423%0.229SC..G310 helixtrans-64.5-7.3176.466.1-45.9000114S182 H206S182-D184 VanDerWaalsContact C-N 3.26Å; S182-D184 WeakPolarHBondContact CB-OD1 3.33Å; S182-D184 PolarHBondContact O-N 3.42Å; S182-D184 PolarHBondContact OG-OD1 3.29Å; D184-H206 PolarHBondContact O-CD2 3.42Å; D184-H206 PolarHBondContact O-NE2 2.86Å
185R97.3Very high97.7Very high46 Ų4643.3 Ų43.317%0.17423%0.232CC..G310 helixtrans-108.69.5176.2-52.7-17874.2-167.629.8113.2V4 P5 R7 W8 T181 S182 A183V4-R185 HydrophobicContact CB-CG 4.08Å; V4-R185 VanDerWaalsContact CG1-CD 3.42Å; V4-R185 HydrophobicContact CG1-CG 3.66Å; V4-R185 VanDerWaalsContact CG1-NE 3.32Å; P5-R185 PolarHBondContact O-NE 3.16Å; P5-R185 VanDerWaalsContact O-NE 3.12Å; R7-R185 PolarHBondContact N-O 3.45Å; W8-R185 PolarHBondContact N-O 3.18Å; T181-R185 HydrophobicContact CG2-CB 3.96Å; T181-R185 WeakPolarHBondContact OG1-CD 3.4Å; T181-R185 PolarHBondContact OG1-NH1 2.77Å; S182-R185 WeakPolarHBondContact O-CB 3.14Å; S182-R185 PolarHBondContact O-N 3.31Å; A183-R185 PolarHBondContact O-N 2.93Å
186V98.5Very high97.7Very high0 Ų043.3 Ų43.30%023%0.232CC..EExtended strand (participates in β ladder)trans-124.1135.9-177-175.80000108.6W8 L10 L176 C179 T181 A183 I205 H206W8-V186 HydrophobicContact CB-CB 4.39Å; W8-V186 HydrophobicContact CB-CG1 4Å; W8-V186 HydrophobicContact CB-CG2 4.06Å; L10-V186 HydrophobicContact CD1-CG1 3.7Å; L10-V186 HydrophobicContact CG-CG1 3.68Å; L176-V186 HydrophobicContact CD2-CB 4.17Å; L176-V186 HydrophobicContact CD2-CG2 3.71Å; C179-V186 HydrophobicContact CB-CG2 4.49Å; T181-V186 HydrophobicContact CG2-CG2 3.67Å; A183-V186 PolarHBondContact O-N 3.03Å; V186-I205 HydrophobicContact CB-CG1 4.3Å; V186-I205 HydrophobicContact CB-CG2 4.43Å; V186-I205 HydrophobicContact CG1-CD1 4.42Å; V186-I205 HydrophobicContact CG1-CG1 4.41Å; V186-I205 HydrophobicContact CG1-CG2 4.21Å; V186-I205 WeakPolarHBondContact O-CG2 3.29Å; V186-H206 PolarHBondContact O-CD2 3.3Å; V186-H206 PolarHBondContact O-N 2.97Å
187A98.6Very high97.6Very high0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-106.1154165.800000110.4W8 V9 L10 H206 F208 L237W8-A187 PolarHBondContact O-N 3.02Å; V9-A187 CarbonylContact C-O 3.56Å; V9-A187 WeakPolarHBondContact CA-O 3.32Å; L10-A187 PolarHBondContact N-O 3.18Å; A187-H206 CarbonylContact C-O 3.56Å; A187-H206 WeakPolarHBondContact CA-O 3.41Å; A187-H206 HydrophobicContact CB-CB 4.2Å; A187-F208 HydrophobicContact CB-CD2 4.16Å; A187-F208 HydrophobicContact CB-CE2 3.97Å; A187-L237 HydrophobicContact CB-CD2 3.5Å
188H98.9Very high97.6Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-128.8136.1168.9-18071.1000109.7L10 F172 D196 I205 H206 F208L10-H188 HydrophobicContact CB-CB 4.2Å; L10-H188 WeakPolarHBondContact CB-ND1 3.46Å; L10-H188 CarbonylContact O-C 3.53Å; L10-H188 VanDerWaalsContact O-CA 3.31Å; L10-H188 WeakPolarHBondContact O-CA 3.35Å; L10-H188 PolarHBondContact O-ND1 3.36Å; F172-H188 HydrophobicContact CE1-CB 4.29Å; F172-H188 AromaticContact CE1-CD2 3.88Å; F172-H188 AromaticContact CE1-CE1 3.93Å; F172-H188 AromaticContact CE1-CG 3.69Å; F172-H188 AromaticContact CE1-ND1 3.72Å; F172-H188 AromaticContact CZ-CD2 3.93Å; F172-H188 AromaticContact CZ-NE2 3.94Å; H188-D196 PolarHBondContact CD2-O 2.87Å; H188-D196 IonicContact CD2-OD1 3.67Å; H188-D196 IonicContact CE1-OD1 2.81Å; H188-D196 IonicContact NE2-OD1 3.24Å; H188-D196 PolarHBondContact NE2-OD1 3.39Å; H188-I205 HydrophobicContact CB-CG2 3.8Å; H188-H206 PolarHBondContact N-O 3.43Å; H188-F208 PolarHBondContact O-N 3.33Å
189V98.8Very high97.6Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-124.8133.2174.961.80000110.5V9 L10 W11 D12 F208 L210 L230 L233V9-V189 HydrophobicContact CG1-CG1 4.25Å; L10-V189 PolarHBondContact O-N 2.89Å; W11-V189 HydrophobicContact CD2-CG1 3.55Å; W11-V189 HydrophobicContact CE3-CG1 3.28Å; W11-V189 HydrophobicContact CG-CG1 4.17Å; W11-V189 HydrophobicContact CH2-CG1 4.15Å; W11-V189 HydrophobicContact CZ2-CG1 4.35Å; W11-V189 HydrophobicContact CZ3-CG1 3.62Å; D12-V189 PolarHBondContact N-O 3.22Å; V189-F208 WeakPolarHBondContact CA-O 3.47Å; V189-F208 HydrophobicContact CB-CB 4.24Å; V189-F208 HydrophobicContact CG2-CB 4.24Å; V189-L210 HydrophobicContact CG2-CB 4.3Å; V189-L230 HydrophobicContact CG2-CD2 4.21Å; V189-L233 HydrophobicContact CB-CD1 4.48Å; V189-L233 HydrophobicContact CB-CD2 4.11Å; V189-L233 HydrophobicContact CG1-CD2 3.79Å; V189-L233 HydrophobicContact CG2-CD1 4.45Å; V189-L233 HydrophobicContact CG2-CD2 4.19Å
190G98.4Very high97.6Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-162.8172.3172.900000111.2T16 F208 L210T16-G190 WeakPolarHBondContact OG1-CA 3.38Å; G190-F208 PolarHBondContact N-O 3.26Å; G190-L210 PolarHBondContact O-N 3.09Å
191D97.3Very high97.6Very high44 Ų4435.7 Ų35.724%0.23518%0.176CC..SBendtrans-89.6-12.1-173.965.7-64.9000113.8K14 D15 T16 L209 L210K14-D191 VanDerWaalsContact O-OD1 3.11Å; D15-D191 WeakPolarHBondContact CB-OD2 3.38Å; T16-D191 PolarHBondContact OG1-N 2.84Å; T16-D191 PolarHBondContact OG1-OD1 3.37Å; T16-D191 VanDerWaalsContact OG1-OD1 3.06Å; D191-L209 WeakPolarHBondContact O-CD1 3.28Å; D191-L210 WeakPolarHBondContact CA-O 3.28Å
192H96.3Very high97.6Very high76 Ų7637.9 Ų37.935%0.35219%0.193SC..  trans-104119.7-173.4-161.9-61.8000112.9V194 Y195 D196 Y197H192-V194 PolarHBondContact ND1-N 3.14Å; H192-V194 PolarHBondContact O-N 3.47Å; H192-Y195 AromaticContact CD2-CD2 3.89Å; H192-Y195 AromaticContact CG-CD2 3.89Å; H192-Y195 AromaticContact ND1-CG 3.88Å; H192-Y195 PolarHBondContact ND1-N 3.2Å; H192-Y195 PolarHBondContact O-N 3.38Å; H192-D196 VanDerWaalsContact CB-OD2 3.26Å; H192-D196 WeakPolarHBondContact CB-OD2 2.97Å; H192-D196 PolarHBondContact N-OD2 3.43Å; H192-D196 WeakPolarHBondContact O-CA 3.46Å; H192-D196 WeakPolarHBondContact O-CB 3.43Å; H192-D196 PolarHBondContact O-N 3.16Å; H192-Y197 PolarHBondContact O-N 2.99Å
193Y95.6Very high97.7Very high69 Ų6936.2 Ų36.227%0.27118%0.18SC..Iπ-helixtrans-52.2-49.7-178.9176.1-112.8000114.1Y197 L198 L209 A220 V221Y193-Y197 AromaticContact CD2-CD1 3.77Å; Y193-Y197 HydrophobicContact CD2-CD1 3.77Å; Y193-Y197 HydrophobicContact CD2-CG 4.41Å; Y193-Y197 AromaticContact CE2-CD1 3.61Å; Y193-Y197 HydrophobicContact CE2-CD1 3.61Å; Y193-Y197 HydrophobicContact CE2-CE1 4.04Å; Y193-Y197 WeakPolarHBondContact O-CB 3.44Å; Y193-Y197 PolarHBondContact O-N 3.17Å; Y193-L198 HydrophobicContact CD1-CD1 4.09Å; Y193-L198 HydrophobicContact CD1-CG 4.42Å; Y193-L198 HydrophobicContact CE1-CD1 3.51Å; Y193-L198 HydrophobicContact CE1-CG 4Å; Y193-L198 HydrophobicContact CE2-CD1 4.49Å; Y193-L198 HydrophobicContact CE2-CD2 4.14Å; Y193-L198 HydrophobicContact CE2-CG 4.11Å; Y193-L198 PolarHBondContact O-N 3.27Å; Y193-L209 HydrophobicContact CD2-CD2 4.33Å; Y193-A220 PolarHBondContact OH-O 3.11Å; Y193-V221 HydrophobicContact CD2-CG2 3.62Å; Y193-V221 HydrophobicContact CE2-CG2 3.53Å
194V96.2Very high97.7Very high59 Ų5937.3 Ų37.336%0.35819%0.193SC..Iπ-helixtrans-75.9-47.8-179.1-178.10000112.5P167 H192 A199P167-V194 HydrophobicContact CB-CG1 4.03Å; P167-V194 HydrophobicContact CG-CG1 4.23Å; H192-V194 PolarHBondContact ND1-N 3.14Å; H192-V194 PolarHBondContact O-N 3.47Å; V194-A199 WeakPolarHBondContact O-CB 3.48Å; V194-A199 PolarHBondContact O-N 3.36Å
195Y97.8Very high97.8Very high94 Ų9434.2 Ų34.237%0.36918%0.177SC..Iπ-helixtrans-79.2-28.3-170.7-61.4-17.6000113.5K166 P167 H192 A199K166-Y195 HydrophobicContact CB-CG 4.38Å; K166-Y195 WeakPolarHBondContact CB-O 3.28Å; K166-Y195 VanDerWaalsContact CD-O 3.32Å; K166-Y195 WeakPolarHBondContact CD-O 3.42Å; P167-Y195 HydrophobicContact CB-CD1 3.86Å; P167-Y195 HydrophobicContact CB-CE1 4.38Å; P167-Y195 VanDerWaalsContact CD-CE1 3.49Å; P167-Y195 HydrophobicContact CG-CD1 3.88Å; P167-Y195 HydrophobicContact CG-CE1 3.89Å; H192-Y195 AromaticContact CD2-CD2 3.89Å; H192-Y195 AromaticContact CG-CD2 3.89Å; H192-Y195 AromaticContact ND1-CG 3.88Å; H192-Y195 PolarHBondContact ND1-N 3.2Å; H192-Y195 PolarHBondContact O-N 3.38Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å
196D98.3Very high97.8Very high0 Ų034.6 Ų34.60%018%0.18CC..Iπ-helixtrans-107.8-57.5-178.3-59.5-60.6000111.4K166 H188 H192 S200K166-D196 IonicContact NZ-OD1 3.31Å; K166-D196 PolarHBondContact NZ-OD1 3.43Å; H188-D196 PolarHBondContact CD2-O 2.87Å; H188-D196 IonicContact CD2-OD1 3.67Å; H188-D196 IonicContact CE1-OD1 2.81Å; H188-D196 IonicContact NE2-OD1 3.24Å; H188-D196 PolarHBondContact NE2-OD1 3.39Å; H192-D196 VanDerWaalsContact CB-OD2 3.26Å; H192-D196 WeakPolarHBondContact CB-OD2 2.97Å; H192-D196 PolarHBondContact N-OD2 3.43Å; H192-D196 WeakPolarHBondContact O-CA 3.46Å; H192-D196 WeakPolarHBondContact O-CB 3.43Å; H192-D196 PolarHBondContact O-N 3.16Å; D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 2.85Å; D196-S200 PolarHBondContact O-OG 3.44Å
197Y97.8Very high97.8Very high12 Ų1234.6 Ų34.65%0.04718%0.18CC..Iπ-helixtrans-71.1-58.6-172.4178.6-100.3000112.4H192 Y193 S200 R201 G207 L209 V221 P222 H225H192-Y197 PolarHBondContact O-N 2.99Å; Y193-Y197 AromaticContact CD2-CD1 3.77Å; Y193-Y197 HydrophobicContact CD2-CD1 3.77Å; Y193-Y197 HydrophobicContact CD2-CG 4.41Å; Y193-Y197 AromaticContact CE2-CD1 3.61Å; Y193-Y197 HydrophobicContact CE2-CD1 3.61Å; Y193-Y197 HydrophobicContact CE2-CE1 4.04Å; Y193-Y197 WeakPolarHBondContact O-CB 3.44Å; Y193-Y197 PolarHBondContact O-N 3.17Å; Y197-S200 PolarHBondContact O-OG 3.21Å; Y197-R201 VanDerWaalsContact CZ-CD 3.41Å; Y197-R201 VanDerWaalsContact O-CG 3.25Å; Y197-R201 WeakPolarHBondContact O-CG 3.46Å; Y197-R201 PolarHBondContact O-N 2.93Å; Y197-G207 WeakPolarHBondContact CD2-O 3.23Å; Y197-G207 VanDerWaalsContact CE2-O 3.23Å; Y197-G207 WeakPolarHBondContact CE2-O 3.26Å; Y197-L209 HydrophobicContact CD2-CB 4.28Å; Y197-L209 HydrophobicContact CG-CB 4.38Å; Y197-V221 HydrophobicContact CD1-CG2 4Å; Y197-V221 HydrophobicContact CD2-CG1 4.32Å; Y197-V221 HydrophobicContact CE1-CG1 4.21Å; Y197-V221 HydrophobicContact CE1-CG2 3.92Å; Y197-V221 HydrophobicContact CE2-CG1 3.82Å; Y197-V221 HydrophobicContact CG-CG2 4.44Å; Y197-P222 WeakPolarHBondContact OH-CD 3.45Å; Y197-H225 HydrophobicContact CE2-CB 3.65Å; Y197-H225 PolarHBondContact OH-ND1 3.13Å
198L97.3Very high97.8Very high71 Ų7134.8 Ų34.837%0.37218%0.181SC..Iπ-helixtrans-68.1-43.9-178.2-68.4-176.1000112.4Y193 R201 S202Y193-L198 HydrophobicContact CD1-CD1 4.09Å; Y193-L198 HydrophobicContact CD1-CG 4.42Å; Y193-L198 HydrophobicContact CE1-CD1 3.51Å; Y193-L198 HydrophobicContact CE1-CG 4Å; Y193-L198 HydrophobicContact CE2-CD1 4.49Å; Y193-L198 HydrophobicContact CE2-CD2 4.14Å; Y193-L198 HydrophobicContact CE2-CG 4.11Å; Y193-L198 PolarHBondContact O-N 3.27Å; L198-R201 PolarHBondContact O-N 3.49Å; L198-S202 PolarHBondContact O-N 3.38Å
199A98.1Very high97.7Very high4 Ų434.8 Ų34.83%0.03318%0.181CC..Hα-helixtrans-65-43.1-175.800000112.5P167 F172 V194 Y195 S202P167-A199 HydrophobicContact CB-CB 3.93Å; F172-A199 HydrophobicContact CD2-CB 4.26Å; F172-A199 HydrophobicContact CE2-CB 3.59Å; V194-A199 WeakPolarHBondContact O-CB 3.48Å; V194-A199 PolarHBondContact O-N 3.36Å; Y195-A199 WeakPolarHBondContact O-CB 3.28Å; A199-S202 WeakPolarHBondContact O-CB 3.43Å; A199-S202 PolarHBondContact O-N 3.01Å; A199-S202 PolarHBondContact O-OG 2.97Å
200S98.4Very high97.7Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-63.7-44.8175.9630000111.7D196 Y197 S202 V203 I205 G207D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 2.85Å; D196-S200 PolarHBondContact O-OG 3.44Å; Y197-S200 PolarHBondContact O-OG 3.21Å; S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.39Å; S200-V203 WeakPolarHBondContact O-CG2 3.39Å; S200-V203 PolarHBondContact O-N 3.47Å; S200-I205 WeakPolarHBondContact O-CB 3.28Å; S200-I205 PolarHBondContact O-N 2.81Å; S200-G207 WeakPolarHBondContact OG-CA 3.3Å
201R98Very high97.5Very high97 Ų9735.1 Ų35.137%0.36618%0.183SC..Hα-helixtrans-64.1-29.6178.9-68.9-176.474.593.34.3113.4Y197 L198 V203 G204 I205 H225Y197-R201 VanDerWaalsContact CZ-CD 3.41Å; Y197-R201 VanDerWaalsContact O-CG 3.25Å; Y197-R201 WeakPolarHBondContact O-CG 3.46Å; Y197-R201 PolarHBondContact O-N 2.93Å; L198-R201 PolarHBondContact O-N 3.49Å; R201-V203 PolarHBondContact O-N 3.23Å; R201-V203 VanDerWaalsContact O-N 3.11Å; R201-G204 PolarHBondContact O-N 3.37Å; R201-I205 WeakPolarHBondContact CA-O 3.39Å; R201-H225 PolarHBondContact NH1-CD2 2.89Å; R201-H225 PolarHBondContact NH1-CE1 3.25Å; R201-H225 PolarHBondContact NH1-NE2 2.74Å
202S98.2Very high97.2Very high78 Ų7836 Ų3655%0.54518%0.183SC..THydrogen-bonded Turntrans-60-21.5177.778.80000113.6L198 A199 S200L198-S202 PolarHBondContact O-N 3.38Å; A199-S202 WeakPolarHBondContact O-CB 3.43Å; A199-S202 PolarHBondContact O-N 3.01Å; A199-S202 PolarHBondContact O-OG 2.97Å; S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.39Å
203V98.2Very high96.8Very high22 Ų2239.2 Ų39.213%0.13320%0.203CC..THydrogen-bonded Turntrans-107.310.3176.4-57.20000113.4P169 F172 H173 L176 A183 S200 R201 I205P169-V203 HydrophobicContact CB-CG1 3.37Å; F172-V203 HydrophobicContact CB-CG2 3.72Å; F172-V203 HydrophobicContact CG-CG2 4.43Å; H173-V203 VanDerWaalsContact CE1-CG1 3.5Å; H173-V203 WeakPolarHBondContact CE1-CG1 3.26Å; H173-V203 WeakPolarHBondContact NE2-CG1 3.4Å; L176-V203 HydrophobicContact CD1-CG2 4.25Å; A183-V203 WeakPolarHBondContact CB-O 3.31Å; S200-V203 WeakPolarHBondContact O-CG2 3.39Å; S200-V203 PolarHBondContact O-N 3.47Å; R201-V203 PolarHBondContact O-N 3.23Å; R201-V203 VanDerWaalsContact O-N 3.11Å; V203-I205 HydrophobicContact CG2-CD1 3.75Å; V203-I205 HydrophobicContact CG2-CG1 3.92Å
204G97.8Very high96.3Very high43 Ų4340.9 Ų40.944%0.44322%0.217SC..THydrogen-bonded Turntrans86.69.817800000115.7A183 R201A183-G204 CarbonylContact C-O 3.32Å; A183-G204 VanDerWaalsContact C-O 3.32Å; R201-G204 PolarHBondContact O-N 3.37Å
205I98.4Very high95.4Very high4 Ų441.9 Ų41.92%0.02123%0.226CC..  trans-77.1144.9173.9-66.9171.3000109.7L10 F172 L176 A183 V186 H188 S200 R201 V203 G207L10-I205 HydrophobicContact CD1-CD1 4.25Å; F172-I205 HydrophobicContact CB-CD1 4.11Å; F172-I205 HydrophobicContact CD1-CD1 3.91Å; F172-I205 HydrophobicContact CG-CD1 4.33Å; L176-I205 HydrophobicContact CD1-CD1 4.15Å; L176-I205 HydrophobicContact CD1-CG1 4.36Å; L176-I205 HydrophobicContact CD2-CD1 4.04Å; L176-I205 HydrophobicContact CD2-CG1 4.11Å; L176-I205 HydrophobicContact CG-CD1 4.06Å; A183-I205 HydrophobicContact CB-CG1 4.04Å; V186-I205 HydrophobicContact CB-CG1 4.3Å; V186-I205 HydrophobicContact CB-CG2 4.43Å; V186-I205 HydrophobicContact CG1-CD1 4.42Å; V186-I205 HydrophobicContact CG1-CG1 4.41Å; V186-I205 HydrophobicContact CG1-CG2 4.21Å; V186-I205 WeakPolarHBondContact O-CG2 3.29Å; H188-I205 HydrophobicContact CB-CG2 3.8Å; S200-I205 WeakPolarHBondContact O-CB 3.28Å; S200-I205 PolarHBondContact O-N 2.81Å; R201-I205 WeakPolarHBondContact CA-O 3.39Å; V203-I205 HydrophobicContact CG2-CD1 3.75Å; V203-I205 HydrophobicContact CG2-CG1 3.92Å; I205-G207 PolarHBondContact O-N 3.28Å
206H97.9Very high94.2Very high53 Ų5340.3 Ų40.325%0.24522%0.222CC..EExtended strand (participates in β ladder)trans-7198.2171.5-60.5-82000110.2D184 V186 A187 H188 F208 L240D184-H206 PolarHBondContact O-CD2 3.42Å; D184-H206 PolarHBondContact O-NE2 2.86Å; V186-H206 PolarHBondContact O-CD2 3.3Å; V186-H206 PolarHBondContact O-N 2.97Å; A187-H206 CarbonylContact C-O 3.56Å; A187-H206 WeakPolarHBondContact CA-O 3.41Å; A187-H206 HydrophobicContact CB-CB 4.2Å; H188-H206 PolarHBondContact N-O 3.43Å; H206-F208 HydrophobicContact CB-CE2 4.35Å; H206-L240 HydrophobicContact CB-CD1 4.13Å
207G97.6Very high92.6Very high0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-82.2133.7179.200000112.9Y197 S200 I205Y197-G207 WeakPolarHBondContact CD2-O 3.23Å; Y197-G207 VanDerWaalsContact CE2-O 3.23Å; Y197-G207 WeakPolarHBondContact CE2-O 3.26Å; S200-G207 WeakPolarHBondContact OG-CA 3.3Å; I205-G207 PolarHBondContact O-N 3.28Å
208F98.1Very high90.8Very high4 Ų457.9 Ų57.92%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-118.3130.8170-69.3-88.5000110.2A187 H188 V189 G190 H206 E224 H225 L233 R236 L237 L240A187-F208 HydrophobicContact CB-CD2 4.16Å; A187-F208 HydrophobicContact CB-CE2 3.97Å; H188-F208 PolarHBondContact O-N 3.33Å; V189-F208 WeakPolarHBondContact CA-O 3.47Å; V189-F208 HydrophobicContact CB-CB 4.24Å; V189-F208 HydrophobicContact CG2-CB 4.24Å; G190-F208 PolarHBondContact N-O 3.26Å; H206-F208 HydrophobicContact CB-CE2 4.35Å; F208-E224 WeakPolarHBondContact CE1-O 3.43Å; F208-H225 CarbonylContact C-O 3.59Å; F208-H225 VanDerWaalsContact CA-O 3.24Å; F208-H225 WeakPolarHBondContact CA-O 3.5Å; F208-L233 HydrophobicContact CB-CD1 4.13Å; F208-L233 HydrophobicContact CD1-CD1 4.12Å; F208-L233 HydrophobicContact CD2-CD1 4.13Å; F208-L233 HydrophobicContact CG-CD1 3.85Å; F208-R236 HydrophobicContact CD1-CB 4.43Å; F208-R236 HydrophobicContact CE1-CB 3.66Å; F208-R236 HydrophobicContact CE1-CG 4.33Å; F208-R236 HydrophobicContact CZ-CB 4.15Å; F208-L237 HydrophobicContact CD2-CD2 4.28Å; F208-L237 HydrophobicContact CE2-CD2 3.63Å; F208-L237 HydrophobicContact CZ-CD2 4.13Å; F208-L240 HydrophobicContact CE2-CD1 3.92Å; F208-L240 HydrophobicContact CZ-CD1 3.62Å
209L97.8Very high89.2Confident0 Ų058.3 Ų58.30%032%0.324CS..EExtended strand (participates in β ladder)trans-96.6121.2173.6-178.564.4000109.6D191 Y193 Y197 V221 H225 R226 V227D191-L209 WeakPolarHBondContact O-CD1 3.28Å; Y193-L209 HydrophobicContact CD2-CD2 4.33Å; Y197-L209 HydrophobicContact CD2-CB 4.28Å; Y197-L209 HydrophobicContact CG-CB 4.38Å; L209-V221 HydrophobicContact CB-CG1 4.46Å; L209-V221 HydrophobicContact CD2-CG2 3.8Å; L209-H225 PolarHBondContact N-O 3.23Å; L209-R226 WeakPolarHBondContact O-CA 3.3Å; L209-V227 PolarHBondContact O-N 3.1Å
210L97.6Very high88.2Confident2 Ų260.3 Ų60.31%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-86.5105.3169.3178.465.2000109.8T16 V189 G190 D191 R212 V227 L230T16-L210 HydrophobicContact CG2-CD2 4.05Å; V189-L210 HydrophobicContact CG2-CB 4.3Å; G190-L210 PolarHBondContact O-N 3.09Å; D191-L210 WeakPolarHBondContact CA-O 3.28Å; L210-R212 HydrophobicContact CD1-CG 4.07Å; L210-R212 HydrophobicContact CD2-CG 4Å; L210-R212 HydrophobicContact CG-CG 3.77Å; L210-V227 CarbonylContact C-O 3.4Å; L210-V227 WeakPolarHBondContact CA-O 3.17Å; L210-V227 HydrophobicContact CB-CG2 4.28Å; L210-V227 HydrophobicContact CD1-CG2 3.92Å; L210-L230 HydrophobicContact CD1-CD2 4.02Å; L210-L230 HydrophobicContact CD1-CG 4.2Å; L210-L230 HydrophobicContact CD2-CD1 4.49Å; L210-L230 HydrophobicContact CD2-CD2 3.76Å; L210-L230 HydrophobicContact CD2-CG 3.96Å; L210-L230 HydrophobicContact CG-CD2 4.39Å
211D94.6Very high87.7Confident5 Ų561 Ų613%0.02734%0.344CS..  trans-107.873.9-179.5-1734.7000110.6D213 N214 S215 H216 R226 V227D211-D213 PolarHBondContact O-N 3.29Å; D211-N214 PolarHBondContact O-N 3.34Å; D211-N214 VanDerWaalsContact O-N 3.11Å; D211-N214 WeakPolarHBondContact OD1-CA 3.44Å; D211-N214 PolarHBondContact OD1-N 3.27Å; D211-N214 VanDerWaalsContact OD1-N 3.1Å; D211-S215 PolarHBondContact OD1-N 3.01Å; D211-S215 PolarHBondContact OD1-OG 3.09Å; D211-S215 PolarHBondContact OD2-N 3.49Å; D211-H216 IonicContact OD1-CD2 3.75Å; D211-H216 WeakPolarHBondContact OD2-CB 3.27Å; D211-H216 IonicContact OD2-CD2 3.52Å; D211-H216 IonicContact OD2-CG 3.84Å; D211-H216 PolarHBondContact OD2-N 3.09Å; D211-R226 HydrophobicContact CB-CG 4.21Å; D211-R226 IonicContact OD2-CZ 2.76Å; D211-R226 IonicContact OD2-NE 2.91Å; D211-R226 PolarHBondContact OD2-NE 3.26Å; D211-R226 IonicContact OD2-NH2 3.26Å; D211-R226 PolarHBondContact OD2-NH2 3.01Å; D211-V227 PolarHBondContact N-O 3.4Å
212R92Very high87.4Confident62 Ų6258.9 Ų58.923%0.23434%0.343CS..THydrogen-bonded Turntrans-57.3-35.7-176.2-61.8-171.6168.1-76.96.4113D15 T16 D115 L210 V228D15-R212 PolarHBondContact O-NE 3.3Å; T16-R212 PolarHBondContact O-NH2 3.44Å; D115-R212 IonicContact OD1-CZ 2.86Å; D115-R212 IonicContact OD1-NH1 3.34Å; D115-R212 PolarHBondContact OD1-NH1 3.15Å; D115-R212 IonicContact OD1-NH2 3.86Å; D115-R212 PolarHBondContact OD1-NH2 2.99Å; D115-R212 IonicContact OD2-CZ 3.88Å; D115-R212 IonicContact OD2-NH1 2.71Å; D115-R212 PolarHBondContact OD2-NH1 2.84Å; D115-R212 IonicContact OD2-NH2 3.68Å; D115-R212 PolarHBondContact OD2-NH2 3.15Å; L210-R212 HydrophobicContact CD1-CG 4.07Å; L210-R212 HydrophobicContact CD2-CG 4Å; L210-R212 HydrophobicContact CG-CG 3.77Å; R212-V228 WeakPolarHBondContact CA-O 3.46Å
213D88.3Confident86.9Confident145 Ų14562.9 Ų62.978%0.77535%0.353SS*.THydrogen-bonded Turntrans-91.10.2-176.2-65.1-30.4000113D211 S215D211-D213 PolarHBondContact O-N 3.29Å; D213-S215 PolarHBondContact O-N 3.07Å
214N84.3Confident86.6Confident103 Ų10366.8 Ų66.855%0.55137%0.37SS*.  trans51.337.5-174.6-168.441.6000111.8D211 R226D211-N214 PolarHBondContact O-N 3.34Å; D211-N214 VanDerWaalsContact O-N 3.11Å; D211-N214 WeakPolarHBondContact OD1-CA 3.44Å; D211-N214 PolarHBondContact OD1-N 3.27Å; D211-N214 VanDerWaalsContact OD1-N 3.1Å; N214-R226 PolarHBondContact OD1-NH1 3.12Å; N214-R226 PolarHBondContact OD1-NH2 2.85Å
215S77.9Confident86.4Confident81 Ų8165.9 Ų65.957%0.56635%0.354SS*.  trans-93.3-17.2-165.367.70000113.6D211 D213D211-S215 PolarHBondContact OD1-N 3.01Å; D211-S215 PolarHBondContact OD1-OG 3.09Å; D211-S215 PolarHBondContact OD2-N 3.49Å; D213-S215 PolarHBondContact O-N 3.07Å
216H70.9Confident86.2Confident61 Ų6168.2 Ų68.228%0.28236%0.363SS..SBendtrans-79.7134.6178.4-72-82.3000111.7D211D211-H216 IonicContact OD1-CD2 3.75Å; D211-H216 WeakPolarHBondContact OD2-CB 3.27Å; D211-H216 IonicContact OD2-CD2 3.52Å; D211-H216 IonicContact OD2-CG 3.84Å; D211-H216 PolarHBondContact OD2-N 3.09Å
217K64.8Low86.1Confident185 Ų18565.7 Ų65.780%0.80435%0.351SS*.PPolyproline II helixtrans-60141.8176.8-65.5-175.5-179.8-1790110.8G219 A220K217-G219 PolarHBondContact O-N 2.87Å; K217-A220 PolarHBondContact O-N 3.13Å
218E60Low86Confident196 Ų19668.5 Ų68.592%0.91637%0.368SS*.THydrogen-bonded Turntrans-50.4135171.4-70.3-177.5168.300111.1
219G64Low85.9Confident80 Ų8070.1 Ų70.183%0.82538%0.378SS*.THydrogen-bonded Turntrans93.4-10175.200000116.7K217K217-G219 PolarHBondContact O-N 2.87Å
220A77.9Confident86Confident46 Ų4670.1 Ų70.138%0.3838%0.378SS..SBendtrans-74.9-27.4176.500000113.6Y193 K217Y193-A220 PolarHBondContact OH-O 3.11Å; K217-A220 PolarHBondContact O-N 3.13Å
221V87.1Confident85.9Confident13 Ų1373.3 Ų73.38%0.07940%0.395CS..SBendtrans-136.6131178.5178.20000107.8Y193 Y197 L209 H225 R226Y193-V221 HydrophobicContact CD2-CG2 3.62Å; Y193-V221 HydrophobicContact CE2-CG2 3.53Å; Y197-V221 HydrophobicContact CD1-CG2 4Å; Y197-V221 HydrophobicContact CD2-CG1 4.32Å; Y197-V221 HydrophobicContact CE1-CG1 4.21Å; Y197-V221 HydrophobicContact CE1-CG2 3.92Å; Y197-V221 HydrophobicContact CE2-CG1 3.82Å; Y197-V221 HydrophobicContact CG-CG2 4.44Å; L209-V221 HydrophobicContact CB-CG1 4.46Å; L209-V221 HydrophobicContact CD2-CG2 3.8Å; V221-H225 HydrophobicContact CG1-CB 3.86Å; V221-R226 HydrophobicContact CG1-CB 4.15Å
222P91.1Very high86Confident54 Ų5475.9 Ų75.935%0.35141%0.407SS..  trans-56.8140.8172.9-22.633.3000111.2Y197 E224 H225 R226Y197-P222 WeakPolarHBondContact OH-CD 3.45Å; P222-E224 HydrophobicContact CB-CG 4.36Å; P222-E224 WeakPolarHBondContact CB-OE1 3.08Å; P222-E224 WeakPolarHBondContact CB-OE2 3.31Å; P222-E224 PolarHBondContact O-N 3.37Å; P222-E224 VanDerWaalsContact O-N 3.16Å; P222-H225 PolarHBondContact O-N 3.46Å; P222-R226 PolarHBondContact O-N 3.47Å
223Q89.5Confident86.2Confident161 Ų16172.9 Ų72.975%0.75240%0.396SS*.G310 helixtrans-58.7-34-170.6-173177.211.400112.7H225 R226Q223-H225 PolarHBondContact O-N 3.17Å; Q223-R226 PolarHBondContact O-N 2.98Å
224E90.6Very high86.5Confident105 Ų10566.2 Ų66.249%0.49136%0.36SS..G310 helixtrans-64.7-23.1177.266-85.3-161.700113.7F208 P222F208-E224 WeakPolarHBondContact CE1-O 3.43Å; P222-E224 HydrophobicContact CB-CG 4.36Å; P222-E224 WeakPolarHBondContact CB-OE1 3.08Å; P222-E224 WeakPolarHBondContact CB-OE2 3.31Å; P222-E224 PolarHBondContact O-N 3.37Å; P222-E224 VanDerWaalsContact O-N 3.16Å
225H94.3Very high87Confident24 Ų2463.6 Ų63.611%0.11135%0.35CS..G310 helixtrans-98.4-3.1177.9-54.7127.3000113.5Y197 R201 F208 L209 V221 P222 Q223Y197-H225 HydrophobicContact CE2-CB 3.65Å; Y197-H225 PolarHBondContact OH-ND1 3.13Å; R201-H225 PolarHBondContact NH1-CD2 2.89Å; R201-H225 PolarHBondContact NH1-CE1 3.25Å; R201-H225 PolarHBondContact NH1-NE2 2.74Å; F208-H225 CarbonylContact C-O 3.59Å; F208-H225 VanDerWaalsContact CA-O 3.24Å; F208-H225 WeakPolarHBondContact CA-O 3.5Å; L209-H225 PolarHBondContact N-O 3.23Å; V221-H225 HydrophobicContact CG1-CB 3.86Å; P222-H225 PolarHBondContact O-N 3.46Å; Q223-H225 PolarHBondContact O-N 3.17Å
226R94.9Very high87.7Confident53 Ų5363.5 Ų63.520%0.234%0.337CS..EExtended strand (participates in β ladder)trans-105.9129.8-179.8-175.2175.2174.5-130.76.8109.2L209 D211 N214 V221 P222 Q223L209-R226 WeakPolarHBondContact O-CA 3.3Å; D211-R226 HydrophobicContact CB-CG 4.21Å; D211-R226 IonicContact OD2-CZ 2.76Å; D211-R226 IonicContact OD2-NE 2.91Å; D211-R226 PolarHBondContact OD2-NE 3.26Å; D211-R226 IonicContact OD2-NH2 3.26Å; D211-R226 PolarHBondContact OD2-NH2 3.01Å; N214-R226 PolarHBondContact OD1-NH1 3.12Å; N214-R226 PolarHBondContact OD1-NH2 2.85Å; V221-R226 HydrophobicContact CG1-CB 4.15Å; P222-R226 PolarHBondContact O-N 3.47Å; Q223-R226 PolarHBondContact O-N 2.98Å
227V95.5Very high88.8Confident0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-124.9138.6174.4-66.50000108.9L209 L210 D211 E232 R236L209-V227 PolarHBondContact O-N 3.1Å; L210-V227 CarbonylContact C-O 3.4Å; L210-V227 WeakPolarHBondContact CA-O 3.17Å; L210-V227 HydrophobicContact CB-CG2 4.28Å; L210-V227 HydrophobicContact CD1-CG2 3.92Å; D211-V227 PolarHBondContact N-O 3.4Å; V227-E232 HydrophobicContact CB-CB 4.2Å; V227-E232 HydrophobicContact CG1-CB 3.94Å; V227-R236 HydrophobicContact CG1-CG 3.94Å
228V94.9Very high90Very high58 Ų5856 Ų5635%0.35231%0.305SS..SBendtrans-94.3-33.8179.3179.50000110.7R212 E232R212-V228 WeakPolarHBondContact CA-O 3.46Å; V228-E232 PolarHBondContact N-OE1 3.37Å
229T96.8Very high91.3Very high38 Ų3850.1 Ų50.123%0.23328%0.28CS..SBendtrans-120.2151.4168.8170.80000110.7D115 D231 E232D115-T229 PolarHBondContact OD2-OG1 3.26Å; T229-D231 HydrophobicContact CG2-CB 3.91Å; T229-D231 PolarHBondContact O-N 2.8Å; T229-D231 PolarHBondContact OG1-N 3.04Å; T229-D231 VanDerWaalsContact OG1-N 3.12Å; T229-D231 PolarHBondContact OG1-OD2 3.14Å; T229-E232 HydrophobicContact CG2-CG 3.85Å; T229-E232 WeakPolarHBondContact CG2-OE1 3.42Å; T229-E232 PolarHBondContact N-OE1 3.28Å; T229-E232 PolarHBondContact O-N 3Å
230L98.1Very high92.3Very high0 Ų048.5 Ų48.50%025%0.253CS..G310 helixtrans-65.2-15.2171.9-67.8177000112.9W11 L17 D115 A119 V189 L210 E232 L233 P234W11-L230 HydrophobicContact CH2-CD2 4.46Å; W11-L230 HydrophobicContact CZ3-CD1 4.11Å; W11-L230 HydrophobicContact CZ3-CD2 3.76Å; L17-L230 HydrophobicContact CD2-CD1 3.68Å; D115-L230 HydrophobicContact CB-CB 4.1Å; D115-L230 PolarHBondContact OD2-N 3.49Å; A119-L230 HydrophobicContact CB-CB 3.58Å; A119-L230 HydrophobicContact CB-CD1 4.48Å; V189-L230 HydrophobicContact CG2-CD2 4.21Å; L210-L230 HydrophobicContact CD1-CD2 4.02Å; L210-L230 HydrophobicContact CD1-CG 4.2Å; L210-L230 HydrophobicContact CD2-CD1 4.49Å; L210-L230 HydrophobicContact CD2-CD2 3.76Å; L210-L230 HydrophobicContact CD2-CG 3.96Å; L210-L230 HydrophobicContact CG-CD2 4.39Å; L230-E232 PolarHBondContact O-N 3.41Å; L230-L233 WeakPolarHBondContact O-CB 3.32Å; L230-L233 PolarHBondContact O-N 2.92Å; L230-P234 WeakPolarHBondContact O-CD 3.46Å
231D96.6Very high92.4Very high70 Ų7049.2 Ų49.237%0.37425%0.249SC..G310 helixtrans-63.7-24.9175.2-65.1-50.7000113.4R122 T229R122-D231 PolarHBondContact NH1-O 3.07Å; T229-D231 HydrophobicContact CG2-CB 3.91Å; T229-D231 PolarHBondContact O-N 2.8Å; T229-D231 PolarHBondContact OG1-N 3.04Å; T229-D231 VanDerWaalsContact OG1-N 3.12Å; T229-D231 PolarHBondContact OG1-OD2 3.14Å
232E95.9Very high91.6Very high58 Ų5854.6 Ų54.627%0.27128%0.276SS..G310 helixtrans-78.8-27.2177.7-68.5166.8-134.700112.5V227 V228 T229 L230 S235 R236V227-E232 HydrophobicContact CB-CB 4.2Å; V227-E232 HydrophobicContact CG1-CB 3.94Å; V228-E232 PolarHBondContact N-OE1 3.37Å; T229-E232 HydrophobicContact CG2-CG 3.85Å; T229-E232 WeakPolarHBondContact CG2-OE1 3.42Å; T229-E232 PolarHBondContact N-OE1 3.28Å; T229-E232 PolarHBondContact O-N 3Å; L230-E232 PolarHBondContact O-N 3.41Å; E232-S235 PolarHBondContact O-N 2.98Å; E232-S235 PolarHBondContact O-OG 3.46Å; E232-R236 WeakPolarHBondContact O-CG 3.46Å; E232-R236 PolarHBondContact O-N 2.93Å
233L96.8Very high89.9Confident0 Ų058.9 Ų58.90%029%0.291CS..Hα-helixtrans-60.2-45.4-170.4-178.270.9000113.1W11 V189 F208 L230 S235 R236 L237W11-L233 HydrophobicContact CH2-CD2 3.38Å; W11-L233 HydrophobicContact CZ2-CD2 3.83Å; W11-L233 HydrophobicContact CZ3-CD2 3.96Å; V189-L233 HydrophobicContact CB-CD1 4.48Å; V189-L233 HydrophobicContact CB-CD2 4.11Å; V189-L233 HydrophobicContact CG1-CD2 3.79Å; V189-L233 HydrophobicContact CG2-CD1 4.45Å; V189-L233 HydrophobicContact CG2-CD2 4.19Å; F208-L233 HydrophobicContact CB-CD1 4.13Å; F208-L233 HydrophobicContact CD1-CD1 4.12Å; F208-L233 HydrophobicContact CD2-CD1 4.13Å; F208-L233 HydrophobicContact CG-CD1 3.85Å; L230-L233 WeakPolarHBondContact O-CB 3.32Å; L230-L233 PolarHBondContact O-N 2.92Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.35Å; L233-R236 WeakPolarHBondContact O-CB 3.46Å; L233-R236 PolarHBondContact O-N 2.89Å; L233-R236 VanDerWaalsContact O-N 3.07Å; L233-L237 HydrophobicContact CD1-CD1 4.22Å; L233-L237 HydrophobicContact CD1-CD2 4.37Å; L233-L237 HydrophobicContact CD1-CG 4.06Å; L233-L237 HydrophobicContact CD2-CD1 4.21Å; L233-L237 HydrophobicContact CG-CD1 3.77Å; L233-L237 HydrophobicContact CG-CG 4.08Å; L233-L237 WeakPolarHBondContact O-CG 3.28Å; L233-L237 PolarHBondContact O-N 2.81Å
234P95.6Very high89.9Confident4 Ų453.8 Ų53.83%0.02627%0.268CS..Hα-helixtrans-57-40.6179.9-26.835.4000113.5R122 L126 L230 L237 Q238R122-P234 HydrophobicContact CB-CB 4.03Å; R122-P234 HydrophobicContact CB-CG 3.61Å; L126-P234 HydrophobicContact CD1-CB 4.09Å; L126-P234 WeakPolarHBondContact CD1-O 3.31Å; L230-P234 WeakPolarHBondContact O-CD 3.46Å; P234-L237 PolarHBondContact O-N 2.93Å; P234-Q238 WeakPolarHBondContact O-CB 3.24Å; P234-Q238 PolarHBondContact O-N 3.11Å
235S93.3Very high89.8Confident49 Ų4951.1 Ų51.134%0.34326%0.256SS..Hα-helixtrans-64.4-43.9175.130.40000111.9E232 L233 L237 Q238 D239E232-S235 PolarHBondContact O-N 2.98Å; E232-S235 PolarHBondContact O-OG 3.46Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.35Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 2.84Å; S235-Q238 WeakPolarHBondContact O-CB 3.45Å; S235-Q238 PolarHBondContact O-N 3.34Å; S235-Q238 VanDerWaalsContact O-N 3.12Å; S235-D239 PolarHBondContact O-N 2.78Å
236R93.5Very high89.6Confident78 Ų7852.6 Ų52.629%0.29426%0.264SS..Hα-helixtrans-60.9-40.2177.7-63.5-62.4-177.6-147.5-0.3112.6F208 V227 E232 L233 Q238F208-R236 HydrophobicContact CD1-CB 4.43Å; F208-R236 HydrophobicContact CE1-CB 3.66Å; F208-R236 HydrophobicContact CE1-CG 4.33Å; F208-R236 HydrophobicContact CZ-CB 4.15Å; V227-R236 HydrophobicContact CG1-CG 3.94Å; E232-R236 WeakPolarHBondContact O-CG 3.46Å; E232-R236 PolarHBondContact O-N 2.93Å; L233-R236 WeakPolarHBondContact O-CB 3.46Å; L233-R236 PolarHBondContact O-N 2.89Å; L233-R236 VanDerWaalsContact O-N 3.07Å; R236-Q238 VanDerWaalsContact C-N 3.34Å
237L93.8Very high89.3Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-68.5-36.6176.7-65.5171.6000111.5L6 V9 L128 A187 F208 L233 P234 S235 L240 M241L6-L237 HydrophobicContact CD1-CB 4.37Å; L6-L237 HydrophobicContact CD1-CD2 3.88Å; V9-L237 HydrophobicContact CG1-CD1 4.35Å; V9-L237 HydrophobicContact CG2-CD1 3.52Å; V9-L237 HydrophobicContact CG2-CD2 4.31Å; L128-L237 HydrophobicContact CD1-CB 4.28Å; L128-L237 HydrophobicContact CD1-CD1 3.95Å; A187-L237 HydrophobicContact CB-CD2 3.5Å; F208-L237 HydrophobicContact CD2-CD2 4.28Å; F208-L237 HydrophobicContact CE2-CD2 3.63Å; F208-L237 HydrophobicContact CZ-CD2 4.13Å; L233-L237 HydrophobicContact CD1-CD1 4.22Å; L233-L237 HydrophobicContact CD1-CD2 4.37Å; L233-L237 HydrophobicContact CD1-CG 4.06Å; L233-L237 HydrophobicContact CD2-CD1 4.21Å; L233-L237 HydrophobicContact CG-CD1 3.77Å; L233-L237 HydrophobicContact CG-CG 4.08Å; L233-L237 WeakPolarHBondContact O-CG 3.28Å; L233-L237 PolarHBondContact O-N 2.81Å; P234-L237 PolarHBondContact O-N 2.93Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 2.84Å; L237-L240 PolarHBondContact O-N 3.39Å; L237-M241 WeakPolarHBondContact O-CG 3.34Å; L237-M241 PolarHBondContact O-N 3.31Å
238Q90.1Very high88.9Confident89 Ų8955.9 Ų55.942%0.41629%0.285SS..Hα-helixtrans-65.7-38.3177.5-173.5170.524.500112.2P234 S235 R236 L240 M241 I242P234-Q238 WeakPolarHBondContact O-CB 3.24Å; P234-Q238 PolarHBondContact O-N 3.11Å; S235-Q238 WeakPolarHBondContact O-CB 3.45Å; S235-Q238 PolarHBondContact O-N 3.34Å; S235-Q238 VanDerWaalsContact O-N 3.12Å; R236-Q238 VanDerWaalsContact C-N 3.34Å; Q238-L240 VanDerWaalsContact C-N 3.26Å; Q238-L240 PolarHBondContact O-N 3.4Å; Q238-M241 WeakPolarHBondContact O-CA 3.42Å; Q238-M241 WeakPolarHBondContact O-CB 3.34Å; Q238-M241 PolarHBondContact O-N 3.41Å; Q238-I242 HydrophobicContact CG-CD1 3.65Å; Q238-I242 HydrophobicContact CG-CG1 4.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.37Å; Q238-I242 PolarHBondContact O-N 2.98Å
239D87Confident88.5Confident73 Ų7355.7 Ų55.739%0.3928%0.281SS..Hα-helixtrans-57.3-41.8174.4-62.7-24.3000110.8S235 M241 I242 E243S235-D239 PolarHBondContact O-N 2.78Å; D239-M241 PolarHBondContact O-N 3.18Å; D239-I242 PolarHBondContact O-N 3.05Å; D239-E243 WeakPolarHBondContact O-CG 3.38Å; D239-E243 PolarHBondContact O-N 3.04Å
240L84.1Confident87.9Confident46 Ų4657 Ų5724%0.24128%0.284CS..Hα-helixtrans-69.5-12.4175.1-64.5179.5000114.6L6 H206 F208 L237 Q238L6-L240 HydrophobicContact CD1-CB 3.74Å; L6-L240 HydrophobicContact CD1-CD1 3.96Å; L6-L240 HydrophobicContact CG-CB 4.28Å; H206-L240 HydrophobicContact CB-CD1 4.13Å; F208-L240 HydrophobicContact CE2-CD1 3.92Å; F208-L240 HydrophobicContact CZ-CD1 3.62Å; L237-L240 PolarHBondContact O-N 3.39Å; Q238-L240 VanDerWaalsContact C-N 3.26Å; Q238-L240 PolarHBondContact O-N 3.4Å
241M81.6Confident87.1Confident60 Ų6061.4 Ų61.430%0.29631%0.306SS..Hα-helixtrans-96.8-22.1178.8-67.5172.670.700113.2L6 L128 L237 Q238 D239L6-M241 HydrophobicContact CB-CG 3.96Å; L6-M241 HydrophobicContact CD1-CG 4.42Å; L6-M241 HydrophobicContact CG-CG 4.44Å; L128-M241 HydrophobicContact CD1-SD 4.43Å; L128-M241 HydrophobicContact CD2-CE 4.45Å; L128-M241 HydrophobicContact CD2-SD 4.17Å; L128-M241 HydrophobicContact CG-SD 4.49Å; L237-M241 WeakPolarHBondContact O-CG 3.34Å; L237-M241 PolarHBondContact O-N 3.31Å; Q238-M241 WeakPolarHBondContact O-CA 3.42Å; Q238-M241 WeakPolarHBondContact O-CB 3.34Å; Q238-M241 PolarHBondContact O-N 3.41Å; D239-M241 PolarHBondContact O-N 3.18Å
242I69.7Low86.3Confident127 Ų12760.7 Ų60.765%0.65130%0.3SS*.Hα-helixtrans-100-29.7-173.7-63.2173.2000111.9Q238 D239Q238-I242 HydrophobicContact CG-CD1 3.65Å; Q238-I242 HydrophobicContact CG-CG1 4.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.37Å; Q238-I242 PolarHBondContact O-N 2.98Å; D239-I242 PolarHBondContact O-N 3.05Å
243E54.8Low85.5Confident144 Ų14460.9 Ų60.967%0.67330%0.303SS*.  trans-82.30176.8-60.4-178.8173.900114R3 D239R3-E243 VanDerWaalsContact CB-OXT 3.24Å; R3-E243 WeakPolarHBondContact CB-OXT 3.18Å; R3-E243 VanDerWaalsContact CD-C 3.48Å; R3-E243 WeakPolarHBondContact CD-O 3.43Å; R3-E243 WeakPolarHBondContact CD-OXT 3.47Å; R3-E243 IonicContact CZ-OE2 3.77Å; R3-E243 IonicContact NH1-OE2 2.68Å; R3-E243 PolarHBondContact NH1-OE2 2.68Å; R3-E243 IonicContact NH2-OE2 4Å; D239-E243 WeakPolarHBondContact O-CG 3.38Å; D239-E243 PolarHBondContact O-N 3.04Å

Retrieved 243 of 243 residues in 162.4 ms (Link to these results)

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