A0A096N788_PAPAN Loading...

Peptidyl-prolyl cis-trans isomerase D

AlphaFold DB , UniProt , Accession A0A096N788, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 370 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
1M62Low92.3Very high217 Ų21784.8 Ų84.8100%1.06946%0.456SS*.  0141.40-71.1-167.1-84.500107.6H3M1-H3 PolarHBondContact O-CD2 3.4Å
2S88.4Confident92.7Very high50 Ų5081.1 Ų81.135%0.3544%0.436SS..  trans-86138.5177.458.20000110.8H109 K111S2-H109 CarbonylContact C-O 3.39Å; S2-H109 WeakPolarHBondContact CA-O 3.2Å; S2-K111 WeakPolarHBondContact OG-CE 3.28Å; S2-K111 PolarHBondContact OG-NZ 2.99Å
3H97Very high92.9Very high89 Ų8984 Ų8441%0.41246%0.462SS..BIsolated β-bridgetrans-105.3150.9179.9-66.7-92.4000111.4M1 H109 Y110 K111M1-H3 PolarHBondContact O-CD2 3.4Å; H3-H109 AromaticContact CD2-CE1 3.17Å; H3-H109 PolarHBondContact CD2-CE1 2.91Å; H3-H109 AromaticContact CD2-ND1 3.57Å; H3-H109 AromaticContact CD2-NE2 3.51Å; H3-H109 AromaticContact CG-CE1 3.77Å; H3-H109 AromaticContact CG-NE2 3.67Å; H3-H109 PolarHBondContact N-O 3.43Å; H3-H109 AromaticContact NE2-CE1 3.71Å; H3-Y110 HydrophobicContact CB-CD1 4.4Å; H3-Y110 WeakPolarHBondContact O-CA 3.42Å; H3-K111 WeakPolarHBondContact O-CG 3.44Å; H3-K111 PolarHBondContact O-N 3.32Å
4P97.4Very high93.2Very high89 Ų8984.9 Ų84.958%0.57848%0.477SS*.PPolyproline II helixtrans-56.1147.6168-21.633.3000111.4Y110 D113P4-Y110 VanDerWaalsContact O-CD1 3.24Å; P4-Y110 WeakPolarHBondContact O-CD1 3.48Å; P4-Y110 WeakPolarHBondContact O-CE1 3Å; P4-D113 VanDerWaalsContact CA-OD2 3.23Å; P4-D113 WeakPolarHBondContact CA-OD2 3.42Å
5S96.8Very high93.6Very high7 Ų779.7 Ų79.75%0.04945%0.448CS..PPolyproline II helixtrans-72.5155.2178.175.60000111.9Q7 D113 R114S5-Q7 PolarHBondContact O-N 3.24Å; S5-D113 VanDerWaalsContact CB-OD1 3.27Å; S5-D113 WeakPolarHBondContact CB-OD1 3.32Å; S5-D113 PolarHBondContact N-OD2 3.33Å; S5-D113 PolarHBondContact OG-OD1 3.17Å; S5-R114 PolarHBondContact OG-NE 3.01Å
6P96.3Very high93.9Very high19 Ų1976.6 Ų76.612%0.12343%0.432CS..PPolyproline II helixtrans-64.2130-176.6-22.333.9000112.5F37 Y110 R114P6-F37 HydrophobicContact CG-CE1 4.09Å; P6-F37 HydrophobicContact CG-CZ 4.08Å; P6-Y110 HydrophobicContact CG-CE1 3.99Å; P6-Y110 HydrophobicContact CG-CE2 4.19Å; P6-R114 PolarHBondContact O-NE 3.43Å; P6-R114 PolarHBondContact O-NH1 2.92Å; P6-R114 PolarHBondContact O-NH2 3.09Å
7Q93.9Very high94.2Very high177 Ų17774.4 Ų74.483%0.82742%0.415SS*.  trans-81-28.1176-65.2-171.4000113S5S5-Q7 PolarHBondContact O-N 3.24Å
8V94.8Very high94.5Very high105 Ų10570.3 Ų70.364%0.63639%0.392SS*.SBendtrans-77.8145.9-179.3-170.40000110.2P10 S11 Q151V8-P10 CarbonylContact C-O 3.5Å; V8-P10 WeakPolarHBondContact CG1-O 3.41Å; V8-P10 CarbonylContact O-C 3.46Å; V8-S11 PolarHBondContact O-N 3.14Å; V8-Q151 PolarHBondContact O-NE2 3.3Å
9K94.8Very high94.7Very high100 Ų10068.1 Ų68.144%0.43538%0.378SS..SBendtrans-129109.2-176.7-66.1177.7175.9-159.10109.7V152 I153K9-V152 WeakPolarHBondContact CE-O 3.18Å; K9-V152 PolarHBondContact NZ-O 3.43Å; K9-I153 HydrophobicContact CB-CB 4.24Å; K9-I153 HydrophobicContact CB-CG2 3.91Å; K9-I153 HydrophobicContact CG-CG2 4.17Å
10P96.5Very high94.9Very high42 Ų4264.7 Ų64.727%0.27336%0.359SS..SBendcis-71.5161.6-7.532.7-35.6000112.5V8 E35V8-P10 CarbonylContact C-O 3.5Å; V8-P10 WeakPolarHBondContact CG1-O 3.41Å; V8-P10 CarbonylContact O-C 3.46Å; P10-E35 VanDerWaalsContact CA-OE2 3.29Å; P10-E35 WeakPolarHBondContact CA-OE2 3.47Å; P10-E35 HydrophobicContact CB-CG 4.26Å
11S97.1Very high95.1Very high38 Ų3861.9 Ų61.927%0.26634%0.344SS..SBendtrans-72.3-36.9174.6720000112.3V8 E35V8-S11 PolarHBondContact O-N 3.14Å; S11-E35 WeakPolarHBondContact CA-OE1 3.28Å; S11-E35 WeakPolarHBondContact CB-OE1 3.48Å; S11-E35 PolarHBondContact N-OE1 2.93Å; S11-E35 PolarHBondContact N-OE2 3.31Å; S11-E35 PolarHBondContact OG-OE1 3.25Å
12N97.3Very high96.8Very high40 Ų4051.5 Ų51.521%0.21429%0.293CS..SBendtrans-136.3125.7176.1-174.5-28.8000109.3S14 N15 E35 D39N12-S14 PolarHBondContact O-N 3.27Å; N12-S14 VanDerWaalsContact O-N 3.15Å; N12-S14 PolarHBondContact OD1-N 3.37Å; N12-S14 PolarHBondContact OD1-OG 3.09Å; N12-N15 HydrophobicContact CB-CB 4.37Å; N12-N15 WeakPolarHBondContact CB-ND2 3.25Å; N12-N15 WeakPolarHBondContact O-CB 3.37Å; N12-N15 PolarHBondContact O-N 3.1Å; N12-N15 VanDerWaalsContact O-N 3.08Å; N12-E35 PolarHBondContact N-OE1 3.03Å; N12-E35 VanDerWaalsContact N-OE1 3.14Å; N12-D39 PolarHBondContact ND2-OD2 3.01Å
13P95.9Very high97.3Very high119 Ų11950.5 Ų50.577%0.77328%0.283SS*.THydrogen-bonded Turntrans-59.1-26.4-179.8-24.934.3000114.5N15P13-N15 VanDerWaalsContact C-N 3.33Å
14S97.4Very high97.3Very high96 Ų9647.3 Ų47.367%0.67127%0.269SS*.THydrogen-bonded Turntrans-82-9.8179.566.30000114N12N12-S14 PolarHBondContact O-N 3.27Å; N12-S14 VanDerWaalsContact O-N 3.15Å; N12-S14 PolarHBondContact OD1-N 3.37Å; N12-S14 PolarHBondContact OD1-OG 3.09Å
15N98.6Very high97.3Very high7 Ų745.3 Ų45.34%0.03727%0.265CS..SBendtrans-68.2139.8-179.7-88.1-18.5000111.4N12 P13 E35 L36 A38 D39N12-N15 HydrophobicContact CB-CB 4.37Å; N12-N15 WeakPolarHBondContact CB-ND2 3.25Å; N12-N15 WeakPolarHBondContact O-CB 3.37Å; N12-N15 PolarHBondContact O-N 3.1Å; N12-N15 VanDerWaalsContact O-N 3.08Å; P13-N15 VanDerWaalsContact C-N 3.33Å; N15-E35 HydrophobicContact CB-CG 3.83Å; N15-E35 PolarHBondContact ND2-OE1 2.93Å; N15-L36 WeakPolarHBondContact CB-O 3.49Å; N15-L36 PolarHBondContact OD1-O 3.07Å; N15-A38 PolarHBondContact OD1-N 2.95Å; N15-A38 VanDerWaalsContact OD1-N 3.13Å; N15-D39 PolarHBondContact ND2-OD1 3.34Å; N15-D39 PolarHBondContact OD1-N 3.04Å; N15-D39 VanDerWaalsContact OD1-N 3.16Å; N15-D39 PolarHBondContact OD1-OD1 3.38Å; N15-D39 VanDerWaalsContact OD1-OD1 3.14Å
16P98.7Very high97.2Very high30 Ų3048.2 Ų48.220%0.19530%0.295CS..  trans-58.4142.7175.9-23.333.1000111.8L36 A38 R49P16-L36 HydrophobicContact CB-CB 4.46Å; P16-L36 HydrophobicContact CB-CD1 4.39Å; P16-L36 PolarHBondContact O-N 3.36Å; P16-A38 VanDerWaalsContact CD-CB 3.48Å; P16-A38 HydrophobicContact CG-CB 4.03Å; P16-R49 HydrophobicContact CB-CG 4.44Å
17R98.8Very high97Very high40 Ų4052.6 Ų52.615%0.15131%0.314CS..EExtended strand (participates in β ladder)trans-115.1128.6173.2-66.9171.5-69.1148.29.5108.3L34 I153 E183 L184 K185R17-L34 CarbonylContact C-O 3.59Å; R17-L34 WeakPolarHBondContact CA-O 3.36Å; R17-I153 HydrophobicContact CG-CD1 3.9Å; R17-E183 WeakPolarHBondContact O-CA 3.37Å; R17-E183 WeakPolarHBondContact O-CG 3.42Å; R17-L184 HydrophobicContact CB-CB 4.25Å; R17-L184 PolarHBondContact O-N 3.06Å; R17-K185 PolarHBondContact NH2-O 3.27Å
18V98.9Very high97.1Very high0 Ų048.9 Ų48.90%029%0.293CS..EExtended strand (participates in β ladder)trans-125.7162177.5-61.30000110.1V33 L34 L36 F48 R49 C52 G182 E183V18-V33 CarbonylContact O-C 3.52Å; V18-V33 WeakPolarHBondContact O-CA 3.38Å; V18-V33 WeakPolarHBondContact O-CG1 3.44Å; V18-L34 HydrophobicContact CG2-CB 3.88Å; V18-L34 HydrophobicContact CG2-CD1 4.29Å; V18-L34 PolarHBondContact N-O 3.42Å; V18-L34 PolarHBondContact O-N 2.92Å; V18-L36 HydrophobicContact CG1-CD1 3.86Å; V18-L36 HydrophobicContact CG2-CD1 4.07Å; V18-L36 HydrophobicContact CG2-CD2 3.99Å; V18-L36 HydrophobicContact CG2-CG 4.09Å; V18-F48 HydrophobicContact CG2-CD1 4.07Å; V18-F48 HydrophobicContact CG2-CE1 3.9Å; V18-R49 HydrophobicContact CG1-CB 4.49Å; V18-R49 HydrophobicContact CG1-CG 4.14Å; V18-C52 HydrophobicContact CB-CB 4.16Å; V18-C52 HydrophobicContact CG1-CB 4.12Å; V18-G182 CarbonylContact C-O 3.44Å; V18-G182 WeakPolarHBondContact CA-O 3.43Å; V18-G182 VanDerWaalsContact CB-O 3.25Å; V18-G182 WeakPolarHBondContact CB-O 3.44Å; V18-E183 HydrophobicContact CG1-CB 4.31Å; V18-E183 HydrophobicContact CG1-CG 4.25Å
19F98.8Very high97Very high28 Ų2845.4 Ų45.412%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-133.8155.3-179.371.5-90.3000112.9R31 I32 V33 C181 G182 L184F19-R31 HydrophobicContact CB-CG 4.13Å; F19-R31 VanDerWaalsContact CD2-NH2 3.33Å; F19-I32 CarbonylContact C-O 3.49Å; F19-I32 WeakPolarHBondContact CA-O 3.48Å; F19-V33 HydrophobicContact CB-CG2 4.37Å; F19-C181 WeakPolarHBondContact O-CA 3.04Å; F19-C181 WeakPolarHBondContact O-CB 3.43Å; F19-G182 WeakPolarHBondContact CD1-O 3.25Å; F19-G182 VanDerWaalsContact CE1-CA 3.5Å; F19-G182 PolarHBondContact N-O 3.17Å; F19-G182 PolarHBondContact O-N 3.33Å; F19-L184 HydrophobicContact CD1-CD2 3.76Å; F19-L184 HydrophobicContact CD1-CG 3.94Å; F19-L184 HydrophobicContact CE1-CD2 4.15Å
20F98.8Very high97Very high0 Ų041.1 Ų41.10%026%0.256CS..EExtended strand (participates in β ladder)trans-124.4120.7165.3-63-31.3000109.6V22 R31 I32 L34 F48 F68 F132 I178 E180 C181F20-V22 HydrophobicContact CB-CG2 4.22Å; F20-R31 CarbonylContact O-C 3.55Å; F20-R31 VanDerWaalsContact O-CA 3.28Å; F20-R31 WeakPolarHBondContact O-CA 3.42Å; F20-I32 HydrophobicContact CB-CB 4.48Å; F20-I32 PolarHBondContact N-O 2.94Å; F20-I32 PolarHBondContact O-N 3.38Å; F20-L34 HydrophobicContact CD2-CD1 3.9Å; F20-L34 HydrophobicContact CE2-CD1 3.65Å; F20-L34 HydrophobicContact CZ-CD1 4.25Å; F20-F48 HydrophobicContact CE1-CE1 4.49Å; F20-F48 HydrophobicContact CE1-CZ 4.47Å; F20-F48 HydrophobicContact CE2-CE1 4.33Å; F20-F48 AromaticContact CE2-CZ 3.8Å; F20-F48 HydrophobicContact CE2-CZ 3.8Å; F20-F48 AromaticContact CZ-CE1 3.74Å; F20-F48 HydrophobicContact CZ-CE1 3.74Å; F20-F48 HydrophobicContact CZ-CE2 4.37Å; F20-F48 AromaticContact CZ-CZ 3.38Å; F20-F48 HydrophobicContact CZ-CZ 3.38Å; F20-F68 HydrophobicContact CE1-CB 4.27Å; F20-F68 AromaticContact CE1-CD2 3.99Å; F20-F68 HydrophobicContact CE1-CD2 3.99Å; F20-F68 HydrophobicContact CE1-CG 4.46Å; F20-F68 AromaticContact CZ-CD2 3.99Å; F20-F68 HydrophobicContact CZ-CD2 3.99Å; F20-F68 HydrophobicContact CZ-CE2 4.44Å; F20-F132 HydrophobicContact CD2-CZ 4.43Å; F20-F132 HydrophobicContact CE2-CE1 4.21Å; F20-F132 AromaticContact CE2-CE2 3.9Å; F20-F132 HydrophobicContact CE2-CE2 3.9Å; F20-F132 AromaticContact CE2-CZ 3.44Å; F20-F132 HydrophobicContact CE2-CZ 3.44Å; F20-F132 VanDerWaalsContact CE2-CZ 3.44Å; F20-F132 HydrophobicContact CZ-CE1 4.18Å; F20-F132 AromaticContact CZ-CZ 3.86Å; F20-F132 HydrophobicContact CZ-CZ 3.86Å; F20-I178 HydrophobicContact CB-CG2 4.09Å; F20-I178 HydrophobicContact CD1-CD1 4.18Å; F20-I178 HydrophobicContact CD1-CG1 4.41Å; F20-I178 HydrophobicContact CD1-CG2 3.53Å; F20-I178 HydrophobicContact CD2-CD1 4.19Å; F20-I178 HydrophobicContact CD2-CG1 4.41Å; F20-I178 HydrophobicContact CE1-CD1 4.02Å; F20-I178 HydrophobicContact CE1-CG2 4.13Å; F20-I178 HydrophobicContact CE2-CD1 4.02Å; F20-I178 HydrophobicContact CG-CD1 4.26Å; F20-I178 HydrophobicContact CG-CG1 4.24Å; F20-I178 HydrophobicContact CG-CG2 3.94Å; F20-I178 HydrophobicContact CZ-CD1 3.92Å; F20-E180 CarbonylContact C-O 3.52Å; F20-E180 WeakPolarHBondContact CA-O 3.47Å; F20-C181 HydrophobicContact CD1-CB 3.57Å; F20-C181 HydrophobicContact CE1-CB 3.87Å
21D98.4Very high97.1Very high6 Ų640.3 Ų40.33%0.03225%0.248CC..EExtended strand (participates in β ladder)trans-85.9118.4162-67.4-14.9000107.4R28 R31 A179 E180 K195D21-R28 IonicContact OD2-NH1 3.57Å; D21-R31 IonicContact OD1-CZ 3.52Å; D21-R31 VanDerWaalsContact OD1-CZ 3.3Å; D21-R31 IonicContact OD1-NE 2.73Å; D21-R31 PolarHBondContact OD1-NE 3.42Å; D21-R31 IonicContact OD1-NH2 3.76Å; D21-R31 PolarHBondContact OD1-NH2 2.95Å; D21-R31 IonicContact OD2-NH2 3.6Å; D21-R31 PolarHBondContact OD2-NH2 3.16Å; D21-R31 VanDerWaalsContact OD2-NH2 3.12Å; D21-A179 WeakPolarHBondContact O-CB 3.44Å; D21-A179 PolarHBondContact O-N 2.67Å; D21-E180 HydrophobicContact CB-CB 4.02Å; D21-E180 PolarHBondContact N-O 2.9Å; D21-E180 PolarHBondContact O-N 3.34Å; D21-K195 IonicContact OD2-NZ 3.04Å; D21-K195 PolarHBondContact OD2-NZ 2.96Å
22V98.5Very high97.2Very high0 Ų038.5 Ų38.50%024%0.235CC..EExtended strand (participates in β ladder)trans-105.3131.8-169.8177.20000110.9F20 I24 R28 V29 G30 I32 F73 V158 L162 I177F20-V22 HydrophobicContact CB-CG2 4.22Å; V22-I24 HydrophobicContact CG1-CG1 4.38Å; V22-R28 WeakPolarHBondContact O-CD 3.21Å; V22-V29 PolarHBondContact O-N 3.42Å; V22-G30 PolarHBondContact N-O 3.17Å; V22-I32 HydrophobicContact CG2-CD1 3.96Å; V22-I32 HydrophobicContact CG2-CG1 4.31Å; V22-F73 HydrophobicContact CG1-CE2 4.39Å; V22-F73 HydrophobicContact CG2-CE2 4.24Å; V22-V158 HydrophobicContact CB-CG1 3.93Å; V22-V158 HydrophobicContact CG1-CG1 4.32Å; V22-V158 HydrophobicContact CG2-CG1 4.05Å; V22-L162 HydrophobicContact CG1-CD1 3.99Å; V22-L162 HydrophobicContact CG1-CD2 3.93Å; V22-L162 HydrophobicContact CG1-CG 4.14Å; V22-L162 HydrophobicContact CG2-CD1 4.42Å; V22-I177 WeakPolarHBondContact CA-O 3.04Å
23D98.3Very high97.2Very high29 Ų2936.6 Ų36.616%0.15523%0.225CC..EExtended strand (participates in β ladder)trans-112.2143.9169.5-641000110.7E27 R28 C176 I177 A179D23-E27 CarbonylContact C-O 3.53Å; D23-E27 WeakPolarHBondContact CA-O 3.45Å; D23-R28 VanDerWaalsContact OD1-CA 3.29Å; D23-R28 WeakPolarHBondContact OD1-CA 3.36Å; D23-R28 IonicContact OD1-CZ 3.45Å; D23-R28 VanDerWaalsContact OD1-CZ 3.29Å; D23-R28 IonicContact OD1-NE 2.89Å; D23-R28 PolarHBondContact OD1-NE 3.48Å; D23-R28 IonicContact OD1-NH2 2.66Å; D23-R28 PolarHBondContact OD1-NH2 2.91Å; D23-R28 IonicContact OD2-NH2 3.44Å; D23-C176 WeakPolarHBondContact O-CA 3.49Å; D23-I177 HydrophobicContact CB-CG2 3.78Å; D23-I177 PolarHBondContact N-O 3.49Å; D23-I177 PolarHBondContact O-N 3.04Å; D23-A179 HydrophobicContact CB-CB 4.11Å; D23-A179 WeakPolarHBondContact OD1-CB 3.47Å; D23-A179 WeakPolarHBondContact OD2-CB 3.49Å
24I98.3Very high97.4Very high21 Ų2131 Ų3111%0.10819%0.188CC..EExtended strand (participates in β ladder)trans-127.4119172.7-57.5-178.9000108.2V22 G26 E27 V29 I161 L162 V165 K174 L175V22-I24 HydrophobicContact CG1-CG1 4.38Å; I24-G26 PolarHBondContact O-N 3.37Å; I24-E27 PolarHBondContact N-O 3.2Å; I24-E27 PolarHBondContact O-N 3.05Å; I24-V29 HydrophobicContact CB-CG2 3.81Å; I24-V29 HydrophobicContact CD1-CB 4.47Å; I24-V29 HydrophobicContact CD1-CG1 4.43Å; I24-V29 HydrophobicContact CD1-CG2 3.82Å; I24-V29 HydrophobicContact CG1-CB 4.47Å; I24-V29 HydrophobicContact CG1-CG2 3.66Å; I24-I161 HydrophobicContact CD1-CG2 3.74Å; I24-L162 HydrophobicContact CD1-CD2 3.83Å; I24-L162 HydrophobicContact CD1-CG 4.32Å; I24-L162 HydrophobicContact CG1-CD2 4.09Å; I24-V165 HydrophobicContact CD1-CG1 3.83Å; I24-V165 HydrophobicContact CG2-CG1 4.19Å; I24-K174 HydrophobicContact CG2-CB 4.08Å; I24-K174 HydrophobicContact CG2-CD 4.33Å; I24-L175 CarbonylContact C-O 3.42Å; I24-L175 WeakPolarHBondContact CA-O 3.43Å
25G97Very high97.4Very high48 Ų4826.4 Ų26.450%0.49516%0.156SC..THydrogen-bonded Turntrans6326.1-179.100000113.7L175G25-L175 PolarHBondContact N-O 3.42Å
26G94.4Very high97.4Very high67 Ų6726 Ų2669%0.69115%0.154SC*.THydrogen-bonded Turntrans86.71.9-177.900000115I24I24-G26 PolarHBondContact O-N 3.37Å
27E92.8Very high97.4Very high112 Ų11224.6 Ų24.652%0.52315%0.145SC..EExtended strand (participates in β ladder)trans-106.6134174.6-70.2-172.2-143.500111.6D23 I24 V29 K244D23-E27 CarbonylContact C-O 3.53Å; D23-E27 WeakPolarHBondContact CA-O 3.45Å; I24-E27 PolarHBondContact N-O 3.2Å; I24-E27 PolarHBondContact O-N 3.05Å; E27-V29 PolarHBondContact O-N 2.96Å; E27-K244 IonicContact OE2-NZ 3.6Å; E27-K244 PolarHBondContact OE2-NZ 3.32Å
28R94.2Very high97.4Very high99 Ų9924.1 Ų24.137%0.37415%0.149SC..EExtended strand (participates in β ladder)trans-61.9122.6171.2177.357.447.171.313110.4D21 V22 D23D21-R28 IonicContact OD2-NH1 3.57Å; V22-R28 WeakPolarHBondContact O-CD 3.21Å; D23-R28 VanDerWaalsContact OD1-CA 3.29Å; D23-R28 WeakPolarHBondContact OD1-CA 3.36Å; D23-R28 IonicContact OD1-CZ 3.45Å; D23-R28 VanDerWaalsContact OD1-CZ 3.29Å; D23-R28 IonicContact OD1-NE 2.89Å; D23-R28 PolarHBondContact OD1-NE 3.48Å; D23-R28 IonicContact OD1-NH2 2.66Å; D23-R28 PolarHBondContact OD1-NH2 2.91Å; D23-R28 IonicContact OD2-NH2 3.44Å
29V93.9Very high97.4Very high32 Ų3227.6 Ų27.619%0.19417%0.168CC..EExtended strand (participates in β ladder)trans-101.1-32.8178.41750000112V22 I24 E27 V158 I161V22-V29 PolarHBondContact O-N 3.42Å; I24-V29 HydrophobicContact CB-CG2 3.81Å; I24-V29 HydrophobicContact CD1-CB 4.47Å; I24-V29 HydrophobicContact CD1-CG1 4.43Å; I24-V29 HydrophobicContact CD1-CG2 3.82Å; I24-V29 HydrophobicContact CG1-CB 4.47Å; I24-V29 HydrophobicContact CG1-CG2 3.66Å; E27-V29 PolarHBondContact O-N 2.96Å; V29-V158 HydrophobicContact CG1-CG1 4.22Å; V29-I161 HydrophobicContact CG1-CB 4.07Å; V29-I161 HydrophobicContact CG1-CD1 3.55Å; V29-I161 HydrophobicContact CG1-CG1 4.41Å; V29-I161 HydrophobicContact CG1-CG2 3.75Å
30G95Very high97.4Very high10 Ų1028.2 Ų28.210%0.10317%0.172CC..EExtended strand (participates in β ladder)trans156.9-169.8174.500000112.9V22V22-G30 PolarHBondContact N-O 3.17Å
31R97.9Very high97.4Very high25 Ų2528.2 Ų28.29%0.09417%0.172CC..EExtended strand (participates in β ladder)trans-110136.1178.2175.1171.8-73.1-156.8-12.3110.7F19 F20 D21 V33 G155 W190 G191 I192F19-R31 HydrophobicContact CB-CG 4.13Å; F19-R31 VanDerWaalsContact CD2-NH2 3.33Å; F20-R31 CarbonylContact O-C 3.55Å; F20-R31 VanDerWaalsContact O-CA 3.28Å; F20-R31 WeakPolarHBondContact O-CA 3.42Å; D21-R31 IonicContact OD1-CZ 3.52Å; D21-R31 VanDerWaalsContact OD1-CZ 3.3Å; D21-R31 IonicContact OD1-NE 2.73Å; D21-R31 PolarHBondContact OD1-NE 3.42Å; D21-R31 IonicContact OD1-NH2 3.76Å; D21-R31 PolarHBondContact OD1-NH2 2.95Å; D21-R31 IonicContact OD2-NH2 3.6Å; D21-R31 PolarHBondContact OD2-NH2 3.16Å; D21-R31 VanDerWaalsContact OD2-NH2 3.12Å; R31-V33 HydrophobicContact CG-CG2 3.92Å; R31-G155 WeakPolarHBondContact O-CA 3.29Å; R31-W190 VanDerWaalsContact CD-O 3.29Å; R31-W190 WeakPolarHBondContact CD-O 3.32Å; R31-W190 PolarHBondContact NH1-O 3.12Å; R31-G191 WeakPolarHBondContact CD-O 3.41Å; R31-G191 PolarHBondContact NE-O 3.43Å; R31-I192 HydrophobicContact CG-CG2 4.31Å
32I98.6Very high97.4Very high0 Ų031.2 Ų31.20%019%0.192CC..EExtended strand (participates in β ladder)trans-104.2129.5164.8-57.3171.9000107F19 F20 V22 L34 V152 V158 L162F19-I32 CarbonylContact C-O 3.49Å; F19-I32 WeakPolarHBondContact CA-O 3.48Å; F20-I32 HydrophobicContact CB-CB 4.48Å; F20-I32 PolarHBondContact N-O 2.94Å; F20-I32 PolarHBondContact O-N 3.38Å; V22-I32 HydrophobicContact CG2-CD1 3.96Å; V22-I32 HydrophobicContact CG2-CG1 4.31Å; I32-L34 HydrophobicContact CG2-CD2 4.11Å; I32-L34 HydrophobicContact CG2-CG 4.09Å; I32-V152 HydrophobicContact CG2-CG1 4.04Å; I32-V152 HydrophobicContact CG2-CG2 4.05Å; I32-V158 HydrophobicContact CD1-CB 4.31Å; I32-V158 HydrophobicContact CD1-CG1 4.03Å; I32-V158 HydrophobicContact CG1-CB 3.78Å; I32-V158 HydrophobicContact CG1-CG1 3.81Å; I32-L162 HydrophobicContact CD1-CD1 4.2Å
33V98.7Very high97.4Very high0 Ų036 Ų360%021%0.213CC..EExtended strand (participates in β ladder)trans-112.1130171.2-171.10000108.8V18 F19 R31 I153 K154 L184 W190 I192V18-V33 CarbonylContact O-C 3.52Å; V18-V33 WeakPolarHBondContact O-CA 3.38Å; V18-V33 WeakPolarHBondContact O-CG1 3.44Å; F19-V33 HydrophobicContact CB-CG2 4.37Å; R31-V33 HydrophobicContact CG-CG2 3.92Å; V33-I153 HydrophobicContact CB-CG1 4.05Å; V33-I153 HydrophobicContact CG1-CD1 3.88Å; V33-I153 HydrophobicContact CG1-CG1 3.82Å; V33-I153 WeakPolarHBondContact O-CG1 3.41Å; V33-I153 PolarHBondContact O-N 2.91Å; V33-K154 HydrophobicContact CB-CB 3.93Å; V33-K154 HydrophobicContact CB-CG 4.43Å; V33-K154 HydrophobicContact CG2-CB 3.96Å; V33-K154 PolarHBondContact N-O 2.96Å; V33-K154 PolarHBondContact O-N 3.32Å; V33-L184 HydrophobicContact CG1-CD1 3.76Å; V33-L184 HydrophobicContact CG2-CD1 4.29Å; V33-W190 HydrophobicContact CG1-CE3 4.1Å; V33-W190 HydrophobicContact CG1-CZ3 3.93Å; V33-W190 HydrophobicContact CG2-CE3 4.46Å; V33-I192 HydrophobicContact CG2-CG2 3.9Å
34L98.9Very high97.5Very high0 Ų034.6 Ų34.60%021%0.205CC..EExtended strand (participates in β ladder)trans-117.2131.9-174.5-61.5156.4000109.2R17 V18 F20 I32 F48 L118 I134 Q151 V152R17-L34 CarbonylContact C-O 3.59Å; R17-L34 WeakPolarHBondContact CA-O 3.36Å; V18-L34 HydrophobicContact CG2-CB 3.88Å; V18-L34 HydrophobicContact CG2-CD1 4.29Å; V18-L34 PolarHBondContact N-O 3.42Å; V18-L34 PolarHBondContact O-N 2.92Å; F20-L34 HydrophobicContact CD2-CD1 3.9Å; F20-L34 HydrophobicContact CE2-CD1 3.65Å; F20-L34 HydrophobicContact CZ-CD1 4.25Å; I32-L34 HydrophobicContact CG2-CD2 4.11Å; I32-L34 HydrophobicContact CG2-CG 4.09Å; L34-F48 HydrophobicContact CD1-CE1 3.94Å; L34-F48 HydrophobicContact CD1-CZ 4.15Å; L34-L118 HydrophobicContact CD1-CD2 4.22Å; L34-L118 HydrophobicContact CD2-CB 4.44Å; L34-L118 HydrophobicContact CD2-CD2 4.28Å; L34-I134 HydrophobicContact CD2-CD1 4.15Å; L34-Q151 CarbonylContact C-O 3.5Å; L34-Q151 VanDerWaalsContact CA-O 3.29Å; L34-Q151 WeakPolarHBondContact CA-O 3.47Å; L34-V152 HydrophobicContact CD2-CB 4.43Å; L34-V152 HydrophobicContact CD2-CG2 3.65Å
35E98.8Very high97.5Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-83.6138.4159.8177.2-172.3-171.100108.8P10 S11 N12 N15 F37 G150 Q151 I153P10-E35 VanDerWaalsContact CA-OE2 3.29Å; P10-E35 WeakPolarHBondContact CA-OE2 3.47Å; P10-E35 HydrophobicContact CB-CG 4.26Å; S11-E35 WeakPolarHBondContact CA-OE1 3.28Å; S11-E35 WeakPolarHBondContact CB-OE1 3.48Å; S11-E35 PolarHBondContact N-OE1 2.93Å; S11-E35 PolarHBondContact N-OE2 3.31Å; S11-E35 PolarHBondContact OG-OE1 3.25Å; N12-E35 PolarHBondContact N-OE1 3.03Å; N12-E35 VanDerWaalsContact N-OE1 3.14Å; N15-E35 HydrophobicContact CB-CG 3.83Å; N15-E35 PolarHBondContact ND2-OE1 2.93Å; E35-F37 HydrophobicContact CG-CD1 4.27Å; E35-F37 HydrophobicContact CG-CE1 4.29Å; E35-G150 CarbonylContact O-C 3.56Å; E35-G150 WeakPolarHBondContact O-CA 3.45Å; E35-Q151 HydrophobicContact CB-CG 4.13Å; E35-Q151 PolarHBondContact N-O 3.47Å; E35-Q151 PolarHBondContact O-N 3.33Å; E35-Q151 PolarHBondContact OE2-NE2 2.87Å; E35-I153 HydrophobicContact CB-CD1 4.38Å; E35-I153 HydrophobicContact CB-CG2 3.7Å
36L98.9Very high97.6Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-107.3126.6171.8-50.6-179.1000109.3N15 P16 V18 A38 A45 F48 R49 L118 F149N15-L36 WeakPolarHBondContact CB-O 3.49Å; N15-L36 PolarHBondContact OD1-O 3.07Å; P16-L36 HydrophobicContact CB-CB 4.46Å; P16-L36 HydrophobicContact CB-CD1 4.39Å; P16-L36 PolarHBondContact O-N 3.36Å; V18-L36 HydrophobicContact CG1-CD1 3.86Å; V18-L36 HydrophobicContact CG2-CD1 4.07Å; V18-L36 HydrophobicContact CG2-CD2 3.99Å; V18-L36 HydrophobicContact CG2-CG 4.09Å; L36-A38 PolarHBondContact O-N 3.11Å; L36-A45 HydrophobicContact CB-CB 3.89Å; L36-A45 WeakPolarHBondContact CD1-O 3.46Å; L36-F48 HydrophobicContact CD1-CB 4.33Å; L36-F48 HydrophobicContact CD1-CD1 4.08Å; L36-F48 HydrophobicContact CD2-CD1 3.64Å; L36-F48 HydrophobicContact CD2-CE1 4.18Å; L36-F48 HydrophobicContact CD2-CG 4.33Å; L36-R49 HydrophobicContact CD1-CB 3.77Å; L36-L118 HydrophobicContact CD2-CD2 3.74Å; L36-F149 CarbonylContact C-O 3.6Å; L36-F149 WeakPolarHBondContact CA-O 3.22Å; L36-F149 HydrophobicContact CD2-CD2 4.27Å; L36-F149 HydrophobicContact CD2-CE2 4.13Å
37F98.8Very high97.8Very high0 Ų031 Ų310%016%0.157CC..  trans-76.560.5-176.2-56.2-39.3000112.2P6 E35 D39 I40 V41 Y110 V148 F149 G150 Q151P6-F37 HydrophobicContact CG-CE1 4.09Å; P6-F37 HydrophobicContact CG-CZ 4.08Å; E35-F37 HydrophobicContact CG-CD1 4.27Å; E35-F37 HydrophobicContact CG-CE1 4.29Å; F37-D39 PolarHBondContact O-N 3.47Å; F37-I40 HydrophobicContact CB-CB 4.36Å; F37-I40 PolarHBondContact O-N 3.04Å; F37-V41 HydrophobicContact CB-CG2 4.16Å; F37-V41 WeakPolarHBondContact O-CG2 3.41Å; F37-V41 PolarHBondContact O-N 3.49Å; F37-Y110 HydrophobicContact CB-CE2 4.43Å; F37-Y110 AromaticContact CD2-CD2 3.69Å; F37-Y110 HydrophobicContact CD2-CD2 3.69Å; F37-Y110 AromaticContact CD2-CE2 3.75Å; F37-Y110 HydrophobicContact CD2-CE2 3.75Å; F37-Y110 AromaticContact CE2-CD2 3.93Å; F37-Y110 HydrophobicContact CE2-CD2 3.93Å; F37-Y110 HydrophobicContact CE2-CE2 4.13Å; F37-Y110 HydrophobicContact CG-CD2 4.44Å; F37-Y110 HydrophobicContact CG-CE2 4.06Å; F37-V148 HydrophobicContact CE2-CG1 4.2Å; F37-F149 VanDerWaalsContact CD2-C 3.42Å; F37-F149 PolarHBondContact N-O 3.29Å; F37-G150 VanDerWaalsContact CD2-N 3.3Å; F37-G150 VanDerWaalsContact CE2-C 3.45Å; F37-G150 VanDerWaalsContact CE2-CA 3.47Å; F37-G150 WeakPolarHBondContact CE2-O 3.41Å; F37-G150 VanDerWaalsContact CZ-C 3.5Å; F37-Q151 HydrophobicContact CE1-CB 4.48Å; F37-Q151 HydrophobicContact CE1-CG 3.86Å; F37-Q151 HydrophobicContact CZ-CB 3.88Å; F37-Q151 HydrophobicContact CZ-CG 3.75Å
38A98.7Very high98.1Very high30 Ų3025.7 Ų25.725%0.24813%0.132CC..THydrogen-bonded Turntrans-64.9-23.9-176.800000113N15 P16 L36 I40 P42 A45N15-A38 PolarHBondContact OD1-N 2.95Å; N15-A38 VanDerWaalsContact OD1-N 3.13Å; P16-A38 VanDerWaalsContact CD-CB 3.48Å; P16-A38 HydrophobicContact CG-CB 4.03Å; L36-A38 PolarHBondContact O-N 3.11Å; A38-I40 VanDerWaalsContact C-N 3.26Å; A38-I40 PolarHBondContact O-N 3.35Å; A38-P42 WeakPolarHBondContact O-CA 3.48Å; A38-P42 WeakPolarHBondContact O-CB 3.35Å; A38-P42 WeakPolarHBondContact O-CD 3.47Å; A38-A45 HydrophobicContact CB-CB 3.83Å
39D98.5Very high98.3Very high72 Ų7222.1 Ų22.139%0.38512%0.119SC..THydrogen-bonded Turntrans-68.8-20.7171.761-27.3000114.1N12 N15 F37N12-D39 PolarHBondContact ND2-OD2 3.01Å; N15-D39 PolarHBondContact ND2-OD1 3.34Å; N15-D39 PolarHBondContact OD1-N 3.04Å; N15-D39 VanDerWaalsContact OD1-N 3.16Å; N15-D39 PolarHBondContact OD1-OD1 3.38Å; N15-D39 VanDerWaalsContact OD1-OD1 3.14Å; F37-D39 PolarHBondContact O-N 3.47Å
40I98.6Very high98.6Very high42 Ų4220.6 Ų20.622%0.21511%0.11CC..THydrogen-bonded Turntrans-113.2-40.3-177.7-59.1-61.9000112.8F37 A38 N107 H109 Y110F37-I40 HydrophobicContact CB-CB 4.36Å; F37-I40 PolarHBondContact O-N 3.04Å; A38-I40 VanDerWaalsContact C-N 3.26Å; A38-I40 PolarHBondContact O-N 3.35Å; I40-N107 PolarHBondContact O-ND2 3.06Å; I40-H109 HydrophobicContact CG2-CB 3.66Å; I40-Y110 HydrophobicContact CB-CE2 4.25Å; I40-Y110 HydrophobicContact CG1-CE2 3.88Å; I40-Y110 HydrophobicContact CG2-CD2 4.48Å; I40-Y110 HydrophobicContact CG2-CE2 4.15Å
41V98.6Very high98.7Very high0 Ų020.1 Ų20.10%011%0.105CC..  trans-132.365.5-178.2-76.30000110.4F37 K43 T44 A45 E106 N107 V147 F149F37-V41 HydrophobicContact CB-CG2 4.16Å; F37-V41 WeakPolarHBondContact O-CG2 3.41Å; F37-V41 PolarHBondContact O-N 3.49Å; V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 3Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-A45 VanDerWaalsContact O-CB 3.28Å; V41-A45 WeakPolarHBondContact O-CB 3.37Å; V41-A45 PolarHBondContact O-N 2.9Å; V41-E106 VanDerWaalsContact CA-OE2 3.31Å; V41-E106 WeakPolarHBondContact CA-OE2 3.24Å; V41-E106 HydrophobicContact CB-CG 4.5Å; V41-E106 WeakPolarHBondContact CB-OE2 3.32Å; V41-E106 HydrophobicContact CG1-CB 4.36Å; V41-E106 HydrophobicContact CG1-CG 4.28Å; V41-N107 VanDerWaalsContact CG1-ND2 3.32Å; V41-N107 WeakPolarHBondContact CG1-ND2 3.26Å; V41-N107 WeakPolarHBondContact CG1-OD1 3.28Å; V41-V147 HydrophobicContact CG1-CG1 3.98Å; V41-F149 HydrophobicContact CG2-CB 3.53Å
42P98.8Very high98.8Very high69 Ų6919 Ų1945%0.44810%0.1SC..Hα-helixtrans-57.5-37.7-173.520.6-32.8000113.8A38 E46 E106A38-P42 WeakPolarHBondContact O-CA 3.48Å; A38-P42 WeakPolarHBondContact O-CB 3.35Å; A38-P42 WeakPolarHBondContact O-CD 3.47Å; P42-E46 WeakPolarHBondContact O-CB 3.43Å; P42-E46 PolarHBondContact O-N 3.5Å; P42-E106 WeakPolarHBondContact CD-OE1 3.48Å; P42-E106 WeakPolarHBondContact CG-OE1 3.27Å
43K98.8Very high98.8Very high99 Ų9921 Ų2143%0.4311%0.113SC..Hα-helixtrans-70.8-43.5179.5-63.2178.567.4-176.20111.3V41 E46 N47 Y99 E106V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 3Å; K43-E46 PolarHBondContact O-N 3.28Å; K43-N47 WeakPolarHBondContact O-CB 3.47Å; K43-N47 PolarHBondContact O-N 3.35Å; K43-Y99 HydrophobicContact CB-CE2 4.27Å; K43-Y99 WeakPolarHBondContact O-CE2 3.46Å; K43-Y99 PolarHBondContact O-OH 3.25Å; K43-E106 WeakPolarHBondContact CB-OE1 3.3Å; K43-E106 PolarHBondContact N-OE1 2.66Å; K43-E106 PolarHBondContact N-OE2 2.9Å
44T98.9Very high98.8Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-66.6-42.4179.7-48.10000110.6V41 F48 F103 E106 M120 V147 F149V41-T44 PolarHBondContact O-N 3.41Å; T44-F48 PolarHBondContact O-N 3.26Å; T44-F103 HydrophobicContact CG2-CE2 4.47Å; T44-F103 HydrophobicContact CG2-CZ 4.28Å; T44-E106 WeakPolarHBondContact CB-OE2 2.93Å; T44-E106 PolarHBondContact N-OE2 3.39Å; T44-E106 PolarHBondContact OG1-OE2 3.39Å; T44-M120 HydrophobicContact CG2-CG 3.59Å; T44-M120 HydrophobicContact CG2-SD 3.98Å; T44-V147 HydrophobicContact CG2-CG1 4.08Å; T44-F149 HydrophobicContact CG2-CB 3.55Å; T44-F149 HydrophobicContact CG2-CD1 3.72Å; T44-F149 HydrophobicContact CG2-CD2 4.12Å; T44-F149 HydrophobicContact CG2-CE1 4.41Å; T44-F149 HydrophobicContact CG2-CG 3.54Å
45A98.9Very high98.8Very high0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-62.9-47.717500000112.2L36 A38 V41 N47 F48 R49L36-A45 HydrophobicContact CB-CB 3.89Å; L36-A45 WeakPolarHBondContact CD1-O 3.46Å; A38-A45 HydrophobicContact CB-CB 3.83Å; V41-A45 VanDerWaalsContact O-CB 3.28Å; V41-A45 WeakPolarHBondContact O-CB 3.37Å; V41-A45 PolarHBondContact O-N 2.9Å; A45-N47 PolarHBondContact O-N 3.46Å; A45-F48 PolarHBondContact O-N 3.36Å; A45-R49 WeakPolarHBondContact O-CB 3.31Å; A45-R49 PolarHBondContact O-N 3.13Å
46E98.9Very high98.8Very high60 Ų6031.1 Ų31.128%0.2816%0.164SC..Hα-helixtrans-64.2-38.9179.617455.9-163.100112.2P42 K43 F48 R49 A50 K56 I98P42-E46 WeakPolarHBondContact O-CB 3.43Å; P42-E46 PolarHBondContact O-N 3.5Å; K43-E46 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact C-N 3.35Å; E46-F48 PolarHBondContact O-N 3.06Å; E46-R49 PolarHBondContact O-N 2.86Å; E46-R49 IonicContact OE1-CZ 2.8Å; E46-R49 IonicContact OE1-NE 2.94Å; E46-R49 IonicContact OE1-NH2 2.72Å; E46-R49 PolarHBondContact OE1-NH2 3.26Å; E46-R49 IonicContact OE2-CZ 3.12Å; E46-R49 IonicContact OE2-NE 2.95Å; E46-R49 PolarHBondContact OE2-NE 3.1Å; E46-R49 IonicContact OE2-NH2 3.03Å; E46-R49 PolarHBondContact OE2-NH2 2.91Å; E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 3.14Å; E46-K56 IonicContact OE1-NZ 2.93Å; E46-I98 HydrophobicContact CG-CD1 4.08Å
47N98.9Very high98.8Very high1 Ų132.9 Ų32.91%0.00518%0.182CC..Hα-helixtrans-54.7-52172.1176.763.6000111.4K43 A45 L51 S97 I98 Y99 F103 G129K43-N47 WeakPolarHBondContact O-CB 3.47Å; K43-N47 PolarHBondContact O-N 3.35Å; A45-N47 PolarHBondContact O-N 3.46Å; N47-L51 WeakPolarHBondContact O-CB 3.38Å; N47-L51 VanDerWaalsContact O-CG 3.23Å; N47-L51 WeakPolarHBondContact O-CG 3.44Å; N47-L51 PolarHBondContact O-N 2.91Å; N47-S97 WeakPolarHBondContact OD1-CA 3.29Å; N47-S97 WeakPolarHBondContact OD1-CB 3.39Å; N47-I98 HydrophobicContact CB-CD1 4.49Å; N47-I98 HydrophobicContact CB-CG1 4.22Å; N47-I98 PolarHBondContact OD1-N 2.85Å; N47-Y99 HydrophobicContact CB-CE2 3.89Å; N47-F103 HydrophobicContact CB-CE1 4.48Å; N47-F103 HydrophobicContact CB-CZ 4.43Å; N47-G129 PolarHBondContact ND2-O 3.12Å; N47-G129 VanDerWaalsContact ND2-O 3.11Å
48F98.9Very high98.8Very high1 Ų138 Ų380%0.00421%0.208CC..Hα-helixtrans-67.7-41.8-178.1-163.5-91.8000112.6V18 F20 L34 L36 T44 A45 E46 A50 L51 C52 F68 L118 F132 F149V18-F48 HydrophobicContact CG2-CD1 4.07Å; V18-F48 HydrophobicContact CG2-CE1 3.9Å; F20-F48 HydrophobicContact CE1-CE1 4.49Å; F20-F48 HydrophobicContact CE1-CZ 4.47Å; F20-F48 HydrophobicContact CE2-CE1 4.33Å; F20-F48 AromaticContact CE2-CZ 3.8Å; F20-F48 HydrophobicContact CE2-CZ 3.8Å; F20-F48 AromaticContact CZ-CE1 3.74Å; F20-F48 HydrophobicContact CZ-CE1 3.74Å; F20-F48 HydrophobicContact CZ-CE2 4.37Å; F20-F48 AromaticContact CZ-CZ 3.38Å; F20-F48 HydrophobicContact CZ-CZ 3.38Å; L34-F48 HydrophobicContact CD1-CE1 3.94Å; L34-F48 HydrophobicContact CD1-CZ 4.15Å; L36-F48 HydrophobicContact CD1-CB 4.33Å; L36-F48 HydrophobicContact CD1-CD1 4.08Å; L36-F48 HydrophobicContact CD2-CD1 3.64Å; L36-F48 HydrophobicContact CD2-CE1 4.18Å; L36-F48 HydrophobicContact CD2-CG 4.33Å; T44-F48 PolarHBondContact O-N 3.26Å; A45-F48 PolarHBondContact O-N 3.36Å; E46-F48 VanDerWaalsContact C-N 3.35Å; E46-F48 PolarHBondContact O-N 3.06Å; F48-A50 PolarHBondContact O-N 3.5Å; F48-L51 PolarHBondContact O-N 3.43Å; F48-C52 PolarHBondContact O-N 3.2Å; F48-C52 PolarHBondContact O-SG 2.98Å; F48-C52 VanDerWaalsContact O-SG 3.36Å; F48-F68 HydrophobicContact CD1-CE2 4.34Å; F48-F68 AromaticContact CD2-CE2 3.63Å; F48-F68 HydrophobicContact CD2-CE2 3.63Å; F48-F68 AromaticContact CD2-CZ 3.86Å; F48-F68 HydrophobicContact CD2-CZ 3.86Å; F48-F68 HydrophobicContact CE1-CE2 4.29Å; F48-F68 AromaticContact CE2-CE2 3.59Å; F48-F68 HydrophobicContact CE2-CE2 3.59Å; F48-F68 AromaticContact CE2-CZ 3.83Å; F48-F68 HydrophobicContact CE2-CZ 3.83Å; F48-F68 HydrophobicContact CG-CE2 4.05Å; F48-F68 AromaticContact CZ-CE2 3.95Å; F48-F68 HydrophobicContact CZ-CE2 3.95Å; F48-L118 HydrophobicContact CD1-CD2 4.23Å; F48-L118 HydrophobicContact CE1-CD2 3.85Å; F48-L118 HydrophobicContact CE2-CD1 4.23Å; F48-L118 HydrophobicContact CE2-CD2 4.19Å; F48-L118 HydrophobicContact CZ-CD1 4.05Å; F48-L118 HydrophobicContact CZ-CD2 3.8Å; F48-F132 HydrophobicContact CD2-CD1 4.5Å; F48-F132 HydrophobicContact CE2-CB 3.95Å; F48-F132 AromaticContact CE2-CD1 3.5Å; F48-F132 HydrophobicContact CE2-CD1 3.5Å; F48-F132 VanDerWaalsContact CE2-CD1 3.5Å; F48-F132 HydrophobicContact CE2-CD2 4.16Å; F48-F132 AromaticContact CE2-CE1 3.94Å; F48-F132 HydrophobicContact CE2-CE1 3.94Å; F48-F132 AromaticContact CE2-CG 3.6Å; F48-F132 HydrophobicContact CE2-CG 3.6Å; F48-F132 HydrophobicContact CE2-CZ 4.45Å; F48-F132 HydrophobicContact CZ-CD1 4.18Å; F48-F132 HydrophobicContact CZ-CD2 4.39Å; F48-F132 HydrophobicContact CZ-CE1 4.22Å; F48-F132 HydrophobicContact CZ-CE2 4.44Å; F48-F132 HydrophobicContact CZ-CG 4.25Å; F48-F132 HydrophobicContact CZ-CZ 4.35Å; F48-F149 HydrophobicContact CB-CD2 4.34Å; F48-F149 HydrophobicContact CB-CE2 3.53Å; F48-F149 HydrophobicContact CB-CZ 4.2Å; F48-F149 HydrophobicContact CD1-CE2 4.1Å; F48-F149 AromaticContact CD2-CE2 3.51Å; F48-F149 HydrophobicContact CD2-CE2 3.51Å; F48-F149 AromaticContact CD2-CZ 3.4Å; F48-F149 HydrophobicContact CD2-CZ 3.4Å; F48-F149 HydrophobicContact CE2-CE2 4.13Å; F48-F149 AromaticContact CE2-CZ 3.79Å; F48-F149 HydrophobicContact CE2-CZ 3.79Å; F48-F149 AromaticContact CG-CE2 3.45Å; F48-F149 HydrophobicContact CG-CE2 3.45Å; F48-F149 VanDerWaalsContact CG-CE2 3.45Å; F48-F149 AromaticContact CG-CZ 3.88Å; F48-F149 HydrophobicContact CG-CZ 3.88Å
49R98.9Very high98.7Very high24 Ų2436.5 Ų36.59%0.09120%0.196CC..Hα-helixtrans-57.7-49.8177.3-171.1-157.665.471.96.7111.2P16 V18 L36 A45 E46 L51 C52 T53 E55 E183P16-R49 HydrophobicContact CB-CG 4.44Å; V18-R49 HydrophobicContact CG1-CB 4.49Å; V18-R49 HydrophobicContact CG1-CG 4.14Å; L36-R49 HydrophobicContact CD1-CB 3.77Å; A45-R49 WeakPolarHBondContact O-CB 3.31Å; A45-R49 PolarHBondContact O-N 3.13Å; E46-R49 PolarHBondContact O-N 2.86Å; E46-R49 IonicContact OE1-CZ 2.8Å; E46-R49 IonicContact OE1-NE 2.94Å; E46-R49 IonicContact OE1-NH2 2.72Å; E46-R49 PolarHBondContact OE1-NH2 3.26Å; E46-R49 IonicContact OE2-CZ 3.12Å; E46-R49 IonicContact OE2-NE 2.95Å; E46-R49 PolarHBondContact OE2-NE 3.1Å; E46-R49 IonicContact OE2-NH2 3.03Å; E46-R49 PolarHBondContact OE2-NH2 2.91Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.39Å; R49-C52 WeakPolarHBondContact O-CB 3.3Å; R49-C52 PolarHBondContact O-N 3.28Å; R49-T53 PolarHBondContact O-N 2.78Å; R49-T53 VanDerWaalsContact O-N 3.13Å; R49-E55 IonicContact CZ-OE1 3.17Å; R49-E55 IonicContact CZ-OE2 3.3Å; R49-E55 IonicContact NH1-OE1 3.19Å; R49-E55 IonicContact NH1-OE2 3.43Å; R49-E55 PolarHBondContact NH1-OE2 3.06Å; R49-E55 IonicContact NH2-OE1 2.77Å; R49-E55 PolarHBondContact NH2-OE1 3.01Å; R49-E55 IonicContact NH2-OE2 2.7Å; R49-E55 PolarHBondContact NH2-OE2 3.34Å; R49-E55 VanDerWaalsContact NH2-OE2 3.17Å; R49-E183 WeakPolarHBondContact CD-OE2 3.4Å; R49-E183 HydrophobicContact CG-CG 4.23Å; R49-E183 IonicContact CZ-OE2 3.83Å; R49-E183 IonicContact NH1-OE2 2.74Å; R49-E183 PolarHBondContact NH1-OE2 3.33Å
50A98.9Very high98.7Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-65.6-34.6179.600000112.6E46 F48 C52 T53 G54 E55 K56 I98E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 3.14Å; F48-A50 PolarHBondContact O-N 3.5Å; A50-C52 VanDerWaalsContact C-N 3.3Å; A50-T53 PolarHBondContact O-N 2.99Å; A50-T53 PolarHBondContact O-OG1 2.91Å; A50-G54 PolarHBondContact O-N 3.3Å; A50-E55 HydrophobicContact CB-CG 4.23Å; A50-K56 HydrophobicContact CB-CG 3.93Å; A50-I98 HydrophobicContact CB-CD1 3.95Å; A50-I98 HydrophobicContact CB-CG2 3.93Å
51L98.9Very high98.6Very high0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-69.9-24.5172-70.5168.9000112.6N47 F48 R49 L66 H67 F68 F87 I98N47-L51 WeakPolarHBondContact O-CB 3.38Å; N47-L51 VanDerWaalsContact O-CG 3.23Å; N47-L51 WeakPolarHBondContact O-CG 3.44Å; N47-L51 PolarHBondContact O-N 2.91Å; F48-L51 PolarHBondContact O-N 3.43Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.39Å; L51-L66 HydrophobicContact CD2-CB 3.91Å; L51-L66 HydrophobicContact CD2-CD2 4.16Å; L51-H67 CarbonylContact O-C 3.42Å; L51-H67 VanDerWaalsContact O-CA 3.3Å; L51-H67 WeakPolarHBondContact O-CA 3.48Å; L51-H67 PolarHBondContact O-CD2 3.12Å; L51-F68 HydrophobicContact CB-CD1 4.47Å; L51-F68 HydrophobicContact CB-CD2 3.71Å; L51-F68 HydrophobicContact CB-CE1 4.15Å; L51-F68 HydrophobicContact CB-CE2 3.34Å; L51-F68 HydrophobicContact CB-CG 4.27Å; L51-F68 HydrophobicContact CB-CZ 3.58Å; L51-F68 HydrophobicContact CD1-CE1 4.13Å; L51-F68 HydrophobicContact CD1-CE2 4.2Å; L51-F68 HydrophobicContact CD1-CZ 3.62Å; L51-F68 HydrophobicContact CG-CE2 4.41Å; L51-F68 HydrophobicContact CG-CZ 4.21Å; L51-F68 WeakPolarHBondContact O-CD2 3.4Å; L51-F68 PolarHBondContact O-N 3.06Å; L51-F87 HydrophobicContact CD2-CE1 4.05Å; L51-I98 HydrophobicContact CD2-CG2 4.3Å; L51-I98 HydrophobicContact CG-CG2 4.12Å
52C98.9Very high98.6Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-74.1-33.4169.8-70.40000112.6V18 F48 R49 A50 H67 C181 G182V18-C52 HydrophobicContact CB-CB 4.16Å; V18-C52 HydrophobicContact CG1-CB 4.12Å; F48-C52 PolarHBondContact O-N 3.2Å; F48-C52 PolarHBondContact O-SG 2.98Å; F48-C52 VanDerWaalsContact O-SG 3.36Å; R49-C52 WeakPolarHBondContact O-CB 3.3Å; R49-C52 PolarHBondContact O-N 3.28Å; A50-C52 VanDerWaalsContact C-N 3.3Å; C52-H67 PolarHBondContact O-NE2 3.34Å; C52-C181 CarbonylContact O-C 3.55Å; C52-C181 PolarHBondContact O-SG 2.81Å; C52-G182 WeakPolarHBondContact O-CA 3.47Å; C52-G182 PolarHBondContact O-N 3.02Å
53T98.8Very high98.6Very high43 Ų4341.2 Ų41.226%0.26424%0.241SC..Hα-helixtrans-89.6-24.7-178.7630000113.5R49 A50 E55 E183R49-T53 PolarHBondContact O-N 2.78Å; R49-T53 VanDerWaalsContact O-N 3.13Å; A50-T53 PolarHBondContact O-N 2.99Å; A50-T53 PolarHBondContact O-OG1 2.91Å; T53-E55 PolarHBondContact O-N 3.39Å; T53-E55 WeakPolarHBondContact OG1-CB 3.47Å; T53-E55 VanDerWaalsContact OG1-CG 3.29Å; T53-E55 WeakPolarHBondContact OG1-CG 3.49Å; T53-E55 PolarHBondContact OG1-N 3.44Å; T53-E55 PolarHBondContact OG1-OE2 3.46Å; T53-E183 HydrophobicContact CG2-CB 3.88Å
54G98.7Very high98.6Very high19 Ų1941.6 Ų41.620%0.19624%0.242CC..THydrogen-bonded Turntrans74.59.7-173.900000114.2A50 K56 G57 L66A50-G54 PolarHBondContact O-N 3.3Å; G54-K56 PolarHBondContact O-N 3Å; G54-K56 VanDerWaalsContact O-N 3.13Å; G54-G57 PolarHBondContact O-N 3.24Å; G54-L66 WeakPolarHBondContact CA-O 3.43Å
55E98.7Very high98.6Very high97 Ų9745 Ų4545%0.45327%0.265SS..THydrogen-bonded Turntrans-67.2-17.5-168.169.4-174.2-130.800114.5R49 A50 T53 G57R49-E55 IonicContact CZ-OE1 3.17Å; R49-E55 IonicContact CZ-OE2 3.3Å; R49-E55 IonicContact NH1-OE1 3.19Å; R49-E55 IonicContact NH1-OE2 3.43Å; R49-E55 PolarHBondContact NH1-OE2 3.06Å; R49-E55 IonicContact NH2-OE1 2.77Å; R49-E55 PolarHBondContact NH2-OE1 3.01Å; R49-E55 IonicContact NH2-OE2 2.7Å; R49-E55 PolarHBondContact NH2-OE2 3.34Å; R49-E55 VanDerWaalsContact NH2-OE2 3.17Å; A50-E55 HydrophobicContact CB-CG 4.23Å; T53-E55 PolarHBondContact O-N 3.39Å; T53-E55 WeakPolarHBondContact OG1-CB 3.47Å; T53-E55 VanDerWaalsContact OG1-CG 3.29Å; T53-E55 WeakPolarHBondContact OG1-CG 3.49Å; T53-E55 PolarHBondContact OG1-N 3.44Å; T53-E55 PolarHBondContact OG1-OE2 3.46Å; E55-G57 VanDerWaalsContact C-N 3.3Å
56K98.6Very high98.6Very high97 Ų9745.4 Ų45.442%0.42227%0.267SS..THydrogen-bonded Turntrans-87.23.8-178.4-55.8-60.9-177.1-162.80113.5E46 A50 G54 L66 I98E46-K56 IonicContact OE1-NZ 2.93Å; A50-K56 HydrophobicContact CB-CG 3.93Å; G54-K56 PolarHBondContact O-N 3Å; G54-K56 VanDerWaalsContact O-N 3.13Å; K56-L66 HydrophobicContact CB-CB 4.43Å; K56-L66 HydrophobicContact CB-CD1 3.72Å; K56-I98 HydrophobicContact CB-CG2 4.38Å; K56-I98 HydrophobicContact CG-CB 4.14Å; K56-I98 HydrophobicContact CG-CG2 3.94Å
57G98.3Very high98.6Very high36 Ų3644.8 Ų44.837%0.37126%0.264SS..  trans74.4-133.817200000113.3G54 E55 P65 L66G54-G57 PolarHBondContact O-N 3.24Å; E55-G57 VanDerWaalsContact C-N 3.3Å; G57-P65 CarbonylContact O-C 3.34Å; G57-P65 WeakPolarHBondContact O-CA 3.49Å; G57-L66 PolarHBondContact O-N 3.01Å
58I98.6Very high98.6Very high107 Ų10744.7 Ų44.755%0.54926%0.263SS..BIsolated β-bridgetrans-94.5130.1-174.7-55.4-57.1000110.1P65I58-P65 HydrophobicContact CD1-CB 4.29Å; I58-P65 HydrophobicContact CD1-CG 3.9Å
59G98.4Very high98.6Very high0 Ų049.5 Ų49.50%028%0.284CS..  trans-69.8129.9176.500000111.3T61 G63 K64 E96G59-T61 VanDerWaalsContact C-N 3.34Å; G59-T61 PolarHBondContact O-N 2.85Å; G59-G63 VanDerWaalsContact O-CA 3.32Å; G59-G63 WeakPolarHBondContact O-CA 3.43Å; G59-G63 PolarHBondContact O-N 3.37Å; G59-K64 PolarHBondContact N-O 3.16Å; G59-E96 WeakPolarHBondContact CA-OE1 3.29Å
60P97.5Very high98.5Very high111 Ų11149.8 Ų49.872%0.72130%0.295SS*.THydrogen-bonded Turntrans-70.6-26.9-172.427.2-35.4000113.5E96P60-E96 VanDerWaalsContact CD-OE2 3.3Å; P60-E96 WeakPolarHBondContact CD-OE2 3.45Å
61T97.8Very high98.5Very high80 Ų8049.9 Ų49.949%0.49130%0.295SS..THydrogen-bonded Turntrans-91.4-33.6-176.666.30000112.7G59 E96 E101G59-T61 VanDerWaalsContact C-N 3.34Å; G59-T61 PolarHBondContact O-N 2.85Å; T61-E96 WeakPolarHBondContact CB-OE2 3.45Å; T61-E96 PolarHBondContact N-OE1 3.27Å; T61-E96 PolarHBondContact N-OE2 3.23Å; T61-E96 WeakPolarHBondContact OG1-CB 3.33Å; T61-E96 PolarHBondContact OG1-OE1 3.06Å; T61-E96 PolarHBondContact OG1-OE2 2.76Å; T61-E101 HydrophobicContact CG2-CB 4.15Å
62T97.8Very high98.5Very high38 Ų3850.2 Ų50.223%0.23330%0.297CS..THydrogen-bonded Turntrans-94.7-22.9-179.365.10000113.1K64 F87 E96T62-K64 PolarHBondContact O-N 2.97Å; T62-K64 PolarHBondContact OG1-N 3.34Å; T62-F87 HydrophobicContact CG2-CE2 4.36Å; T62-E96 VanDerWaalsContact CB-OE1 3.26Å; T62-E96 WeakPolarHBondContact CB-OE1 3.44Å; T62-E96 HydrophobicContact CG2-CB 4.25Å; T62-E96 HydrophobicContact CG2-CG 3.85Å; T62-E96 WeakPolarHBondContact CG2-OE1 3.49Å; T62-E96 PolarHBondContact N-OE1 3.08Å; T62-E96 PolarHBondContact OG1-OE1 3.05Å
63G98.2Very high98.5Very high53 Ų5350.3 Ų50.355%0.54630%0.298SS..  trans65.617.1-171.500000113.6G59G59-G63 VanDerWaalsContact O-CA 3.32Å; G59-G63 WeakPolarHBondContact O-CA 3.43Å; G59-G63 PolarHBondContact O-N 3.37Å
64K98.5Very high98.5Very high106 Ų10649.2 Ų49.246%0.46129%0.29SS..SBendtrans-111.3157.4179.9-58.7-64.4-176.1172.40110.5G59 T62 L66 F87G59-K64 PolarHBondContact N-O 3.16Å; T62-K64 PolarHBondContact O-N 2.97Å; T62-K64 PolarHBondContact OG1-N 3.34Å; K64-L66 PolarHBondContact O-N 3.31Å; K64-F87 HydrophobicContact CB-CD2 4.01Å; K64-F87 HydrophobicContact CB-CE2 4.02Å
65P98.8Very high98.5Very high72 Ų7251.9 Ų51.947%0.46829%0.294SS..BIsolated β-bridgetrans-56.1133.9172.7-23.834.3000111.8G57 I58 H67 F87G57-P65 CarbonylContact O-C 3.34Å; G57-P65 WeakPolarHBondContact O-CA 3.49Å; I58-P65 HydrophobicContact CD1-CB 4.29Å; I58-P65 HydrophobicContact CD1-CG 3.9Å; P65-H67 HydrophobicContact CB-CB 4.17Å; P65-H67 PolarHBondContact O-N 3.22Å; P65-F87 WeakPolarHBondContact O-CD2 3.49Å
66L98.8Very high98.5Very high8 Ų847.4 Ų47.44%0.04227%0.273CS..SBendtrans-72.766.3170.4-71.3170.9000109.5L51 G54 K56 G57 K64 F87 E96L51-L66 HydrophobicContact CD2-CB 3.91Å; L51-L66 HydrophobicContact CD2-CD2 4.16Å; G54-L66 WeakPolarHBondContact CA-O 3.43Å; K56-L66 HydrophobicContact CB-CB 4.43Å; K56-L66 HydrophobicContact CB-CD1 3.72Å; G57-L66 PolarHBondContact O-N 3.01Å; K64-L66 PolarHBondContact O-N 3.31Å; L66-F87 HydrophobicContact CD2-CE1 4.46Å; L66-F87 HydrophobicContact CD2-CZ 3.91Å; L66-E96 HydrophobicContact CD2-CG 3.74Å
67H98.9Very high98.5Very high47 Ų4744.8 Ų44.822%0.21826%0.263CS..  trans-150.1134.8-169.8-165.6-169.8000111.8L51 C52 P65 K69 C181L51-H67 CarbonylContact O-C 3.42Å; L51-H67 VanDerWaalsContact O-CA 3.3Å; L51-H67 WeakPolarHBondContact O-CA 3.48Å; L51-H67 PolarHBondContact O-CD2 3.12Å; C52-H67 PolarHBondContact O-NE2 3.34Å; P65-H67 HydrophobicContact CB-CB 4.17Å; P65-H67 PolarHBondContact O-N 3.22Å; H67-K69 VanDerWaalsContact CE1-CB 3.45Å; H67-K69 WeakPolarHBondContact CE1-CB 3.38Å; H67-C181 PolarHBondContact NE2-SG 3.33Å; H67-C181 VanDerWaalsContact NE2-SG 3.37Å
68F98.9Very high98.5Very high0 Ų049 Ų490%027%0.271CS..  trans-79-14.2178.6-69.4-45.7000114.6F20 F48 L51 G70 C71 S130 F132 I178F20-F68 HydrophobicContact CE1-CB 4.27Å; F20-F68 AromaticContact CE1-CD2 3.99Å; F20-F68 HydrophobicContact CE1-CD2 3.99Å; F20-F68 HydrophobicContact CE1-CG 4.46Å; F20-F68 AromaticContact CZ-CD2 3.99Å; F20-F68 HydrophobicContact CZ-CD2 3.99Å; F20-F68 HydrophobicContact CZ-CE2 4.44Å; F48-F68 HydrophobicContact CD1-CE2 4.34Å; F48-F68 AromaticContact CD2-CE2 3.63Å; F48-F68 HydrophobicContact CD2-CE2 3.63Å; F48-F68 AromaticContact CD2-CZ 3.86Å; F48-F68 HydrophobicContact CD2-CZ 3.86Å; F48-F68 HydrophobicContact CE1-CE2 4.29Å; F48-F68 AromaticContact CE2-CE2 3.59Å; F48-F68 HydrophobicContact CE2-CE2 3.59Å; F48-F68 AromaticContact CE2-CZ 3.83Å; F48-F68 HydrophobicContact CE2-CZ 3.83Å; F48-F68 HydrophobicContact CG-CE2 4.05Å; F48-F68 AromaticContact CZ-CE2 3.95Å; F48-F68 HydrophobicContact CZ-CE2 3.95Å; L51-F68 HydrophobicContact CB-CD1 4.47Å; L51-F68 HydrophobicContact CB-CD2 3.71Å; L51-F68 HydrophobicContact CB-CE1 4.15Å; L51-F68 HydrophobicContact CB-CE2 3.34Å; L51-F68 HydrophobicContact CB-CG 4.27Å; L51-F68 HydrophobicContact CB-CZ 3.58Å; L51-F68 HydrophobicContact CD1-CE1 4.13Å; L51-F68 HydrophobicContact CD1-CE2 4.2Å; L51-F68 HydrophobicContact CD1-CZ 3.62Å; L51-F68 HydrophobicContact CG-CE2 4.41Å; L51-F68 HydrophobicContact CG-CZ 4.21Å; L51-F68 WeakPolarHBondContact O-CD2 3.4Å; L51-F68 PolarHBondContact O-N 3.06Å; F68-G70 PolarHBondContact O-N 2.89Å; F68-C71 WeakPolarHBondContact O-CB 3.23Å; F68-C71 PolarHBondContact O-N 3.05Å; F68-S130 WeakPolarHBondContact CE1-O 3.39Å; F68-S130 WeakPolarHBondContact CZ-O 3.48Å; F68-F132 HydrophobicContact CE1-CD1 4.29Å; F68-F132 HydrophobicContact CE1-CE1 4.2Å; F68-F132 HydrophobicContact CZ-CD1 4.11Å; F68-F132 HydrophobicContact CZ-CE1 4.22Å; F68-I178 HydrophobicContact CB-CD1 4.13Å
69K98.8Very high98.5Very high102 Ų10251.4 Ų51.444%0.44328%0.277SS..THydrogen-bonded Turntrans-57.7123.3177.7-178.7-178.7-178.2150.70110.4H67 C71 E180 C181H67-K69 VanDerWaalsContact CE1-CB 3.45Å; H67-K69 WeakPolarHBondContact CE1-CB 3.38Å; K69-C71 VanDerWaalsContact C-N 3.32Å; K69-E180 WeakPolarHBondContact CD-OE2 3.47Å; K69-E180 VanDerWaalsContact CE-CD 3.48Å; K69-E180 WeakPolarHBondContact CE-OE2 3.43Å; K69-E180 WeakPolarHBondContact CG-OE2 3.45Å; K69-E180 IonicContact NZ-OE1 3.68Å; K69-E180 PolarHBondContact NZ-OE1 2.67Å; K69-E180 IonicContact NZ-OE2 2.89Å; K69-E180 PolarHBondContact NZ-OE2 3.46Å; K69-C181 PolarHBondContact N-SG 3.15Å
70G98.6Very high98.5Very high30 Ų3053.5 Ų53.531%0.30929%0.287SS..THydrogen-bonded Turntrans82.72.1-175.800000114.6F68 I177 I178F68-G70 PolarHBondContact O-N 2.89Å; G70-I177 VanDerWaalsContact O-CD1 3.3Å; G70-I177 WeakPolarHBondContact O-CD1 2.91Å; G70-I177 WeakPolarHBondContact O-CG1 3.45Å; G70-I178 WeakPolarHBondContact CA-O 3.49Å; G70-I178 PolarHBondContact N-O 2.87Å
71C98.7Very high98.6Very high1 Ų148.4 Ų48.41%0.00725%0.253CS..  trans-77.5133.5177-175.10000110.7F68 K69 G85 D86 F87 I178F68-C71 WeakPolarHBondContact O-CB 3.23Å; F68-C71 PolarHBondContact O-N 3.05Å; K69-C71 VanDerWaalsContact C-N 3.32Å; C71-G85 VanDerWaalsContact SG-CA 3.56Å; C71-G85 PolarHBondContact SG-N 2.88Å; C71-G85 VanDerWaalsContact SG-N 3.4Å; C71-D86 VanDerWaalsContact SG-C 3.52Å; C71-F87 HydrophobicContact CB-CB 4.35Å; C71-I178 HydrophobicContact CB-CD1 4.47Å; C71-I178 PolarHBondContact O-N 3.48Å
72P98.8Very high98.6Very high7 Ų744.6 Ų44.65%0.04523%0.23CC..BIsolated β-bridgetrans-84.3156176.731.1-31.2000113.6H74 Q90 L175 C176P72-H74 PolarHBondContact O-N 3.01Å; P72-Q90 HydrophobicContact CG-CB 3.62Å; P72-Q90 HydrophobicContact CG-CG 3.89Å; P72-L175 HydrophobicContact CB-CD1 4.07Å; P72-C176 CarbonylContact C-O 3.57Å; P72-C176 WeakPolarHBondContact CA-O 3.45Å; P72-C176 WeakPolarHBondContact CB-O 3.42Å
73F98.8Very high98.7Very high3 Ų343.8 Ų43.81%0.01322%0.224CC..  trans-78.896.3156.2-63.7-86.8000107.7V22 I76 I82 Q83 F132 L162 P172 C176 I178V22-F73 HydrophobicContact CG1-CE2 4.39Å; V22-F73 HydrophobicContact CG2-CE2 4.24Å; F73-I76 HydrophobicContact CB-CD1 4.17Å; F73-I76 HydrophobicContact CB-CG1 4.41Å; F73-I82 HydrophobicContact CD1-CB 4.42Å; F73-I82 HydrophobicContact CD1-CD1 4.32Å; F73-I82 HydrophobicContact CE1-CD1 4.03Å; F73-Q83 CarbonylContact C-O 3.59Å; F73-Q83 VanDerWaalsContact CA-O 3.27Å; F73-Q83 WeakPolarHBondContact CA-O 3.27Å; F73-F132 HydrophobicContact CE1-CE2 4.19Å; F73-F132 HydrophobicContact CE1-CZ 4.17Å; F73-L162 HydrophobicContact CD2-CD1 4.06Å; F73-L162 HydrophobicContact CD2-CD2 4.02Å; F73-L162 HydrophobicContact CE1-CD1 4.26Å; F73-L162 HydrophobicContact CE2-CD1 3.77Å; F73-L162 HydrophobicContact CE2-CD2 4.43Å; F73-L162 HydrophobicContact CG-CD1 4.43Å; F73-L162 HydrophobicContact CG-CD2 4.45Å; F73-L162 HydrophobicContact CZ-CD1 3.87Å; F73-P172 WeakPolarHBondContact O-CG 3.41Å; F73-C176 HydrophobicContact CB-CB 4.08Å; F73-C176 HydrophobicContact CD2-CB 4.27Å; F73-C176 PolarHBondContact N-O 3.27Å; F73-I178 HydrophobicContact CE2-CG1 3.73Å; F73-I178 HydrophobicContact CZ-CD1 4.35Å; F73-I178 HydrophobicContact CZ-CG1 3.93Å
74H98.8Very high98.7Very high20 Ų2041.3 Ų41.39%0.09320%0.198CC..  trans-87-15.5-169.961-92.2000113.3P72 Q83 Q90 G92 Q131P72-H74 PolarHBondContact O-N 3.01Å; H74-Q83 PolarHBondContact N-O 3.07Å; H74-Q83 VanDerWaalsContact N-O 3.14Å; H74-Q90 WeakPolarHBondContact CB-O 3.41Å; H74-G92 PolarHBondContact CD2-N 3.46Å; H74-G92 VanDerWaalsContact NE2-CA 3.28Å; H74-G92 WeakPolarHBondContact NE2-CA 3.39Å; H74-Q131 PolarHBondContact CE1-OE1 3.39Å; H74-Q131 PolarHBondContact NE2-OE1 2.84Å
75R98.8Very high98.7Very high75 Ų7536.2 Ų36.228%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-140.8119.8-178.2-172.6-169.3-174.2-138.6-3.2110.4M81 Q83 E170R75-M81 HydrophobicContact CG-CE 4.17Å; R75-Q83 HydrophobicContact CB-CB 4.19Å; R75-Q83 PolarHBondContact N-O 3.37Å; R75-Q83 PolarHBondContact O-N 3.48Å; R75-E170 CarbonylContact C-O 3.5Å; R75-E170 WeakPolarHBondContact CA-O 3.14Å; R75-E170 HydrophobicContact CG-CB 3.78Å; R75-E170 IonicContact CZ-OE1 2.77Å; R75-E170 IonicContact CZ-OE2 3.89Å; R75-E170 IonicContact NE-OE1 3.77Å; R75-E170 IonicContact NE-OE2 3.78Å; R75-E170 PolarHBondContact NE-OE2 3Å; R75-E170 IonicContact NH2-OE1 2.62Å; R75-E170 PolarHBondContact NH2-OE1 3.11Å; R75-E170 IonicContact NH2-OE2 3.91Å; R75-E170 PolarHBondContact NH2-OE2 3.5Å
76I98.8Very high98.7Very high2 Ų232.8 Ų32.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-131.2128.1-178.8-64.8-171.5000108.9F73 I82 L162 V165 V167 E170 P172F73-I76 HydrophobicContact CB-CD1 4.17Å; F73-I76 HydrophobicContact CB-CG1 4.41Å; I76-I82 HydrophobicContact CB-CG2 4.38Å; I76-I82 HydrophobicContact CD1-CG2 4.08Å; I76-I82 HydrophobicContact CG1-CB 4.29Å; I76-I82 HydrophobicContact CG1-CG2 3.95Å; I76-I82 HydrophobicContact CG2-CG2 3.91Å; I76-L162 HydrophobicContact CD1-CB 4.35Å; I76-L162 HydrophobicContact CD1-CD2 4.4Å; I76-L162 WeakPolarHBondContact CD1-O 3.16Å; I76-V165 HydrophobicContact CD1-CG2 3.96Å; I76-V167 HydrophobicContact CB-CG1 4.26Å; I76-V167 HydrophobicContact CG2-CG1 4.41Å; I76-E170 PolarHBondContact N-O 2.89Å; I76-P172 HydrophobicContact CB-CG 4.19Å; I76-P172 HydrophobicContact CD1-CG 3.57Å; I76-P172 HydrophobicContact CG1-CG 3.74Å
77I98.6Very high98.7Very high42 Ų4233.3 Ų33.322%0.21516%0.155CC..EExtended strand (participates in β ladder)trans-129.1111.5177.8-56.5174.9000108.1F80 M81 E170I77-F80 HydrophobicContact CB-CB 4.06Å; I77-F80 HydrophobicContact CB-CD1 3.98Å; I77-F80 HydrophobicContact CD1-CD1 3.88Å; I77-F80 HydrophobicContact CD1-CE1 4.3Å; I77-F80 HydrophobicContact CG1-CD1 4.5Å; I77-F80 HydrophobicContact CG2-CB 3.82Å; I77-F80 HydrophobicContact CG2-CD1 4.03Å; I77-F80 HydrophobicContact CG2-CG 4.43Å; I77-F80 PolarHBondContact O-N 2.95Å; I77-F80 VanDerWaalsContact O-N 3.13Å; I77-M81 HydrophobicContact CB-CE 3.99Å; I77-M81 HydrophobicContact CD1-CE 3.59Å; I77-M81 HydrophobicContact CG1-CE 3.65Å; I77-M81 PolarHBondContact N-O 3.14Å; I77-M81 PolarHBondContact O-N 3.38Å; I77-M81 VanDerWaalsContact O-N 3.14Å; I77-E170 HydrophobicContact CD1-CG 4.1Å; I77-E170 VanDerWaalsContact CD1-OE1 3.24Å; I77-E170 WeakPolarHBondContact CD1-OE1 3.32Å; I77-E170 HydrophobicContact CG1-CB 4.27Å; I77-E170 HydrophobicContact CG1-CG 4Å
78K98.4Very high98.7Very high126 Ų12632 Ų3255%0.54815%0.151SC..THydrogen-bonded Turntrans-59.8136.6179.6-179.7166177.2165.70111.1F80 E163 N164K78-F80 VanDerWaalsContact C-N 3.28Å; K78-E163 HydrophobicContact CB-CG 4.29Å; K78-E163 HydrophobicContact CG-CG 4.22Å; K78-N164 WeakPolarHBondContact CE-OD1 3.24Å; K78-N164 PolarHBondContact NZ-OD1 3.16Å
79K97.9Very high98.6Very high156 Ų15636.2 Ų36.268%0.67817%0.174SC*.THydrogen-bonded Turntrans58.936.3-172.5-59.6179.2178.6-1760113.2V137 E163K79-V137 HydrophobicContact CB-CG1 4.35Å; K79-V137 VanDerWaalsContact O-CG2 3.22Å; K79-V137 WeakPolarHBondContact O-CG2 3.42Å; K79-E163 WeakPolarHBondContact CA-OE1 3.33Å; K79-E163 PolarHBondContact N-OE1 3.23Å
80F98.6Very high98.6Very high44 Ų4436 Ų3619%0.19317%0.174CC..THydrogen-bonded Turntrans-146.7-76.2173.9-177.8-144.5000111.2I77 K78 T136 T139 H141 L142I77-F80 HydrophobicContact CB-CB 4.06Å; I77-F80 HydrophobicContact CB-CD1 3.98Å; I77-F80 HydrophobicContact CD1-CD1 3.88Å; I77-F80 HydrophobicContact CD1-CE1 4.3Å; I77-F80 HydrophobicContact CG1-CD1 4.5Å; I77-F80 HydrophobicContact CG2-CB 3.82Å; I77-F80 HydrophobicContact CG2-CD1 4.03Å; I77-F80 HydrophobicContact CG2-CG 4.43Å; I77-F80 PolarHBondContact O-N 2.95Å; I77-F80 VanDerWaalsContact O-N 3.13Å; K78-F80 VanDerWaalsContact C-N 3.28Å; F80-T136 PolarHBondContact N-OG1 2.87Å; F80-T136 VanDerWaalsContact N-OG1 3.14Å; F80-T136 PolarHBondContact O-N 3.13Å; F80-T136 PolarHBondContact O-OG1 3.09Å; F80-T139 HydrophobicContact CD2-CG2 3.42Å; F80-T139 VanDerWaalsContact CD2-CG2 3.42Å; F80-T139 HydrophobicContact CE2-CG2 3.52Å; F80-H141 AromaticContact CE2-CE1 3.55Å; F80-H141 AromaticContact CE2-NE2 3.34Å; F80-H141 VanDerWaalsContact CE2-NE2 3.34Å; F80-H141 WeakPolarHBondContact CE2-NE2 3.49Å; F80-H141 AromaticContact CZ-NE2 3.68Å; F80-L142 HydrophobicContact CE2-CD1 3.97Å; F80-L142 HydrophobicContact CZ-CD1 4.13Å; F80-L142 HydrophobicContact CZ-CD2 4.46Å
81M98.6Very high98.6Very high4 Ų439 Ų392%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-165.1163.4-175.462.681.3-135.500113.1R75 I77 Q83 F133 I134R75-M81 HydrophobicContact CG-CE 4.17Å; I77-M81 HydrophobicContact CB-CE 3.99Å; I77-M81 HydrophobicContact CD1-CE 3.59Å; I77-M81 HydrophobicContact CG1-CE 3.65Å; I77-M81 PolarHBondContact N-O 3.14Å; I77-M81 PolarHBondContact O-N 3.38Å; I77-M81 VanDerWaalsContact O-N 3.14Å; M81-Q83 HydrophobicContact CE-CB 4.3Å; M81-Q83 HydrophobicContact SD-CB 3.61Å; M81-F133 HydrophobicContact CB-CB 4.22Å; M81-F133 HydrophobicContact CB-CD2 3.96Å; M81-F133 HydrophobicContact CB-CG 4.44Å; M81-F133 HydrophobicContact CG-CB 4.28Å; M81-F133 HydrophobicContact CG-CD2 4.3Å; M81-F133 HydrophobicContact CG-CG 4.47Å; M81-F133 HydrophobicContact SD-CB 3.82Å; M81-F133 HydrophobicContact SD-CG 4.49Å; M81-I134 VanDerWaalsContact CA-O 3.26Å; M81-I134 WeakPolarHBondContact CA-O 3.37Å; M81-I134 WeakPolarHBondContact CB-O 3.43Å
82I98.9Very high98.5Very high0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-114.4128.416754.9165.5000109.3F73 I76 F133 I134 T159 L162 E163F73-I82 HydrophobicContact CD1-CB 4.42Å; F73-I82 HydrophobicContact CD1-CD1 4.32Å; F73-I82 HydrophobicContact CE1-CD1 4.03Å; I76-I82 HydrophobicContact CB-CG2 4.38Å; I76-I82 HydrophobicContact CD1-CG2 4.08Å; I76-I82 HydrophobicContact CG1-CB 4.29Å; I76-I82 HydrophobicContact CG1-CG2 3.95Å; I76-I82 HydrophobicContact CG2-CG2 3.91Å; I82-F133 CarbonylContact O-C 3.55Å; I82-F133 WeakPolarHBondContact O-CA 3.38Å; I82-F133 WeakPolarHBondContact O-CB 3.41Å; I82-I134 HydrophobicContact CD1-CB 4.21Å; I82-I134 HydrophobicContact CD1-CD1 4.28Å; I82-I134 HydrophobicContact CG1-CB 3.82Å; I82-I134 PolarHBondContact N-O 3.5Å; I82-I134 PolarHBondContact O-N 3.09Å; I82-T159 HydrophobicContact CD1-CG2 3.75Å; I82-T159 HydrophobicContact CG1-CG2 4.2Å; I82-L162 HydrophobicContact CD1-CB 4.05Å; I82-L162 HydrophobicContact CD1-CD1 3.62Å; I82-L162 HydrophobicContact CG2-CB 4.1Å; I82-E163 HydrophobicContact CG2-CB 4.45Å
83Q98.9Very high98.5Very high22 Ų2244.8 Ų44.810%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-119136.5-174.5174.2176.8-9.900111.9F73 H74 R75 M81 F132 F133F73-Q83 CarbonylContact C-O 3.59Å; F73-Q83 VanDerWaalsContact CA-O 3.27Å; F73-Q83 WeakPolarHBondContact CA-O 3.27Å; H74-Q83 PolarHBondContact N-O 3.07Å; H74-Q83 VanDerWaalsContact N-O 3.14Å; R75-Q83 HydrophobicContact CB-CB 4.19Å; R75-Q83 PolarHBondContact N-O 3.37Å; R75-Q83 PolarHBondContact O-N 3.48Å; M81-Q83 HydrophobicContact CE-CB 4.3Å; M81-Q83 HydrophobicContact SD-CB 3.61Å; Q83-F132 WeakPolarHBondContact CA-O 3.45Å; Q83-F132 WeakPolarHBondContact CG-O 3.41Å; Q83-F133 HydrophobicContact CB-CB 4.06Å
84G98.8Very high98.4Very high0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-146.4-161.9-179.400000112.2Q131 F132G84-Q131 VanDerWaalsContact O-CA 3.3Å; G84-Q131 WeakPolarHBondContact O-CA 3.49Å; G84-F132 PolarHBondContact N-O 3.34Å; G84-F132 PolarHBondContact O-N 3.1Å; G84-F132 VanDerWaalsContact O-N 3.11Å
85G98.6Very high98.4Very high0 Ų045.2 Ų45.20%024%0.235CC..  trans88.61.9172.200000116.4C71 F87 S130C71-G85 VanDerWaalsContact SG-CA 3.56Å; C71-G85 PolarHBondContact SG-N 2.88Å; C71-G85 VanDerWaalsContact SG-N 3.4Å; G85-F87 PolarHBondContact O-N 3.09Å; G85-S130 CarbonylContact O-C 3.41Å; G85-S130 VanDerWaalsContact O-CB 3.32Å; G85-S130 WeakPolarHBondContact O-CB 3.37Å; G85-S130 PolarHBondContact O-OG 3.2Å
86D98.8Very high98.4Very high0 Ų041.6 Ų41.60%022%0.221CC..  trans-83.980.7166.3-179.45.2000109.8C71 S88 N89 Q90 N91 G92 T93 G94 G95 Q131C71-D86 VanDerWaalsContact SG-C 3.52Å; D86-S88 PolarHBondContact O-N 3.08Å; D86-S88 PolarHBondContact OD1-N 2.93Å; D86-S88 PolarHBondContact OD1-OG 3.19Å; D86-S88 VanDerWaalsContact OD1-OG 3.05Å; D86-N89 PolarHBondContact OD1-N 3.34Å; D86-Q90 VanDerWaalsContact O-CA 3.24Å; D86-Q90 WeakPolarHBondContact O-CA 3.33Å; D86-Q90 PolarHBondContact O-N 3.03Å; D86-Q90 PolarHBondContact OD1-N 2.9Å; D86-Q90 PolarHBondContact OD2-N 3.39Å; D86-Q90 VanDerWaalsContact OD2-N 3.08Å; D86-N91 PolarHBondContact OD2-N 3.01Å; D86-N91 PolarHBondContact OD2-OD1 3.4Å; D86-G92 PolarHBondContact OD2-N 3.16Å; D86-T93 PolarHBondContact OD2-N 3.23Å; D86-G94 WeakPolarHBondContact OD1-CA 3.39Å; D86-G94 PolarHBondContact OD2-N 3.04Å; D86-G95 PolarHBondContact OD1-N 3.35Å; D86-Q131 HydrophobicContact CB-CG 3.98Å
87F98.6Very high98.4Very high18 Ų1841.6 Ų41.68%0.07922%0.221CC..THydrogen-bonded Turntrans-71.8-13-179.460-104.1000113.3L51 T62 K64 P65 L66 C71 G85 E96 S130L51-F87 HydrophobicContact CD2-CE1 4.05Å; T62-F87 HydrophobicContact CG2-CE2 4.36Å; K64-F87 HydrophobicContact CB-CD2 4.01Å; K64-F87 HydrophobicContact CB-CE2 4.02Å; P65-F87 WeakPolarHBondContact O-CD2 3.49Å; L66-F87 HydrophobicContact CD2-CE1 4.46Å; L66-F87 HydrophobicContact CD2-CZ 3.91Å; C71-F87 HydrophobicContact CB-CB 4.35Å; G85-F87 PolarHBondContact O-N 3.09Å; F87-E96 HydrophobicContact CZ-CG 3.79Å; F87-S130 WeakPolarHBondContact CE1-OG 3.4Å
88S98.3Very high98.4Very high19 Ų1941 Ų4113%0.13322%0.218CC..THydrogen-bonded Turntrans-96.3-56.2-172.464.40000113.1D86 G94 G95D86-S88 PolarHBondContact O-N 3.08Å; D86-S88 PolarHBondContact OD1-N 2.93Å; D86-S88 PolarHBondContact OD1-OG 3.19Å; D86-S88 VanDerWaalsContact OD1-OG 3.05Å; S88-G94 WeakPolarHBondContact OG-CA 3.24Å; S88-G95 PolarHBondContact OG-N 3.02Å
89N98.4Very high98.4Very high89 Ų8939.8 Ų39.848%0.47621%0.211SC..THydrogen-bonded Turntrans-105-14.2-176.6-68.2-11.4000112.3D86 N91 T93D86-N89 PolarHBondContact OD1-N 3.34Å; N89-N91 WeakPolarHBondContact CB-OD1 3.34Å; N89-N91 PolarHBondContact O-N 3.25Å; N89-N91 VanDerWaalsContact O-N 3.16Å; N89-T93 PolarHBondContact ND2-OG1 3.11Å
90Q98.4Very high98.3Very high98 Ų9833.4 Ų33.446%0.45819%0.189SC..SBendtrans58.525.6174.7-59.4-172.220.900114.8P72 H74 D86P72-Q90 HydrophobicContact CG-CB 3.62Å; P72-Q90 HydrophobicContact CG-CG 3.89Å; H74-Q90 WeakPolarHBondContact CB-O 3.41Å; D86-Q90 VanDerWaalsContact O-CA 3.24Å; D86-Q90 WeakPolarHBondContact O-CA 3.33Å; D86-Q90 PolarHBondContact O-N 3.03Å; D86-Q90 PolarHBondContact OD1-N 2.9Å; D86-Q90 PolarHBondContact OD2-N 3.39Å; D86-Q90 VanDerWaalsContact OD2-N 3.08Å
91N98.1Very high98.2Very high92 Ų9236.6 Ų36.649%0.49221%0.205SC..SBendtrans-142.93.4-17366.414.3000114.1D86 N89 T93D86-N91 PolarHBondContact OD2-N 3.01Å; D86-N91 PolarHBondContact OD2-OD1 3.4Å; N89-N91 WeakPolarHBondContact CB-OD1 3.34Å; N89-N91 PolarHBondContact O-N 3.25Å; N89-N91 VanDerWaalsContact O-N 3.16Å; N91-T93 WeakPolarHBondContact OD1-CB 3.4Å; N91-T93 WeakPolarHBondContact OD1-CG2 3.39Å; N91-T93 PolarHBondContact OD1-N 3.27Å; N91-T93 PolarHBondContact OD1-OG1 3.15Å
92G97.6Very high98.1Very high27 Ų2741.5 Ų41.528%0.27823%0.226SC..SBendtrans95.9-1.2178.400000114.2H74 D86 Q131H74-G92 PolarHBondContact CD2-N 3.46Å; H74-G92 VanDerWaalsContact NE2-CA 3.28Å; H74-G92 WeakPolarHBondContact NE2-CA 3.39Å; D86-G92 PolarHBondContact OD2-N 3.16Å; G92-Q131 PolarHBondContact O-NE2 3.29Å
93T97.8Very high98.1Very high103 Ų10342.2 Ų42.263%0.63223%0.229SC*.SBendtrans-97.2-8.5-17965.60000114D86 N89 N91D86-T93 PolarHBondContact OD2-N 3.23Å; N89-T93 PolarHBondContact ND2-OG1 3.11Å; N91-T93 WeakPolarHBondContact OD1-CB 3.4Å; N91-T93 WeakPolarHBondContact OD1-CG2 3.39Å; N91-T93 PolarHBondContact OD1-N 3.27Å; N91-T93 PolarHBondContact OD1-OG1 3.15Å
94G97.4Very high98.1Very high17 Ų1747.1 Ų47.118%0.17525%0.252CS..  trans-124.5-157.4-176.700000114.1D86 S88 Q131D86-G94 WeakPolarHBondContact OD1-CA 3.39Å; D86-G94 PolarHBondContact OD2-N 3.04Å; S88-G94 WeakPolarHBondContact OG-CA 3.24Å; G94-Q131 PolarHBondContact O-NE2 3.13Å
95G98Very high98.1Very high15 Ų1548 Ų4816%0.15526%0.257CS..  trans93.5156.3-172.300000111.7D86 S88 S130D86-G95 PolarHBondContact OD1-N 3.35Å; S88-G95 PolarHBondContact OG-N 3.02Å; G95-S130 WeakPolarHBondContact CA-OG 3.2Å
96E98.6Very high98Very high0 Ų050.6 Ų50.60%027%0.269CS..  trans-148.4157.4172.761179.413300109.4G59 P60 T61 T62 L66 F87 S130G59-E96 WeakPolarHBondContact CA-OE1 3.29Å; P60-E96 VanDerWaalsContact CD-OE2 3.3Å; P60-E96 WeakPolarHBondContact CD-OE2 3.45Å; T61-E96 WeakPolarHBondContact CB-OE2 3.45Å; T61-E96 PolarHBondContact N-OE1 3.27Å; T61-E96 PolarHBondContact N-OE2 3.23Å; T61-E96 WeakPolarHBondContact OG1-CB 3.33Å; T61-E96 PolarHBondContact OG1-OE1 3.06Å; T61-E96 PolarHBondContact OG1-OE2 2.76Å; T62-E96 VanDerWaalsContact CB-OE1 3.26Å; T62-E96 WeakPolarHBondContact CB-OE1 3.44Å; T62-E96 HydrophobicContact CG2-CB 4.25Å; T62-E96 HydrophobicContact CG2-CG 3.85Å; T62-E96 WeakPolarHBondContact CG2-OE1 3.49Å; T62-E96 PolarHBondContact N-OE1 3.08Å; T62-E96 PolarHBondContact OG1-OE1 3.05Å; L66-E96 HydrophobicContact CD2-CG 3.74Å; F87-E96 HydrophobicContact CZ-CG 3.79Å; E96-S130 PolarHBondContact N-OG 3.37Å; E96-S130 WeakPolarHBondContact O-CB 3.45Å
97S98.8Very high97.9Very high1 Ų152.9 Ų52.91%0.00728%0.281CS..BIsolated β-bridgetrans-84.6168.3177.278.30000111.8N47 Y99 G100 F103N47-S97 WeakPolarHBondContact OD1-CA 3.29Å; N47-S97 WeakPolarHBondContact OD1-CB 3.39Å; S97-Y99 PolarHBondContact O-N 2.96Å; S97-Y99 VanDerWaalsContact O-N 3.15Å; S97-Y99 PolarHBondContact OG-N 3.18Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å; S97-G100 CarbonylContact C-O 3.55Å; S97-G100 WeakPolarHBondContact CA-O 3.07Å; S97-G100 WeakPolarHBondContact CB-O 3.34Å; S97-G100 PolarHBondContact N-O 3.03Å; S97-G100 PolarHBondContact O-N 3.05Å; S97-G100 VanDerWaalsContact O-O 3.08Å; S97-G100 PolarHBondContact OG-N 3Å; S97-G100 PolarHBondContact OG-O 2.99Å; S97-F103 VanDerWaalsContact CB-CD1 3.49Å
98I98.8Very high97.9Very high31 Ų3155.1 Ų55.116%0.15929%0.291CS..THydrogen-bonded Turntrans-68.5-8.3170.870.4169.3000113.4E46 N47 A50 L51 K56E46-I98 HydrophobicContact CG-CD1 4.08Å; N47-I98 HydrophobicContact CB-CD1 4.49Å; N47-I98 HydrophobicContact CB-CG1 4.22Å; N47-I98 PolarHBondContact OD1-N 2.85Å; A50-I98 HydrophobicContact CB-CD1 3.95Å; A50-I98 HydrophobicContact CB-CG2 3.93Å; L51-I98 HydrophobicContact CD2-CG2 4.3Å; L51-I98 HydrophobicContact CG-CG2 4.12Å; K56-I98 HydrophobicContact CB-CG2 4.38Å; K56-I98 HydrophobicContact CG-CB 4.14Å; K56-I98 HydrophobicContact CG-CG2 3.94Å
99Y98.4Very high97.9Very high99 Ų9956.9 Ų56.939%0.38830%0.297SS..THydrogen-bonded Turntrans-1033.5-179-50.1-57.3000112.9K43 N47 S97 F103K43-Y99 HydrophobicContact CB-CE2 4.27Å; K43-Y99 WeakPolarHBondContact O-CE2 3.46Å; K43-Y99 PolarHBondContact O-OH 3.25Å; N47-Y99 HydrophobicContact CB-CE2 3.89Å; S97-Y99 PolarHBondContact O-N 2.96Å; S97-Y99 VanDerWaalsContact O-N 3.15Å; S97-Y99 PolarHBondContact OG-N 3.18Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å; Y99-F103 HydrophobicContact CD2-CB 4.21Å; Y99-F103 HydrophobicContact CD2-CD1 4.28Å; Y99-F103 HydrophobicContact CD2-CD2 4.5Å; Y99-F103 HydrophobicContact CD2-CG 4.09Å
100G95.9Very high97.9Very high22 Ų2254 Ų5423%0.22728%0.28CS..BIsolated β-bridgetrans121.2-169.5-171.600000111.9S97 K102S97-G100 CarbonylContact C-O 3.55Å; S97-G100 WeakPolarHBondContact CA-O 3.07Å; S97-G100 WeakPolarHBondContact CB-O 3.34Å; S97-G100 PolarHBondContact N-O 3.03Å; S97-G100 PolarHBondContact O-N 3.05Å; S97-G100 VanDerWaalsContact O-O 3.08Å; S97-G100 PolarHBondContact OG-N 3Å; S97-G100 PolarHBondContact OG-O 2.99Å; G100-K102 VanDerWaalsContact C-N 3.29Å; G100-K102 PolarHBondContact O-N 3.11Å
101E95.7Very high97.9Very high112 Ų11252.6 Ų52.652%0.52327%0.272SS..SBendtrans-52.9-47.4-175.8-163.6-168.6143.800112.1T61T61-E101 HydrophobicContact CG2-CB 4.15Å
102K97.6Very high98Very high107 Ų10748.2 Ų48.247%0.46525%0.249SC..  trans-140.5155.8-176.6-66.7172.3-178.1174.20111.8G100 T127 N128G100-K102 VanDerWaalsContact C-N 3.29Å; G100-K102 PolarHBondContact O-N 3.11Å; K102-T127 HydrophobicContact CD-CG2 3.99Å; K102-N128 CarbonylContact C-O 3.57Å; K102-N128 WeakPolarHBondContact CA-O 3.42Å
103F98.6Very high98Very high15 Ų1549.7 Ų49.77%0.06625%0.25CS..BIsolated β-bridgetrans-136.4165.2169.372.2-79.9000112.5T44 N47 S97 Y99 M120 N126 N128 G129T44-F103 HydrophobicContact CG2-CE2 4.47Å; T44-F103 HydrophobicContact CG2-CZ 4.28Å; N47-F103 HydrophobicContact CB-CE1 4.48Å; N47-F103 HydrophobicContact CB-CZ 4.43Å; S97-F103 VanDerWaalsContact CB-CD1 3.49Å; Y99-F103 HydrophobicContact CD2-CB 4.21Å; Y99-F103 HydrophobicContact CD2-CD1 4.28Å; Y99-F103 HydrophobicContact CD2-CD2 4.5Å; Y99-F103 HydrophobicContact CD2-CG 4.09Å; F103-M120 HydrophobicContact CE1-CE 4.06Å; F103-M120 HydrophobicContact CZ-CE 4.05Å; F103-N126 CarbonylContact O-C 3.59Å; F103-N128 HydrophobicContact CD1-CB 3.73Å; F103-N128 WeakPolarHBondContact CD1-O 3.5Å; F103-N128 HydrophobicContact CD2-CB 4.16Å; F103-N128 HydrophobicContact CE1-CB 3.41Å; F103-N128 VanDerWaalsContact CE1-CB 3.41Å; F103-N128 HydrophobicContact CE2-CB 3.87Å; F103-N128 HydrophobicContact CG-CB 4.1Å; F103-N128 HydrophobicContact CZ-CB 3.49Å; F103-N128 VanDerWaalsContact CZ-CB 3.49Å; F103-N128 PolarHBondContact N-O 2.78Å; F103-N128 WeakPolarHBondContact O-CB 3.37Å; F103-N128 PolarHBondContact O-N 3.35Å; F103-N128 VanDerWaalsContact O-N 3.12Å; F103-N128 PolarHBondContact O-ND2 3.44Å; F103-G129 WeakPolarHBondContact CE1-O 3.19Å
104E98.4Very high98Very high124 Ų12447 Ų4758%0.57923%0.229SC*.  trans-68158.8-174.3-61.3-179.5161.400113.6E106 N126 N128E104-E106 PolarHBondContact O-N 2.82Å; E104-N126 HydrophobicContact CB-CB 4.39Å; E104-N126 HydrophobicContact CG-CB 4.33Å; E104-N128 VanDerWaalsContact C-ND2 3.33Å; E104-N128 PolarHBondContact O-ND2 3.15Å
105D98.4Very high98Very high20 Ų2049.5 Ų49.511%0.10724%0.236CC..  trans-70.8106.2166.9-60.5-48.9000108.9F108 R125 N126 N128 V147D105-F108 HydrophobicContact CB-CE1 4.17Å; D105-F108 HydrophobicContact CB-CE2 4.17Å; D105-F108 HydrophobicContact CB-CZ 3.58Å; D105-R125 WeakPolarHBondContact OD2-CA 3.28Å; D105-R125 WeakPolarHBondContact OD2-CG 3.24Å; D105-N126 PolarHBondContact N-OD1 2.92Å; D105-N126 PolarHBondContact OD2-N 3.41Å; D105-N126 PolarHBondContact OD2-OD1 3.46Å; D105-N128 WeakPolarHBondContact CA-ND2 3.3Å; D105-N128 PolarHBondContact N-ND2 2.89Å; D105-N128 PolarHBondContact OD1-ND2 3.37Å; D105-V147 HydrophobicContact CB-CG2 3.96Å
106E97.9Very high98.1Very high53 Ų5348.9 Ų48.925%0.24823%0.229CC..  trans-63.1-50.1-172.3-174.9168.3-159.600112.7V41 P42 K43 T44 E104V41-E106 VanDerWaalsContact CA-OE2 3.31Å; V41-E106 WeakPolarHBondContact CA-OE2 3.24Å; V41-E106 HydrophobicContact CB-CG 4.5Å; V41-E106 WeakPolarHBondContact CB-OE2 3.32Å; V41-E106 HydrophobicContact CG1-CB 4.36Å; V41-E106 HydrophobicContact CG1-CG 4.28Å; P42-E106 WeakPolarHBondContact CD-OE1 3.48Å; P42-E106 WeakPolarHBondContact CG-OE1 3.27Å; K43-E106 WeakPolarHBondContact CB-OE1 3.3Å; K43-E106 PolarHBondContact N-OE1 2.66Å; K43-E106 PolarHBondContact N-OE2 2.9Å; T44-E106 WeakPolarHBondContact CB-OE2 2.93Å; T44-E106 PolarHBondContact N-OE2 3.39Å; T44-E106 PolarHBondContact OG1-OE2 3.39Å; E104-E106 PolarHBondContact O-N 2.82Å
107N97.1Very high98.1Very high49 Ų4948.9 Ų48.926%0.26223%0.229SC..  trans-164.8171.6164.862.566.8000110.8I40 V41 H109I40-N107 PolarHBondContact O-ND2 3.06Å; V41-N107 VanDerWaalsContact CG1-ND2 3.32Å; V41-N107 WeakPolarHBondContact CG1-ND2 3.26Å; V41-N107 WeakPolarHBondContact CG1-OD1 3.28Å; N107-H109 WeakPolarHBondContact OD1-CB 3.5Å; N107-H109 PolarHBondContact OD1-N 3.39Å
108F98.1Very high98.1Very high64 Ų6448.9 Ų48.928%0.28123%0.229SC..  trans-115.346.9172.7-55.9-69.6000110.6D105 G144 V147D105-F108 HydrophobicContact CB-CE1 4.17Å; D105-F108 HydrophobicContact CB-CE2 4.17Å; D105-F108 HydrophobicContact CB-CZ 3.58Å; F108-G144 WeakPolarHBondContact CZ-O 3.48Å; F108-V147 HydrophobicContact CD1-CG2 4.49Å; F108-V147 HydrophobicContact CE1-CG2 4.14Å
109H98.2Very high98.1Very high56 Ų5647.4 Ų47.426%0.25922%0.221SC..  trans-62.5-50.3-174.9-17691.2000111.6S2 H3 I40 N107S2-H109 CarbonylContact C-O 3.39Å; S2-H109 WeakPolarHBondContact CA-O 3.2Å; H3-H109 AromaticContact CD2-CE1 3.17Å; H3-H109 PolarHBondContact CD2-CE1 2.91Å; H3-H109 AromaticContact CD2-ND1 3.57Å; H3-H109 AromaticContact CD2-NE2 3.51Å; H3-H109 AromaticContact CG-CE1 3.77Å; H3-H109 AromaticContact CG-NE2 3.67Å; H3-H109 PolarHBondContact N-O 3.43Å; H3-H109 AromaticContact NE2-CE1 3.71Å; I40-H109 HydrophobicContact CG2-CB 3.66Å; N107-H109 WeakPolarHBondContact OD1-CB 3.5Å; N107-H109 PolarHBondContact OD1-N 3.39Å
110Y98.7Very high98.1Very high30 Ų3042.7 Ų42.712%0.11820%0.203CC..BIsolated β-bridgetrans-93.2147.1-178.5-69.6-54.9000113.8H3 P4 P6 F37 I40H3-Y110 HydrophobicContact CB-CD1 4.4Å; H3-Y110 WeakPolarHBondContact O-CA 3.42Å; P4-Y110 VanDerWaalsContact O-CD1 3.24Å; P4-Y110 WeakPolarHBondContact O-CD1 3.48Å; P4-Y110 WeakPolarHBondContact O-CE1 3Å; P6-Y110 HydrophobicContact CG-CE1 3.99Å; P6-Y110 HydrophobicContact CG-CE2 4.19Å; F37-Y110 HydrophobicContact CB-CE2 4.43Å; F37-Y110 AromaticContact CD2-CD2 3.69Å; F37-Y110 HydrophobicContact CD2-CD2 3.69Å; F37-Y110 AromaticContact CD2-CE2 3.75Å; F37-Y110 HydrophobicContact CD2-CE2 3.75Å; F37-Y110 AromaticContact CE2-CD2 3.93Å; F37-Y110 HydrophobicContact CE2-CD2 3.93Å; F37-Y110 HydrophobicContact CE2-CE2 4.13Å; F37-Y110 HydrophobicContact CG-CD2 4.44Å; F37-Y110 HydrophobicContact CG-CE2 4.06Å; I40-Y110 HydrophobicContact CB-CE2 4.25Å; I40-Y110 HydrophobicContact CG1-CE2 3.88Å; I40-Y110 HydrophobicContact CG2-CD2 4.48Å; I40-Y110 HydrophobicContact CG2-CE2 4.15Å
111K98.6Very high98.2Very high67 Ų6742.2 Ų42.229%0.29120%0.197SC..  trans-82.8154.9171.5-67-179169.1-59.80112S2 H3 D113 L117 D143S2-K111 WeakPolarHBondContact OG-CE 3.28Å; S2-K111 PolarHBondContact OG-NZ 2.99Å; H3-K111 WeakPolarHBondContact O-CG 3.44Å; H3-K111 PolarHBondContact O-N 3.32Å; K111-D113 VanDerWaalsContact C-N 3.26Å; K111-D113 HydrophobicContact CB-CB 4.13Å; K111-D113 PolarHBondContact O-N 3.19Å; K111-D113 VanDerWaalsContact O-N 3.14Å; K111-L117 VanDerWaalsContact O-CD1 3.3Å; K111-L117 WeakPolarHBondContact O-CD1 3.5Å; K111-D143 WeakPolarHBondContact CA-OD1 3.47Å; K111-D143 WeakPolarHBondContact CG-OD2 3.35Å; K111-D143 IonicContact NZ-OD2 3.49Å; K111-D143 PolarHBondContact NZ-OD2 3.03Å
112H98.7Very high98.3Very high0 Ų038.8 Ų38.80%018%0.182CC..  trans-85.963.2169-57.180.4000110.8S119 F133 P138 T139 L142 D143 H146 V148H112-S119 PolarHBondContact NE2-OG 3.28Å; H112-F133 AromaticContact NE2-CZ 3.91Å; H112-P138 CarbonylContact O-C 3.6Å; H112-T139 WeakPolarHBondContact CB-O 3.22Å; H112-T139 VanDerWaalsContact CB-OG1 3.3Å; H112-T139 WeakPolarHBondContact CB-OG1 3.35Å; H112-T139 CarbonylContact O-C 3.43Å; H112-T139 PolarHBondContact O-N 3.48Å; H112-L142 PolarHBondContact CE1-O 3.06Å; H112-D143 IonicContact CG-OD1 3.68Å; H112-D143 PolarHBondContact N-OD1 3.33Å; H112-D143 IonicContact ND1-OD1 2.97Å; H112-D143 PolarHBondContact ND1-OD1 3.31Å; H112-H146 PolarHBondContact CE1-O 3.22Å; H112-V148 WeakPolarHBondContact CE1-CG2 3.17Å; H112-V148 VanDerWaalsContact NE2-CG2 3.3Å; H112-V148 WeakPolarHBondContact NE2-CG2 3.24Å
113D98.4Very high98.1Very high58 Ų5838 Ų3831%0.3120%0.196SC..  trans-97.3-2-166.661.32.6000115.2P4 S5 K111 P138P4-D113 VanDerWaalsContact CA-OD2 3.23Å; P4-D113 WeakPolarHBondContact CA-OD2 3.42Å; S5-D113 VanDerWaalsContact CB-OD1 3.27Å; S5-D113 WeakPolarHBondContact CB-OD1 3.32Å; S5-D113 PolarHBondContact N-OD2 3.33Å; S5-D113 PolarHBondContact OG-OD1 3.17Å; K111-D113 VanDerWaalsContact C-N 3.26Å; K111-D113 HydrophobicContact CB-CB 4.13Å; K111-D113 PolarHBondContact O-N 3.19Å; K111-D113 VanDerWaalsContact O-N 3.14Å; D113-P138 WeakPolarHBondContact O-CG 3.29Å
114R97.9Very high97.8Very high48 Ų4839 Ų3918%0.18121%0.211CC..SBendtrans-154.8172.9178.763-178172.6117.325.4113.7S5 P6 L117 T135 Q151S5-R114 PolarHBondContact OG-NE 3.01Å; P6-R114 PolarHBondContact O-NE 3.43Å; P6-R114 PolarHBondContact O-NH1 2.92Å; P6-R114 PolarHBondContact O-NH2 3.09Å; R114-L117 HydrophobicContact CG-CD1 4.12Å; R114-L117 HydrophobicContact CG-CD2 4.35Å; R114-L117 HydrophobicContact CG-CG 4.04Å; R114-T135 PolarHBondContact O-OG1 3.44Å; R114-Q151 VanDerWaalsContact NH1-OE1 3.07Å
115E98.2Very high97.6Very high69 Ų6943 Ų4332%0.32222%0.22SC..THydrogen-bonded Turntrans-68.4155.3169.870.7170.9178.400111.9L117 T136 R160E115-L117 VanDerWaalsContact C-N 3.34Å; E115-T136 WeakPolarHBondContact CB-O 3.47Å; E115-R160 IonicContact OE1-CZ 3.42Å; E115-R160 IonicContact OE1-NH2 3.86Å; E115-R160 PolarHBondContact OE1-NH2 3.5Å; E115-R160 IonicContact OE2-NE 3.87Å; E115-R160 IonicContact OE2-NH2 2.8Å
116G98.5Very high97.6Very high2 Ų245 Ų452%0.02123%0.231CC..THydrogen-bonded Turntrans77.614.3175.200000114.4T135 Q151 V152G116-T135 PolarHBondContact N-O 3.05Å; G116-T135 PolarHBondContact N-OG1 3.03Å; G116-Q151 CarbonylContact O-C 3.56Å; G116-Q151 VanDerWaalsContact O-CA 3.23Å; G116-Q151 WeakPolarHBondContact O-CA 3.47Å; G116-V152 PolarHBondContact O-N 3.17Å
117L98.9Very high97.6Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-82.2134.9172.3-65.7176.1000110.3K111 R114 E115 I134 T135 V148 Q151K111-L117 VanDerWaalsContact O-CD1 3.3Å; K111-L117 WeakPolarHBondContact O-CD1 3.5Å; R114-L117 HydrophobicContact CG-CD1 4.12Å; R114-L117 HydrophobicContact CG-CD2 4.35Å; R114-L117 HydrophobicContact CG-CG 4.04Å; E115-L117 VanDerWaalsContact C-N 3.34Å; L117-I134 WeakPolarHBondContact O-CA 3.33Å; L117-T135 HydrophobicContact CB-CG2 4.34Å; L117-T135 PolarHBondContact N-OG1 3.02Å; L117-T135 PolarHBondContact O-N 3.36Å; L117-V148 HydrophobicContact CB-CG1 4.44Å; L117-V148 HydrophobicContact CD2-CG1 4.41Å; L117-Q151 HydrophobicContact CD2-CB 4.28Å
118L98.9Very high97.6Very high0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-96.3126.1176.5-177.968.9000109.1L34 L36 F48 F132 I134 F149 G150L34-L118 HydrophobicContact CD1-CD2 4.22Å; L34-L118 HydrophobicContact CD2-CB 4.44Å; L34-L118 HydrophobicContact CD2-CD2 4.28Å; L36-L118 HydrophobicContact CD2-CD2 3.74Å; F48-L118 HydrophobicContact CD1-CD2 4.23Å; F48-L118 HydrophobicContact CE1-CD2 3.85Å; F48-L118 HydrophobicContact CE2-CD1 4.23Å; F48-L118 HydrophobicContact CE2-CD2 4.19Å; F48-L118 HydrophobicContact CZ-CD1 4.05Å; F48-L118 HydrophobicContact CZ-CD2 3.8Å; L118-F132 HydrophobicContact CD1-CB 4.21Å; L118-F132 HydrophobicContact CD1-CD2 3.43Å; L118-F132 VanDerWaalsContact CD1-CD2 3.43Å; L118-F132 HydrophobicContact CD1-CE2 4.09Å; L118-F132 HydrophobicContact CD1-CG 4.09Å; L118-I134 HydrophobicContact CD1-CD1 4.47Å; L118-I134 HydrophobicContact CD1-CG1 3.74Å; L118-F149 HydrophobicContact CD1-CZ 4.06Å; L118-F149 HydrophobicContact CD2-CD2 3.95Å; L118-F149 HydrophobicContact CD2-CE1 4.36Å; L118-F149 HydrophobicContact CD2-CE2 3.23Å; L118-F149 HydrophobicContact CD2-CZ 3.5Å; L118-F149 VanDerWaalsContact CD2-CZ 3.5Å; L118-F149 HydrophobicContact CG-CD1 4.47Å; L118-F149 HydrophobicContact CG-CD2 4.32Å; L118-F149 HydrophobicContact CG-CE1 3.85Å; L118-F149 HydrophobicContact CG-CE2 3.66Å; L118-F149 HydrophobicContact CG-CZ 3.4Å; L118-F149 VanDerWaalsContact CG-CZ 3.4Å; L118-F149 PolarHBondContact O-N 2.9Å; L118-G150 PolarHBondContact N-O 3.2Å; L118-G150 PolarHBondContact O-N 3.35Å
119S98.9Very high97.7Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-145.2150.8-172.5-171.70000112.2H112 F132 F133 H146 V147 F149H112-S119 PolarHBondContact NE2-OG 3.28Å; S119-F132 CarbonylContact O-C 3.45Å; S119-F132 WeakPolarHBondContact O-CA 3.42Å; S119-F133 PolarHBondContact N-O 3.14Å; S119-F133 PolarHBondContact O-N 2.9Å; S119-F133 WeakPolarHBondContact OG-CZ 3.19Å; S119-H146 WeakPolarHBondContact OG-CB 3.21Å; S119-V147 VanDerWaalsContact CA-O 3.3Å; S119-V147 WeakPolarHBondContact CA-O 3.18Å; S119-V147 PolarHBondContact OG-O 3.38Å; S119-V147 VanDerWaalsContact OG-O 3.1Å; S119-F149 VanDerWaalsContact C-CE1 3.45Å
120M98.8Very high97.7Very high1 Ų136.4 Ų36.41%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-74.9130.7-175.8-72.9-56.2-6600111.5T44 F103 N128 G129 Q131 F133 H146 V147 F149T44-M120 HydrophobicContact CG2-CG 3.59Å; T44-M120 HydrophobicContact CG2-SD 3.98Å; F103-M120 HydrophobicContact CE1-CE 4.06Å; F103-M120 HydrophobicContact CZ-CE 4.05Å; M120-N128 VanDerWaalsContact CB-OD1 3.29Å; M120-N128 WeakPolarHBondContact CB-OD1 3.45Å; M120-N128 HydrophobicContact CE-CB 3.85Å; M120-G129 VanDerWaalsContact CE-O 3.28Å; M120-G129 WeakPolarHBondContact CE-O 3.47Å; M120-Q131 WeakPolarHBondContact CE-O 3.49Å; M120-F133 WeakPolarHBondContact O-CE1 3.37Å; M120-H146 WeakPolarHBondContact O-CB 3.43Å; M120-H146 PolarHBondContact O-ND1 3.47Å; M120-V147 HydrophobicContact CB-CB 4.42Å; M120-V147 HydrophobicContact CG-CB 4.3Å; M120-V147 PolarHBondContact N-O 3.42Å; M120-F149 HydrophobicContact CB-CE1 4.49Å; M120-F149 HydrophobicContact CG-CD1 3.79Å; M120-F149 HydrophobicContact CG-CE1 3.73Å; M120-F149 HydrophobicContact SD-CD1 4.04Å; M120-F149 HydrophobicContact SD-CE1 3.44Å; M120-F149 WeakPolarHBondContact SD-CE1 3.49Å; M120-F149 HydrophobicContact SD-CZ 3.91Å
121A98.4Very high97.7Very high11 Ų1136.1 Ų36.19%0.09120%0.195CC..  trans-79.7142.616400000109.4Q131 F133A121-Q131 HydrophobicContact CB-CB 3.8Å; A121-Q131 PolarHBondContact N-O 3.28Å; A121-F133 HydrophobicContact CB-CD1 4.35Å
122N96.1Very high97.7Very high40 Ų4033 Ų3321%0.21418%0.181CC..  trans-149.5167.4178.867.642.9000111.1G124 T127 K145 H146N122-G124 PolarHBondContact OD1-N 3.39Å; N122-T127 WeakPolarHBondContact CB-OG1 3.45Å; N122-K145 PolarHBondContact ND2-O 3.15Å; N122-H146 PolarHBondContact ND2-ND1 3.03Å; N122-H146 PolarHBondContact OD1-CE1 2.93Å
123A94.2Very high97.7Very high92 Ų9233.4 Ų33.476%0.7618%0.183SC*.SBendtrans-109.836.9175.700000111.1T127A123-T127 PolarHBondContact N-OG1 3.46Å
124G92.5Very high97.8Very high36 Ų3630.6 Ų30.637%0.37117%0.168SC..SBendtrans113.9178.3-172.100000112.9N122 N126 T127N122-G124 PolarHBondContact OD1-N 3.39Å; G124-N126 PolarHBondContact O-N 2.73Å; G124-T127 PolarHBondContact N-OG1 2.93Å; G124-T127 PolarHBondContact O-N 2.93Å; G124-T127 PolarHBondContact O-OG1 2.89Å
125R94.7Very high97.8Very high206 Ų20628.3 Ų28.378%0.77716%0.16SC*.THydrogen-bonded Turntrans-55135.7-173.4-168.7176.8-178.2177.5-0.2111.9D105 T127D105-R125 WeakPolarHBondContact OD2-CA 3.28Å; D105-R125 WeakPolarHBondContact OD2-CG 3.24Å; R125-T127 VanDerWaalsContact C-N 3.32Å; R125-T127 PolarHBondContact O-N 3.46Å
126N97.1Very high97.8Very high64 Ų6425.5 Ų25.534%0.34215%0.147SC..THydrogen-bonded Turntrans57.638.5176.8-60-21.8000114.2F103 E104 D105 G124F103-N126 CarbonylContact O-C 3.59Å; E104-N126 HydrophobicContact CB-CB 4.39Å; E104-N126 HydrophobicContact CG-CB 4.33Å; D105-N126 PolarHBondContact N-OD1 2.92Å; D105-N126 PolarHBondContact OD2-N 3.41Å; D105-N126 PolarHBondContact OD2-OD1 3.46Å; G124-N126 PolarHBondContact O-N 2.73Å
127T98.1Very high97.8Very high29 Ų2927.4 Ų27.418%0.17816%0.158CC..  trans-121.93317864.60000113.1K102 N122 A123 G124 R125 G129K102-T127 HydrophobicContact CD-CG2 3.99Å; N122-T127 WeakPolarHBondContact CB-OG1 3.45Å; A123-T127 PolarHBondContact N-OG1 3.46Å; G124-T127 PolarHBondContact N-OG1 2.93Å; G124-T127 PolarHBondContact O-N 2.93Å; G124-T127 PolarHBondContact O-OG1 2.89Å; R125-T127 VanDerWaalsContact C-N 3.32Å; R125-T127 PolarHBondContact O-N 3.46Å; T127-G129 PolarHBondContact O-N 3.36Å
128N98.7Very high97.8Very high0 Ų031 Ų310%018%0.181CC..BIsolated β-bridgetrans-70.1130177.7-60-58.2000109.9K102 F103 E104 D105 M120K102-N128 CarbonylContact C-O 3.57Å; K102-N128 WeakPolarHBondContact CA-O 3.42Å; F103-N128 HydrophobicContact CD1-CB 3.73Å; F103-N128 WeakPolarHBondContact CD1-O 3.5Å; F103-N128 HydrophobicContact CD2-CB 4.16Å; F103-N128 HydrophobicContact CE1-CB 3.41Å; F103-N128 VanDerWaalsContact CE1-CB 3.41Å; F103-N128 HydrophobicContact CE2-CB 3.87Å; F103-N128 HydrophobicContact CG-CB 4.1Å; F103-N128 HydrophobicContact CZ-CB 3.49Å; F103-N128 VanDerWaalsContact CZ-CB 3.49Å; F103-N128 PolarHBondContact N-O 2.78Å; F103-N128 WeakPolarHBondContact O-CB 3.37Å; F103-N128 PolarHBondContact O-N 3.35Å; F103-N128 VanDerWaalsContact O-N 3.12Å; F103-N128 PolarHBondContact O-ND2 3.44Å; E104-N128 VanDerWaalsContact C-ND2 3.33Å; E104-N128 PolarHBondContact O-ND2 3.15Å; D105-N128 WeakPolarHBondContact CA-ND2 3.3Å; D105-N128 PolarHBondContact N-ND2 2.89Å; D105-N128 PolarHBondContact OD1-ND2 3.37Å; M120-N128 VanDerWaalsContact CB-OD1 3.29Å; M120-N128 WeakPolarHBondContact CB-OD1 3.45Å; M120-N128 HydrophobicContact CE-CB 3.85Å
129G98.6Very high97.8Very high10 Ų1031 Ų3110%0.10318%0.182CC..  trans-120.9-119.5176.100000110.7N47 F103 M120 T127N47-G129 PolarHBondContact ND2-O 3.12Å; N47-G129 VanDerWaalsContact ND2-O 3.11Å; F103-G129 WeakPolarHBondContact CE1-O 3.19Å; M120-G129 VanDerWaalsContact CE-O 3.28Å; M120-G129 WeakPolarHBondContact CE-O 3.47Å; T127-G129 PolarHBondContact O-N 3.36Å
130S98.8Very high97.8Very high2 Ų234.9 Ų34.91%0.01421%0.206CC..SBendtrans-105.6-14.6172.156.10000114.3F68 G85 F87 G95 E96F68-S130 WeakPolarHBondContact CE1-O 3.39Å; F68-S130 WeakPolarHBondContact CZ-O 3.48Å; G85-S130 CarbonylContact O-C 3.41Å; G85-S130 VanDerWaalsContact O-CB 3.32Å; G85-S130 WeakPolarHBondContact O-CB 3.37Å; G85-S130 PolarHBondContact O-OG 3.2Å; F87-S130 WeakPolarHBondContact CE1-OG 3.4Å; G95-S130 WeakPolarHBondContact CA-OG 3.2Å; E96-S130 PolarHBondContact N-OG 3.37Å; E96-S130 WeakPolarHBondContact O-CB 3.45Å
131Q98.9Very high97.7Very high24 Ų2440 Ų4011%0.11223%0.23CC..  trans-72.3141.4-176.4-68.1-172.451.200111.9H74 G84 D86 G92 G94 M120 A121H74-Q131 PolarHBondContact CE1-OE1 3.39Å; H74-Q131 PolarHBondContact NE2-OE1 2.84Å; G84-Q131 VanDerWaalsContact O-CA 3.3Å; G84-Q131 WeakPolarHBondContact O-CA 3.49Å; D86-Q131 HydrophobicContact CB-CG 3.98Å; G92-Q131 PolarHBondContact O-NE2 3.29Å; G94-Q131 PolarHBondContact O-NE2 3.13Å; M120-Q131 WeakPolarHBondContact CE-O 3.49Å; A121-Q131 HydrophobicContact CB-CB 3.8Å; A121-Q131 PolarHBondContact N-O 3.28Å
132F98.9Very high97.7Very high0 Ų040.3 Ų40.30%023%0.23CC..EExtended strand (participates in β ladder)trans-142.5164.4-177.469.5-88.8000110.3F20 F48 F68 F73 Q83 G84 L118 S119 I134 F149 I178F20-F132 HydrophobicContact CD2-CZ 4.43Å; F20-F132 HydrophobicContact CE2-CE1 4.21Å; F20-F132 AromaticContact CE2-CE2 3.9Å; F20-F132 HydrophobicContact CE2-CE2 3.9Å; F20-F132 AromaticContact CE2-CZ 3.44Å; F20-F132 HydrophobicContact CE2-CZ 3.44Å; F20-F132 VanDerWaalsContact CE2-CZ 3.44Å; F20-F132 HydrophobicContact CZ-CE1 4.18Å; F20-F132 AromaticContact CZ-CZ 3.86Å; F20-F132 HydrophobicContact CZ-CZ 3.86Å; F48-F132 HydrophobicContact CD2-CD1 4.5Å; F48-F132 HydrophobicContact CE2-CB 3.95Å; F48-F132 AromaticContact CE2-CD1 3.5Å; F48-F132 HydrophobicContact CE2-CD1 3.5Å; F48-F132 VanDerWaalsContact CE2-CD1 3.5Å; F48-F132 HydrophobicContact CE2-CD2 4.16Å; F48-F132 AromaticContact CE2-CE1 3.94Å; F48-F132 HydrophobicContact CE2-CE1 3.94Å; F48-F132 AromaticContact CE2-CG 3.6Å; F48-F132 HydrophobicContact CE2-CG 3.6Å; F48-F132 HydrophobicContact CE2-CZ 4.45Å; F48-F132 HydrophobicContact CZ-CD1 4.18Å; F48-F132 HydrophobicContact CZ-CD2 4.39Å; F48-F132 HydrophobicContact CZ-CE1 4.22Å; F48-F132 HydrophobicContact CZ-CE2 4.44Å; F48-F132 HydrophobicContact CZ-CG 4.25Å; F48-F132 HydrophobicContact CZ-CZ 4.35Å; F68-F132 HydrophobicContact CE1-CD1 4.29Å; F68-F132 HydrophobicContact CE1-CE1 4.2Å; F68-F132 HydrophobicContact CZ-CD1 4.11Å; F68-F132 HydrophobicContact CZ-CE1 4.22Å; F73-F132 HydrophobicContact CE1-CE2 4.19Å; F73-F132 HydrophobicContact CE1-CZ 4.17Å; Q83-F132 WeakPolarHBondContact CA-O 3.45Å; Q83-F132 WeakPolarHBondContact CG-O 3.41Å; G84-F132 PolarHBondContact N-O 3.34Å; G84-F132 PolarHBondContact O-N 3.1Å; G84-F132 VanDerWaalsContact O-N 3.11Å; L118-F132 HydrophobicContact CD1-CB 4.21Å; L118-F132 HydrophobicContact CD1-CD2 3.43Å; L118-F132 VanDerWaalsContact CD1-CD2 3.43Å; L118-F132 HydrophobicContact CD1-CE2 4.09Å; L118-F132 HydrophobicContact CD1-CG 4.09Å; S119-F132 CarbonylContact O-C 3.45Å; S119-F132 WeakPolarHBondContact O-CA 3.42Å; F132-I134 HydrophobicContact CD2-CG1 4.36Å; F132-I134 HydrophobicContact CE2-CD1 4.31Å; F132-I134 HydrophobicContact CE2-CG1 4.23Å; F132-F149 HydrophobicContact CB-CZ 4.32Å; F132-I178 HydrophobicContact CE1-CD1 4.32Å; F132-I178 HydrophobicContact CZ-CD1 4.06Å
133F98.9Very high97.8Very high9 Ų940.3 Ų40.34%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-134153.6165.862.4-88.7000111.8M81 I82 Q83 H112 S119 M120 A121 T135 L142 H146M81-F133 HydrophobicContact CB-CB 4.22Å; M81-F133 HydrophobicContact CB-CD2 3.96Å; M81-F133 HydrophobicContact CB-CG 4.44Å; M81-F133 HydrophobicContact CG-CB 4.28Å; M81-F133 HydrophobicContact CG-CD2 4.3Å; M81-F133 HydrophobicContact CG-CG 4.47Å; M81-F133 HydrophobicContact SD-CB 3.82Å; M81-F133 HydrophobicContact SD-CG 4.49Å; I82-F133 CarbonylContact O-C 3.55Å; I82-F133 WeakPolarHBondContact O-CA 3.38Å; I82-F133 WeakPolarHBondContact O-CB 3.41Å; Q83-F133 HydrophobicContact CB-CB 4.06Å; H112-F133 AromaticContact NE2-CZ 3.91Å; S119-F133 PolarHBondContact N-O 3.14Å; S119-F133 PolarHBondContact O-N 2.9Å; S119-F133 WeakPolarHBondContact OG-CZ 3.19Å; M120-F133 WeakPolarHBondContact O-CE1 3.37Å; A121-F133 HydrophobicContact CB-CD1 4.35Å; F133-T135 HydrophobicContact CD2-CG2 4.13Å; F133-T135 HydrophobicContact CE2-CG2 3.87Å; F133-L142 HydrophobicContact CE2-CD1 3.73Å; F133-L142 HydrophobicContact CZ-CD1 3.63Å; F133-H146 HydrophobicContact CE1-CB 4.09Å; F133-H146 AromaticContact CE1-CG 3.92Å; F133-H146 AromaticContact CE1-ND1 3.87Å; F133-H146 HydrophobicContact CZ-CB 4Å
134I98.9Very high98Very high0 Ų038.1 Ų38.10%022%0.217CC..EExtended strand (participates in β ladder)trans-109.9124.5169.4-57.4170.7000107.4L34 M81 I82 L117 L118 F132 V152 T159L34-I134 HydrophobicContact CD2-CD1 4.15Å; M81-I134 VanDerWaalsContact CA-O 3.26Å; M81-I134 WeakPolarHBondContact CA-O 3.37Å; M81-I134 WeakPolarHBondContact CB-O 3.43Å; I82-I134 HydrophobicContact CD1-CB 4.21Å; I82-I134 HydrophobicContact CD1-CD1 4.28Å; I82-I134 HydrophobicContact CG1-CB 3.82Å; I82-I134 PolarHBondContact N-O 3.5Å; I82-I134 PolarHBondContact O-N 3.09Å; L117-I134 WeakPolarHBondContact O-CA 3.33Å; L118-I134 HydrophobicContact CD1-CD1 4.47Å; L118-I134 HydrophobicContact CD1-CG1 3.74Å; F132-I134 HydrophobicContact CD2-CG1 4.36Å; F132-I134 HydrophobicContact CE2-CD1 4.31Å; F132-I134 HydrophobicContact CE2-CG1 4.23Å; I134-V152 HydrophobicContact CD1-CG2 4.42Å; I134-V152 HydrophobicContact CG2-CG2 3.78Å; I134-T159 HydrophobicContact CG2-CG2 3.91Å
135T98.8Very high98.2Very high0 Ų042.2 Ų42.20%022%0.224CC..EExtended strand (participates in β ladder)trans-70144.4178.363.10000110.9R114 G116 L117 F133 V137 T139R114-T135 PolarHBondContact O-OG1 3.44Å; G116-T135 PolarHBondContact N-O 3.05Å; G116-T135 PolarHBondContact N-OG1 3.03Å; L117-T135 HydrophobicContact CB-CG2 4.34Å; L117-T135 PolarHBondContact N-OG1 3.02Å; L117-T135 PolarHBondContact O-N 3.36Å; F133-T135 HydrophobicContact CD2-CG2 4.13Å; F133-T135 HydrophobicContact CE2-CG2 3.87Å; T135-V137 WeakPolarHBondContact CB-O 3.48Å; T135-T139 HydrophobicContact CG2-CG2 4.47Å; T135-T139 WeakPolarHBondContact CG2-OG1 3.47Å
136T98.4Very high98.4Very high9 Ų933.9 Ų33.96%0.05519%0.194CC..SBendtrans-111.3-5.5172.4620000112.5F80 E115 T159 E163F80-T136 PolarHBondContact N-OG1 2.87Å; F80-T136 VanDerWaalsContact N-OG1 3.14Å; F80-T136 PolarHBondContact O-N 3.13Å; F80-T136 PolarHBondContact O-OG1 3.09Å; E115-T136 WeakPolarHBondContact CB-O 3.47Å; T136-T159 HydrophobicContact CG2-CG2 4.01Å; T136-E163 WeakPolarHBondContact CB-OE1 3.41Å; T136-E163 HydrophobicContact CG2-CB 3.95Å; T136-E163 HydrophobicContact CG2-CG 3.89Å; T136-E163 PolarHBondContact OG1-OE1 3Å
137V98.6Very high98.5Very high42 Ų4230.9 Ų30.926%0.25518%0.178SC..SBendtrans-149.1168174.2-63.80000109.1K79 T135 T139K79-V137 HydrophobicContact CB-CG1 4.35Å; K79-V137 VanDerWaalsContact O-CG2 3.22Å; K79-V137 WeakPolarHBondContact O-CG2 3.42Å; T135-V137 WeakPolarHBondContact CB-O 3.48Å; V137-T139 HydrophobicContact CG2-CG2 4.14Å; V137-T139 PolarHBondContact O-N 3.2Å
138P98.6Very high98.5Very high76 Ų7629.6 Ų29.649%0.49417%0.17SC..  trans-57134166.1-21.431.2000111.8H112 D113 P140H112-P138 CarbonylContact O-C 3.6Å; D113-P138 WeakPolarHBondContact O-CG 3.29Å; P138-P140 VanDerWaalsContact C-CD 3.48Å
139T98.4Very high98.5Very high1 Ų129.6 Ų29.61%0.00617%0.17CC..  trans-131.355.6-177.150.70000112.8F80 H112 T135 V137 H141 L142F80-T139 HydrophobicContact CD2-CG2 3.42Å; F80-T139 VanDerWaalsContact CD2-CG2 3.42Å; F80-T139 HydrophobicContact CE2-CG2 3.52Å; H112-T139 WeakPolarHBondContact CB-O 3.22Å; H112-T139 VanDerWaalsContact CB-OG1 3.3Å; H112-T139 WeakPolarHBondContact CB-OG1 3.35Å; H112-T139 CarbonylContact O-C 3.43Å; H112-T139 PolarHBondContact O-N 3.48Å; T135-T139 HydrophobicContact CG2-CG2 4.47Å; T135-T139 WeakPolarHBondContact CG2-OG1 3.47Å; V137-T139 HydrophobicContact CG2-CG2 4.14Å; V137-T139 PolarHBondContact O-N 3.2Å; T139-H141 PolarHBondContact O-N 2.89Å; T139-L142 WeakPolarHBondContact O-CB 3.49Å; T139-L142 PolarHBondContact O-N 3.28Å
140P98.3Very high98.6Very high80 Ų8029.1 Ų29.152%0.51917%0.165SC..G310 helixtrans-63-17-171.527-37.1000114.6P138 L142 D143P138-P140 VanDerWaalsContact C-CD 3.48Å; P140-L142 PolarHBondContact O-N 2.96Å; P140-D143 VanDerWaalsContact O-CB 3.29Å; P140-D143 WeakPolarHBondContact O-CB 3.35Å; P140-D143 PolarHBondContact O-N 3.3Å; P140-D143 VanDerWaalsContact O-N 3.1Å
141H98Very high98.6Very high108 Ų10829.1 Ų29.150%0.517%0.165SC..G310 helixtrans-67.5-11.6174.361.9-85.9000113.5F80 T139 K145F80-H141 AromaticContact CE2-CE1 3.55Å; F80-H141 AromaticContact CE2-NE2 3.34Å; F80-H141 VanDerWaalsContact CE2-NE2 3.34Å; F80-H141 WeakPolarHBondContact CE2-NE2 3.49Å; F80-H141 AromaticContact CZ-NE2 3.68Å; T139-H141 PolarHBondContact O-N 2.89Å; H141-K145 PolarHBondContact O-NZ 2.97Å
142L98.2Very high98.5Very high18 Ų1828 Ų289%0.09416%0.16CC..G310 helixtrans-93.3-9.2174-55-175.3000113F80 H112 F133 T139 P140 G144 K145 H146F80-L142 HydrophobicContact CE2-CD1 3.97Å; F80-L142 HydrophobicContact CZ-CD1 4.13Å; F80-L142 HydrophobicContact CZ-CD2 4.46Å; H112-L142 PolarHBondContact CE1-O 3.06Å; F133-L142 HydrophobicContact CE2-CD1 3.73Å; F133-L142 HydrophobicContact CZ-CD1 3.63Å; T139-L142 WeakPolarHBondContact O-CB 3.49Å; T139-L142 PolarHBondContact O-N 3.28Å; P140-L142 PolarHBondContact O-N 2.96Å; L142-G144 PolarHBondContact O-N 3.44Å; L142-K145 WeakPolarHBondContact O-CB 3.39Å; L142-K145 PolarHBondContact O-N 3.01Å; L142-K145 VanDerWaalsContact O-N 3.07Å; L142-H146 PolarHBondContact O-N 3.05Å
143D98.3Very high98.5Very high40 Ų4028.6 Ų28.621%0.21416%0.163CC..THydrogen-bonded Turntrans-58.2134.6177.7-72.9-2000110.9K111 H112 P140 K145K111-D143 WeakPolarHBondContact CA-OD1 3.47Å; K111-D143 WeakPolarHBondContact CG-OD2 3.35Å; K111-D143 IonicContact NZ-OD2 3.49Å; K111-D143 PolarHBondContact NZ-OD2 3.03Å; H112-D143 IonicContact CG-OD1 3.68Å; H112-D143 PolarHBondContact N-OD1 3.33Å; H112-D143 IonicContact ND1-OD1 2.97Å; H112-D143 PolarHBondContact ND1-OD1 3.31Å; P140-D143 VanDerWaalsContact O-CB 3.29Å; P140-D143 WeakPolarHBondContact O-CB 3.35Å; P140-D143 PolarHBondContact O-N 3.3Å; P140-D143 VanDerWaalsContact O-N 3.1Å; D143-K145 PolarHBondContact O-N 3.02Å
144G97.4Very high98.5Very high46 Ų4629.5 Ų29.547%0.47417%0.167SC..THydrogen-bonded Turntrans744.1-17800000115F108 L142F108-G144 WeakPolarHBondContact CZ-O 3.48Å; L142-G144 PolarHBondContact O-N 3.44Å
145K98.1Very high98.4Very high122 Ų12229.6 Ų29.653%0.5317%0.168SC..THydrogen-bonded Turntrans-119.3-31.7179.3-59.5174.8-173.3161.80113.2N122 H141 L142 D143N122-K145 PolarHBondContact ND2-O 3.15Å; H141-K145 PolarHBondContact O-NZ 2.97Å; L142-K145 WeakPolarHBondContact O-CB 3.39Å; L142-K145 PolarHBondContact O-N 3.01Å; L142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 PolarHBondContact O-N 3.02Å
146H98.7Very high98.3Very high32 Ų3230.2 Ų30.215%0.14817%0.171CC..SBendtrans-125.8135.3-179.8-63-83.4000109.9H112 S119 M120 N122 F133 L142 V148H112-H146 PolarHBondContact CE1-O 3.22Å; S119-H146 WeakPolarHBondContact OG-CB 3.21Å; M120-H146 WeakPolarHBondContact O-CB 3.43Å; M120-H146 PolarHBondContact O-ND1 3.47Å; N122-H146 PolarHBondContact ND2-ND1 3.03Å; N122-H146 PolarHBondContact OD1-CE1 2.93Å; F133-H146 HydrophobicContact CE1-CB 4.09Å; F133-H146 AromaticContact CE1-CG 3.92Å; F133-H146 AromaticContact CE1-ND1 3.87Å; F133-H146 HydrophobicContact CZ-CB 4Å; L142-H146 PolarHBondContact O-N 3.05Å; H146-V148 PolarHBondContact O-N 2.92Å
147V98.8Very high98.2Very high0 Ų029.9 Ų29.90%017%0.169CC..  trans-77.1112179.6-179.90000108.7V41 T44 D105 F108 S119 M120 F149V41-V147 HydrophobicContact CG1-CG1 3.98Å; T44-V147 HydrophobicContact CG2-CG1 4.08Å; D105-V147 HydrophobicContact CB-CG2 3.96Å; F108-V147 HydrophobicContact CD1-CG2 4.49Å; F108-V147 HydrophobicContact CE1-CG2 4.14Å; S119-V147 VanDerWaalsContact CA-O 3.3Å; S119-V147 WeakPolarHBondContact CA-O 3.18Å; S119-V147 PolarHBondContact OG-O 3.38Å; S119-V147 VanDerWaalsContact OG-O 3.1Å; M120-V147 HydrophobicContact CB-CB 4.42Å; M120-V147 HydrophobicContact CG-CB 4.3Å; M120-V147 PolarHBondContact N-O 3.42Å; V147-F149 HydrophobicContact CG1-CB 4.49Å; V147-F149 WeakPolarHBondContact O-CD1 3.25Å
148V98.9Very high98.2Very high3 Ų328 Ų282%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-75.9123.6168.9177.80000108.3F37 H112 L117 H146F37-V148 HydrophobicContact CE2-CG1 4.2Å; H112-V148 WeakPolarHBondContact CE1-CG2 3.17Å; H112-V148 VanDerWaalsContact NE2-CG2 3.3Å; H112-V148 WeakPolarHBondContact NE2-CG2 3.24Å; L117-V148 HydrophobicContact CB-CG1 4.44Å; L117-V148 HydrophobicContact CD2-CG1 4.41Å; H146-V148 PolarHBondContact O-N 2.92Å
149F98.9Very high98.1Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-136.25.9-171.772.4-89.6000115L36 F37 V41 T44 F48 L118 S119 M120 F132 V147L36-F149 CarbonylContact C-O 3.6Å; L36-F149 WeakPolarHBondContact CA-O 3.22Å; L36-F149 HydrophobicContact CD2-CD2 4.27Å; L36-F149 HydrophobicContact CD2-CE2 4.13Å; F37-F149 VanDerWaalsContact CD2-C 3.42Å; F37-F149 PolarHBondContact N-O 3.29Å; V41-F149 HydrophobicContact CG2-CB 3.53Å; T44-F149 HydrophobicContact CG2-CB 3.55Å; T44-F149 HydrophobicContact CG2-CD1 3.72Å; T44-F149 HydrophobicContact CG2-CD2 4.12Å; T44-F149 HydrophobicContact CG2-CE1 4.41Å; T44-F149 HydrophobicContact CG2-CG 3.54Å; F48-F149 HydrophobicContact CB-CD2 4.34Å; F48-F149 HydrophobicContact CB-CE2 3.53Å; F48-F149 HydrophobicContact CB-CZ 4.2Å; F48-F149 HydrophobicContact CD1-CE2 4.1Å; F48-F149 AromaticContact CD2-CE2 3.51Å; F48-F149 HydrophobicContact CD2-CE2 3.51Å; F48-F149 AromaticContact CD2-CZ 3.4Å; F48-F149 HydrophobicContact CD2-CZ 3.4Å; F48-F149 HydrophobicContact CE2-CE2 4.13Å; F48-F149 AromaticContact CE2-CZ 3.79Å; F48-F149 HydrophobicContact CE2-CZ 3.79Å; F48-F149 AromaticContact CG-CE2 3.45Å; F48-F149 HydrophobicContact CG-CE2 3.45Å; F48-F149 VanDerWaalsContact CG-CE2 3.45Å; F48-F149 AromaticContact CG-CZ 3.88Å; F48-F149 HydrophobicContact CG-CZ 3.88Å; L118-F149 HydrophobicContact CD1-CZ 4.06Å; L118-F149 HydrophobicContact CD2-CD2 3.95Å; L118-F149 HydrophobicContact CD2-CE1 4.36Å; L118-F149 HydrophobicContact CD2-CE2 3.23Å; L118-F149 HydrophobicContact CD2-CZ 3.5Å; L118-F149 VanDerWaalsContact CD2-CZ 3.5Å; L118-F149 HydrophobicContact CG-CD1 4.47Å; L118-F149 HydrophobicContact CG-CD2 4.32Å; L118-F149 HydrophobicContact CG-CE1 3.85Å; L118-F149 HydrophobicContact CG-CE2 3.66Å; L118-F149 HydrophobicContact CG-CZ 3.4Å; L118-F149 VanDerWaalsContact CG-CZ 3.4Å; L118-F149 PolarHBondContact O-N 2.9Å; S119-F149 VanDerWaalsContact C-CE1 3.45Å; M120-F149 HydrophobicContact CB-CE1 4.49Å; M120-F149 HydrophobicContact CG-CD1 3.79Å; M120-F149 HydrophobicContact CG-CE1 3.73Å; M120-F149 HydrophobicContact SD-CD1 4.04Å; M120-F149 HydrophobicContact SD-CE1 3.44Å; M120-F149 WeakPolarHBondContact SD-CE1 3.49Å; M120-F149 HydrophobicContact SD-CZ 3.91Å; F132-F149 HydrophobicContact CB-CZ 4.32Å; V147-F149 HydrophobicContact CG1-CB 4.49Å; V147-F149 WeakPolarHBondContact O-CD1 3.25Å
150G98.8Very high98.1Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-172.6-175.2174.200000113.8E35 F37 L118E35-G150 CarbonylContact O-C 3.56Å; E35-G150 WeakPolarHBondContact O-CA 3.45Å; F37-G150 VanDerWaalsContact CD2-N 3.3Å; F37-G150 VanDerWaalsContact CE2-C 3.45Å; F37-G150 VanDerWaalsContact CE2-CA 3.47Å; F37-G150 WeakPolarHBondContact CE2-O 3.41Å; F37-G150 VanDerWaalsContact CZ-C 3.5Å; L118-G150 PolarHBondContact N-O 3.2Å; L118-G150 PolarHBondContact O-N 3.35Å
151Q98.9Very high98.1Very high1 Ų128.2 Ų28.21%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-148.4154174.362171.3-33.100112.6V8 L34 E35 F37 R114 G116 L117 I153V8-Q151 PolarHBondContact O-NE2 3.3Å; L34-Q151 CarbonylContact C-O 3.5Å; L34-Q151 VanDerWaalsContact CA-O 3.29Å; L34-Q151 WeakPolarHBondContact CA-O 3.47Å; E35-Q151 HydrophobicContact CB-CG 4.13Å; E35-Q151 PolarHBondContact N-O 3.47Å; E35-Q151 PolarHBondContact O-N 3.33Å; E35-Q151 PolarHBondContact OE2-NE2 2.87Å; F37-Q151 HydrophobicContact CE1-CB 4.48Å; F37-Q151 HydrophobicContact CE1-CG 3.86Å; F37-Q151 HydrophobicContact CZ-CB 3.88Å; F37-Q151 HydrophobicContact CZ-CG 3.75Å; R114-Q151 VanDerWaalsContact NH1-OE1 3.07Å; G116-Q151 CarbonylContact O-C 3.56Å; G116-Q151 VanDerWaalsContact O-CA 3.23Å; G116-Q151 WeakPolarHBondContact O-CA 3.47Å; L117-Q151 HydrophobicContact CD2-CB 4.28Å; Q151-I153 HydrophobicContact CG-CG2 3.97Å; Q151-I153 PolarHBondContact O-N 2.95Å
152V98.7Very high98.1Very high1 Ų123.1 Ų23.11%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-72.3116.6168.5-179.70000109.5K9 I32 L34 G116 I134 K154 I156K9-V152 WeakPolarHBondContact CE-O 3.18Å; K9-V152 PolarHBondContact NZ-O 3.43Å; I32-V152 HydrophobicContact CG2-CG1 4.04Å; I32-V152 HydrophobicContact CG2-CG2 4.05Å; L34-V152 HydrophobicContact CD2-CB 4.43Å; L34-V152 HydrophobicContact CD2-CG2 3.65Å; G116-V152 PolarHBondContact O-N 3.17Å; I134-V152 HydrophobicContact CD1-CG2 4.42Å; I134-V152 HydrophobicContact CG2-CG2 3.78Å; V152-K154 VanDerWaalsContact CG1-O 3.31Å; V152-K154 WeakPolarHBondContact CG1-O 3.37Å; V152-I156 HydrophobicContact CB-CD1 4.06Å; V152-I156 HydrophobicContact CG1-CB 4.13Å; V152-I156 HydrophobicContact CG1-CD1 4.09Å; V152-I156 HydrophobicContact CG2-CD1 4.28Å
153I98.1Very high98.1Very high12 Ų1223.2 Ų23.26%0.06212%0.119CC..EExtended strand (participates in β ladder)trans-101.4-26.3177.560.5172.6000113.3K9 R17 V33 E35 Q151 W190K9-I153 HydrophobicContact CB-CB 4.24Å; K9-I153 HydrophobicContact CB-CG2 3.91Å; K9-I153 HydrophobicContact CG-CG2 4.17Å; R17-I153 HydrophobicContact CG-CD1 3.9Å; V33-I153 HydrophobicContact CB-CG1 4.05Å; V33-I153 HydrophobicContact CG1-CD1 3.88Å; V33-I153 HydrophobicContact CG1-CG1 3.82Å; V33-I153 WeakPolarHBondContact O-CG1 3.41Å; V33-I153 PolarHBondContact O-N 2.91Å; E35-I153 HydrophobicContact CB-CD1 4.38Å; E35-I153 HydrophobicContact CB-CG2 3.7Å; Q151-I153 HydrophobicContact CG-CG2 3.97Å; Q151-I153 PolarHBondContact O-N 2.95Å; I153-W190 HydrophobicContact CD1-CH2 3.98Å; I153-W190 HydrophobicContact CD1-CZ3 3.72Å; I153-W190 HydrophobicContact CG1-CZ3 4.48Å
154K98Very high98.1Very high29 Ų2925.3 Ų25.313%0.12613%0.13CC..EExtended strand (participates in β ladder)trans-140.6149.8168.3-58.2-72.2-174.2171.70110.1V33 V152 W190 I192 D208V33-K154 HydrophobicContact CB-CB 3.93Å; V33-K154 HydrophobicContact CB-CG 4.43Å; V33-K154 HydrophobicContact CG2-CB 3.96Å; V33-K154 PolarHBondContact N-O 2.96Å; V33-K154 PolarHBondContact O-N 3.32Å; V152-K154 VanDerWaalsContact CG1-O 3.31Å; V152-K154 WeakPolarHBondContact CG1-O 3.37Å; K154-W190 HydrophobicContact CG-CE3 4.27Å; K154-I192 HydrophobicContact CB-CG2 4.05Å; K154-I192 HydrophobicContact CD-CD1 4.13Å; K154-I192 HydrophobicContact CG-CD1 4.39Å; K154-I192 HydrophobicContact CG-CG2 4.48Å; K154-D208 VanDerWaalsContact CA-OD1 3.27Å; K154-D208 WeakPolarHBondContact CA-OD1 3.43Å; K154-D208 HydrophobicContact CD-CB 3.96Å; K154-D208 PolarHBondContact NZ-O 3.43Å
155G97.2Very high98.2Very high2 Ų224.3 Ų24.32%0.02112%0.115CC..  trans84.427.317400000114.5R31 G157 V158 T159 D208R31-G155 WeakPolarHBondContact O-CA 3.29Å; G155-G157 PolarHBondContact O-N 2.95Å; G155-V158 WeakPolarHBondContact O-CB 3.48Å; G155-V158 PolarHBondContact O-N 3.49Å; G155-T159 PolarHBondContact O-N 3.37Å; G155-D208 VanDerWaalsContact CA-OD2 3.29Å; G155-D208 WeakPolarHBondContact CA-OD2 3.4Å; G155-D208 VanDerWaalsContact N-CG 3.28Å; G155-D208 PolarHBondContact N-OD1 3.42Å; G155-D208 VanDerWaalsContact N-OD1 3.15Å; G155-D208 PolarHBondContact N-OD2 2.98Å
156I97.4Very high98.2Very high12 Ų1225.2 Ų25.26%0.06212%0.121CC..Hα-helixtrans-60.1-31174.7-16565.3000111.4V152 V158 T159 R160 E207V152-I156 HydrophobicContact CB-CD1 4.06Å; V152-I156 HydrophobicContact CG1-CB 4.13Å; V152-I156 HydrophobicContact CG1-CD1 4.09Å; V152-I156 HydrophobicContact CG2-CD1 4.28Å; I156-V158 VanDerWaalsContact C-N 3.3Å; I156-V158 PolarHBondContact O-N 2.89Å; I156-T159 HydrophobicContact CD1-CG2 4.47Å; I156-T159 VanDerWaalsContact O-CB 3.3Å; I156-T159 WeakPolarHBondContact O-CB 3.38Å; I156-T159 PolarHBondContact O-N 3.26Å; I156-T159 VanDerWaalsContact O-N 3.13Å; I156-R160 PolarHBondContact O-N 3.18Å; I156-E207 HydrophobicContact CG2-CG 4.19Å
157G96.4Very high98.1Very high2 Ų226.4 Ų26.42%0.02113%0.131CC..Hα-helixtrans-60.5-35.2172.700000113.9G155 T159 R160 I161 F205G155-G157 PolarHBondContact O-N 2.95Å; G157-T159 VanDerWaalsContact C-N 3.34Å; G157-R160 PolarHBondContact O-N 3.37Å; G157-I161 WeakPolarHBondContact O-CG1 3.27Å; G157-I161 PolarHBondContact O-N 3.34Å; G157-F205 VanDerWaalsContact C-CE2 3.46Å; G157-F205 VanDerWaalsContact CA-CE1 3.43Å; G157-F205 VanDerWaalsContact CA-CZ 3.43Å; G157-F205 WeakPolarHBondContact O-CZ 3.36Å
158V97.8Very high98.1Very high3 Ų334.2 Ų34.22%0.01817%0.165CC..Hα-helixtrans-66.9-38.5174.6-178.50000110.5V22 V29 I32 G155 I156 R160 I161 L162 F205V22-V158 HydrophobicContact CB-CG1 3.93Å; V22-V158 HydrophobicContact CG1-CG1 4.32Å; V22-V158 HydrophobicContact CG2-CG1 4.05Å; V29-V158 HydrophobicContact CG1-CG1 4.22Å; I32-V158 HydrophobicContact CD1-CB 4.31Å; I32-V158 HydrophobicContact CD1-CG1 4.03Å; I32-V158 HydrophobicContact CG1-CB 3.78Å; I32-V158 HydrophobicContact CG1-CG1 3.81Å; G155-V158 WeakPolarHBondContact O-CB 3.48Å; G155-V158 PolarHBondContact O-N 3.49Å; I156-V158 VanDerWaalsContact C-N 3.3Å; I156-V158 PolarHBondContact O-N 2.89Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 3.2Å; V158-I161 PolarHBondContact O-N 3.43Å; V158-L162 PolarHBondContact O-N 3.46Å; V158-F205 HydrophobicContact CG2-CD2 4.45Å; V158-F205 HydrophobicContact CG2-CE2 3.85Å
159T97.9Very high98Very high1 Ų137.5 Ų37.51%0.00620%0.199CC..Hα-helixtrans-61.6-41.9172.9-62.90000111.2I82 I134 T136 G155 I156 G157 L162 E163I82-T159 HydrophobicContact CD1-CG2 3.75Å; I82-T159 HydrophobicContact CG1-CG2 4.2Å; I134-T159 HydrophobicContact CG2-CG2 3.91Å; T136-T159 HydrophobicContact CG2-CG2 4.01Å; G155-T159 PolarHBondContact O-N 3.37Å; I156-T159 HydrophobicContact CD1-CG2 4.47Å; I156-T159 VanDerWaalsContact O-CB 3.3Å; I156-T159 WeakPolarHBondContact O-CB 3.38Å; I156-T159 PolarHBondContact O-N 3.26Å; I156-T159 VanDerWaalsContact O-N 3.13Å; G157-T159 VanDerWaalsContact C-N 3.34Å; T159-L162 PolarHBondContact O-N 3.12Å; T159-E163 WeakPolarHBondContact O-CB 3.38Å; T159-E163 PolarHBondContact O-N 3.47Å
160R97.8Very high98Very high93 Ų9341.6 Ų41.635%0.35122%0.218SC..Hα-helixtrans-66-35.5174.2-66.1174-175.1154.2-0.7112.4E115 I156 G157 V158 E163 N164 E207E115-R160 IonicContact OE1-CZ 3.42Å; E115-R160 IonicContact OE1-NH2 3.86Å; E115-R160 PolarHBondContact OE1-NH2 3.5Å; E115-R160 IonicContact OE2-NE 3.87Å; E115-R160 IonicContact OE2-NH2 2.8Å; I156-R160 PolarHBondContact O-N 3.18Å; G157-R160 PolarHBondContact O-N 3.37Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 3.2Å; R160-E163 PolarHBondContact O-N 2.64Å; R160-N164 PolarHBondContact O-N 2.79Å; R160-N164 PolarHBondContact O-ND2 3.23Å; R160-E207 IonicContact NH1-OE1 2.76Å; R160-E207 PolarHBondContact NH1-OE1 2.84Å; R160-E207 VanDerWaalsContact NH1-OE1 3.13Å
161I97.6Very high97.9Very high68 Ų6848.3 Ų48.335%0.34925%0.247SC..Hα-helixtrans-63.9-48.3172.8-68.1174000110.3I24 V29 G157 V158 E163 N164 V165 F205I24-I161 HydrophobicContact CD1-CG2 3.74Å; V29-I161 HydrophobicContact CG1-CB 4.07Å; V29-I161 HydrophobicContact CG1-CD1 3.55Å; V29-I161 HydrophobicContact CG1-CG1 4.41Å; V29-I161 HydrophobicContact CG1-CG2 3.75Å; G157-I161 WeakPolarHBondContact O-CG1 3.27Å; G157-I161 PolarHBondContact O-N 3.34Å; V158-I161 PolarHBondContact O-N 3.43Å; I161-E163 VanDerWaalsContact C-N 3.3Å; I161-E163 PolarHBondContact O-N 3.41Å; I161-N164 PolarHBondContact O-N 3.46Å; I161-N164 VanDerWaalsContact O-N 3.09Å; I161-V165 PolarHBondContact O-N 2.8Å; I161-F205 HydrophobicContact CD1-CE2 4.42Å; I161-F205 HydrophobicContact CD1-CZ 3.69Å; I161-F205 HydrophobicContact CG1-CZ 4.27Å
162L98.5Very high97.9Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-56-45.2176-79168.7000111.5V22 I24 I32 F73 I76 I82 V158 T159 N164 V165 C176V22-L162 HydrophobicContact CG1-CD1 3.99Å; V22-L162 HydrophobicContact CG1-CD2 3.93Å; V22-L162 HydrophobicContact CG1-CG 4.14Å; V22-L162 HydrophobicContact CG2-CD1 4.42Å; I24-L162 HydrophobicContact CD1-CD2 3.83Å; I24-L162 HydrophobicContact CD1-CG 4.32Å; I24-L162 HydrophobicContact CG1-CD2 4.09Å; I32-L162 HydrophobicContact CD1-CD1 4.2Å; F73-L162 HydrophobicContact CD2-CD1 4.06Å; F73-L162 HydrophobicContact CD2-CD2 4.02Å; F73-L162 HydrophobicContact CE1-CD1 4.26Å; F73-L162 HydrophobicContact CE2-CD1 3.77Å; F73-L162 HydrophobicContact CE2-CD2 4.43Å; F73-L162 HydrophobicContact CG-CD1 4.43Å; F73-L162 HydrophobicContact CG-CD2 4.45Å; F73-L162 HydrophobicContact CZ-CD1 3.87Å; I76-L162 HydrophobicContact CD1-CB 4.35Å; I76-L162 HydrophobicContact CD1-CD2 4.4Å; I76-L162 WeakPolarHBondContact CD1-O 3.16Å; I82-L162 HydrophobicContact CD1-CB 4.05Å; I82-L162 HydrophobicContact CD1-CD1 3.62Å; I82-L162 HydrophobicContact CG2-CB 4.1Å; V158-L162 PolarHBondContact O-N 3.46Å; T159-L162 PolarHBondContact O-N 3.12Å; L162-N164 PolarHBondContact O-N 3.22Å; L162-V165 WeakPolarHBondContact O-CG1 3.46Å; L162-V165 VanDerWaalsContact O-CG2 3.27Å; L162-V165 WeakPolarHBondContact O-CG2 3.38Å; L162-V165 PolarHBondContact O-N 3.18Å; L162-C176 HydrophobicContact CD2-CB 3.64Å
163E98.5Very high97.9Very high21 Ų2151.1 Ų51.110%0.09827%0.27CS..Hα-helixtrans-57.5-32.9177.2-174.3-167.5-148.200113.5K78 K79 I82 T136 T159 R160 I161K78-E163 HydrophobicContact CB-CG 4.29Å; K78-E163 HydrophobicContact CG-CG 4.22Å; K79-E163 WeakPolarHBondContact CA-OE1 3.33Å; K79-E163 PolarHBondContact N-OE1 3.23Å; I82-E163 HydrophobicContact CG2-CB 4.45Å; T136-E163 WeakPolarHBondContact CB-OE1 3.41Å; T136-E163 HydrophobicContact CG2-CB 3.95Å; T136-E163 HydrophobicContact CG2-CG 3.89Å; T136-E163 PolarHBondContact OG1-OE1 3Å; T159-E163 WeakPolarHBondContact O-CB 3.38Å; T159-E163 PolarHBondContact O-N 3.47Å; R160-E163 PolarHBondContact O-N 2.64Å; I161-E163 VanDerWaalsContact C-N 3.3Å; I161-E163 PolarHBondContact O-N 3.41Å
164N98.4Very high97.9Very high83 Ų8357 Ų5744%0.44430%0.295SS..THydrogen-bonded Turntrans-978.4-173-76.4-80.2000114.1K78 R160 I161 L162K78-N164 WeakPolarHBondContact CE-OD1 3.24Å; K78-N164 PolarHBondContact NZ-OD1 3.16Å; R160-N164 PolarHBondContact O-N 2.79Å; R160-N164 PolarHBondContact O-ND2 3.23Å; I161-N164 PolarHBondContact O-N 3.46Å; I161-N164 VanDerWaalsContact O-N 3.09Å; L162-N164 PolarHBondContact O-N 3.22Å
165V98.1Very high97.9Very high26 Ų2660.5 Ų60.516%0.15831%0.314CS..SBendtrans-65.9153.9173.2-56.90000111.3I24 I76 I161 L162 V167 P172I24-V165 HydrophobicContact CD1-CG1 3.83Å; I24-V165 HydrophobicContact CG2-CG1 4.19Å; I76-V165 HydrophobicContact CD1-CG2 3.96Å; I161-V165 PolarHBondContact O-N 2.8Å; L162-V165 WeakPolarHBondContact O-CG1 3.46Å; L162-V165 VanDerWaalsContact O-CG2 3.27Å; L162-V165 WeakPolarHBondContact O-CG2 3.38Å; L162-V165 PolarHBondContact O-N 3.18Å; V165-V167 HydrophobicContact CG2-CG1 4.21Å; V165-P172 HydrophobicContact CG2-CB 4Å; V165-P172 HydrophobicContact CG2-CG 4.27Å
166E98.1Very high98Very high141 Ų14160.4 Ų60.466%0.65931%0.313SS*.  trans-63.9135.9169.4-173.2-175.9170.800110.2A173E166-A173 HydrophobicContact CB-CB 4.07Å; E166-A173 HydrophobicContact CG-CB 4.03Å; E166-A173 WeakPolarHBondContact O-CB 3.18Å; E166-A173 PolarHBondContact O-N 3.32Å
167V98Very high98Very high57 Ų5761.6 Ų61.635%0.34532%0.319SS..EExtended strand (participates in β ladder)trans-127.1148.3-179.8-64.50000111.4I76 V165 G169 K171I76-V167 HydrophobicContact CB-CG1 4.26Å; I76-V167 HydrophobicContact CG2-CG1 4.41Å; V165-V167 HydrophobicContact CG2-CG1 4.21Å; V167-G169 VanDerWaalsContact CG2-O 3.27Å; V167-G169 WeakPolarHBondContact CG2-O 3.27Å; V167-K171 CarbonylContact C-O 3.28Å; V167-K171 VanDerWaalsContact CA-O 3.28Å; V167-K171 WeakPolarHBondContact CA-O 3.06Å
168K97.6Very high98.1Very high164 Ų16461.5 Ų61.571%0.71332%0.318SS*.EExtended strand (participates in β ladder)trans-105.7101.4166.5-66.8-177.1-179.7-179.80108.1E170 K171K168-E170 PolarHBondContact O-N 2.84Å; K168-K171 PolarHBondContact N-O 3.33Å; K168-K171 PolarHBondContact O-N 2.93Å
169G97.5Very high98.2Very high71 Ų7162.4 Ų62.473%0.73233%0.326SS*.THydrogen-bonded Turntrans68-111.6-163.500000109V167V167-G169 VanDerWaalsContact CG2-O 3.27Å; V167-G169 WeakPolarHBondContact CG2-O 3.27Å
170E98Very high98.2Very high86 Ų8665.7 Ų65.740%0.40234%0.341SS..THydrogen-bonded Turntrans-109.5-5.5176.3-53.7173.7150.100112.1R75 I76 I77 K168R75-E170 CarbonylContact C-O 3.5Å; R75-E170 WeakPolarHBondContact CA-O 3.14Å; R75-E170 HydrophobicContact CG-CB 3.78Å; R75-E170 IonicContact CZ-OE1 2.77Å; R75-E170 IonicContact CZ-OE2 3.89Å; R75-E170 IonicContact NE-OE1 3.77Å; R75-E170 IonicContact NE-OE2 3.78Å; R75-E170 PolarHBondContact NE-OE2 3Å; R75-E170 IonicContact NH2-OE1 2.62Å; R75-E170 PolarHBondContact NH2-OE1 3.11Å; R75-E170 IonicContact NH2-OE2 3.91Å; R75-E170 PolarHBondContact NH2-OE2 3.5Å; I76-E170 PolarHBondContact N-O 2.89Å; I77-E170 HydrophobicContact CD1-CG 4.1Å; I77-E170 VanDerWaalsContact CD1-OE1 3.24Å; I77-E170 WeakPolarHBondContact CD1-OE1 3.32Å; I77-E170 HydrophobicContact CG1-CB 4.27Å; I77-E170 HydrophobicContact CG1-CG 4Å; K168-E170 PolarHBondContact O-N 2.84Å
171K98.3Very high98.2Very high142 Ų14261.9 Ų61.962%0.61733%0.329SS*.EExtended strand (participates in β ladder)trans-87.6126.6-176.9-175.8174.7-178.9173.20110.6V167 K168 A173V167-K171 CarbonylContact C-O 3.28Å; V167-K171 VanDerWaalsContact CA-O 3.28Å; V167-K171 WeakPolarHBondContact CA-O 3.06Å; K168-K171 PolarHBondContact N-O 3.33Å; K168-K171 PolarHBondContact O-N 2.93Å; K171-A173 PolarHBondContact O-N 2.91Å
172P98.3Very high98.3Very high15 Ų1559 Ų5910%0.09732%0.316CS..EExtended strand (participates in β ladder)trans-55.5136.3174.4-29.439.3000113.2F73 I76 V165 K174F73-P172 WeakPolarHBondContact O-CG 3.41Å; I76-P172 HydrophobicContact CB-CG 4.19Å; I76-P172 HydrophobicContact CD1-CG 3.57Å; I76-P172 HydrophobicContact CG1-CG 3.74Å; V165-P172 HydrophobicContact CG2-CB 4Å; V165-P172 HydrophobicContact CG2-CG 4.27Å; P172-K174 VanDerWaalsContact CB-O 3.24Å; P172-K174 WeakPolarHBondContact CB-O 3.45Å
173A98Very high98.3Very high46 Ų4660.9 Ų60.938%0.3833%0.325SS..SBendtrans-71.6-36.6177.500000111.7E166 K171E166-A173 HydrophobicContact CB-CB 4.07Å; E166-A173 HydrophobicContact CG-CB 4.03Å; E166-A173 WeakPolarHBondContact O-CB 3.18Å; E166-A173 PolarHBondContact O-N 3.32Å; K171-A173 PolarHBondContact O-N 2.91Å
174K97.9Very high98.3Very high136 Ų13660.5 Ų60.559%0.59132%0.323SS*.SBendtrans-96.4147.7169-65.8-177.3179.8-177.40109.5I24 P172 C176I24-K174 HydrophobicContact CG2-CB 4.08Å; I24-K174 HydrophobicContact CG2-CD 4.33Å; P172-K174 VanDerWaalsContact CB-O 3.24Å; P172-K174 WeakPolarHBondContact CB-O 3.45Å; K174-C176 PolarHBondContact O-N 2.96Å
175L98.3Very high98.2Very high101 Ų10161.6 Ų61.653%0.52932%0.324SS..  trans-65.6116.2175.1-178.362.9000109.9I24 G25 P72 I177I24-L175 CarbonylContact C-O 3.42Å; I24-L175 WeakPolarHBondContact CA-O 3.43Å; G25-L175 PolarHBondContact N-O 3.42Å; P72-L175 HydrophobicContact CB-CD1 4.07Å; L175-I177 HydrophobicContact CD2-CD1 4.46Å; L175-I177 HydrophobicContact CG-CB 4.4Å
176C98.8Very high97.9Very high1 Ų169.4 Ų69.41%0.00736%0.359CS..EExtended strand (participates in β ladder)trans-103.9115.4173.2-63.50000108.2D23 P72 F73 L162 K174D23-C176 WeakPolarHBondContact O-CA 3.49Å; P72-C176 CarbonylContact C-O 3.57Å; P72-C176 WeakPolarHBondContact CA-O 3.45Å; P72-C176 WeakPolarHBondContact CB-O 3.42Å; F73-C176 HydrophobicContact CB-CB 4.08Å; F73-C176 HydrophobicContact CD2-CB 4.27Å; F73-C176 PolarHBondContact N-O 3.27Å; L162-C176 HydrophobicContact CD2-CB 3.64Å; K174-C176 PolarHBondContact O-N 2.96Å
177I98.6Very high97.7Very high37 Ų3766.5 Ų66.519%0.1937%0.367CS..EExtended strand (participates in β ladder)trans-133.7145-168.5-164172.8000111.8V22 D23 G70 L175 A179V22-I177 WeakPolarHBondContact CA-O 3.04Å; D23-I177 HydrophobicContact CB-CG2 3.78Å; D23-I177 PolarHBondContact N-O 3.49Å; D23-I177 PolarHBondContact O-N 3.04Å; G70-I177 VanDerWaalsContact O-CD1 3.3Å; G70-I177 WeakPolarHBondContact O-CD1 2.91Å; G70-I177 WeakPolarHBondContact O-CG1 3.45Å; L175-I177 HydrophobicContact CD2-CD1 4.46Å; L175-I177 HydrophobicContact CG-CB 4.4Å; I177-A179 HydrophobicContact CG2-CB 4.46Å; I177-A179 PolarHBondContact O-N 3.33Å; I177-A179 VanDerWaalsContact O-N 3.15Å
178I98.9Very high97.5Very high0 Ų067.4 Ų67.40%037%0.37CS..EExtended strand (participates in β ladder)trans-76.592.1164.5-57.8169.9000106.3F20 F68 G70 C71 F73 F132 C181F20-I178 HydrophobicContact CB-CG2 4.09Å; F20-I178 HydrophobicContact CD1-CD1 4.18Å; F20-I178 HydrophobicContact CD1-CG1 4.41Å; F20-I178 HydrophobicContact CD1-CG2 3.53Å; F20-I178 HydrophobicContact CD2-CD1 4.19Å; F20-I178 HydrophobicContact CD2-CG1 4.41Å; F20-I178 HydrophobicContact CE1-CD1 4.02Å; F20-I178 HydrophobicContact CE1-CG2 4.13Å; F20-I178 HydrophobicContact CE2-CD1 4.02Å; F20-I178 HydrophobicContact CG-CD1 4.26Å; F20-I178 HydrophobicContact CG-CG1 4.24Å; F20-I178 HydrophobicContact CG-CG2 3.94Å; F20-I178 HydrophobicContact CZ-CD1 3.92Å; F68-I178 HydrophobicContact CB-CD1 4.13Å; G70-I178 WeakPolarHBondContact CA-O 3.49Å; G70-I178 PolarHBondContact N-O 2.87Å; C71-I178 HydrophobicContact CB-CD1 4.47Å; C71-I178 PolarHBondContact O-N 3.48Å; F73-I178 HydrophobicContact CE2-CG1 3.73Å; F73-I178 HydrophobicContact CZ-CD1 4.35Å; F73-I178 HydrophobicContact CZ-CG1 3.93Å; F132-I178 HydrophobicContact CE1-CD1 4.32Å; F132-I178 HydrophobicContact CZ-CD1 4.06Å; I178-C181 HydrophobicContact CG2-CB 3.8Å
179A98.6Very high97.3Very high21 Ų2164.1 Ų64.117%0.17436%0.36CS..EExtended strand (participates in β ladder)trans-71.3-38.5-174.900000111.9D21 D23 I177D21-A179 WeakPolarHBondContact O-CB 3.44Å; D21-A179 PolarHBondContact O-N 2.67Å; D23-A179 HydrophobicContact CB-CB 4.11Å; D23-A179 WeakPolarHBondContact OD1-CB 3.47Å; D23-A179 WeakPolarHBondContact OD2-CB 3.49Å; I177-A179 HydrophobicContact CG2-CB 4.46Å; I177-A179 PolarHBondContact O-N 3.33Å; I177-A179 VanDerWaalsContact O-N 3.15Å
180E98.6Very high97.1Very high70 Ų7064 Ų6433%0.32734%0.337SS..EExtended strand (participates in β ladder)trans-138.6153.2166.8-70.7-69.3-153.900111.8F20 D21 K69F20-E180 CarbonylContact C-O 3.52Å; F20-E180 WeakPolarHBondContact CA-O 3.47Å; D21-E180 HydrophobicContact CB-CB 4.02Å; D21-E180 PolarHBondContact N-O 2.9Å; D21-E180 PolarHBondContact O-N 3.34Å; K69-E180 WeakPolarHBondContact CD-OE2 3.47Å; K69-E180 VanDerWaalsContact CE-CD 3.48Å; K69-E180 WeakPolarHBondContact CE-OE2 3.43Å; K69-E180 WeakPolarHBondContact CG-OE2 3.45Å; K69-E180 IonicContact NZ-OE1 3.68Å; K69-E180 PolarHBondContact NZ-OE1 2.67Å; K69-E180 IonicContact NZ-OE2 2.89Å; K69-E180 PolarHBondContact NZ-OE2 3.46Å
181C98.8Very high96.8Very high13 Ų1360.6 Ų60.69%0.08833%0.325CS..EExtended strand (participates in β ladder)trans-147.9164.1173.959.60000111.6F19 F20 C52 H67 K69 I178F19-C181 WeakPolarHBondContact O-CA 3.04Å; F19-C181 WeakPolarHBondContact O-CB 3.43Å; F20-C181 HydrophobicContact CD1-CB 3.57Å; F20-C181 HydrophobicContact CE1-CB 3.87Å; C52-C181 CarbonylContact O-C 3.55Å; C52-C181 PolarHBondContact O-SG 2.81Å; H67-C181 PolarHBondContact NE2-SG 3.33Å; H67-C181 VanDerWaalsContact NE2-SG 3.37Å; K69-C181 PolarHBondContact N-SG 3.15Å; I178-C181 HydrophobicContact CG2-CB 3.8Å
182G98.6Very high96.5Very high9 Ų954.7 Ų54.79%0.09330%0.3CS..EExtended strand (participates in β ladder)trans173.1-172.6178.100000112.6V18 F19 C52V18-G182 CarbonylContact C-O 3.44Å; V18-G182 WeakPolarHBondContact CA-O 3.43Å; V18-G182 VanDerWaalsContact CB-O 3.25Å; V18-G182 WeakPolarHBondContact CB-O 3.44Å; F19-G182 WeakPolarHBondContact CD1-O 3.25Å; F19-G182 VanDerWaalsContact CE1-CA 3.5Å; F19-G182 PolarHBondContact N-O 3.17Å; F19-G182 PolarHBondContact O-N 3.33Å; C52-G182 WeakPolarHBondContact O-CA 3.47Å; C52-G182 PolarHBondContact O-N 3.02Å
183E98.7Very high96.2Very high39 Ų3957.4 Ų57.418%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-107139.6176.1-168.2-171.615600109.7R17 V18 R49 T53 K185R17-E183 WeakPolarHBondContact O-CA 3.37Å; R17-E183 WeakPolarHBondContact O-CG 3.42Å; V18-E183 HydrophobicContact CG1-CB 4.31Å; V18-E183 HydrophobicContact CG1-CG 4.25Å; R49-E183 WeakPolarHBondContact CD-OE2 3.4Å; R49-E183 HydrophobicContact CG-CG 4.23Å; R49-E183 IonicContact CZ-OE2 3.83Å; R49-E183 IonicContact NH1-OE2 2.74Å; R49-E183 PolarHBondContact NH1-OE2 3.33Å; T53-E183 HydrophobicContact CG2-CB 3.88Å; E183-K185 IonicContact OE1-NZ 3.18Å; E183-K185 PolarHBondContact OE1-NZ 3.41Å; E183-K185 IonicContact OE2-NZ 2.75Å; E183-K185 PolarHBondContact OE2-NZ 2.89Å
184L98Very high95.7Very high12 Ų1256.3 Ų56.36%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-96.9120.8170.5-61.9177000108.9R17 F19 V33 D188 W190R17-L184 HydrophobicContact CB-CB 4.25Å; R17-L184 PolarHBondContact O-N 3.06Å; F19-L184 HydrophobicContact CD1-CD2 3.76Å; F19-L184 HydrophobicContact CD1-CG 3.94Å; F19-L184 HydrophobicContact CE1-CD2 4.15Å; V33-L184 HydrophobicContact CG1-CD1 3.76Å; V33-L184 HydrophobicContact CG2-CD1 4.29Å; L184-D188 HydrophobicContact CD2-CB 4.49Å; L184-W190 HydrophobicContact CD1-CE3 4.06Å
185K96.4Very high95.2Very high107 Ų10755.8 Ų55.847%0.46530%0.297SS..PPolyproline II helixtrans-79.3166.7174.9-57-59.9175.8-178.10110.8R17 E183 G187 D188R17-K185 PolarHBondContact NH2-O 3.27Å; E183-K185 IonicContact OE1-NZ 3.18Å; E183-K185 PolarHBondContact OE1-NZ 3.41Å; E183-K185 IonicContact OE2-NZ 2.75Å; E183-K185 PolarHBondContact OE2-NZ 2.89Å; K185-G187 PolarHBondContact O-N 3.09Å; K185-D188 WeakPolarHBondContact CB-OD2 3.36Å; K185-D188 PolarHBondContact N-OD2 3.11Å; K185-D188 WeakPolarHBondContact O-CB 3.36Å; K185-D188 PolarHBondContact O-N 3.19Å
186E93Very high94.7Very high190 Ų19053.7 Ų53.789%0.88829%0.287SS*.THydrogen-bonded Turntrans-63.3132.1172.1-170.5173.4-175.300109.7D188E186-D188 VanDerWaalsContact C-N 3.31Å; E186-D188 PolarHBondContact O-N 3.46Å
187G92.9Very high94.2Very high79 Ų7957.5 Ų57.581%0.81433%0.326SS*.THydrogen-bonded Turntrans85.7-11.9-174.300000115.5K185K185-G187 PolarHBondContact O-N 3.09Å
188D94.6Very high94Very high77 Ų7757 Ų5741%0.41233%0.326SS..  trans-66.4143173.3-74.8-12.3000111.1L184 K185 E186L184-D188 HydrophobicContact CD2-CB 4.49Å; K185-D188 WeakPolarHBondContact CB-OD2 3.36Å; K185-D188 PolarHBondContact N-OD2 3.11Å; K185-D188 WeakPolarHBondContact O-CB 3.36Å; K185-D188 PolarHBondContact O-N 3.19Å; E186-D188 VanDerWaalsContact C-N 3.31Å; E186-D188 PolarHBondContact O-N 3.46Å
189D92.7Very high93.7Very high95 Ų9560.3 Ų60.351%0.50836%0.36SS..  trans-63.1143.9169.1179.559.9000110.6G191D189-G191 PolarHBondContact O-N 3.03Å; D189-G191 VanDerWaalsContact OD2-CA 3.25Å; D189-G191 WeakPolarHBondContact OD2-CA 3.5Å; D189-G191 PolarHBondContact OD2-N 3.34Å
190W93.3Very high93.6Very high68 Ų6859.7 Ų59.726%0.25835%0.353SS..  trans-60.3-29.4178.6-67.6107.5000112.1R31 V33 I153 K154 L184 I192R31-W190 VanDerWaalsContact CD-O 3.29Å; R31-W190 WeakPolarHBondContact CD-O 3.32Å; R31-W190 PolarHBondContact NH1-O 3.12Å; V33-W190 HydrophobicContact CG1-CE3 4.1Å; V33-W190 HydrophobicContact CG1-CZ3 3.93Å; V33-W190 HydrophobicContact CG2-CE3 4.46Å; I153-W190 HydrophobicContact CD1-CH2 3.98Å; I153-W190 HydrophobicContact CD1-CZ3 3.72Å; I153-W190 HydrophobicContact CG1-CZ3 4.48Å; K154-W190 HydrophobicContact CG-CE3 4.27Å; L184-W190 HydrophobicContact CD1-CE3 4.06Å; W190-I192 HydrophobicContact CB-CB 4.42Å; W190-I192 HydrophobicContact CB-CD1 4.1Å; W190-I192 HydrophobicContact CB-CG1 3.85Å; W190-I192 HydrophobicContact CB-CG2 3.96Å; W190-I192 PolarHBondContact O-N 3.09Å
191G92.6Very high93.4Very high14 Ų1459.4 Ų59.414%0.14436%0.36CS..  trans59.729.9-178.100000112.9R31 D189R31-G191 WeakPolarHBondContact CD-O 3.41Å; R31-G191 PolarHBondContact NE-O 3.43Å; D189-G191 PolarHBondContact O-N 3.03Å; D189-G191 VanDerWaalsContact OD2-CA 3.25Å; D189-G191 WeakPolarHBondContact OD2-CA 3.5Å; D189-G191 PolarHBondContact OD2-N 3.34Å
192I91.3Very high93.2Very high19 Ų1960.1 Ų60.110%0.09736%0.362CS..  trans-90-4.6-177.257.6174.6000113.1R31 V33 K154 W190 P203 D208R31-I192 HydrophobicContact CG-CG2 4.31Å; V33-I192 HydrophobicContact CG2-CG2 3.9Å; K154-I192 HydrophobicContact CB-CG2 4.05Å; K154-I192 HydrophobicContact CD-CD1 4.13Å; K154-I192 HydrophobicContact CG-CD1 4.39Å; K154-I192 HydrophobicContact CG-CG2 4.48Å; W190-I192 HydrophobicContact CB-CB 4.42Å; W190-I192 HydrophobicContact CB-CD1 4.1Å; W190-I192 HydrophobicContact CB-CG1 3.85Å; W190-I192 HydrophobicContact CB-CG2 3.96Å; W190-I192 PolarHBondContact O-N 3.09Å; I192-P203 HydrophobicContact CD1-CB 4.15Å; I192-P203 HydrophobicContact CD1-CG 3.69Å; I192-P203 HydrophobicContact CG1-CB 4.45Å; I192-P203 HydrophobicContact CG1-CG 4.12Å; I192-D208 HydrophobicContact CD1-CB 4.42Å
193F91.8Very high93.1Very high72 Ų7260.1 Ų60.132%0.31636%0.36SS..SBendtrans-74.2147.9171.9-43.2-54.3000110.3K195 S201 P203F193-K195 PolarHBondContact O-N 2.88Å; F193-S201 WeakPolarHBondContact CD1-O 3.37Å; F193-S201 WeakPolarHBondContact CE1-O 3.44Å; F193-P203 HydrophobicContact CD1-CG 4.35Å; F193-P203 HydrophobicContact CE1-CG 4.18Å
194P88.6Confident92.8Very high23 Ų2359.9 Ų59.915%0.14936%0.36CS..  trans-63.9124.9-179.225.3-33.4000111.1D196 D200 H202P194-D196 PolarHBondContact O-N 2.69Å; P194-D200 HydrophobicContact CG-CB 3.94Å; P194-D200 WeakPolarHBondContact CG-OD2 3.47Å; P194-H202 WeakPolarHBondContact CD-O 3.31Å
195K85.9Confident92.6Very high124 Ų12460.7 Ų60.754%0.53936%0.363SS..  trans-8451.4177.3-58.9179.8-173.6170.20111.5D21 F193D21-K195 IonicContact OD2-NZ 3.04Å; D21-K195 PolarHBondContact OD2-NZ 2.96Å; F193-K195 PolarHBondContact O-N 2.88Å
196D87.7Confident92.5Very high58 Ų5855.7 Ų55.731%0.3134%0.341SS..SBendtrans-104.44.5-17565.68.8000113.8P194 S198 M241 K245P194-D196 PolarHBondContact O-N 2.69Å; D196-S198 PolarHBondContact O-N 3.07Å; D196-S198 WeakPolarHBondContact OD1-CB 3.24Å; D196-S198 PolarHBondContact OD1-N 2.8Å; D196-S198 PolarHBondContact OD1-OG 3.02Å; D196-S198 VanDerWaalsContact OD1-OG 3.07Å; D196-M241 HydrophobicContact CB-CE 3.75Å; D196-M241 WeakPolarHBondContact OD2-CE 3.25Å; D196-K245 IonicContact OD1-NZ 3.47Å; D196-K245 WeakPolarHBondContact OD2-CE 3.28Å; D196-K245 IonicContact OD2-NZ 3.36Å; D196-K245 PolarHBondContact OD2-NZ 2.94Å
197G89.8Confident92.5Very high80 Ų8050.2 Ų50.283%0.82532%0.316SS*.SBendtrans75.36.3-179.700000114.4G199G197-G199 VanDerWaalsContact C-N 3.3Å; G197-G199 PolarHBondContact O-N 3.24Å
198S92.6Very high92.6Very high28 Ų2847.1 Ų47.120%0.19628%0.28CS..SBendtrans-80.3-8.4-176.8880000114.5D196 D200 K245D196-S198 PolarHBondContact O-N 3.07Å; D196-S198 WeakPolarHBondContact OD1-CB 3.24Å; D196-S198 PolarHBondContact OD1-N 2.8Å; D196-S198 PolarHBondContact OD1-OG 3.02Å; D196-S198 VanDerWaalsContact OD1-OG 3.07Å; S198-D200 PolarHBondContact O-N 3.25Å; S198-D200 WeakPolarHBondContact OG-CB 3.48Å; S198-D200 PolarHBondContact OG-N 2.94Å; S198-K245 VanDerWaalsContact OG-CE 3.25Å; S198-K245 WeakPolarHBondContact OG-CE 3.45Å; S198-K245 PolarHBondContact OG-NZ 3.33Å
199G93.6Very high92.6Very high69 Ų6944.3 Ų44.371%0.71127%0.268SS*.  trans72.212.9-171.100000114.4G197 S201G197-G199 VanDerWaalsContact C-N 3.3Å; G197-G199 PolarHBondContact O-N 3.24Å; G199-S201 PolarHBondContact O-N 2.9Å
200D95.8Very high92.5Very high7 Ų747 Ų474%0.03728%0.283CS..  trans-69.7117.5177175.4-4.6000110P194 S198 H202 L226 I229 K245 K248P194-D200 HydrophobicContact CG-CB 3.94Å; P194-D200 WeakPolarHBondContact CG-OD2 3.47Å; S198-D200 PolarHBondContact O-N 3.25Å; S198-D200 WeakPolarHBondContact OG-CB 3.48Å; S198-D200 PolarHBondContact OG-N 2.94Å; D200-H202 IonicContact OD1-CD2 2.8Å; D200-H202 IonicContact OD1-CG 3.13Å; D200-H202 PolarHBondContact OD1-N 3.3Å; D200-L226 WeakPolarHBondContact OD1-CD2 3.41Å; D200-L226 WeakPolarHBondContact OD2-CD2 3.34Å; D200-I229 HydrophobicContact CB-CD1 3.8Å; D200-K245 VanDerWaalsContact CB-NZ 3.31Å; D200-K245 IonicContact OD2-NZ 3.29Å; D200-K245 PolarHBondContact OD2-NZ 2.79Å; D200-K248 VanDerWaalsContact CG-NZ 3.29Å; D200-K248 IonicContact OD1-NZ 3.56Å; D200-K248 PolarHBondContact OD1-NZ 2.89Å; D200-K248 IonicContact OD2-NZ 2.69Å; D200-K248 PolarHBondContact OD2-NZ 3.48Å
201S94.7Very high92.6Very high65 Ų6545 Ų4546%0.45528%0.277SS..  trans-102.317-177.4640000113.2F193 G199F193-S201 WeakPolarHBondContact CD1-O 3.37Å; F193-S201 WeakPolarHBondContact CE1-O 3.44Å; G199-S201 PolarHBondContact O-N 2.9Å
202H95.8Very high92.7Very high28 Ų2849 Ų4913%0.1330%0.296CS..SBendtrans-109.4142.2-179.4-52.1-72.2000109.6P194 D200 I222 D225 L226 K248P194-H202 WeakPolarHBondContact CD-O 3.31Å; D200-H202 IonicContact OD1-CD2 2.8Å; D200-H202 IonicContact OD1-CG 3.13Å; D200-H202 PolarHBondContact OD1-N 3.3Å; H202-I222 HydrophobicContact CB-CG2 4.35Å; H202-D225 IonicContact CD2-OD2 2.68Å; H202-D225 IonicContact CE1-OD2 2.78Å; H202-D225 IonicContact NE2-OD2 2.8Å; H202-D225 PolarHBondContact NE2-OD2 3.32Å; H202-L226 HydrophobicContact CB-CD2 4.4Å; H202-K248 PolarHBondContact O-NZ 3.41Å
203P95.5Very high92.8Very high8 Ų849.5 Ų49.55%0.05230%0.298CS..  trans-60.3150.2173.2-26.237.5000111.9I192 F193 F205 D208 A209 K248 Y252I192-P203 HydrophobicContact CD1-CB 4.15Å; I192-P203 HydrophobicContact CD1-CG 3.69Å; I192-P203 HydrophobicContact CG1-CB 4.45Å; I192-P203 HydrophobicContact CG1-CG 4.12Å; F193-P203 HydrophobicContact CD1-CG 4.35Å; F193-P203 HydrophobicContact CE1-CG 4.18Å; P203-F205 PolarHBondContact O-N 3.35Å; P203-D208 HydrophobicContact CB-CB 3.94Å; P203-D208 HydrophobicContact CG-CB 4.45Å; P203-A209 HydrophobicContact CG-CB 4.11Å; P203-K248 WeakPolarHBondContact O-CE 3.22Å; P203-K248 PolarHBondContact O-NZ 3.11Å; P203-Y252 WeakPolarHBondContact O-CE2 3.19Å; P203-Y252 PolarHBondContact O-OH 3.28Å
204D92.4Very high93Very high34 Ų3452.4 Ų52.418%0.18231%0.311CS..SBendtrans-67.6-21179.5-76.7-34.3000114K248 R251D204-K248 IonicContact OD1-NZ 2.67Å; D204-K248 PolarHBondContact OD1-NZ 2.96Å; D204-R251 PolarHBondContact O-NE 3.36Å; D204-R251 PolarHBondContact O-NH2 3.43Å
205F94.3Very high93.3Very high29 Ų2953.5 Ų53.513%0.12732%0.315CS..SBendtrans-117.4123.8177.7-67.4-79.3000110.1G157 V158 I161 P203 E207 D208G157-F205 VanDerWaalsContact C-CE2 3.46Å; G157-F205 VanDerWaalsContact CA-CE1 3.43Å; G157-F205 VanDerWaalsContact CA-CZ 3.43Å; G157-F205 WeakPolarHBondContact O-CZ 3.36Å; V158-F205 HydrophobicContact CG2-CD2 4.45Å; V158-F205 HydrophobicContact CG2-CE2 3.85Å; I161-F205 HydrophobicContact CD1-CE2 4.42Å; I161-F205 HydrophobicContact CD1-CZ 3.69Å; I161-F205 HydrophobicContact CG1-CZ 4.27Å; P203-F205 PolarHBondContact O-N 3.35Å; F205-E207 VanDerWaalsContact C-N 3.26Å; F205-E207 HydrophobicContact CB-CG 4.37Å; F205-E207 PolarHBondContact O-N 3.34Å; F205-D208 WeakPolarHBondContact O-CB 3.3Å; F205-D208 PolarHBondContact O-N 3.47Å
206P94.8Very high93.8Very high2 Ų247.9 Ų47.91%0.01329%0.292CS..G310 helixtrans-60.7-31.6-174.4-23.332.7000114.2D208 A209 L213 R251 Y252P206-D208 PolarHBondContact O-N 2.83Å; P206-A209 WeakPolarHBondContact O-CB 3.27Å; P206-A209 PolarHBondContact O-N 3Å; P206-L213 HydrophobicContact CB-CD1 4.49Å; P206-L213 HydrophobicContact CB-CD2 3.68Å; P206-R251 HydrophobicContact CG-CB 4.3Å; P206-Y252 HydrophobicContact CB-CD1 3.83Å; P206-Y252 HydrophobicContact CB-CD2 4.43Å; P206-Y252 HydrophobicContact CB-CE1 3.88Å; P206-Y252 HydrophobicContact CB-CE2 4.47Å; P206-Y252 HydrophobicContact CB-CG 4.12Å; P206-Y252 VanDerWaalsContact CG-CA 3.5Å; P206-Y252 HydrophobicContact CG-CD1 3.98Å; P206-Y252 HydrophobicContact CG-CD2 3.76Å; P206-Y252 HydrophobicContact CG-CE1 4.25Å; P206-Y252 HydrophobicContact CG-CE2 4.04Å; P206-Y252 HydrophobicContact CG-CG 3.73Å
207E92.9Very high94.1Very high76 Ų7649.9 Ų49.936%0.35530%0.302SS..G310 helixtrans-63.7-17.2177.458.9-99-127.100114I156 R160 F205I156-E207 HydrophobicContact CG2-CG 4.19Å; R160-E207 IonicContact NH1-OE1 2.76Å; R160-E207 PolarHBondContact NH1-OE1 2.84Å; R160-E207 VanDerWaalsContact NH1-OE1 3.13Å; F205-E207 VanDerWaalsContact C-N 3.26Å; F205-E207 HydrophobicContact CB-CG 4.37Å; F205-E207 PolarHBondContact O-N 3.34Å
208D94.8Very high94.5Very high13 Ų1351.3 Ų51.37%0.0729%0.286CS..G310 helixtrans-92.6-8.4177.1-67.9-41.5000112.7K154 G155 I192 P203 F205 P206K154-D208 VanDerWaalsContact CA-OD1 3.27Å; K154-D208 WeakPolarHBondContact CA-OD1 3.43Å; K154-D208 HydrophobicContact CD-CB 3.96Å; K154-D208 PolarHBondContact NZ-O 3.43Å; G155-D208 VanDerWaalsContact CA-OD2 3.29Å; G155-D208 WeakPolarHBondContact CA-OD2 3.4Å; G155-D208 VanDerWaalsContact N-CG 3.28Å; G155-D208 PolarHBondContact N-OD1 3.42Å; G155-D208 VanDerWaalsContact N-OD1 3.15Å; G155-D208 PolarHBondContact N-OD2 2.98Å; I192-D208 HydrophobicContact CD1-CB 4.42Å; P203-D208 HydrophobicContact CB-CB 3.94Å; P203-D208 HydrophobicContact CG-CB 4.45Å; F205-D208 WeakPolarHBondContact O-CB 3.3Å; F205-D208 PolarHBondContact O-N 3.47Å; P206-D208 PolarHBondContact O-N 2.83Å
209A94.3Very high94.7Very high18 Ų1850 Ų5015%0.14928%0.276CS..SBendtrans-80.9151.5178.400000111.8P203 P206 V211 Y252P203-A209 HydrophobicContact CG-CB 4.11Å; P206-A209 WeakPolarHBondContact O-CB 3.27Å; P206-A209 PolarHBondContact O-N 3Å; A209-V211 HydrophobicContact CB-CG1 3.88Å; A209-V211 PolarHBondContact O-N 3.09Å; A209-Y252 HydrophobicContact CB-CE1 4.3Å
210D91Very high94.9Very high153 Ų15349 Ų4982%0.81825%0.254SS*.SBendtrans-77-3.2179.5-61.6-30.3000113.1
211V93.9Very high95Very high25 Ų2554.7 Ų54.715%0.15228%0.284CS..SBendtrans-77.6135.5178.5670000110.7A209 L213 K218 I219 I222A209-V211 HydrophobicContact CB-CG1 3.88Å; A209-V211 PolarHBondContact O-N 3.09Å; V211-L213 HydrophobicContact CG1-CD2 4.35Å; V211-L213 PolarHBondContact O-N 2.94Å; V211-K218 HydrophobicContact CG2-CB 3.66Å; V211-K218 HydrophobicContact CG2-CD 4.09Å; V211-I219 HydrophobicContact CG1-CD1 3.77Å; V211-I219 HydrophobicContact CG2-CD1 4.12Å; V211-I222 HydrophobicContact CB-CD1 4.02Å; V211-I222 HydrophobicContact CG1-CD1 3.76Å; V211-I222 HydrophobicContact CG2-CD1 4.13Å
212D94.5Very high95.1Very high99 Ų9952.6 Ų52.653%0.52927%0.268SS..  trans-67.5118.3165.1-174.3-11.9000108.5K214 D215D212-K214 PolarHBondContact O-N 2.68Å; D212-K214 WeakPolarHBondContact OD1-CB 3.34Å; D212-K214 PolarHBondContact OD1-N 2.62Å; D212-D215 HydrophobicContact CB-CB 4.43Å; D212-D215 WeakPolarHBondContact O-CB 3.39Å; D212-D215 PolarHBondContact O-N 3.02Å
213L94.8Very high95.2Very high29 Ų2951.3 Ų51.315%0.15226%0.262CS..THydrogen-bonded Turntrans-61.7-13.1179.9-61.2-179.6000113.2P206 V211 I219 S256 V259P206-L213 HydrophobicContact CB-CD1 4.49Å; P206-L213 HydrophobicContact CB-CD2 3.68Å; V211-L213 HydrophobicContact CG1-CD2 4.35Å; V211-L213 PolarHBondContact O-N 2.94Å; L213-I219 HydrophobicContact CD2-CD1 3.86Å; L213-S256 WeakPolarHBondContact O-CA 3.42Å; L213-S256 VanDerWaalsContact O-CB 3.31Å; L213-S256 WeakPolarHBondContact O-CB 3.33Å; L213-S256 PolarHBondContact O-OG 3.39Å; L213-V259 HydrophobicContact CB-CG2 3.77Å
214K95.2Very high95.4Very high132 Ų13254.4 Ų54.457%0.57428%0.276SS*.THydrogen-bonded Turntrans-81.2-18.6171.6-60.4175.8-177.11780113.9D212 V216 V259 I260D212-K214 PolarHBondContact O-N 2.68Å; D212-K214 WeakPolarHBondContact OD1-CB 3.34Å; D212-K214 PolarHBondContact OD1-N 2.62Å; K214-V216 VanDerWaalsContact C-N 3.3Å; K214-V216 PolarHBondContact O-N 3.3Å; K214-V259 HydrophobicContact CG-CB 4.25Å; K214-V259 HydrophobicContact CG-CG2 3.79Å; K214-I260 HydrophobicContact CB-CG2 4.28Å; K214-I260 HydrophobicContact CG-CG2 4.45Å
215D95.8Very high95.6Very high46 Ų4655.8 Ų55.825%0.24628%0.283CS..  trans-79.580.1176.8-169.6-25000109.9D212 D217 K218 I219D212-D215 HydrophobicContact CB-CB 4.43Å; D212-D215 WeakPolarHBondContact O-CB 3.39Å; D212-D215 PolarHBondContact O-N 3.02Å; D215-D217 PolarHBondContact O-N 2.61Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.41Å; D215-K218 HydrophobicContact CB-CG 4.49Å; D215-K218 PolarHBondContact O-N 3.03Å; D215-K218 VanDerWaalsContact O-N 3.16Å; D215-K218 PolarHBondContact OD1-N 3.43Å; D215-K218 WeakPolarHBondContact OD2-CD 3.1Å; D215-K218 WeakPolarHBondContact OD2-CE 3.22Å; D215-K218 WeakPolarHBondContact OD2-CG 3.13Å; D215-K218 IonicContact OD2-NZ 3.56Å; D215-K218 PolarHBondContact OD2-NZ 3.49Å; D215-I219 WeakPolarHBondContact O-CG1 3.3Å; D215-I219 PolarHBondContact O-N 2.82Å
216V95.6Very high95.8Very high7 Ų754.4 Ų54.44%0.04228%0.277CS..Hα-helixtrans-59.1-32.2-174175.30000112.4K214 I219 L220 I260 D264 K267 L268K214-V216 VanDerWaalsContact C-N 3.3Å; K214-V216 PolarHBondContact O-N 3.3Å; V216-I219 PolarHBondContact O-N 2.8Å; V216-L220 HydrophobicContact CG1-CD1 4.21Å; V216-L220 HydrophobicContact CG1-CG 4.44Å; V216-L220 WeakPolarHBondContact O-CB 3.04Å; V216-L220 WeakPolarHBondContact O-CG 3.36Å; V216-L220 PolarHBondContact O-N 3.05Å; V216-I260 HydrophobicContact CG2-CB 4.48Å; V216-I260 HydrophobicContact CG2-CD1 3.62Å; V216-I260 HydrophobicContact CG2-CG2 3.84Å; V216-D264 HydrophobicContact CG2-CB 4.03Å; V216-K267 HydrophobicContact CG1-CB 4.05Å; V216-K267 HydrophobicContact CG1-CD 4.03Å; V216-L268 HydrophobicContact CG1-CD1 4.48Å; V216-L268 HydrophobicContact CG1-CD2 4.02Å; V216-L268 HydrophobicContact CG1-CG 4.01Å
217D95.3Very high96Very high99 Ų9955.8 Ų55.853%0.52928%0.283SS..Hα-helixtrans-69.6-41.9179.9-64.8-28.2000110.8D215 L220 L221D215-D217 PolarHBondContact O-N 2.61Å; D217-L220 WeakPolarHBondContact O-CB 3.26Å; D217-L220 PolarHBondContact O-N 3.08Å; D217-L221 WeakPolarHBondContact O-CG 3.43Å; D217-L221 PolarHBondContact O-N 3.19Å; D217-L221 VanDerWaalsContact O-N 3.11Å
218K96.8Very high96.3Very high111 Ų11155.5 Ų55.548%0.48328%0.284SS..Hα-helixtrans-65.9-39.4171.6-71.1-174.6-171.6133.10112.5V211 D215 L220 L221 I222V211-K218 HydrophobicContact CG2-CB 3.66Å; V211-K218 HydrophobicContact CG2-CD 4.09Å; D215-K218 HydrophobicContact CB-CB 4.29Å; D215-K218 HydrophobicContact CB-CD 4.41Å; D215-K218 HydrophobicContact CB-CG 4.49Å; D215-K218 PolarHBondContact O-N 3.03Å; D215-K218 VanDerWaalsContact O-N 3.16Å; D215-K218 PolarHBondContact OD1-N 3.43Å; D215-K218 WeakPolarHBondContact OD2-CD 3.1Å; D215-K218 WeakPolarHBondContact OD2-CE 3.22Å; D215-K218 WeakPolarHBondContact OD2-CG 3.13Å; D215-K218 IonicContact OD2-NZ 3.56Å; D215-K218 PolarHBondContact OD2-NZ 3.49Å; K218-L220 VanDerWaalsContact C-N 3.28Å; K218-L220 PolarHBondContact O-N 3.36Å; K218-L221 PolarHBondContact O-N 2.89Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 2.94Å
219I97.8Very high96.5Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-61.6-39.1175.2-63.9-65.6000110.8V211 L213 D215 V216 I222 T223 Y252 L268V211-I219 HydrophobicContact CG1-CD1 3.77Å; V211-I219 HydrophobicContact CG2-CD1 4.12Å; L213-I219 HydrophobicContact CD2-CD1 3.86Å; D215-I219 WeakPolarHBondContact O-CG1 3.3Å; D215-I219 PolarHBondContact O-N 2.82Å; V216-I219 PolarHBondContact O-N 2.8Å; I219-I222 PolarHBondContact O-N 2.81Å; I219-T223 HydrophobicContact CG2-CG2 4.16Å; I219-T223 WeakPolarHBondContact O-CB 3.39Å; I219-T223 VanDerWaalsContact O-CG2 3.27Å; I219-T223 WeakPolarHBondContact O-CG2 3.49Å; I219-T223 PolarHBondContact O-N 3.48Å; I219-T223 PolarHBondContact O-OG1 3.32Å; I219-Y252 HydrophobicContact CD1-CD1 4.08Å; I219-L268 HydrophobicContact CG2-CD2 3.99Å
220L97.1Very high96.6Very high47 Ų4754.9 Ų54.925%0.24628%0.278CS..Hα-helixtrans-62.3-41.6174.4-79.4170.2000112.4V216 D217 K218 T223 E224 K267 L268 I271V216-L220 HydrophobicContact CG1-CD1 4.21Å; V216-L220 HydrophobicContact CG1-CG 4.44Å; V216-L220 WeakPolarHBondContact O-CB 3.04Å; V216-L220 WeakPolarHBondContact O-CG 3.36Å; V216-L220 PolarHBondContact O-N 3.05Å; D217-L220 WeakPolarHBondContact O-CB 3.26Å; D217-L220 PolarHBondContact O-N 3.08Å; K218-L220 VanDerWaalsContact C-N 3.28Å; K218-L220 PolarHBondContact O-N 3.36Å; L220-T223 VanDerWaalsContact CA-OG1 3.29Å; L220-T223 WeakPolarHBondContact CA-OG1 3.42Å; L220-T223 PolarHBondContact O-N 3.14Å; L220-T223 PolarHBondContact O-OG1 3.34Å; L220-T223 VanDerWaalsContact O-OG1 3.07Å; L220-E224 VanDerWaalsContact O-CB 3.31Å; L220-E224 WeakPolarHBondContact O-CB 3.3Å; L220-E224 PolarHBondContact O-N 3.37Å; L220-K267 HydrophobicContact CD1-CB 4.22Å; L220-L268 HydrophobicContact CD2-CD2 3.78Å; L220-L268 HydrophobicContact CG-CD2 3.9Å; L220-I271 HydrophobicContact CD2-CG2 4.06Å
221L97.4Very high97Very high128 Ų12849.5 Ų49.567%0.6725%0.249SC*.Hα-helixtrans-62.2-46.6175.6-67.1172.7000111.9D217 K218 E224 D225D217-L221 WeakPolarHBondContact O-CG 3.43Å; D217-L221 PolarHBondContact O-N 3.19Å; D217-L221 VanDerWaalsContact O-N 3.11Å; K218-L221 PolarHBondContact O-N 2.89Å; L221-E224 PolarHBondContact O-N 2.72Å; L221-D225 PolarHBondContact O-N 3.25Å; L221-D225 VanDerWaalsContact O-N 3.08Å
222I97.9Very high97.2Very high21 Ų2152.3 Ų52.311%0.10827%0.266CS..Hα-helixtrans-61.1-47.5177.6-67.8167.1000110.7H202 V211 K218 I219 E224 D225 L226 Y252H202-I222 HydrophobicContact CB-CG2 4.35Å; V211-I222 HydrophobicContact CB-CD1 4.02Å; V211-I222 HydrophobicContact CG1-CD1 3.76Å; V211-I222 HydrophobicContact CG2-CD1 4.13Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 2.94Å; I219-I222 PolarHBondContact O-N 2.81Å; I222-E224 VanDerWaalsContact C-N 3.32Å; I222-E224 PolarHBondContact O-N 3.32Å; I222-D225 PolarHBondContact O-N 3.24Å; I222-L226 HydrophobicContact CG2-CD1 3.89Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 WeakPolarHBondContact O-CB 3.48Å; I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.18Å; I222-Y252 HydrophobicContact CD1-CE1 4.36Å; I222-Y252 HydrophobicContact CG2-CD1 3.97Å; I222-Y252 HydrophobicContact CG2-CE1 3.84Å; I222-Y252 HydrophobicContact CG2-CG 4.36Å
223T98.1Very high97.4Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-67.4-33.4-177.849.90000112.2I219 L220 K227 V249 V253 I271I219-T223 HydrophobicContact CG2-CG2 4.16Å; I219-T223 WeakPolarHBondContact O-CB 3.39Å; I219-T223 VanDerWaalsContact O-CG2 3.27Å; I219-T223 WeakPolarHBondContact O-CG2 3.49Å; I219-T223 PolarHBondContact O-N 3.48Å; I219-T223 PolarHBondContact O-OG1 3.32Å; L220-T223 VanDerWaalsContact CA-OG1 3.29Å; L220-T223 WeakPolarHBondContact CA-OG1 3.42Å; L220-T223 PolarHBondContact O-N 3.14Å; L220-T223 PolarHBondContact O-OG1 3.34Å; L220-T223 VanDerWaalsContact O-OG1 3.07Å; T223-K227 VanDerWaalsContact O-CB 3.22Å; T223-K227 WeakPolarHBondContact O-CB 3.41Å; T223-K227 PolarHBondContact O-N 2.85Å; T223-V249 HydrophobicContact CG2-CG1 3.9Å; T223-V249 WeakPolarHBondContact O-CG2 3.47Å; T223-V253 HydrophobicContact CG2-CG2 4.15Å; T223-I271 WeakPolarHBondContact OG1-CD1 3.46Å
224E98.3Very high97.6Very high73 Ų7350.7 Ų50.734%0.34125%0.253SS..Hα-helixtrans-66.8-44.1174.2-171.660-152.100111.8L220 L221 I222 K227 N228 I271L220-E224 VanDerWaalsContact O-CB 3.31Å; L220-E224 WeakPolarHBondContact O-CB 3.3Å; L220-E224 PolarHBondContact O-N 3.37Å; L221-E224 PolarHBondContact O-N 2.72Å; I222-E224 VanDerWaalsContact C-N 3.32Å; I222-E224 PolarHBondContact O-N 3.32Å; E224-K227 PolarHBondContact O-N 3.22Å; E224-K227 WeakPolarHBondContact OE1-CE 3.47Å; E224-K227 IonicContact OE1-NZ 2.7Å; E224-K227 PolarHBondContact OE1-NZ 3.3Å; E224-K227 WeakPolarHBondContact OE2-CE 3.37Å; E224-K227 IonicContact OE2-NZ 3.77Å; E224-K227 PolarHBondContact OE2-NZ 3.39Å; E224-N228 WeakPolarHBondContact O-CB 3.41Å; E224-N228 PolarHBondContact O-N 2.93Å; E224-N228 PolarHBondContact O-ND2 3.47Å; E224-N228 VanDerWaalsContact O-ND2 3.09Å; E224-I271 HydrophobicContact CB-CD1 4.39Å
225D98.1Very high97.7Very high64 Ų6452.3 Ų52.334%0.34226%0.26SS..Hα-helixtrans-58.2-53.5174.4-178.331.6000111.3H202 L221 I222 K227 N228 I229H202-D225 IonicContact CD2-OD2 2.68Å; H202-D225 IonicContact CE1-OD2 2.78Å; H202-D225 IonicContact NE2-OD2 2.8Å; H202-D225 PolarHBondContact NE2-OD2 3.32Å; L221-D225 PolarHBondContact O-N 3.25Å; L221-D225 VanDerWaalsContact O-N 3.08Å; I222-D225 PolarHBondContact O-N 3.24Å; D225-K227 VanDerWaalsContact C-N 3.32Å; D225-K227 PolarHBondContact O-N 3.09Å; D225-N228 WeakPolarHBondContact O-CA 3.21Å; D225-N228 WeakPolarHBondContact O-CB 3.19Å; D225-N228 PolarHBondContact O-N 2.93Å; D225-I229 WeakPolarHBondContact O-CG1 3.29Å; D225-I229 PolarHBondContact O-N 3.33Å
226L98.5Very high97.8Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-58.3-41.1176.9-70.5175000113D200 H202 I222 N228 I229 G230 K248 V249 Y252D200-L226 WeakPolarHBondContact OD1-CD2 3.41Å; D200-L226 WeakPolarHBondContact OD2-CD2 3.34Å; H202-L226 HydrophobicContact CB-CD2 4.4Å; I222-L226 HydrophobicContact CG2-CD1 3.89Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 WeakPolarHBondContact O-CB 3.48Å; I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.18Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.4Å; L226-I229 PolarHBondContact O-N 2.92Å; L226-G230 PolarHBondContact O-N 3.22Å; L226-K248 HydrophobicContact CD1-CD 4.13Å; L226-K248 HydrophobicContact CD1-CG 3.95Å; L226-K248 HydrophobicContact CD2-CD 3.87Å; L226-V249 HydrophobicContact CB-CG2 3.48Å; L226-V249 VanDerWaalsContact CB-CG2 3.48Å; L226-V249 HydrophobicContact CD1-CG2 4.38Å; L226-Y252 HydrophobicContact CD1-CD2 3.92Å; L226-Y252 HydrophobicContact CD1-CE2 4.06Å
227K98.6Very high97.9Very high30 Ų3060.4 Ų60.413%0.1331%0.306CS..Hα-helixtrans-62.1-40.3175.1-175-166.276.8-169.10110.9T223 E224 D225 G230 N231 Y246 V249 I271T223-K227 VanDerWaalsContact O-CB 3.22Å; T223-K227 WeakPolarHBondContact O-CB 3.41Å; T223-K227 PolarHBondContact O-N 2.85Å; E224-K227 PolarHBondContact O-N 3.22Å; E224-K227 WeakPolarHBondContact OE1-CE 3.47Å; E224-K227 IonicContact OE1-NZ 2.7Å; E224-K227 PolarHBondContact OE1-NZ 3.3Å; E224-K227 WeakPolarHBondContact OE2-CE 3.37Å; E224-K227 IonicContact OE2-NZ 3.77Å; E224-K227 PolarHBondContact OE2-NZ 3.39Å; D225-K227 VanDerWaalsContact C-N 3.32Å; D225-K227 PolarHBondContact O-N 3.09Å; K227-G230 CarbonylContact O-C 3.56Å; K227-G230 PolarHBondContact O-N 2.9Å; K227-N231 PolarHBondContact O-N 2.78Å; K227-N231 PolarHBondContact O-ND2 3.23Å; K227-N231 PolarHBondContact O-OD1 3.15Å; K227-Y246 HydrophobicContact CG-CD1 4.43Å; K227-Y246 HydrophobicContact CG-CE1 4.11Å; K227-V249 HydrophobicContact CB-CG2 4.3Å; K227-I271 HydrophobicContact CD-CD1 4.39Å; K227-I271 HydrophobicContact CD-CG1 4.34Å
228N98.5Very high98Very high71 Ų7158.7 Ų58.738%0.3830%0.297SS..Hα-helixtrans-66.4-39.7178.1-71.8-31.5000112.1E224 D225 L226 G230 N231 T232E224-N228 WeakPolarHBondContact O-CB 3.41Å; E224-N228 PolarHBondContact O-N 2.93Å; E224-N228 PolarHBondContact O-ND2 3.47Å; E224-N228 VanDerWaalsContact O-ND2 3.09Å; D225-N228 WeakPolarHBondContact O-CA 3.21Å; D225-N228 WeakPolarHBondContact O-CB 3.19Å; D225-N228 PolarHBondContact O-N 2.93Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 3.4Å; N228-G230 VanDerWaalsContact C-N 3.34Å; N228-N231 WeakPolarHBondContact O-CB 3.37Å; N228-N231 PolarHBondContact O-N 2.85Å; N228-T232 PolarHBondContact O-N 2.76Å; N228-T232 PolarHBondContact O-OG1 2.79Å
229I98.3Very high98.1Very high18 Ų1855.7 Ų55.79%0.09228%0.282CS..Hα-helixtrans-60.4-45.6170.6-59.9172.8000110.4D200 D225 L226 N231 T232 F233 K245D200-I229 HydrophobicContact CB-CD1 3.8Å; D225-I229 WeakPolarHBondContact O-CG1 3.29Å; D225-I229 PolarHBondContact O-N 3.33Å; L226-I229 PolarHBondContact O-N 2.92Å; I229-N231 VanDerWaalsContact C-N 3.31Å; I229-N231 PolarHBondContact O-N 3.18Å; I229-T232 WeakPolarHBondContact O-CB 3.28Å; I229-T232 PolarHBondContact O-N 2.95Å; I229-T232 VanDerWaalsContact O-N 3.12Å; I229-F233 HydrophobicContact CG2-CD2 4.2Å; I229-F233 HydrophobicContact CG2-CE2 3.87Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.27Å; I229-K245 HydrophobicContact CG2-CD 4.13Å; I229-K245 HydrophobicContact CG2-CG 4.02Å
230G98.3Very high98Very high0 Ų061.4 Ų61.40%031%0.309CS..Hα-helixtrans-57.2-41.7173.800000113L226 K227 N228 T232 F233 F234 A242 Y246L226-G230 PolarHBondContact O-N 3.22Å; K227-G230 CarbonylContact O-C 3.56Å; K227-G230 PolarHBondContact O-N 2.9Å; N228-G230 VanDerWaalsContact C-N 3.34Å; G230-T232 VanDerWaalsContact C-N 3.32Å; G230-T232 PolarHBondContact O-N 3.39Å; G230-F233 PolarHBondContact O-N 2.8Å; G230-F234 PolarHBondContact O-N 2.93Å; G230-A242 WeakPolarHBondContact O-CB 3.01Å; G230-Y246 PolarHBondContact O-OH 2.79Å
231N98.5Very high97.9Very high39 Ų3960.6 Ų60.621%0.20930%0.304CS..Hα-helixtrans-64-35.4176.1-66.4-23.9000112.4K227 N228 I229 F234 K235 Y246K227-N231 PolarHBondContact O-N 2.78Å; K227-N231 PolarHBondContact O-ND2 3.23Å; K227-N231 PolarHBondContact O-OD1 3.15Å; N228-N231 WeakPolarHBondContact O-CB 3.37Å; N228-N231 PolarHBondContact O-N 2.85Å; I229-N231 VanDerWaalsContact C-N 3.31Å; I229-N231 PolarHBondContact O-N 3.18Å; N231-F234 PolarHBondContact O-N 2.93Å; N231-K235 VanDerWaalsContact O-CG 3.29Å; N231-K235 WeakPolarHBondContact O-CG 3.38Å; N231-K235 PolarHBondContact O-N 3.03Å; N231-Y246 WeakPolarHBondContact CA-OH 3.28Å; N231-Y246 PolarHBondContact N-OH 3.28Å; N231-Y246 PolarHBondContact OD1-OH 3.23Å
232T98.4Very high98Very high85 Ų8554.5 Ų54.552%0.52127%0.272SS..Hα-helixtrans-62.6-44.6174.5-63.30000111.2N228 I229 G230 K235 S236N228-T232 PolarHBondContact O-N 2.76Å; N228-T232 PolarHBondContact O-OG1 2.79Å; I229-T232 WeakPolarHBondContact O-CB 3.28Å; I229-T232 PolarHBondContact O-N 2.95Å; I229-T232 VanDerWaalsContact O-N 3.12Å; G230-T232 VanDerWaalsContact C-N 3.32Å; G230-T232 PolarHBondContact O-N 3.39Å; T232-K235 PolarHBondContact O-N 3.4Å; T232-S236 PolarHBondContact O-N 2.83Å; T232-S236 VanDerWaalsContact O-N 3.12Å; T232-S236 PolarHBondContact O-OG 3.45Å
233F98.2Very high98Very high34 Ų3455.1 Ų55.115%0.14928%0.276CS..Hα-helixtrans-65.4-40.4173.8-73.7-60000112.5I229 G230 K235 S236 Q237 N238 M241 A242 K245I229-F233 HydrophobicContact CG2-CD2 4.2Å; I229-F233 HydrophobicContact CG2-CE2 3.87Å; I229-F233 WeakPolarHBondContact O-CD2 3.36Å; I229-F233 PolarHBondContact O-N 3.27Å; G230-F233 PolarHBondContact O-N 2.8Å; F233-K235 PolarHBondContact O-N 3.17Å; F233-S236 CarbonylContact O-C 3.57Å; F233-S236 PolarHBondContact O-N 2.85Å; F233-S236 VanDerWaalsContact O-N 3.15Å; F233-Q237 PolarHBondContact O-N 2.65Å; F233-Q237 VanDerWaalsContact O-N 3.13Å; F233-N238 HydrophobicContact CB-CB 4.31Å; F233-N238 HydrophobicContact CD1-CB 4.04Å; F233-N238 PolarHBondContact O-N 2.95Å; F233-M241 HydrophobicContact CB-CB 4.12Å; F233-M241 HydrophobicContact CD1-CB 3.64Å; F233-M241 HydrophobicContact CD1-CG 4.35Å; F233-M241 HydrophobicContact CD2-CB 3.77Å; F233-M241 HydrophobicContact CE1-CB 3.9Å; F233-M241 HydrophobicContact CE1-CG 4.22Å; F233-M241 HydrophobicContact CE2-CB 4.01Å; F233-M241 HydrophobicContact CE2-CE 4.16Å; F233-M241 HydrophobicContact CG-CB 3.57Å; F233-M241 HydrophobicContact CZ-CB 4.07Å; F233-M241 HydrophobicContact CZ-CE 4.02Å; F233-M241 HydrophobicContact CZ-CG 4.43Å; F233-A242 HydrophobicContact CB-CB 3.9Å; F233-K245 HydrophobicContact CD2-CG 4.12Å; F233-K245 HydrophobicContact CE2-CG 4.19Å
234F98.2Very high97.9Very high59 Ų5959.6 Ų59.626%0.25930%0.295SS..Hα-helixtrans-58.7-47176.2-171.4-81.9000111.8G230 N231 S236 Q237 W239 A242 A281 C282G230-F234 PolarHBondContact O-N 2.93Å; N231-F234 PolarHBondContact O-N 2.93Å; F234-S236 PolarHBondContact O-N 3.29Å; F234-Q237 PolarHBondContact O-N 2.93Å; F234-W239 HydrophobicContact CD1-CZ3 4.03Å; F234-W239 AromaticContact CD2-CE3 3.99Å; F234-W239 HydrophobicContact CD2-CE3 3.99Å; F234-W239 AromaticContact CD2-CZ3 3.75Å; F234-W239 HydrophobicContact CD2-CZ3 3.75Å; F234-W239 HydrophobicContact CE1-CZ3 4.01Å; F234-W239 HydrophobicContact CE2-CE3 4.1Å; F234-W239 AromaticContact CE2-CZ3 3.73Å; F234-W239 HydrophobicContact CE2-CZ3 3.73Å; F234-W239 HydrophobicContact CG-CE3 4.44Å; F234-W239 AromaticContact CG-CZ3 3.89Å; F234-W239 HydrophobicContact CG-CZ3 3.89Å; F234-W239 AromaticContact CZ-CZ3 3.86Å; F234-W239 HydrophobicContact CZ-CZ3 3.86Å; F234-W239 WeakPolarHBondContact O-CZ3 3.48Å; F234-A242 HydrophobicContact CB-CB 4.18Å; F234-A281 HydrophobicContact CE2-CB 4.15Å; F234-A281 HydrophobicContact CZ-CB 4.41Å; F234-C282 WeakPolarHBondContact CD2-SG 3.43Å
235K98.2Very high97.9Very high166 Ų16656.3 Ų56.372%0.72228%0.28SS*.Hα-helixtrans-62.3-34.3177.2-72.2170.3-175.2175.40112.2N231 T232 F233 Q237N231-K235 VanDerWaalsContact O-CG 3.29Å; N231-K235 WeakPolarHBondContact O-CG 3.38Å; N231-K235 PolarHBondContact O-N 3.03Å; T232-K235 PolarHBondContact O-N 3.4Å; F233-K235 PolarHBondContact O-N 3.17Å; K235-Q237 PolarHBondContact O-N 3.12Å
236S97.6Very high97.9Very high85 Ų8553.3 Ų53.359%0.59426%0.264SS*.THydrogen-bonded Turntrans-82.77.3176.8-50.10000113.2T232 F233 F234 N238T232-S236 PolarHBondContact O-N 2.83Å; T232-S236 VanDerWaalsContact O-N 3.12Å; T232-S236 PolarHBondContact O-OG 3.45Å; F233-S236 CarbonylContact O-C 3.57Å; F233-S236 PolarHBondContact O-N 2.85Å; F233-S236 VanDerWaalsContact O-N 3.15Å; F234-S236 PolarHBondContact O-N 3.29Å; S236-N238 PolarHBondContact O-N 3.22Å; S236-N238 VanDerWaalsContact O-N 3.15Å
237Q98Very high97.9Very high139 Ų13954.8 Ų54.865%0.6528%0.276SS*.THydrogen-bonded Turntrans59.419.1-178.2-51.3-173.63200114.8F233 F234 K235 W239F233-Q237 PolarHBondContact O-N 2.65Å; F233-Q237 VanDerWaalsContact O-N 3.13Å; F234-Q237 PolarHBondContact O-N 2.93Å; K235-Q237 PolarHBondContact O-N 3.12Å; Q237-W239 VanDerWaalsContact C-N 3.35Å; Q237-W239 HydrophobicContact CB-CH2 3.93Å; Q237-W239 HydrophobicContact CB-CZ2 3.46Å; Q237-W239 VanDerWaalsContact CB-CZ2 3.46Å; Q237-W239 HydrophobicContact CG-CH2 3.84Å; Q237-W239 HydrophobicContact CG-CZ2 3.66Å; Q237-W239 PolarHBondContact O-N 3.03Å; Q237-W239 VanDerWaalsContact O-N 3.16Å; Q237-W239 PolarHBondContact O-NE1 2.7Å
238N97.7Very high97.8Very high63 Ų6353.5 Ų53.534%0.33727%0.27SS..  trans-87.379.9171.8-170-24.4000109.2F233 S236 E240 M241 A242F233-N238 HydrophobicContact CB-CB 4.31Å; F233-N238 HydrophobicContact CD1-CB 4.04Å; F233-N238 PolarHBondContact O-N 2.95Å; S236-N238 PolarHBondContact O-N 3.22Å; S236-N238 VanDerWaalsContact O-N 3.15Å; N238-E240 VanDerWaalsContact C-N 3.33Å; N238-E240 PolarHBondContact O-N 3.1Å; N238-M241 HydrophobicContact CB-CB 4.5Å; N238-M241 WeakPolarHBondContact ND2-CG 3.32Å; N238-M241 WeakPolarHBondContact OD1-CB 3.29Å; N238-M241 WeakPolarHBondContact OD1-CG 3.48Å; N238-M241 PolarHBondContact OD1-N 2.7Å; N238-M241 VanDerWaalsContact OD1-N 3.15Å; N238-A242 WeakPolarHBondContact O-CB 3.34Å; N238-A242 PolarHBondContact O-N 3.41Å
239W98Very high97.8Very high47 Ų4750.1 Ų50.118%0.17825%0.252CS..Hα-helixtrans-64-36.9-172.7-46.8120.6000112.9F234 Q237 A242 I243 C282 K285 M286F234-W239 HydrophobicContact CD1-CZ3 4.03Å; F234-W239 AromaticContact CD2-CE3 3.99Å; F234-W239 HydrophobicContact CD2-CE3 3.99Å; F234-W239 AromaticContact CD2-CZ3 3.75Å; F234-W239 HydrophobicContact CD2-CZ3 3.75Å; F234-W239 HydrophobicContact CE1-CZ3 4.01Å; F234-W239 HydrophobicContact CE2-CE3 4.1Å; F234-W239 AromaticContact CE2-CZ3 3.73Å; F234-W239 HydrophobicContact CE2-CZ3 3.73Å; F234-W239 HydrophobicContact CG-CE3 4.44Å; F234-W239 AromaticContact CG-CZ3 3.89Å; F234-W239 HydrophobicContact CG-CZ3 3.89Å; F234-W239 AromaticContact CZ-CZ3 3.86Å; F234-W239 HydrophobicContact CZ-CZ3 3.86Å; F234-W239 WeakPolarHBondContact O-CZ3 3.48Å; Q237-W239 VanDerWaalsContact C-N 3.35Å; Q237-W239 HydrophobicContact CB-CH2 3.93Å; Q237-W239 HydrophobicContact CB-CZ2 3.46Å; Q237-W239 VanDerWaalsContact CB-CZ2 3.46Å; Q237-W239 HydrophobicContact CG-CH2 3.84Å; Q237-W239 HydrophobicContact CG-CZ2 3.66Å; Q237-W239 PolarHBondContact O-N 3.03Å; Q237-W239 VanDerWaalsContact O-N 3.16Å; Q237-W239 PolarHBondContact O-NE1 2.7Å; W239-A242 PolarHBondContact O-N 2.75Å; W239-I243 VanDerWaalsContact O-CG1 3.24Å; W239-I243 WeakPolarHBondContact O-CG1 3.4Å; W239-I243 PolarHBondContact O-N 3.18Å; W239-C282 HydrophobicContact CB-CB 4.13Å; W239-K285 HydrophobicContact CD2-CB 3.89Å; W239-K285 HydrophobicContact CD2-CG 4.29Å; W239-K285 HydrophobicContact CE3-CB 4.44Å; W239-K285 HydrophobicContact CE3-CG 4.41Å; W239-K285 HydrophobicContact CG-CB 4.16Å; W239-K285 HydrophobicContact CH2-CD 4.48Å; W239-K285 HydrophobicContact CH2-CG 4.18Å; W239-K285 HydrophobicContact CZ2-CB 4.16Å; W239-K285 HydrophobicContact CZ2-CD 4.22Å; W239-K285 HydrophobicContact CZ2-CG 4.04Å; W239-K285 HydrophobicContact CZ3-CG 4.36Å; W239-M286 HydrophobicContact CB-CG 3.73Å; W239-M286 HydrophobicContact CB-SD 3.69Å; W239-M286 HydrophobicContact CG-CG 4.09Å
240E95.8Very high97.8Very high120 Ų12050.3 Ų50.356%0.56125%0.253SS*.Hα-helixtrans-66-48.3-179.3-69.5172.3176.300111.4N238 I243 K244 M286N238-E240 VanDerWaalsContact C-N 3.33Å; N238-E240 PolarHBondContact O-N 3.1Å; E240-I243 PolarHBondContact O-N 3.39Å; E240-K244 WeakPolarHBondContact O-CG 3.27Å; E240-K244 PolarHBondContact O-N 2.96Å; E240-M286 HydrophobicContact CG-CE 3.47Å; E240-M286 VanDerWaalsContact CG-CE 3.47Å; E240-M286 HydrophobicContact CG-SD 4.07Å; E240-M286 WeakPolarHBondContact OE1-CE 3.35Å
241M95.8Very high97.8Very high30 Ų3054 Ų5415%0.14827%0.267CS..Hα-helixtrans-67.6-37176.8-69.6-57.6-6300112.1D196 F233 N238 I243 K244 K245D196-M241 HydrophobicContact CB-CE 3.75Å; D196-M241 WeakPolarHBondContact OD2-CE 3.25Å; F233-M241 HydrophobicContact CB-CB 4.12Å; F233-M241 HydrophobicContact CD1-CB 3.64Å; F233-M241 HydrophobicContact CD1-CG 4.35Å; F233-M241 HydrophobicContact CD2-CB 3.77Å; F233-M241 HydrophobicContact CE1-CB 3.9Å; F233-M241 HydrophobicContact CE1-CG 4.22Å; F233-M241 HydrophobicContact CE2-CB 4.01Å; F233-M241 HydrophobicContact CE2-CE 4.16Å; F233-M241 HydrophobicContact CG-CB 3.57Å; F233-M241 HydrophobicContact CZ-CB 4.07Å; F233-M241 HydrophobicContact CZ-CE 4.02Å; F233-M241 HydrophobicContact CZ-CG 4.43Å; N238-M241 HydrophobicContact CB-CB 4.5Å; N238-M241 WeakPolarHBondContact ND2-CG 3.32Å; N238-M241 WeakPolarHBondContact OD1-CB 3.29Å; N238-M241 WeakPolarHBondContact OD1-CG 3.48Å; N238-M241 PolarHBondContact OD1-N 2.7Å; N238-M241 VanDerWaalsContact OD1-N 3.15Å; M241-I243 VanDerWaalsContact C-N 3.34Å; M241-I243 PolarHBondContact O-N 3.18Å; M241-K244 PolarHBondContact O-N 3.16Å; M241-K244 HydrophobicContact SD-CD 3.85Å; M241-K245 WeakPolarHBondContact O-CG 3.31Å; M241-K245 PolarHBondContact O-N 3.29Å
242A98.3Very high97.7Very high0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-58.5-47.3172.800000111G230 F233 F234 N238 W239 K244 K245 Y246G230-A242 WeakPolarHBondContact O-CB 3.01Å; F233-A242 HydrophobicContact CB-CB 3.9Å; F234-A242 HydrophobicContact CB-CB 4.18Å; N238-A242 WeakPolarHBondContact O-CB 3.34Å; N238-A242 PolarHBondContact O-N 3.41Å; W239-A242 PolarHBondContact O-N 2.75Å; A242-K244 PolarHBondContact O-N 2.92Å; A242-K245 PolarHBondContact O-N 3.37Å; A242-Y246 HydrophobicContact CB-CD2 4.41Å; A242-Y246 HydrophobicContact CB-CE2 3.9Å; A242-Y246 WeakPolarHBondContact O-CD2 3.16Å; A242-Y246 VanDerWaalsContact O-CG 3.31Å; A242-Y246 PolarHBondContact O-N 3.26Å
243I98.2Very high97.7Very high35 Ų3548.1 Ų48.118%0.17923%0.233CC..Hα-helixtrans-59.5-45.3174.8-69.9165.6000110.9W239 E240 M241 K245 Y246 A247 I279 C282 K283 M286W239-I243 VanDerWaalsContact O-CG1 3.24Å; W239-I243 WeakPolarHBondContact O-CG1 3.4Å; W239-I243 PolarHBondContact O-N 3.18Å; E240-I243 PolarHBondContact O-N 3.39Å; M241-I243 VanDerWaalsContact C-N 3.34Å; M241-I243 PolarHBondContact O-N 3.18Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 3.43Å; I243-Y246 PolarHBondContact O-N 3.08Å; I243-A247 VanDerWaalsContact O-CB 3.22Å; I243-A247 WeakPolarHBondContact O-CB 3.45Å; I243-A247 PolarHBondContact O-N 2.88Å; I243-I279 HydrophobicContact CG1-CG2 4.38Å; I243-I279 HydrophobicContact CG2-CG2 4.39Å; I243-C282 HydrophobicContact CD1-CB 3.55Å; I243-C282 HydrophobicContact CG1-CB 3.45Å; I243-C282 VanDerWaalsContact CG1-CB 3.45Å; I243-K283 HydrophobicContact CD1-CG 3.94Å; I243-M286 HydrophobicContact CD1-SD 3.98Å
244K96.2Very high97.6Very high94 Ų9451 Ų5141%0.40925%0.249SC..Hα-helixtrans-55.7-44.1178.8-76.4-178.9178179.50111.5E27 E240 M241 A242 K248E27-K244 IonicContact OE2-NZ 3.6Å; E27-K244 PolarHBondContact OE2-NZ 3.32Å; E240-K244 WeakPolarHBondContact O-CG 3.27Å; E240-K244 PolarHBondContact O-N 2.96Å; M241-K244 PolarHBondContact O-N 3.16Å; M241-K244 HydrophobicContact SD-CD 3.85Å; A242-K244 PolarHBondContact O-N 2.92Å; K244-K248 WeakPolarHBondContact O-CB 3.29Å; K244-K248 PolarHBondContact O-N 2.98Å
245K98.3Very high97.4Very high4 Ų449.7 Ų49.72%0.01725%0.248CC..Hα-helixtrans-72.6-42.7178.7-60.8-59.6-176.5-178.50113.1D196 S198 D200 I229 F233 M241 A242 I243 A247 K248 V249D196-K245 IonicContact OD1-NZ 3.47Å; D196-K245 WeakPolarHBondContact OD2-CE 3.28Å; D196-K245 IonicContact OD2-NZ 3.36Å; D196-K245 PolarHBondContact OD2-NZ 2.94Å; S198-K245 VanDerWaalsContact OG-CE 3.25Å; S198-K245 WeakPolarHBondContact OG-CE 3.45Å; S198-K245 PolarHBondContact OG-NZ 3.33Å; D200-K245 VanDerWaalsContact CB-NZ 3.31Å; D200-K245 IonicContact OD2-NZ 3.29Å; D200-K245 PolarHBondContact OD2-NZ 2.79Å; I229-K245 HydrophobicContact CG2-CD 4.13Å; I229-K245 HydrophobicContact CG2-CG 4.02Å; F233-K245 HydrophobicContact CD2-CG 4.12Å; F233-K245 HydrophobicContact CE2-CG 4.19Å; M241-K245 WeakPolarHBondContact O-CG 3.31Å; M241-K245 PolarHBondContact O-N 3.29Å; A242-K245 PolarHBondContact O-N 3.37Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 3.43Å; K245-A247 VanDerWaalsContact C-N 3.34Å; K245-A247 PolarHBondContact O-N 3Å; K245-K248 WeakPolarHBondContact O-CB 3.32Å; K245-K248 PolarHBondContact O-N 3.39Å; K245-V249 PolarHBondContact O-N 2.92Å
246Y98.6Very high97.3Very high1 Ų141.8 Ų41.80%0.00421%0.213CC..Hα-helixtrans-63.9-39.7174.9-62.1-44.8000112.2K227 G230 N231 A242 I243 K248 V249 L250 C275 N278 I279K227-Y246 HydrophobicContact CG-CD1 4.43Å; K227-Y246 HydrophobicContact CG-CE1 4.11Å; G230-Y246 PolarHBondContact O-OH 2.79Å; N231-Y246 WeakPolarHBondContact CA-OH 3.28Å; N231-Y246 PolarHBondContact N-OH 3.28Å; N231-Y246 PolarHBondContact OD1-OH 3.23Å; A242-Y246 HydrophobicContact CB-CD2 4.41Å; A242-Y246 HydrophobicContact CB-CE2 3.9Å; A242-Y246 WeakPolarHBondContact O-CD2 3.16Å; A242-Y246 VanDerWaalsContact O-CG 3.31Å; A242-Y246 PolarHBondContact O-N 3.26Å; I243-Y246 PolarHBondContact O-N 3.08Å; Y246-K248 VanDerWaalsContact C-N 3.27Å; Y246-K248 PolarHBondContact O-N 3.36Å; Y246-V249 WeakPolarHBondContact O-CB 3.5Å; Y246-V249 PolarHBondContact O-N 2.7Å; Y246-L250 WeakPolarHBondContact O-CG 3.26Å; Y246-L250 PolarHBondContact O-N 2.89Å; Y246-L250 VanDerWaalsContact O-N 3.09Å; Y246-C275 HydrophobicContact CD1-CB 4.35Å; Y246-N278 HydrophobicContact CD1-CB 4.46Å; Y246-N278 HydrophobicContact CD2-CB 3.79Å; Y246-N278 HydrophobicContact CE1-CB 4.17Å; Y246-N278 HydrophobicContact CE2-CB 3.46Å; Y246-N278 VanDerWaalsContact CE2-CB 3.46Å; Y246-N278 HydrophobicContact CG-CB 4.3Å; Y246-N278 PolarHBondContact OH-ND2 3.07Å; Y246-I279 HydrophobicContact CD2-CG1 4.13Å; Y246-I279 HydrophobicContact CG-CG1 4.28Å
247A97.6Very high97.2Very high31 Ų3139.8 Ų39.826%0.25619%0.194SC..Hα-helixtrans-64.3-34.6174.900000111.6I243 K245 L250 R251I243-A247 VanDerWaalsContact O-CB 3.22Å; I243-A247 WeakPolarHBondContact O-CB 3.45Å; I243-A247 PolarHBondContact O-N 2.88Å; K245-A247 VanDerWaalsContact C-N 3.34Å; K245-A247 PolarHBondContact O-N 3Å; A247-L250 PolarHBondContact O-N 2.82Å; A247-R251 WeakPolarHBondContact O-CG 3.45Å; A247-R251 PolarHBondContact O-N 2.61Å
248K97.8Very high97Very high2 Ų237 Ų371%0.00920%0.195CC..Hα-helixtrans-63.4-42.6172-173.4175.6174.1165.30112D200 H202 P203 D204 L226 K244 K245 Y246 L250 R251 Y252D200-K248 VanDerWaalsContact CG-NZ 3.29Å; D200-K248 IonicContact OD1-NZ 3.56Å; D200-K248 PolarHBondContact OD1-NZ 2.89Å; D200-K248 IonicContact OD2-NZ 2.69Å; D200-K248 PolarHBondContact OD2-NZ 3.48Å; H202-K248 PolarHBondContact O-NZ 3.41Å; P203-K248 WeakPolarHBondContact O-CE 3.22Å; P203-K248 PolarHBondContact O-NZ 3.11Å; D204-K248 IonicContact OD1-NZ 2.67Å; D204-K248 PolarHBondContact OD1-NZ 2.96Å; L226-K248 HydrophobicContact CD1-CD 4.13Å; L226-K248 HydrophobicContact CD1-CG 3.95Å; L226-K248 HydrophobicContact CD2-CD 3.87Å; K244-K248 WeakPolarHBondContact O-CB 3.29Å; K244-K248 PolarHBondContact O-N 2.98Å; K245-K248 WeakPolarHBondContact O-CB 3.32Å; K245-K248 PolarHBondContact O-N 3.39Å; Y246-K248 VanDerWaalsContact C-N 3.27Å; Y246-K248 PolarHBondContact O-N 3.36Å; K248-L250 VanDerWaalsContact C-N 3.29Å; K248-L250 PolarHBondContact O-N 3.31Å; K248-R251 WeakPolarHBondContact O-CB 3.42Å; K248-R251 PolarHBondContact O-N 3.14Å; K248-R251 VanDerWaalsContact O-N 3.17Å; K248-Y252 HydrophobicContact CG-CD2 4.22Å; K248-Y252 HydrophobicContact CG-CE2 4.17Å; K248-Y252 WeakPolarHBondContact O-CD2 3.34Å; K248-Y252 PolarHBondContact O-N 3.44Å; K248-Y252 VanDerWaalsContact O-N 3.1Å
249V98.6Very high96.8Very high0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-54.7-47.4171.8170.20000111T223 L226 K227 K245 Y246 R251 Y252 V253 I271 C275T223-V249 HydrophobicContact CG2-CG1 3.9Å; T223-V249 WeakPolarHBondContact O-CG2 3.47Å; L226-V249 HydrophobicContact CB-CG2 3.48Å; L226-V249 VanDerWaalsContact CB-CG2 3.48Å; L226-V249 HydrophobicContact CD1-CG2 4.38Å; K227-V249 HydrophobicContact CB-CG2 4.3Å; K245-V249 PolarHBondContact O-N 2.92Å; Y246-V249 WeakPolarHBondContact O-CB 3.5Å; Y246-V249 PolarHBondContact O-N 2.7Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.13Å; V249-Y252 PolarHBondContact O-N 2.82Å; V249-V253 HydrophobicContact CG1-CG2 4.35Å; V249-V253 WeakPolarHBondContact O-CG2 3.28Å; V249-V253 PolarHBondContact O-N 2.89Å; V249-I271 HydrophobicContact CG1-CG1 4.08Å; V249-C275 HydrophobicContact CG1-CB 4.31Å; V249-C275 WeakPolarHBondContact CG1-SG 3.44Å
250L98.1Very high96.5Very high22 Ų2235.6 Ų35.612%0.11519%0.193CC..Hα-helixtrans-61.4-39.6179.1-60.5179.9000112.1Y246 A247 K248 Y252 V253 D254 A272 C275 V276 I279Y246-L250 WeakPolarHBondContact O-CG 3.26Å; Y246-L250 PolarHBondContact O-N 2.89Å; Y246-L250 VanDerWaalsContact O-N 3.09Å; A247-L250 PolarHBondContact O-N 2.82Å; K248-L250 VanDerWaalsContact C-N 3.29Å; K248-L250 PolarHBondContact O-N 3.31Å; L250-Y252 PolarHBondContact O-N 2.98Å; L250-V253 PolarHBondContact O-N 2.7Å; L250-D254 WeakPolarHBondContact O-CB 3.4Å; L250-D254 VanDerWaalsContact O-CG 3.24Å; L250-D254 PolarHBondContact O-N 2.59Å; L250-A272 HydrophobicContact CD2-CB 4.02Å; L250-C275 HydrophobicContact CD2-CB 3.98Å; L250-C275 HydrophobicContact CG-CB 4.34Å; L250-V276 HydrophobicContact CD1-CG2 3.64Å; L250-V276 HydrophobicContact CD2-CG2 3.8Å; L250-V276 HydrophobicContact CG-CG2 4.38Å; L250-I279 HydrophobicContact CD1-CD1 3.73Å
251R97.3Very high96.1Very high79 Ų7937 Ų3730%0.29820%0.199SC..Hα-helixtrans-58-47.6173-68.4-168.3-61.3-86.69.1112.3D204 P206 A247 K248 V249 V253 D254 S255D204-R251 PolarHBondContact O-NE 3.36Å; D204-R251 PolarHBondContact O-NH2 3.43Å; P206-R251 HydrophobicContact CG-CB 4.3Å; A247-R251 WeakPolarHBondContact O-CG 3.45Å; A247-R251 PolarHBondContact O-N 2.61Å; K248-R251 WeakPolarHBondContact O-CB 3.42Å; K248-R251 PolarHBondContact O-N 3.14Å; K248-R251 VanDerWaalsContact O-N 3.17Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.13Å; R251-V253 VanDerWaalsContact C-N 3.32Å; R251-V253 PolarHBondContact O-N 3.05Å; R251-D254 PolarHBondContact O-N 3.5Å; R251-S255 WeakPolarHBondContact O-CB 3.44Å; R251-S255 PolarHBondContact O-N 2.84Å; R251-S255 PolarHBondContact O-OG 2.84Å; R251-S255 VanDerWaalsContact O-OG 3.13Å
252Y97.8Very high95.4Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-59.9-42.8176-88.8-92.7000112.3P203 P206 A209 I219 I222 L226 K248 V249 L250 S256P203-Y252 WeakPolarHBondContact O-CE2 3.19Å; P203-Y252 PolarHBondContact O-OH 3.28Å; P206-Y252 HydrophobicContact CB-CD1 3.83Å; P206-Y252 HydrophobicContact CB-CD2 4.43Å; P206-Y252 HydrophobicContact CB-CE1 3.88Å; P206-Y252 HydrophobicContact CB-CE2 4.47Å; P206-Y252 HydrophobicContact CB-CG 4.12Å; P206-Y252 VanDerWaalsContact CG-CA 3.5Å; P206-Y252 HydrophobicContact CG-CD1 3.98Å; P206-Y252 HydrophobicContact CG-CD2 3.76Å; P206-Y252 HydrophobicContact CG-CE1 4.25Å; P206-Y252 HydrophobicContact CG-CE2 4.04Å; P206-Y252 HydrophobicContact CG-CG 3.73Å; A209-Y252 HydrophobicContact CB-CE1 4.3Å; I219-Y252 HydrophobicContact CD1-CD1 4.08Å; I222-Y252 HydrophobicContact CD1-CE1 4.36Å; I222-Y252 HydrophobicContact CG2-CD1 3.97Å; I222-Y252 HydrophobicContact CG2-CE1 3.84Å; I222-Y252 HydrophobicContact CG2-CG 4.36Å; L226-Y252 HydrophobicContact CD1-CD2 3.92Å; L226-Y252 HydrophobicContact CD1-CE2 4.06Å; K248-Y252 HydrophobicContact CG-CD2 4.22Å; K248-Y252 HydrophobicContact CG-CE2 4.17Å; K248-Y252 WeakPolarHBondContact O-CD2 3.34Å; K248-Y252 PolarHBondContact O-N 3.44Å; K248-Y252 VanDerWaalsContact O-N 3.1Å; V249-Y252 PolarHBondContact O-N 2.82Å; L250-Y252 PolarHBondContact O-N 2.98Å; Y252-S256 VanDerWaalsContact O-CB 3.31Å; Y252-S256 WeakPolarHBondContact O-CB 3.37Å; Y252-S256 PolarHBondContact O-N 2.83Å
253V97.4Very high94.6Very high0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-62.4-48176.7168.90000111.3T223 V249 L250 R251 S256 K257 L268 I271 A272T223-V253 HydrophobicContact CG2-CG2 4.15Å; V249-V253 HydrophobicContact CG1-CG2 4.35Å; V249-V253 WeakPolarHBondContact O-CG2 3.28Å; V249-V253 PolarHBondContact O-N 2.89Å; L250-V253 PolarHBondContact O-N 2.7Å; R251-V253 VanDerWaalsContact C-N 3.32Å; R251-V253 PolarHBondContact O-N 3.05Å; V253-S256 PolarHBondContact O-N 2.59Å; V253-K257 HydrophobicContact CG1-CD 3.75Å; V253-K257 HydrophobicContact CG1-CG 4.2Å; V253-K257 WeakPolarHBondContact O-CB 3.34Å; V253-K257 VanDerWaalsContact O-CG 3.28Å; V253-K257 WeakPolarHBondContact O-CG 3.49Å; V253-K257 PolarHBondContact O-N 2.63Å; V253-L268 HydrophobicContact CG1-CB 3.9Å; V253-L268 HydrophobicContact CG1-CD1 4.38Å; V253-L268 HydrophobicContact CG2-CB 4.43Å; V253-I271 HydrophobicContact CG2-CG2 4.06Å; V253-A272 HydrophobicContact CG1-CB 4.11Å
254D95.8Very high94.1Very high93 Ų9345.5 Ų45.550%0.49726%0.261SS..Hα-helixtrans-68.7-42.2-175.5-67.8-21.3000111.5L250 R251 S256 K257 A258L250-D254 WeakPolarHBondContact O-CB 3.4Å; L250-D254 VanDerWaalsContact O-CG 3.24Å; L250-D254 PolarHBondContact O-N 2.59Å; R251-D254 PolarHBondContact O-N 3.5Å; D254-S256 VanDerWaalsContact C-N 3.33Å; D254-S256 PolarHBondContact O-N 3.25Å; D254-K257 PolarHBondContact O-N 2.97Å; D254-A258 WeakPolarHBondContact O-CB 3.48Å; D254-A258 PolarHBondContact O-N 2.78Å
255S95.2Very high93.8Very high33 Ų3345.6 Ų45.623%0.23126%0.259CS..Hα-helixtrans-63-38.6175.1-64.70000112.1R251R251-S255 WeakPolarHBondContact O-CB 3.44Å; R251-S255 PolarHBondContact O-N 2.84Å; R251-S255 PolarHBondContact O-OG 2.84Å; R251-S255 VanDerWaalsContact O-OG 3.13Å
256S95.9Very high93.4Very high0 Ų048 Ų480%028%0.28CS..Hα-helixtrans-68.6-47.1173.8-177.90000111.7L213 Y252 V253 D254 A258 V259 I260L213-S256 WeakPolarHBondContact O-CA 3.42Å; L213-S256 VanDerWaalsContact O-CB 3.31Å; L213-S256 WeakPolarHBondContact O-CB 3.33Å; L213-S256 PolarHBondContact O-OG 3.39Å; Y252-S256 VanDerWaalsContact O-CB 3.31Å; Y252-S256 WeakPolarHBondContact O-CB 3.37Å; Y252-S256 PolarHBondContact O-N 2.83Å; V253-S256 PolarHBondContact O-N 2.59Å; D254-S256 VanDerWaalsContact C-N 3.33Å; D254-S256 PolarHBondContact O-N 3.25Å; S256-A258 PolarHBondContact O-N 3.27Å; S256-A258 VanDerWaalsContact O-N 3.16Å; S256-V259 VanDerWaalsContact O-CG2 3.3Å; S256-V259 WeakPolarHBondContact O-CG2 3.23Å; S256-V259 PolarHBondContact O-N 3.38Å; S256-I260 WeakPolarHBondContact O-CG1 3.47Å; S256-I260 WeakPolarHBondContact O-CG2 3.31Å; S256-I260 PolarHBondContact O-N 3.13Å
257K94.7Very high93.2Very high43 Ų4352.6 Ų52.619%0.18730%0.3CS..Hα-helixtrans-56.2-33.2176.9-79.2176.9179.2169.30113.2V253 D254 V259 R265 L268V253-K257 HydrophobicContact CG1-CD 3.75Å; V253-K257 HydrophobicContact CG1-CG 4.2Å; V253-K257 WeakPolarHBondContact O-CB 3.34Å; V253-K257 VanDerWaalsContact O-CG 3.28Å; V253-K257 WeakPolarHBondContact O-CG 3.49Å; V253-K257 PolarHBondContact O-N 2.63Å; D254-K257 PolarHBondContact O-N 2.97Å; K257-V259 PolarHBondContact O-N 3.38Å; K257-R265 HydrophobicContact CG-CB 4.35Å; K257-R265 HydrophobicContact CG-CG 4.17Å; K257-R265 PolarHBondContact O-NE 3.02Å; K257-R265 PolarHBondContact O-NH2 3.25Å; K257-L268 HydrophobicContact CG-CD1 4.03Å
258A93.8Very high93Very high80 Ų8051.1 Ų51.166%0.66129%0.288SS*.THydrogen-bonded Turntrans-66.1-23.3179.100000113.6D254 S256D254-A258 WeakPolarHBondContact O-CB 3.48Å; D254-A258 PolarHBondContact O-N 2.78Å; S256-A258 PolarHBondContact O-N 3.27Å; S256-A258 VanDerWaalsContact O-N 3.16Å
259V93.4Very high92.9Very high69 Ų6955.3 Ų55.342%0.41831%0.307SS..THydrogen-bonded Turntrans-116.2-6.9-173.8-58.50000114.7L213 K214 S256 K257L213-V259 HydrophobicContact CB-CG2 3.77Å; K214-V259 HydrophobicContact CG-CB 4.25Å; K214-V259 HydrophobicContact CG-CG2 3.79Å; S256-V259 VanDerWaalsContact O-CG2 3.3Å; S256-V259 WeakPolarHBondContact O-CG2 3.23Å; S256-V259 PolarHBondContact O-N 3.38Å; K257-V259 PolarHBondContact O-N 3.38Å
260I91.9Very high92.8Very high11 Ų1158.9 Ų58.96%0.05633%0.331CS..SBendtrans-103.6157.9179.567.8-177000113.4K214 V216 S256 D264 R265 L268K214-I260 HydrophobicContact CB-CG2 4.28Å; K214-I260 HydrophobicContact CG-CG2 4.45Å; V216-I260 HydrophobicContact CG2-CB 4.48Å; V216-I260 HydrophobicContact CG2-CD1 3.62Å; V216-I260 HydrophobicContact CG2-CG2 3.84Å; S256-I260 WeakPolarHBondContact O-CG1 3.47Å; S256-I260 WeakPolarHBondContact O-CG2 3.31Å; S256-I260 PolarHBondContact O-N 3.13Å; I260-D264 HydrophobicContact CD1-CB 4.11Å; I260-R265 HydrophobicContact CD1-CG 3.9Å; I260-R265 HydrophobicContact CG1-CG 3.75Å; I260-R265 PolarHBondContact O-NE 3.37Å; I260-R265 VanDerWaalsContact O-NE 3.17Å; I260-R265 PolarHBondContact O-NH2 3.3Å; I260-R265 VanDerWaalsContact O-NH2 3.08Å; I260-L268 HydrophobicContact CD1-CD1 3.91Å
261E86.8Confident92.8Very high149 Ų14958.4 Ų58.470%0.69633%0.328SS*.  trans-66.8155.6173.3-66.1-5915100112.7A263 D264 R265E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.13Å; E261-D264 PolarHBondContact O-N 3.37Å; E261-R265 PolarHBondContact O-N 2.85Å
262T81.8Confident92.8Very high104 Ų10454.8 Ų54.864%0.63832%0.315SS*.Hα-helixtrans-58.8-35.2-171.3-54.80000113.8D264 R265T262-D264 PolarHBondContact O-N 3.29Å; T262-R265 WeakPolarHBondContact O-CB 3.45Å; T262-R265 PolarHBondContact O-N 3.41Å
263A82.5Confident92.8Very high84 Ų8456 Ų5669%0.69432%0.321SS*.Hα-helixtrans-64.1-39.6-177.900000112.7E261E261-A263 VanDerWaalsContact C-N 3.29Å; E261-A263 PolarHBondContact O-N 3.13Å
264D86.8Confident92.8Very high56 Ų5659.6 Ų59.630%0.29934%0.34SS..Hα-helixtrans-78.4-21.2-179.3-70.9-54.2000113V216 I260 E261 T262 A266 K267V216-D264 HydrophobicContact CG2-CB 4.03Å; I260-D264 HydrophobicContact CD1-CB 4.11Å; E261-D264 PolarHBondContact O-N 3.37Å; T262-D264 PolarHBondContact O-N 3.29Å; D264-A266 PolarHBondContact O-N 3.17Å; D264-K267 WeakPolarHBondContact O-CB 3.29Å; D264-K267 PolarHBondContact O-N 2.84Å; D264-K267 WeakPolarHBondContact OD1-CE 3.25Å; D264-K267 IonicContact OD1-NZ 2.65Å; D264-K267 PolarHBondContact OD1-NZ 3.13Å
265R89.8Confident93Very high96 Ų9655.1 Ų55.136%0.36232%0.317SS..Hα-helixtrans-58.4-31.1175.3-61.9-178.8-173.2-176.6-1.8112.5K257 I260 E261 T262 K267 L268 Q269K257-R265 HydrophobicContact CG-CB 4.35Å; K257-R265 HydrophobicContact CG-CG 4.17Å; K257-R265 PolarHBondContact O-NE 3.02Å; K257-R265 PolarHBondContact O-NH2 3.25Å; I260-R265 HydrophobicContact CD1-CG 3.9Å; I260-R265 HydrophobicContact CG1-CG 3.75Å; I260-R265 PolarHBondContact O-NE 3.37Å; I260-R265 VanDerWaalsContact O-NE 3.17Å; I260-R265 PolarHBondContact O-NH2 3.3Å; I260-R265 VanDerWaalsContact O-NH2 3.08Å; E261-R265 PolarHBondContact O-N 2.85Å; T262-R265 WeakPolarHBondContact O-CB 3.45Å; T262-R265 PolarHBondContact O-N 3.41Å; R265-K267 PolarHBondContact O-N 2.81Å; R265-L268 PolarHBondContact O-N 2.93Å; R265-Q269 PolarHBondContact O-N 2.98Å
266A90.7Very high93.1Very high55 Ų5553.8 Ų53.846%0.45531%0.307SS..Hα-helixtrans-61.9-32.7177.900000112.1D264 L268 Q269 P270D264-A266 PolarHBondContact O-N 3.17Å; A266-L268 VanDerWaalsContact C-N 3.26Å; A266-L268 PolarHBondContact O-N 3.45Å; A266-Q269 PolarHBondContact O-N 3.33Å; A266-P270 VanDerWaalsContact O-CD 3.32Å; A266-P270 WeakPolarHBondContact O-CD 3.34Å
267K93.4Very high93.2Very high98 Ų9854.2 Ų54.243%0.42631%0.309SS..Hα-helixtrans-64.6-30.8178.4-62.6175176.3164.30112.5V216 L220 D264 R265 P270V216-K267 HydrophobicContact CG1-CB 4.05Å; V216-K267 HydrophobicContact CG1-CD 4.03Å; L220-K267 HydrophobicContact CD1-CB 4.22Å; D264-K267 WeakPolarHBondContact O-CB 3.29Å; D264-K267 PolarHBondContact O-N 2.84Å; D264-K267 WeakPolarHBondContact OD1-CE 3.25Å; D264-K267 IonicContact OD1-NZ 2.65Å; D264-K267 PolarHBondContact OD1-NZ 3.13Å; R265-K267 PolarHBondContact O-N 2.81Å; K267-P270 WeakPolarHBondContact O-CD 3.2Å
268L94.7Very high93.4Very high0 Ų053.8 Ų53.80%031%0.309CS..Hα-helixtrans-86.5-14.5-179.3-62.7173.7000113.5V216 I219 L220 V253 K257 I260 R265 A266 I271 A272V216-L268 HydrophobicContact CG1-CD1 4.48Å; V216-L268 HydrophobicContact CG1-CD2 4.02Å; V216-L268 HydrophobicContact CG1-CG 4.01Å; I219-L268 HydrophobicContact CG2-CD2 3.99Å; L220-L268 HydrophobicContact CD2-CD2 3.78Å; L220-L268 HydrophobicContact CG-CD2 3.9Å; V253-L268 HydrophobicContact CG1-CB 3.9Å; V253-L268 HydrophobicContact CG1-CD1 4.38Å; V253-L268 HydrophobicContact CG2-CB 4.43Å; K257-L268 HydrophobicContact CG-CD1 4.03Å; I260-L268 HydrophobicContact CD1-CD1 3.91Å; R265-L268 PolarHBondContact O-N 2.93Å; A266-L268 VanDerWaalsContact C-N 3.26Å; A266-L268 PolarHBondContact O-N 3.45Å; L268-I271 VanDerWaalsContact O-CG2 3.25Å; L268-I271 WeakPolarHBondContact O-CG2 3.43Å; L268-A272 WeakPolarHBondContact O-CB 3.4Å; L268-A272 PolarHBondContact O-N 3.37Å; L268-A272 VanDerWaalsContact O-N 3.16Å
269Q94.1Very high93.7Very high90 Ų9050.4 Ų50.442%0.42128%0.28SS..Hα-helixtrans-63.3-43.6-177.9-72.2-174.2-6.800113.9R265 A266 I271 A272 L273 I302R265-Q269 PolarHBondContact O-N 2.98Å; A266-Q269 PolarHBondContact O-N 3.33Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 3.34Å; Q269-A272 PolarHBondContact O-N 2.83Å; Q269-L273 WeakPolarHBondContact O-CB 3.37Å; Q269-L273 PolarHBondContact O-N 3.45Å; Q269-I302 HydrophobicContact CB-CG2 4.33Å
270P96.8Very high93.9Very high75 Ų7547.1 Ų47.149%0.48726%0.26SS..Hα-helixtrans-60.4-41.4-179.3-26.235.5000113.1A266 K267 N274A266-P270 VanDerWaalsContact O-CD 3.32Å; A266-P270 WeakPolarHBondContact O-CD 3.34Å; K267-P270 WeakPolarHBondContact O-CD 3.2Å; P270-N274 WeakPolarHBondContact O-CB 3.27Å; P270-N274 PolarHBondContact O-N 2.93Å; P270-N274 VanDerWaalsContact O-N 3.09Å; P270-N274 PolarHBondContact O-ND2 3.07Å
271I97.6Very high94.2Very high11 Ų1147.2 Ų47.26%0.05626%0.262CS..Hα-helixtrans-72.2-37.9179.8-169.6149.2000111.8L220 T223 E224 K227 V249 V253 L268 Q269 N274 C275L220-I271 HydrophobicContact CD2-CG2 4.06Å; T223-I271 WeakPolarHBondContact OG1-CD1 3.46Å; E224-I271 HydrophobicContact CB-CD1 4.39Å; K227-I271 HydrophobicContact CD-CD1 4.39Å; K227-I271 HydrophobicContact CD-CG1 4.34Å; V249-I271 HydrophobicContact CG1-CG1 4.08Å; V253-I271 HydrophobicContact CG2-CG2 4.06Å; L268-I271 VanDerWaalsContact O-CG2 3.25Å; L268-I271 WeakPolarHBondContact O-CG2 3.43Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 3.34Å; I271-N274 PolarHBondContact O-N 3.26Å; I271-C275 PolarHBondContact O-N 3.26Å; I271-C275 PolarHBondContact O-SG 3.37Å
272A97.4Very high94.8Very high3 Ų340.1 Ų40.13%0.02523%0.229CC..Hα-helixtrans-60.8-51.1173.700000111.3L250 V253 L268 Q269 N274 C275 V276 I302L250-A272 HydrophobicContact CD2-CB 4.02Å; V253-A272 HydrophobicContact CG1-CB 4.11Å; L268-A272 WeakPolarHBondContact O-CB 3.4Å; L268-A272 PolarHBondContact O-N 3.37Å; L268-A272 VanDerWaalsContact O-N 3.16Å; Q269-A272 PolarHBondContact O-N 2.83Å; A272-N274 VanDerWaalsContact C-N 3.31Å; A272-N274 PolarHBondContact O-N 3.19Å; A272-C275 PolarHBondContact O-N 3.28Å; A272-C275 VanDerWaalsContact O-N 3.11Å; A272-V276 WeakPolarHBondContact O-CG2 3.37Å; A272-V276 PolarHBondContact O-N 3.03Å; A272-I302 HydrophobicContact CB-CD1 4.34Å
273L98.1Very high95.6Very high26 Ų2637 Ų3714%0.13621%0.207CC..Hα-helixtrans-56.5-45.4178.4178.559.3000111.6Q269 C275 L277 A299 I302 D303Q269-L273 WeakPolarHBondContact O-CB 3.37Å; Q269-L273 PolarHBondContact O-N 3.45Å; L273-C275 PolarHBondContact O-N 3.47Å; L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 4.16Å; L273-L277 HydrophobicContact CG-CD1 4.02Å; L273-L277 VanDerWaalsContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CB 3.3Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 3.18Å; L273-A299 HydrophobicContact CD1-CB 3.81Å; L273-A299 WeakPolarHBondContact CD1-O 3.3Å; L273-I302 HydrophobicContact CB-CD1 4.47Å; L273-I302 HydrophobicContact CB-CG2 4.15Å; L273-I302 HydrophobicContact CD1-CB 4.35Å; L273-D303 HydrophobicContact CD1-CB 4.48Å; L273-D303 HydrophobicContact CD2-CB 3.91Å
274N98.3Very high96.3Very high75 Ų7534.1 Ų34.140%0.40118%0.179SC..Hα-helixtrans-60.2-44.2176.8-82.2-57.2000112.4P270 I271 A272 N278P270-N274 WeakPolarHBondContact O-CB 3.27Å; P270-N274 PolarHBondContact O-N 2.93Å; P270-N274 VanDerWaalsContact O-N 3.09Å; P270-N274 PolarHBondContact O-ND2 3.07Å; I271-N274 PolarHBondContact O-N 3.26Å; A272-N274 VanDerWaalsContact C-N 3.31Å; A272-N274 PolarHBondContact O-N 3.19Å; N274-N278 WeakPolarHBondContact O-CB 3.49Å; N274-N278 PolarHBondContact O-N 2.75Å; N274-N278 PolarHBondContact O-ND2 3.01Å
275C98.5Very high96.9Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-68.3-45-179.8-68.40000112Y246 V249 L250 I271 A272 L273 L277 N278 I279Y246-C275 HydrophobicContact CD1-CB 4.35Å; V249-C275 HydrophobicContact CG1-CB 4.31Å; V249-C275 WeakPolarHBondContact CG1-SG 3.44Å; L250-C275 HydrophobicContact CD2-CB 3.98Å; L250-C275 HydrophobicContact CG-CB 4.34Å; I271-C275 PolarHBondContact O-N 3.26Å; I271-C275 PolarHBondContact O-SG 3.37Å; A272-C275 PolarHBondContact O-N 3.28Å; A272-C275 VanDerWaalsContact O-N 3.11Å; L273-C275 PolarHBondContact O-N 3.47Å; C275-L277 VanDerWaalsContact C-N 3.33Å; C275-L277 PolarHBondContact O-N 3.33Å; C275-N278 PolarHBondContact O-N 3.23Å; C275-N278 VanDerWaalsContact O-N 3.17Å; C275-I279 VanDerWaalsContact O-CG1 3.32Å; C275-I279 WeakPolarHBondContact O-CG1 3.31Å; C275-I279 PolarHBondContact O-N 2.87Å
276V98.4Very high97.3Very high4 Ų436.9 Ų36.92%0.02419%0.193CC..Hα-helixtrans-58.6-45.6175.31750000110.8L250 A272 N278 I279 G280 S295 E298 A299L250-V276 HydrophobicContact CD1-CG2 3.64Å; L250-V276 HydrophobicContact CD2-CG2 3.8Å; L250-V276 HydrophobicContact CG-CG2 4.38Å; A272-V276 WeakPolarHBondContact O-CG2 3.37Å; A272-V276 PolarHBondContact O-N 3.03Å; V276-N278 PolarHBondContact O-N 3.18Å; V276-I279 PolarHBondContact O-N 2.81Å; V276-G280 PolarHBondContact O-N 3.32Å; V276-S295 WeakPolarHBondContact CG1-O 3.41Å; V276-E298 HydrophobicContact CG1-CB 3.75Å; V276-A299 HydrophobicContact CG1-CB 3.87Å
277L98.6Very high97.6Very high10 Ų1037.6 Ų37.65%0.05220%0.195CC..Hα-helixtrans-59-45.3175.2-79.2173.7000111.7L273 C275 G280 A281 A299 K308 A309 R312L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 4.16Å; L273-L277 HydrophobicContact CG-CD1 4.02Å; L273-L277 VanDerWaalsContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CB 3.3Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 3.18Å; C275-L277 VanDerWaalsContact C-N 3.33Å; C275-L277 PolarHBondContact O-N 3.33Å; L277-G280 PolarHBondContact O-N 3.42Å; L277-A281 PolarHBondContact O-N 2.85Å; L277-A299 HydrophobicContact CD2-CB 3.98Å; L277-A299 HydrophobicContact CG-CB 4.19Å; L277-K308 HydrophobicContact CD2-CB 4.24Å; L277-A309 HydrophobicContact CD2-CB 3.85Å; L277-R312 PolarHBondContact O-NH1 2.78Å
278N98.6Very high97.8Very high34 Ų3436.7 Ų36.718%0.18220%0.195CC..Hα-helixtrans-65.7-38.2179-72.5-12.7000112.2Y246 N274 C275 V276 A281 C282Y246-N278 HydrophobicContact CD1-CB 4.46Å; Y246-N278 HydrophobicContact CD2-CB 3.79Å; Y246-N278 HydrophobicContact CE1-CB 4.17Å; Y246-N278 HydrophobicContact CE2-CB 3.46Å; Y246-N278 VanDerWaalsContact CE2-CB 3.46Å; Y246-N278 HydrophobicContact CG-CB 4.3Å; Y246-N278 PolarHBondContact OH-ND2 3.07Å; N274-N278 WeakPolarHBondContact O-CB 3.49Å; N274-N278 PolarHBondContact O-N 2.75Å; N274-N278 PolarHBondContact O-ND2 3.01Å; C275-N278 PolarHBondContact O-N 3.23Å; C275-N278 VanDerWaalsContact O-N 3.17Å; V276-N278 PolarHBondContact O-N 3.18Å; N278-A281 WeakPolarHBondContact O-CB 3.45Å; N278-A281 PolarHBondContact O-N 3.38Å; N278-C282 PolarHBondContact O-N 3.2Å; N278-C282 PolarHBondContact O-SG 2.86Å; N278-C282 VanDerWaalsContact O-SG 3.39Å
279I98.8Very high98Very high9 Ų940.7 Ų40.75%0.04621%0.21CC..Hα-helixtrans-58.9-48.2171.4-69.2166.7000110.2I243 Y246 L250 C275 V276 A281 C282 K283 S295I243-I279 HydrophobicContact CG1-CG2 4.38Å; I243-I279 HydrophobicContact CG2-CG2 4.39Å; Y246-I279 HydrophobicContact CD2-CG1 4.13Å; Y246-I279 HydrophobicContact CG-CG1 4.28Å; L250-I279 HydrophobicContact CD1-CD1 3.73Å; C275-I279 VanDerWaalsContact O-CG1 3.32Å; C275-I279 WeakPolarHBondContact O-CG1 3.31Å; C275-I279 PolarHBondContact O-N 2.87Å; V276-I279 PolarHBondContact O-N 2.81Å; I279-A281 VanDerWaalsContact C-N 3.26Å; I279-A281 PolarHBondContact O-N 3.02Å; I279-C282 WeakPolarHBondContact O-CB 3.36Å; I279-C282 PolarHBondContact O-N 3.45Å; I279-C282 VanDerWaalsContact O-N 3.17Å; I279-K283 HydrophobicContact CG2-CD 4.02Å; I279-K283 HydrophobicContact CG2-CG 4.33Å; I279-K283 WeakPolarHBondContact O-CG 3.43Å; I279-K283 PolarHBondContact O-N 3.02Å; I279-S295 WeakPolarHBondContact CG2-OG 3.34Å
280G98.5Very high98.2Very high0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-56-41.3175.500000112.4V276 L277 K283 L284V276-G280 PolarHBondContact O-N 3.32Å; L277-G280 PolarHBondContact O-N 3.42Å; G280-K283 PolarHBondContact O-N 2.87Å; G280-L284 WeakPolarHBondContact O-CG 3.37Å; G280-L284 PolarHBondContact O-N 3.4Å
281A98.6Very high98.3Very high13 Ų1337.2 Ų37.211%0.10719%0.189CC..Hα-helixtrans-64.4-44.8175.500000112.9F234 L277 N278 I279 L284 K285F234-A281 HydrophobicContact CE2-CB 4.15Å; F234-A281 HydrophobicContact CZ-CB 4.41Å; L277-A281 PolarHBondContact O-N 2.85Å; N278-A281 WeakPolarHBondContact O-CB 3.45Å; N278-A281 PolarHBondContact O-N 3.38Å; I279-A281 VanDerWaalsContact C-N 3.26Å; I279-A281 PolarHBondContact O-N 3.02Å; A281-L284 PolarHBondContact O-N 3.14Å; A281-K285 WeakPolarHBondContact O-CG 3.39Å; A281-K285 PolarHBondContact O-N 3.03Å; A281-K285 VanDerWaalsContact O-N 3.11Å
282C98.6Very high98.3Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-59.3-46.2174.7-69.50000111.7F234 W239 I243 N278 I279 L284 K285 M286F234-C282 WeakPolarHBondContact CD2-SG 3.43Å; W239-C282 HydrophobicContact CB-CB 4.13Å; I243-C282 HydrophobicContact CD1-CB 3.55Å; I243-C282 HydrophobicContact CG1-CB 3.45Å; I243-C282 VanDerWaalsContact CG1-CB 3.45Å; N278-C282 PolarHBondContact O-N 3.2Å; N278-C282 PolarHBondContact O-SG 2.86Å; N278-C282 VanDerWaalsContact O-SG 3.39Å; I279-C282 WeakPolarHBondContact O-CB 3.36Å; I279-C282 PolarHBondContact O-N 3.45Å; I279-C282 VanDerWaalsContact O-N 3.17Å; C282-L284 VanDerWaalsContact C-N 3.32Å; C282-L284 PolarHBondContact O-N 3.11Å; C282-K285 WeakPolarHBondContact O-CA 3.36Å; C282-K285 WeakPolarHBondContact O-CB 3.36Å; C282-K285 PolarHBondContact O-N 2.92Å; C282-M286 WeakPolarHBondContact O-CG 3.49Å; C282-M286 PolarHBondContact O-N 2.67Å
283K98.6Very high98.4Very high38 Ų3836.5 Ų36.517%0.16519%0.185CC..Hα-helixtrans-62.9-37.6-179.7-70.5-179.4179.3170.50112.2I243 I279 G280 M286 S287 N288 G291 A292 S295I243-K283 HydrophobicContact CD1-CG 3.94Å; I279-K283 HydrophobicContact CG2-CD 4.02Å; I279-K283 HydrophobicContact CG2-CG 4.33Å; I279-K283 WeakPolarHBondContact O-CG 3.43Å; I279-K283 PolarHBondContact O-N 3.02Å; G280-K283 PolarHBondContact O-N 2.87Å; K283-M286 CarbonylContact O-C 3.51Å; K283-M286 PolarHBondContact O-N 2.97Å; K283-S287 PolarHBondContact O-N 3.31Å; K283-N288 HydrophobicContact CB-CB 4.26Å; K283-N288 PolarHBondContact O-N 2.98Å; K283-G291 WeakPolarHBondContact CD-O 3.48Å; K283-G291 PolarHBondContact NZ-O 3.13Å; K283-A292 HydrophobicContact CB-CB 3.86Å; K283-S295 PolarHBondContact NZ-OG 2.85Å
284L98.3Very high98.4Very high23 Ų2338.4 Ų38.412%0.1220%0.195CC..Hα-helixtrans-61.7-41.7170.3-71.5174.3000112.3G280 A281 C282 M286 S287 W289 A292 R312 Q315G280-L284 WeakPolarHBondContact O-CG 3.37Å; G280-L284 PolarHBondContact O-N 3.4Å; A281-L284 PolarHBondContact O-N 3.14Å; C282-L284 VanDerWaalsContact C-N 3.32Å; C282-L284 PolarHBondContact O-N 3.11Å; L284-M286 PolarHBondContact O-N 3.15Å; L284-S287 PolarHBondContact O-N 3.11Å; L284-S287 VanDerWaalsContact O-N 3.08Å; L284-W289 HydrophobicContact CD2-CE3 4.01Å; L284-W289 HydrophobicContact CD2-CZ3 4.1Å; L284-A292 HydrophobicContact CD2-CB 3.65Å; L284-A292 HydrophobicContact CG-CB 3.73Å; L284-R312 HydrophobicContact CD1-CB 3.78Å; L284-R312 HydrophobicContact CD1-CG 3.87Å; L284-Q315 HydrophobicContact CD1-CB 4.2Å; L284-Q315 HydrophobicContact CD2-CB 4.06Å
285K98.2Very high98.4Very high137 Ų13735 Ų3560%0.59618%0.177SC*.Hα-helixtrans-63.1-30176.4-68.2-69.2-179.1179.20112.7W239 A281 C282 S287W239-K285 HydrophobicContact CD2-CB 3.89Å; W239-K285 HydrophobicContact CD2-CG 4.29Å; W239-K285 HydrophobicContact CE3-CB 4.44Å; W239-K285 HydrophobicContact CE3-CG 4.41Å; W239-K285 HydrophobicContact CG-CB 4.16Å; W239-K285 HydrophobicContact CH2-CD 4.48Å; W239-K285 HydrophobicContact CH2-CG 4.18Å; W239-K285 HydrophobicContact CZ2-CB 4.16Å; W239-K285 HydrophobicContact CZ2-CD 4.22Å; W239-K285 HydrophobicContact CZ2-CG 4.04Å; W239-K285 HydrophobicContact CZ3-CG 4.36Å; A281-K285 WeakPolarHBondContact O-CG 3.39Å; A281-K285 PolarHBondContact O-N 3.03Å; A281-K285 VanDerWaalsContact O-N 3.11Å; C282-K285 WeakPolarHBondContact O-CA 3.36Å; C282-K285 WeakPolarHBondContact O-CB 3.36Å; C282-K285 PolarHBondContact O-N 2.92Å; K285-S287 VanDerWaalsContact C-N 3.34Å
286M97.9Very high98.4Very high73 Ų7335 Ų3536%0.3618%0.178SC..THydrogen-bonded Turntrans-883.5175.8-62.7175.570.500113.7W239 E240 I243 C282 K283 L284 N288W239-M286 HydrophobicContact CB-CG 3.73Å; W239-M286 HydrophobicContact CB-SD 3.69Å; W239-M286 HydrophobicContact CG-CG 4.09Å; E240-M286 HydrophobicContact CG-CE 3.47Å; E240-M286 VanDerWaalsContact CG-CE 3.47Å; E240-M286 HydrophobicContact CG-SD 4.07Å; E240-M286 WeakPolarHBondContact OE1-CE 3.35Å; I243-M286 HydrophobicContact CD1-SD 3.98Å; C282-M286 WeakPolarHBondContact O-CG 3.49Å; C282-M286 PolarHBondContact O-N 2.67Å; K283-M286 CarbonylContact O-C 3.51Å; K283-M286 PolarHBondContact O-N 2.97Å; L284-M286 PolarHBondContact O-N 3.15Å; M286-N288 PolarHBondContact O-N 2.94Å; M286-N288 VanDerWaalsContact O-N 3.15Å
287S98.1Very high98.4Very high70 Ų7038.1 Ų38.149%0.4919%0.194SC..THydrogen-bonded Turntrans57.621.5-173.2-54.50000114.6K283 L284 K285 W289K283-S287 PolarHBondContact O-N 3.31Å; L284-S287 PolarHBondContact O-N 3.11Å; L284-S287 VanDerWaalsContact O-N 3.08Å; K285-S287 VanDerWaalsContact C-N 3.34Å; S287-W289 VanDerWaalsContact C-N 3.29Å; S287-W289 PolarHBondContact O-N 2.79Å; S287-W289 PolarHBondContact O-NE1 3.07Å; S287-W289 WeakPolarHBondContact OG-CZ2 3.19Å
288N97.9Very high98.3Very high80 Ų8041.4 Ų41.443%0.42821%0.209SC..  trans-82.278.7171-177.7-3.4000109K283 M286 G291 A292K283-N288 HydrophobicContact CB-CB 4.26Å; K283-N288 PolarHBondContact O-N 2.98Å; M286-N288 PolarHBondContact O-N 2.94Å; M286-N288 VanDerWaalsContact O-N 3.15Å; N288-G291 PolarHBondContact OD1-N 3.48Å; N288-A292 WeakPolarHBondContact O-CB 3.29Å; N288-A292 PolarHBondContact O-N 3.16Å
289W98.3Very high98.3Very high83 Ų8339.8 Ų39.831%0.31420%0.2SC..Hα-helixtrans-62.6-48.9-171.4-48.5125.6000112.9L284 S287 A292 I293 L320L284-W289 HydrophobicContact CD2-CE3 4.01Å; L284-W289 HydrophobicContact CD2-CZ3 4.1Å; S287-W289 VanDerWaalsContact C-N 3.29Å; S287-W289 PolarHBondContact O-N 2.79Å; S287-W289 PolarHBondContact O-NE1 3.07Å; S287-W289 WeakPolarHBondContact OG-CZ2 3.19Å; W289-A292 PolarHBondContact O-N 2.87Å; W289-I293 WeakPolarHBondContact O-CD1 3.43Å; W289-I293 WeakPolarHBondContact O-CG1 3.47Å; W289-I293 PolarHBondContact O-N 2.73Å; W289-L320 HydrophobicContact CB-CD2 3.8Å; W289-L320 HydrophobicContact CB-CG 3.82Å; W289-L320 HydrophobicContact CG-CD2 4.4Å
290Q98.3Very high98.3Very high85 Ų8540.1 Ų40.140%0.39720%0.202SC..Hα-helixtrans-62.3-48.6179.6-173.859.852.100110.8A292 I293 D294Q290-A292 PolarHBondContact O-N 3.45Å; Q290-I293 WeakPolarHBondContact O-CB 3.07Å; Q290-I293 PolarHBondContact O-N 3.26Å; Q290-D294 PolarHBondContact NE2-OD1 2.93Å; Q290-D294 PolarHBondContact O-N 3.36Å
291G97.9Very high98.2Very high7 Ų747.6 Ų47.67%0.07224%0.237CC..Hα-helixtrans-62.4-32.5179.100000112.9K283 N288 S295K283-G291 WeakPolarHBondContact CD-O 3.48Å; K283-G291 PolarHBondContact NZ-O 3.13Å; N288-G291 PolarHBondContact OD1-N 3.48Å; G291-S295 PolarHBondContact O-N 3.39Å; G291-S295 VanDerWaalsContact O-N 3.14Å; G291-S295 PolarHBondContact O-OG 3.27Å
292A98.4Very high98Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-67.8-39.9174.600000111.8K283 L284 N288 W289 Q290 C296K283-A292 HydrophobicContact CB-CB 3.86Å; L284-A292 HydrophobicContact CD2-CB 3.65Å; L284-A292 HydrophobicContact CG-CB 3.73Å; N288-A292 WeakPolarHBondContact O-CB 3.29Å; N288-A292 PolarHBondContact O-N 3.16Å; W289-A292 PolarHBondContact O-N 2.87Å; Q290-A292 PolarHBondContact O-N 3.45Å; A292-C296 PolarHBondContact O-N 3.3Å; A292-C296 PolarHBondContact O-SG 3.13Å
293I98.6Very high97.9Very high0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-60.2-48.5174-70.9154.9000110.4W289 Q290 S295 C296 L297 R313 W317 L320W289-I293 WeakPolarHBondContact O-CD1 3.43Å; W289-I293 WeakPolarHBondContact O-CG1 3.47Å; W289-I293 PolarHBondContact O-N 2.73Å; Q290-I293 WeakPolarHBondContact O-CB 3.07Å; Q290-I293 PolarHBondContact O-N 3.26Å; I293-S295 PolarHBondContact O-N 2.9Å; I293-C296 CarbonylContact O-C 3.54Å; I293-C296 PolarHBondContact O-N 2.8Å; I293-L297 HydrophobicContact CG2-CD1 4.03Å; I293-L297 PolarHBondContact O-N 3.06Å; I293-R313 HydrophobicContact CB-CG 4.36Å; I293-R313 HydrophobicContact CG1-CG 4.23Å; I293-R313 HydrophobicContact CG2-CG 4.06Å; I293-W317 HydrophobicContact CD1-CD2 3.69Å; I293-W317 HydrophobicContact CD1-CE3 3.36Å; I293-W317 HydrophobicContact CD1-CG 4.39Å; I293-W317 HydrophobicContact CD1-CH2 4.07Å; I293-W317 HydrophobicContact CD1-CZ2 4.37Å; I293-W317 HydrophobicContact CD1-CZ3 3.56Å; I293-W317 HydrophobicContact CG1-CD2 4.09Å; I293-W317 HydrophobicContact CG1-CE3 4.23Å; I293-W317 HydrophobicContact CG1-CZ2 4.44Å; I293-W317 HydrophobicContact CG1-CZ3 4.46Å; I293-W317 HydrophobicContact CG2-CH2 3.65Å; I293-W317 HydrophobicContact CG2-CZ2 3.47Å; I293-W317 VanDerWaalsContact CG2-CZ2 3.47Å; I293-W317 HydrophobicContact CG2-CZ3 4.3Å; I293-L320 HydrophobicContact CD1-CD1 3.5Å; I293-L320 HydrophobicContact CD1-CG 4.24Å
294D98.3Very high97.9Very high65 Ų6553.5 Ų53.535%0.34827%0.272SS..Hα-helixtrans-59.2-46.7-179.1-56.8-22.9000111Q290 C296 L297 E298Q290-D294 PolarHBondContact NE2-OD1 2.93Å; Q290-D294 PolarHBondContact O-N 3.36Å; D294-C296 VanDerWaalsContact C-N 3.31Å; D294-C296 PolarHBondContact O-N 3.15Å; D294-L297 WeakPolarHBondContact O-CB 3.4Å; D294-L297 PolarHBondContact O-N 2.92Å; D294-L297 VanDerWaalsContact O-N 3.13Å; D294-E298 PolarHBondContact O-N 2.81Å
295S98.4Very high97.8Very high3 Ų355.5 Ų55.52%0.02129%0.288CS..Hα-helixtrans-65.6-32.6175.2-66.60000113V276 I279 K283 G291 I293 L297 E298 A299V276-S295 WeakPolarHBondContact CG1-O 3.41Å; I279-S295 WeakPolarHBondContact CG2-OG 3.34Å; K283-S295 PolarHBondContact NZ-OG 2.85Å; G291-S295 PolarHBondContact O-N 3.39Å; G291-S295 VanDerWaalsContact O-N 3.14Å; G291-S295 PolarHBondContact O-OG 3.27Å; I293-S295 PolarHBondContact O-N 2.9Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-E298 PolarHBondContact O-N 3.26Å; S295-A299 PolarHBondContact O-N 2.86Å
296C98.5Very high97.8Very high1 Ų150 Ų501%0.00727%0.265CS..Hα-helixtrans-72.5-29.1174.6-64.40000112.3A292 I293 D294 A299 L300 A309 R312 R313A292-C296 PolarHBondContact O-N 3.3Å; A292-C296 PolarHBondContact O-SG 3.13Å; I293-C296 CarbonylContact O-C 3.54Å; I293-C296 PolarHBondContact O-N 2.8Å; D294-C296 VanDerWaalsContact C-N 3.31Å; D294-C296 PolarHBondContact O-N 3.15Å; C296-A299 PolarHBondContact O-N 3.24Å; C296-L300 WeakPolarHBondContact O-CD1 3.34Å; C296-L300 VanDerWaalsContact O-CG 3.27Å; C296-L300 WeakPolarHBondContact O-CG 3.38Å; C296-L300 PolarHBondContact O-N 3.03Å; C296-L300 VanDerWaalsContact O-N 3.09Å; C296-A309 HydrophobicContact CB-CB 4.45Å; C296-R312 VanDerWaalsContact SG-CB 3.53Å; C296-R313 HydrophobicContact CB-CB 3.6Å; C296-R313 HydrophobicContact CB-CG 3.98Å
297L98.3Very high97.8Very high70 Ų7048.2 Ų48.237%0.36626%0.259SS..Hα-helixtrans-63.4-50.3170.3-79.9160000110.6I293 D294 S295 A299 L300 E301I293-L297 HydrophobicContact CG2-CD1 4.03Å; I293-L297 PolarHBondContact O-N 3.06Å; D294-L297 WeakPolarHBondContact O-CB 3.4Å; D294-L297 PolarHBondContact O-N 2.92Å; D294-L297 VanDerWaalsContact O-N 3.13Å; S295-L297 VanDerWaalsContact C-N 3.34Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 3.16Å; L297-L300 CarbonylContact O-C 3.58Å; L297-L300 WeakPolarHBondContact O-CA 3.46Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-E301 PolarHBondContact O-N 3.08Å
298E97.7Very high97.8Very high79 Ų7951 Ų5137%0.36926%0.262SS..Hα-helixtrans-54.8-41.8174.8-69170.4-134.500111.8V276 D294 S295 L300 E301 I302V276-E298 HydrophobicContact CG1-CB 3.75Å; D294-E298 PolarHBondContact O-N 2.81Å; S295-E298 PolarHBondContact O-N 3.26Å; E298-L300 VanDerWaalsContact C-N 3.31Å; E298-L300 PolarHBondContact O-N 3.18Å; E298-E301 PolarHBondContact O-N 3.17Å; E298-I302 PolarHBondContact O-N 3.18Å
299A98.2Very high97.8Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-63.9-36.2176.200000112.7L273 V276 L277 S295 C296 L297 I302 D303 A309L273-A299 HydrophobicContact CD1-CB 3.81Å; L273-A299 WeakPolarHBondContact CD1-O 3.3Å; V276-A299 HydrophobicContact CG1-CB 3.87Å; L277-A299 HydrophobicContact CD2-CB 3.98Å; L277-A299 HydrophobicContact CG-CB 4.19Å; S295-A299 PolarHBondContact O-N 2.86Å; C296-A299 PolarHBondContact O-N 3.24Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 3.16Å; A299-I302 PolarHBondContact O-N 2.8Å; A299-D303 PolarHBondContact O-N 3.02Å; A299-A309 HydrophobicContact CB-CB 3.81Å
300L97.9Very high97.8Very high16 Ų1643.3 Ų43.38%0.08423%0.227CC..Hα-helixtrans-78.9-21179-71.2164.7000113.2C296 L297 E298 I302 D303 P304 N306 A309 L310C296-L300 WeakPolarHBondContact O-CD1 3.34Å; C296-L300 VanDerWaalsContact O-CG 3.27Å; C296-L300 WeakPolarHBondContact O-CG 3.38Å; C296-L300 PolarHBondContact O-N 3.03Å; C296-L300 VanDerWaalsContact O-N 3.09Å; L297-L300 CarbonylContact O-C 3.58Å; L297-L300 WeakPolarHBondContact O-CA 3.46Å; L297-L300 PolarHBondContact O-N 3.36Å; E298-L300 VanDerWaalsContact C-N 3.31Å; E298-L300 PolarHBondContact O-N 3.18Å; L300-I302 VanDerWaalsContact C-N 3.31Å; L300-D303 WeakPolarHBondContact CA-O 3.3Å; L300-D303 CarbonylContact O-C 3.6Å; L300-P304 WeakPolarHBondContact O-CA 3.4Å; L300-P304 WeakPolarHBondContact O-CD 3.47Å; L300-P304 WeakPolarHBondContact O-CG 3.44Å; L300-P304 VanDerWaalsContact O-N 3.12Å; L300-N306 HydrophobicContact CD2-CB 4.25Å; L300-A309 HydrophobicContact CD1-CB 4.27Å; L300-A309 HydrophobicContact CD2-CB 3.94Å; L300-A309 HydrophobicContact CG-CB 3.73Å; L300-L310 HydrophobicContact CD1-CD2 3.78Å; L300-L310 HydrophobicContact CD1-CG 4.3Å; L300-L310 HydrophobicContact CD2-CD2 4.03Å; L300-L310 HydrophobicContact CD2-CG 3.89Å
301E96.6Very high97.8Very high157 Ų15741.6 Ų41.673%0.73422%0.217SC*.Hα-helixtrans-68.6-33.4167.3-70.6176-179.200111.3L297 E298L297-E301 PolarHBondContact O-N 3.08Å; E298-E301 PolarHBondContact O-N 3.17Å
302I94.8Very high97.9Very high52 Ų5243.7 Ų43.727%0.26722%0.223SC..Hα-helixtrans-78.7-47.8175-58.4169000111.2Q269 A272 L273 E298 A299 L300Q269-I302 HydrophobicContact CB-CG2 4.33Å; A272-I302 HydrophobicContact CB-CD1 4.34Å; L273-I302 HydrophobicContact CB-CD1 4.47Å; L273-I302 HydrophobicContact CB-CG2 4.15Å; L273-I302 HydrophobicContact CD1-CB 4.35Å; E298-I302 PolarHBondContact O-N 3.18Å; A299-I302 PolarHBondContact O-N 2.8Å; L300-I302 VanDerWaalsContact C-N 3.31Å
303D97.2Very high97.9Very high43 Ų4345.4 Ų45.423%0.2323%0.229CC..  trans-133.394.7178.617113000110.2L273 A299 L300 S305 N306L273-D303 HydrophobicContact CD1-CB 4.48Å; L273-D303 HydrophobicContact CD2-CB 3.91Å; A299-D303 PolarHBondContact O-N 3.02Å; L300-D303 WeakPolarHBondContact CA-O 3.3Å; L300-D303 CarbonylContact O-C 3.6Å; D303-S305 PolarHBondContact O-N 3.27Å; D303-S305 WeakPolarHBondContact OD1-CA 3.42Å; D303-S305 PolarHBondContact OD1-N 3.07Å; D303-S305 PolarHBondContact OD1-OG 2.8Å; D303-N306 HydrophobicContact CB-CB 4.04Å; D303-N306 VanDerWaalsContact O-CB 3.26Å; D303-N306 WeakPolarHBondContact O-CB 3.49Å; D303-N306 PolarHBondContact O-N 3.17Å; D303-N306 PolarHBondContact OD1-N 2.68Å; D303-N306 WeakPolarHBondContact OD2-CA 3.3Å; D303-N306 VanDerWaalsContact OD2-CB 3.28Å; D303-N306 WeakPolarHBondContact OD2-CB 3.41Å; D303-N306 PolarHBondContact OD2-ND2 3.48Å
304P97.3Very high97.8Very high80 Ų8045.4 Ų45.452%0.51923%0.229SC..THydrogen-bonded Turntrans-62.2-13.7-178.6-25.134.5000115.2L300 K332L300-P304 WeakPolarHBondContact O-CA 3.4Å; L300-P304 WeakPolarHBondContact O-CD 3.47Å; L300-P304 WeakPolarHBondContact O-CG 3.44Å; L300-P304 VanDerWaalsContact O-N 3.12Å; P304-K332 PolarHBondContact O-NZ 3.21Å
305S97.2Very high97.8Very high65 Ų6545.3 Ų45.346%0.45523%0.227SC..THydrogen-bonded Turntrans-100.85.1179.668.30000113.2D303 T307D303-S305 PolarHBondContact O-N 3.27Å; D303-S305 WeakPolarHBondContact OD1-CA 3.42Å; D303-S305 PolarHBondContact OD1-N 3.07Å; D303-S305 PolarHBondContact OD1-OG 2.8Å; S305-T307 PolarHBondContact O-N 2.79Å
306N98.3Very high97.8Very high21 Ų2145.1 Ų45.111%0.11223%0.226CC..  trans-68.8103.1-174.3-158.6-87.1000112.6L300 D303 K308 A309 L310L300-N306 HydrophobicContact CD2-CB 4.25Å; D303-N306 HydrophobicContact CB-CB 4.04Å; D303-N306 VanDerWaalsContact O-CB 3.26Å; D303-N306 WeakPolarHBondContact O-CB 3.49Å; D303-N306 PolarHBondContact O-N 3.17Å; D303-N306 PolarHBondContact OD1-N 2.68Å; D303-N306 WeakPolarHBondContact OD2-CA 3.3Å; D303-N306 VanDerWaalsContact OD2-CB 3.28Å; D303-N306 WeakPolarHBondContact OD2-CB 3.41Å; D303-N306 PolarHBondContact OD2-ND2 3.48Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.34Å; N306-K308 WeakPolarHBondContact OD1-CB 2.99Å; N306-K308 PolarHBondContact OD1-N 3.46Å; N306-A309 HydrophobicContact CB-CB 3.97Å; N306-A309 PolarHBondContact O-N 3.25Å; N306-A309 PolarHBondContact OD1-N 3.19Å; N306-L310 PolarHBondContact O-N 2.78Å; N306-L310 VanDerWaalsContact O-N 3.09Å
307T97.8Very high97.8Very high36 Ų3647 Ų4722%0.22123%0.233CC..Hα-helixtrans-64.4-32.4-178.356.50000112.9S305 L310 Y311 I336 A337S305-T307 PolarHBondContact O-N 2.79Å; T307-L310 PolarHBondContact O-N 3Å; T307-Y311 VanDerWaalsContact O-CB 3.23Å; T307-Y311 WeakPolarHBondContact O-CB 3.29Å; T307-Y311 PolarHBondContact O-N 3.36Å; T307-I336 HydrophobicContact CG2-CB 3.79Å; T307-I336 HydrophobicContact CG2-CG2 3.54Å; T307-A337 HydrophobicContact CG2-CB 3.92Å
308K97.8Very high97.8Very high129 Ų12944.3 Ų44.356%0.56122%0.218SC*.Hα-helixtrans-65.3-41.9175.5-67.2178.5-177.2170.60111.6L277 N306 R312L277-K308 HydrophobicContact CD2-CB 4.24Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.34Å; N306-K308 WeakPolarHBondContact OD1-CB 2.99Å; N306-K308 PolarHBondContact OD1-N 3.46Å; K308-R312 WeakPolarHBondContact O-CB 3.23Å; K308-R312 VanDerWaalsContact O-CG 3.24Å; K308-R312 WeakPolarHBondContact O-CG 3.41Å; K308-R312 PolarHBondContact O-N 3.21Å
309A98.3Very high97.8Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-65.4-47.9176.400000111.3L277 C296 A299 L300 N306 Y311 R312 R313L277-A309 HydrophobicContact CD2-CB 3.85Å; C296-A309 HydrophobicContact CB-CB 4.45Å; A299-A309 HydrophobicContact CB-CB 3.81Å; L300-A309 HydrophobicContact CD1-CB 4.27Å; L300-A309 HydrophobicContact CD2-CB 3.94Å; L300-A309 HydrophobicContact CG-CB 3.73Å; N306-A309 HydrophobicContact CB-CB 3.97Å; N306-A309 PolarHBondContact O-N 3.25Å; N306-A309 PolarHBondContact OD1-N 3.19Å; A309-Y311 PolarHBondContact O-N 3.16Å; A309-R312 PolarHBondContact O-N 2.99Å; A309-R313 VanDerWaalsContact O-CB 3.27Å; A309-R313 WeakPolarHBondContact O-CB 3.4Å; A309-R313 PolarHBondContact O-N 3.17Å
310L98.6Very high97.7Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-57.8-47.3176.5-69.7168.7000111.8L300 N306 T307 R313 A314 D329 K332 A333 I336L300-L310 HydrophobicContact CD1-CD2 3.78Å; L300-L310 HydrophobicContact CD1-CG 4.3Å; L300-L310 HydrophobicContact CD2-CD2 4.03Å; L300-L310 HydrophobicContact CD2-CG 3.89Å; N306-L310 PolarHBondContact O-N 2.78Å; N306-L310 VanDerWaalsContact O-N 3.09Å; T307-L310 PolarHBondContact O-N 3Å; L310-R313 PolarHBondContact O-N 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.64Å; L310-D329 HydrophobicContact CD2-CB 4.45Å; L310-K332 HydrophobicContact CD1-CB 4.22Å; L310-K332 HydrophobicContact CD1-CD 4.09Å; L310-K332 HydrophobicContact CD1-CG 3.92Å; L310-K332 HydrophobicContact CD2-CD 4.08Å; L310-A333 HydrophobicContact CB-CB 3.84Å; L310-A333 HydrophobicContact CD1-CB 4.02Å; L310-I336 HydrophobicContact CD1-CD1 3.87Å
311Y98.4Very high97.6Very high49 Ų4951.3 Ų51.319%0.19226%0.258CS..Hα-helixtrans-61-47.1179.1-178.2-94.2000112T307 A309 A314 Q315 L330 A342 I343 E346T307-Y311 VanDerWaalsContact O-CB 3.23Å; T307-Y311 WeakPolarHBondContact O-CB 3.29Å; T307-Y311 PolarHBondContact O-N 3.36Å; A309-Y311 PolarHBondContact O-N 3.16Å; Y311-A314 WeakPolarHBondContact O-CB 3.33Å; Y311-A314 PolarHBondContact O-N 3.5Å; Y311-Q315 HydrophobicContact CE1-CG 4.25Å; Y311-Q315 VanDerWaalsContact CE1-NE2 3.28Å; Y311-Q315 WeakPolarHBondContact O-CG 3.38Å; Y311-Q315 PolarHBondContact O-N 3.41Å; Y311-Q315 VanDerWaalsContact O-N 3.11Å; Y311-L330 HydrophobicContact CD2-CD2 3.74Å; Y311-L330 HydrophobicContact CE2-CD2 4.26Å; Y311-A342 HydrophobicContact CE2-CB 4.39Å; Y311-I343 HydrophobicContact CD2-CG1 3.85Å; Y311-I343 HydrophobicContact CE2-CG1 4.5Å; Y311-E346 HydrophobicContact CE2-CB 3.67Å; Y311-E346 HydrophobicContact CE2-CG 3.99Å
312R98.4Very high97.6Very high52 Ų5248.7 Ų48.720%0.19625%0.245CC..Hα-helixtrans-67.1-38178.3-73.8173.2-176.2172.91.6112.3L277 L284 C296 K308 A309 A314 Q315 G316L277-R312 PolarHBondContact O-NH1 2.78Å; L284-R312 HydrophobicContact CD1-CB 3.78Å; L284-R312 HydrophobicContact CD1-CG 3.87Å; C296-R312 VanDerWaalsContact SG-CB 3.53Å; K308-R312 WeakPolarHBondContact O-CB 3.23Å; K308-R312 VanDerWaalsContact O-CG 3.24Å; K308-R312 WeakPolarHBondContact O-CG 3.41Å; K308-R312 PolarHBondContact O-N 3.21Å; A309-R312 PolarHBondContact O-N 2.99Å; R312-A314 VanDerWaalsContact C-N 3.34Å; R312-A314 PolarHBondContact O-N 3.39Å; R312-Q315 WeakPolarHBondContact O-CB 3.41Å; R312-Q315 PolarHBondContact O-N 3.45Å; R312-Q315 VanDerWaalsContact O-N 3.14Å; R312-G316 PolarHBondContact O-N 2.82Å
313R98.5Very high97.7Very high36 Ų3648 Ų4814%0.13624%0.239CC..Hα-helixtrans-62.3-42.8175.2-161.5168.467-179.81.6111.1I293 C296 A309 L310 Q315 G316 W317 D329I293-R313 HydrophobicContact CB-CG 4.36Å; I293-R313 HydrophobicContact CG1-CG 4.23Å; I293-R313 HydrophobicContact CG2-CG 4.06Å; C296-R313 HydrophobicContact CB-CB 3.6Å; C296-R313 HydrophobicContact CB-CG 3.98Å; A309-R313 VanDerWaalsContact O-CB 3.27Å; A309-R313 WeakPolarHBondContact O-CB 3.4Å; A309-R313 PolarHBondContact O-N 3.17Å; L310-R313 PolarHBondContact O-N 3.23Å; R313-Q315 VanDerWaalsContact C-N 3.3Å; R313-Q315 PolarHBondContact O-N 3.44Å; R313-G316 WeakPolarHBondContact O-CA 3.33Å; R313-G316 PolarHBondContact O-N 3.49Å; R313-W317 VanDerWaalsContact O-CD1 3.29Å; R313-W317 PolarHBondContact O-N 3.24Å; R313-D329 WeakPolarHBondContact CG-OD2 3.47Å; R313-D329 IonicContact CZ-OD1 3.59Å; R313-D329 IonicContact CZ-OD2 3.58Å; R313-D329 IonicContact NE-OD1 2.78Å; R313-D329 PolarHBondContact NE-OD1 3.37Å; R313-D329 IonicContact NE-OD2 3.92Å; R313-D329 PolarHBondContact NE-OD2 3.19Å; R313-D329 IonicContact NH2-OD1 3.89Å; R313-D329 PolarHBondContact NH2-OD1 2.8Å; R313-D329 IonicContact NH2-OD2 2.79Å
314A98.4Very high97.7Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-61.1-35.717300000113.2L310 Y311 R312 W317 Q318 A326 D329 L330L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 2.64Å; Y311-A314 WeakPolarHBondContact O-CB 3.33Å; Y311-A314 PolarHBondContact O-N 3.5Å; R312-A314 VanDerWaalsContact C-N 3.34Å; R312-A314 PolarHBondContact O-N 3.39Å; A314-W317 PolarHBondContact O-N 3.12Å; A314-Q318 VanDerWaalsContact O-CG 3.31Å; A314-Q318 WeakPolarHBondContact O-CG 3.12Å; A314-Q318 PolarHBondContact O-N 3.1Å; A314-A326 HydrophobicContact CB-CB 4.16Å; A314-A326 WeakPolarHBondContact O-CB 3.39Å; A314-D329 HydrophobicContact CB-CB 3.99Å; A314-L330 HydrophobicContact CB-CD1 4.12Å; A314-L330 HydrophobicContact CB-CD2 3.97Å; A314-L330 HydrophobicContact CB-CG 3.59Å
315Q98.3Very high97.7Very high62 Ų6251.9 Ų51.929%0.2925%0.253SS..Hα-helixtrans-64.7-40.7172-67.6178.8-42.400111.8L284 Y311 R312 R313 Q318 G319L284-Q315 HydrophobicContact CD1-CB 4.2Å; L284-Q315 HydrophobicContact CD2-CB 4.06Å; Y311-Q315 HydrophobicContact CE1-CG 4.25Å; Y311-Q315 VanDerWaalsContact CE1-NE2 3.28Å; Y311-Q315 WeakPolarHBondContact O-CG 3.38Å; Y311-Q315 PolarHBondContact O-N 3.41Å; Y311-Q315 VanDerWaalsContact O-N 3.11Å; R312-Q315 WeakPolarHBondContact O-CB 3.41Å; R312-Q315 PolarHBondContact O-N 3.45Å; R312-Q315 VanDerWaalsContact O-N 3.14Å; R313-Q315 VanDerWaalsContact C-N 3.3Å; R313-Q315 PolarHBondContact O-N 3.44Å; Q315-Q318 PolarHBondContact O-N 2.93Å; Q315-G319 PolarHBondContact O-N 3.38Å; Q315-G319 VanDerWaalsContact O-N 3.12Å
316G98.2Very high97.8Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-60.2-49172.500000112.3R312 R313 Q318 G319 L320R312-G316 PolarHBondContact O-N 2.82Å; R313-G316 WeakPolarHBondContact O-CA 3.33Å; R313-G316 PolarHBondContact O-N 3.49Å; G316-Q318 VanDerWaalsContact C-N 3.3Å; G316-Q318 PolarHBondContact O-N 2.81Å; G316-G319 WeakPolarHBondContact O-CA 3.12Å; G316-G319 PolarHBondContact O-N 2.81Å; G316-L320 PolarHBondContact O-N 2.9Å; G316-L320 VanDerWaalsContact O-N 3.1Å
317W98.5Very high97.7Very high41 Ų4149 Ų4916%0.15523%0.233CC..Hα-helixtrans-58-41.2176.2-70.1135.6000112.8I293 R313 A314 G319 L320 K321 E322 Q325 A326 D329I293-W317 HydrophobicContact CD1-CD2 3.69Å; I293-W317 HydrophobicContact CD1-CE3 3.36Å; I293-W317 HydrophobicContact CD1-CG 4.39Å; I293-W317 HydrophobicContact CD1-CH2 4.07Å; I293-W317 HydrophobicContact CD1-CZ2 4.37Å; I293-W317 HydrophobicContact CD1-CZ3 3.56Å; I293-W317 HydrophobicContact CG1-CD2 4.09Å; I293-W317 HydrophobicContact CG1-CE3 4.23Å; I293-W317 HydrophobicContact CG1-CZ2 4.44Å; I293-W317 HydrophobicContact CG1-CZ3 4.46Å; I293-W317 HydrophobicContact CG2-CH2 3.65Å; I293-W317 HydrophobicContact CG2-CZ2 3.47Å; I293-W317 VanDerWaalsContact CG2-CZ2 3.47Å; I293-W317 HydrophobicContact CG2-CZ3 4.3Å; R313-W317 VanDerWaalsContact O-CD1 3.29Å; R313-W317 PolarHBondContact O-N 3.24Å; A314-W317 PolarHBondContact O-N 3.12Å; W317-G319 VanDerWaalsContact C-N 3.27Å; W317-G319 PolarHBondContact O-N 3.45Å; W317-L320 HydrophobicContact CE3-CD1 4.19Å; W317-L320 HydrophobicContact CZ3-CD1 4.14Å; W317-L320 CarbonylContact O-C 3.5Å; W317-L320 PolarHBondContact O-N 3.26Å; W317-L320 VanDerWaalsContact O-N 3.13Å; W317-K321 PolarHBondContact O-N 3.02Å; W317-E322 HydrophobicContact CB-CB 4.32Å; W317-E322 HydrophobicContact CD2-CB 4.47Å; W317-E322 HydrophobicContact CE3-CB 3.87Å; W317-E322 HydrophobicContact CE3-CG 4.17Å; W317-E322 PolarHBondContact O-N 3.46Å; W317-Q325 HydrophobicContact CB-CB 4.26Å; W317-Q325 HydrophobicContact CD2-CB 3.76Å; W317-Q325 HydrophobicContact CD2-CG 4.41Å; W317-Q325 HydrophobicContact CE3-CB 4.38Å; W317-Q325 HydrophobicContact CG-CB 3.67Å; W317-A326 HydrophobicContact CB-CB 3.83Å; W317-D329 VanDerWaalsContact CD1-OD2 3.29Å; W317-D329 PolarHBondContact NE1-OD2 2.99Å
318Q97.8Very high97.8Very high13 Ų1349.8 Ų49.86%0.06124%0.243CC..Hα-helixtrans-61.6-34.9173.8-76.5-177.576.300113.2A314 Q315 G316 L320 K321 Y323 A326 E346 V350A314-Q318 VanDerWaalsContact O-CG 3.31Å; A314-Q318 WeakPolarHBondContact O-CG 3.12Å; A314-Q318 PolarHBondContact O-N 3.1Å; Q315-Q318 PolarHBondContact O-N 2.93Å; G316-Q318 VanDerWaalsContact C-N 3.3Å; G316-Q318 PolarHBondContact O-N 2.81Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-K321 PolarHBondContact O-N 3.35Å; Q318-Y323 HydrophobicContact CB-CD1 4.49Å; Q318-Y323 HydrophobicContact CB-CE1 4.23Å; Q318-Y323 HydrophobicContact CG-CD1 4.09Å; Q318-Y323 HydrophobicContact CG-CE1 4.21Å; Q318-A326 HydrophobicContact CG-CB 3.87Å; Q318-E346 PolarHBondContact NE2-OE1 3.46Å; Q318-E346 PolarHBondContact OE1-OE1 2.79Å; Q318-V350 HydrophobicContact CG-CG2 3.79Å
319G96.6Very high97.8Very high29 Ų2944.1 Ų44.130%0.29922%0.218SC..Hα-helixtrans-64.7-36.9173.900000112.5Q315 G316 W317 K321Q315-G319 PolarHBondContact O-N 3.38Å; Q315-G319 VanDerWaalsContact O-N 3.12Å; G316-G319 WeakPolarHBondContact O-CA 3.12Å; G316-G319 PolarHBondContact O-N 2.81Å; W317-G319 VanDerWaalsContact C-N 3.27Å; W317-G319 PolarHBondContact O-N 3.45Å; G319-K321 VanDerWaalsContact C-N 3.28Å; G319-K321 PolarHBondContact O-N 3.09Å
320L97Very high97.8Very high66 Ų6644.1 Ų44.135%0.34622%0.218SC..THydrogen-bonded Turntrans-80.8-2.9172.5-62.5-176.3000114.1W289 I293 G316 W317 Q318 E322W289-L320 HydrophobicContact CB-CD2 3.8Å; W289-L320 HydrophobicContact CB-CG 3.82Å; W289-L320 HydrophobicContact CG-CD2 4.4Å; I293-L320 HydrophobicContact CD1-CD1 3.5Å; I293-L320 HydrophobicContact CD1-CG 4.24Å; G316-L320 PolarHBondContact O-N 2.9Å; G316-L320 VanDerWaalsContact O-N 3.1Å; W317-L320 HydrophobicContact CE3-CD1 4.19Å; W317-L320 HydrophobicContact CZ3-CD1 4.14Å; W317-L320 CarbonylContact O-C 3.5Å; W317-L320 PolarHBondContact O-N 3.26Å; W317-L320 VanDerWaalsContact O-N 3.13Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; L320-E322 HydrophobicContact CB-CG 4.18Å; L320-E322 PolarHBondContact O-N 2.89Å
321K96Very high97.8Very high146 Ų14648.9 Ų48.964%0.63524%0.239SC*.THydrogen-bonded Turntrans63.419.8-173.8-49.2177.7-176.9172.20114.5W317 Q318 G319 Y323W317-K321 PolarHBondContact O-N 3.02Å; Q318-K321 PolarHBondContact O-N 3.35Å; G319-K321 VanDerWaalsContact C-N 3.28Å; G319-K321 PolarHBondContact O-N 3.09Å; K321-Y323 VanDerWaalsContact C-N 3.27Å; K321-Y323 HydrophobicContact CB-CE2 4.23Å; K321-Y323 PolarHBondContact O-N 2.83Å
322E97Very high97.7Very high102 Ų10250.7 Ų50.748%0.47725%0.248SC..  trans-8467.3173.4-68.7-63.2160.200110.2W317 L320 D324 Q325 A326W317-E322 HydrophobicContact CB-CB 4.32Å; W317-E322 HydrophobicContact CD2-CB 4.47Å; W317-E322 HydrophobicContact CE3-CB 3.87Å; W317-E322 HydrophobicContact CE3-CG 4.17Å; W317-E322 PolarHBondContact O-N 3.46Å; L320-E322 HydrophobicContact CB-CG 4.18Å; L320-E322 PolarHBondContact O-N 2.89Å; E322-D324 VanDerWaalsContact C-N 3.33Å; E322-D324 PolarHBondContact O-N 2.98Å; E322-Q325 HydrophobicContact CB-CB 4.33Å; E322-Q325 HydrophobicContact CB-CG 4.28Å; E322-Q325 PolarHBondContact O-N 3.23Å; E322-A326 PolarHBondContact O-N 3.21Å; E322-A326 VanDerWaalsContact O-N 3.16Å
323Y97.1Very high97.7Very high37 Ų3748.2 Ų48.215%0.14524%0.239CC..Hα-helixtrans-69-26.6-168.7-61.1-50.6000114.6Q318 K321 A326 L327 K353 I354Q318-Y323 HydrophobicContact CB-CD1 4.49Å; Q318-Y323 HydrophobicContact CB-CE1 4.23Å; Q318-Y323 HydrophobicContact CG-CD1 4.09Å; Q318-Y323 HydrophobicContact CG-CE1 4.21Å; K321-Y323 VanDerWaalsContact C-N 3.27Å; K321-Y323 HydrophobicContact CB-CE2 4.23Å; K321-Y323 PolarHBondContact O-N 2.83Å; Y323-A326 PolarHBondContact O-N 2.99Å; Y323-L327 WeakPolarHBondContact O-CB 3.41Å; Y323-L327 PolarHBondContact O-N 3.46Å; Y323-K353 HydrophobicContact CD1-CB 4.37Å; Y323-K353 HydrophobicContact CD1-CD 4.25Å; Y323-K353 HydrophobicContact CD2-CB 4.42Å; Y323-K353 HydrophobicContact CE1-CB 4.24Å; Y323-K353 HydrophobicContact CE1-CD 3.62Å; Y323-K353 HydrophobicContact CE2-CB 4.24Å; Y323-K353 HydrophobicContact CG-CB 4.49Å; Y323-I354 VanDerWaalsContact CB-CG1 3.41Å; Y323-I354 HydrophobicContact CG-CG1 4.24Å
324D95.9Very high97.7Very high108 Ų10849.9 Ų49.958%0.57825%0.248SC*.Hα-helixtrans-68.6-39.1176.6-70.8-29.9000111.2E322 L327 A328E322-D324 VanDerWaalsContact C-N 3.33Å; E322-D324 PolarHBondContact O-N 2.98Å; D324-L327 PolarHBondContact O-N 2.87Å; D324-A328 PolarHBondContact O-N 2.77Å
325Q98Very high97.6Very high97 Ų9757.3 Ų57.345%0.45328%0.282SS..Hα-helixtrans-64.4-45.4172.9-62.7-63.4-25.300111W317 E322 L327 A328 D329W317-Q325 HydrophobicContact CB-CB 4.26Å; W317-Q325 HydrophobicContact CD2-CB 3.76Å; W317-Q325 HydrophobicContact CD2-CG 4.41Å; W317-Q325 HydrophobicContact CE3-CB 4.38Å; W317-Q325 HydrophobicContact CG-CB 3.67Å; E322-Q325 HydrophobicContact CB-CB 4.33Å; E322-Q325 HydrophobicContact CB-CG 4.28Å; E322-Q325 PolarHBondContact O-N 3.23Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.98Å; Q325-A328 PolarHBondContact O-N 3.38Å; Q325-D329 PolarHBondContact O-N 3.43Å
326A98.1Very high97.6Very high0 Ų057.9 Ų57.90%029%0.287CS..Hα-helixtrans-58.3-41175.300000112.2A314 W317 Q318 E322 Y323 L330 V350A314-A326 HydrophobicContact CB-CB 4.16Å; A314-A326 WeakPolarHBondContact O-CB 3.39Å; W317-A326 HydrophobicContact CB-CB 3.83Å; Q318-A326 HydrophobicContact CG-CB 3.87Å; E322-A326 PolarHBondContact O-N 3.21Å; E322-A326 VanDerWaalsContact O-N 3.16Å; Y323-A326 PolarHBondContact O-N 2.99Å; A326-L330 WeakPolarHBondContact O-CB 3.49Å; A326-L330 VanDerWaalsContact O-CG 3.29Å; A326-L330 WeakPolarHBondContact O-CG 3.29Å; A326-L330 PolarHBondContact O-N 3.17Å; A326-L330 VanDerWaalsContact O-N 3.09Å; A326-V350 HydrophobicContact CB-CG1 4.26Å; A326-V350 HydrophobicContact CB-CG2 4.36Å
327L98Very high97.5Very high27 Ų2759.1 Ų59.114%0.14130%0.297CS..Hα-helixtrans-66.3-41.4178.3-178.165.2000111.8Y323 D324 Q325 K331 L347 V350 K351 I354Y323-L327 WeakPolarHBondContact O-CB 3.41Å; Y323-L327 PolarHBondContact O-N 3.46Å; D324-L327 PolarHBondContact O-N 2.87Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.98Å; L327-K331 HydrophobicContact CG-CD 4.49Å; L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 WeakPolarHBondContact O-CG 3.3Å; L327-K331 PolarHBondContact O-N 2.8Å; L327-L347 HydrophobicContact CD1-CD2 3.73Å; L327-V350 HydrophobicContact CB-CG1 4.11Å; L327-K351 HydrophobicContact CD1-CG 4.07Å; L327-I354 HydrophobicContact CB-CD1 4.23Å; L327-I354 HydrophobicContact CD2-CD1 3.96Å
328A98.1Very high97.4Very high52 Ų5260.5 Ų60.543%0.4331%0.311SS..Hα-helixtrans-61.6-47.3177.300000111.6D324 Q325 L330 K331 K332D324-A328 PolarHBondContact O-N 2.77Å; Q325-A328 PolarHBondContact O-N 3.38Å; A328-L330 PolarHBondContact O-N 2.77Å; A328-K331 PolarHBondContact O-N 2.72Å; A328-K332 PolarHBondContact O-N 2.87Å; A328-K332 VanDerWaalsContact O-N 3.09Å
329D98.3Very high97.3Very high9 Ų967.6 Ų67.65%0.04834%0.344CS..Hα-helixtrans-61.5-45.2178.5-81.1-13.6000112.5L310 R313 A314 W317 Q325 K332 A333L310-D329 HydrophobicContact CD2-CB 4.45Å; R313-D329 WeakPolarHBondContact CG-OD2 3.47Å; R313-D329 IonicContact CZ-OD1 3.59Å; R313-D329 IonicContact CZ-OD2 3.58Å; R313-D329 IonicContact NE-OD1 2.78Å; R313-D329 PolarHBondContact NE-OD1 3.37Å; R313-D329 IonicContact NE-OD2 3.92Å; R313-D329 PolarHBondContact NE-OD2 3.19Å; R313-D329 IonicContact NH2-OD1 3.89Å; R313-D329 PolarHBondContact NH2-OD1 2.8Å; R313-D329 IonicContact NH2-OD2 2.79Å; A314-D329 HydrophobicContact CB-CB 3.99Å; W317-D329 VanDerWaalsContact CD1-OD2 3.29Å; W317-D329 PolarHBondContact NE1-OD2 2.99Å; Q325-D329 PolarHBondContact O-N 3.43Å; D329-K332 PolarHBondContact O-N 2.98Å; D329-A333 WeakPolarHBondContact O-CB 3.37Å; D329-A333 PolarHBondContact O-N 2.77Å
330L98.4Very high97.3Very high0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-69.1-33.4180-72.1169.2000113Y311 A314 A326 A328 A333 Q334 I343 E346 L347 V350Y311-L330 HydrophobicContact CD2-CD2 3.74Å; Y311-L330 HydrophobicContact CE2-CD2 4.26Å; A314-L330 HydrophobicContact CB-CD1 4.12Å; A314-L330 HydrophobicContact CB-CD2 3.97Å; A314-L330 HydrophobicContact CB-CG 3.59Å; A326-L330 WeakPolarHBondContact O-CB 3.49Å; A326-L330 VanDerWaalsContact O-CG 3.29Å; A326-L330 WeakPolarHBondContact O-CG 3.29Å; A326-L330 PolarHBondContact O-N 3.17Å; A326-L330 VanDerWaalsContact O-N 3.09Å; A328-L330 PolarHBondContact O-N 2.77Å; L330-A333 PolarHBondContact O-N 2.96Å; L330-Q334 WeakPolarHBondContact O-CB 3.31Å; L330-Q334 PolarHBondContact O-N 3.49Å; L330-I343 HydrophobicContact CD2-CG2 4.39Å; L330-E346 HydrophobicContact CD1-CB 4.24Å; L330-E346 HydrophobicContact CD1-CG 4.01Å; L330-E346 HydrophobicContact CD2-CB 4.21Å; L330-E346 HydrophobicContact CD2-CG 4.3Å; L330-L347 HydrophobicContact CB-CD1 4.48Å; L330-L347 HydrophobicContact CB-CD2 3.35Å; L330-L347 HydrophobicContact CB-CG 3.65Å; L330-L347 HydrophobicContact CD1-CD2 4.24Å; L330-L347 HydrophobicContact CD1-CG 4.36Å; L330-L347 HydrophobicContact CG-CD2 4.43Å; L330-V350 HydrophobicContact CD1-CB 4.35Å; L330-V350 HydrophobicContact CD1-CG2 3.74Å
331K98Very high97.3Very high100 Ų10074 Ų7444%0.43536%0.364SS..Hα-helixtrans-63.2-49.1172.7-79.2179.5-177.6-1800110.7L327 A328 A333 Q334 E335 L347L327-K331 HydrophobicContact CG-CD 4.49Å; L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 WeakPolarHBondContact O-CG 3.3Å; L327-K331 PolarHBondContact O-N 2.8Å; A328-K331 PolarHBondContact O-N 2.72Å; K331-A333 VanDerWaalsContact C-N 3.26Å; K331-A333 PolarHBondContact O-N 2.94Å; K331-Q334 WeakPolarHBondContact O-CB 3.43Å; K331-Q334 PolarHBondContact O-N 3.25Å; K331-Q334 VanDerWaalsContact O-N 3.1Å; K331-E335 WeakPolarHBondContact O-CG 3.4Å; K331-E335 PolarHBondContact O-N 2.93Å; K331-L347 HydrophobicContact CG-CD2 4.3Å
332K98Very high97.2Very high88 Ų8869.5 Ų69.538%0.38335%0.354SS..Hα-helixtrans-58.2-41.2175.4-172.9179.3176.6-170.90111.2P304 L310 A328 D329 E335 I336P304-K332 PolarHBondContact O-NZ 3.21Å; L310-K332 HydrophobicContact CD1-CB 4.22Å; L310-K332 HydrophobicContact CD1-CD 4.09Å; L310-K332 HydrophobicContact CD1-CG 3.92Å; L310-K332 HydrophobicContact CD2-CD 4.08Å; A328-K332 PolarHBondContact O-N 2.87Å; A328-K332 VanDerWaalsContact O-N 3.09Å; D329-K332 PolarHBondContact O-N 2.98Å; K332-E335 PolarHBondContact O-N 3.01Å; K332-I336 HydrophobicContact CG-CD1 4.26Å; K332-I336 WeakPolarHBondContact O-CD1 3.3Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 3.06Å
333A97.8Very high97.2Very high0 Ų064.7 Ų64.70%033%0.331CS..Hα-helixtrans-64.9-38.8176.900000112.4L310 D329 L330 K331 I336 A337 I343L310-A333 HydrophobicContact CB-CB 3.84Å; L310-A333 HydrophobicContact CD1-CB 4.02Å; D329-A333 WeakPolarHBondContact O-CB 3.37Å; D329-A333 PolarHBondContact O-N 2.77Å; L330-A333 PolarHBondContact O-N 2.96Å; K331-A333 VanDerWaalsContact C-N 3.26Å; K331-A333 PolarHBondContact O-N 2.94Å; A333-I336 PolarHBondContact O-N 3.42Å; A333-A337 PolarHBondContact O-N 2.86Å; A333-I343 HydrophobicContact CB-CD1 3.71Å; A333-I343 HydrophobicContact CB-CG1 4.39Å; A333-I343 HydrophobicContact CB-CG2 4.25Å
334Q97.9Very high97.2Very high70 Ų7066.3 Ų66.333%0.32734%0.34SS..Hα-helixtrans-68-36.6176.3-176177.34100112.4L330 K331 I336 A337 P338 I343 L347L330-Q334 WeakPolarHBondContact O-CB 3.31Å; L330-Q334 PolarHBondContact O-N 3.49Å; K331-Q334 WeakPolarHBondContact O-CB 3.43Å; K331-Q334 PolarHBondContact O-N 3.25Å; K331-Q334 VanDerWaalsContact O-N 3.1Å; Q334-I336 PolarHBondContact O-N 2.74Å; Q334-A337 CarbonylContact O-C 3.45Å; Q334-A337 VanDerWaalsContact O-C 3.28Å; Q334-A337 PolarHBondContact O-N 2.95Å; Q334-P338 WeakPolarHBondContact O-CA 3.43Å; Q334-I343 HydrophobicContact CB-CG2 3.9Å; Q334-L347 HydrophobicContact CB-CD1 3.9Å; Q334-L347 HydrophobicContact CG-CD1 4.24Å
335E97.6Very high97.3Very high156 Ų15663.9 Ų63.973%0.72934%0.335SS*.Hα-helixtrans-61-36.4174.5-72.3166.2-168.400111.6K331 K332K331-E335 WeakPolarHBondContact O-CG 3.4Å; K331-E335 PolarHBondContact O-N 2.93Å; K332-E335 PolarHBondContact O-N 3.01Å
336I97.3Very high97.2Very high75 Ų7560.1 Ų60.139%0.38532%0.318SS..Hα-helixtrans-80-39.9179.1-60.2161.2000111.5T307 L310 K332 A333 Q334T307-I336 HydrophobicContact CG2-CB 3.79Å; T307-I336 HydrophobicContact CG2-CG2 3.54Å; L310-I336 HydrophobicContact CD1-CD1 3.87Å; K332-I336 HydrophobicContact CG-CD1 4.26Å; K332-I336 WeakPolarHBondContact O-CD1 3.3Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 3.06Å; A333-I336 PolarHBondContact O-N 3.42Å; Q334-I336 PolarHBondContact O-N 2.74Å
337A96.3Very high97.1Very high25 Ų2560.3 Ų60.321%0.20732%0.319CS..  trans-129.777.6-178.500000111.3T307 A333 Q334 E339 D340 I343T307-A337 HydrophobicContact CG2-CB 3.92Å; A333-A337 PolarHBondContact O-N 2.86Å; Q334-A337 CarbonylContact O-C 3.45Å; Q334-A337 VanDerWaalsContact O-C 3.28Å; Q334-A337 PolarHBondContact O-N 2.95Å; A337-E339 VanDerWaalsContact C-N 3.27Å; A337-E339 PolarHBondContact O-N 3.42Å; A337-D340 HydrophobicContact CB-CB 4.12Å; A337-D340 WeakPolarHBondContact O-CB 3.33Å; A337-D340 PolarHBondContact O-N 2.92Å; A337-I343 HydrophobicContact CB-CD1 4.38Å
338P96.1Very high97Very high70 Ų7064.1 Ų64.146%0.45534%0.339SS..THydrogen-bonded Turntrans-65.4-28.9-172.423.3-33.6000113.7Q334 D340 Q344Q334-P338 WeakPolarHBondContact O-CA 3.43Å; P338-D340 VanDerWaalsContact C-N 3.35Å; P338-Q344 PolarHBondContact O-NE2 2.97Å
339E96Very high96.9Very high162 Ų16265.9 Ų65.976%0.75734%0.337SS*.THydrogen-bonded Turntrans-86.8-0.6-178.2-60-55139.700113.9A337 K341A337-E339 VanDerWaalsContact C-N 3.27Å; A337-E339 PolarHBondContact O-N 3.42Å; E339-K341 PolarHBondContact O-N 2.81Å; E339-K341 VanDerWaalsContact O-N 3.08Å
340D96Very high96.9Very high60 Ų6065.5 Ų65.532%0.32133%0.334SS..  trans-74.1104.5-179.2-169.2-50.4000111.1A337 P338 A342 I343 Q344A337-D340 HydrophobicContact CB-CB 4.12Å; A337-D340 WeakPolarHBondContact O-CB 3.33Å; A337-D340 PolarHBondContact O-N 2.92Å; P338-D340 VanDerWaalsContact C-N 3.35Å; D340-A342 PolarHBondContact O-N 2.79Å; D340-A342 WeakPolarHBondContact OD1-CA 3.44Å; D340-A342 VanDerWaalsContact OD1-CB 3.3Å; D340-A342 WeakPolarHBondContact OD1-CB 3.33Å; D340-A342 PolarHBondContact OD1-N 3.25Å; D340-I343 HydrophobicContact CB-CB 4.17Å; D340-I343 HydrophobicContact CB-CD1 3.78Å; D340-I343 HydrophobicContact CB-CG1 4.03Å; D340-I343 PolarHBondContact O-N 3.3Å; D340-I343 PolarHBondContact OD1-N 3.07Å; D340-Q344 WeakPolarHBondContact O-CG 3.2Å; D340-Q344 PolarHBondContact O-N 3.43Å
341K96.7Very high96.7Very high171 Ų17170.7 Ų70.774%0.74336%0.357SS*.Hα-helixtrans-61.4-30.1-179.4-64.4-174.8-180178.70113.3E339 A345E339-K341 PolarHBondContact O-N 2.81Å; E339-K341 VanDerWaalsContact O-N 3.08Å; K341-A345 VanDerWaalsContact O-CB 3.3Å; K341-A345 WeakPolarHBondContact O-CB 3.38Å; K341-A345 PolarHBondContact O-N 2.81Å
342A95.6Very high96.6Very high50 Ų5072.5 Ų72.541%0.41337%0.367SS..Hα-helixtrans-71.4-41.1179.200000110.7Y311 D340 E346Y311-A342 HydrophobicContact CE2-CB 4.39Å; D340-A342 PolarHBondContact O-N 2.79Å; D340-A342 WeakPolarHBondContact OD1-CA 3.44Å; D340-A342 VanDerWaalsContact OD1-CB 3.3Å; D340-A342 WeakPolarHBondContact OD1-CB 3.33Å; D340-A342 PolarHBondContact OD1-N 3.25Å; A342-E346 WeakPolarHBondContact O-CB 3.28Å; A342-E346 PolarHBondContact O-N 3.1Å
343I96.9Very high96.4Very high2 Ų271.6 Ų71.61%0.0136%0.363CS..Hα-helixtrans-63.6-46.9174.5-64.6173000110.5Y311 L330 A333 Q334 A337 D340 A345 E346 L347Y311-I343 HydrophobicContact CD2-CG1 3.85Å; Y311-I343 HydrophobicContact CE2-CG1 4.5Å; L330-I343 HydrophobicContact CD2-CG2 4.39Å; A333-I343 HydrophobicContact CB-CD1 3.71Å; A333-I343 HydrophobicContact CB-CG1 4.39Å; A333-I343 HydrophobicContact CB-CG2 4.25Å; Q334-I343 HydrophobicContact CB-CG2 3.9Å; A337-I343 HydrophobicContact CB-CD1 4.38Å; D340-I343 HydrophobicContact CB-CB 4.17Å; D340-I343 HydrophobicContact CB-CD1 3.78Å; D340-I343 HydrophobicContact CB-CG1 4.03Å; D340-I343 PolarHBondContact O-N 3.3Å; D340-I343 PolarHBondContact OD1-N 3.07Å; I343-A345 PolarHBondContact O-N 3.43Å; I343-E346 PolarHBondContact O-N 3.21Å; I343-L347 HydrophobicContact CG2-CD1 4.19Å; I343-L347 WeakPolarHBondContact O-CB 3.27Å; I343-L347 PolarHBondContact O-N 2.97Å
344Q96.9Very high96.3Very high70 Ų7072.7 Ų72.733%0.32737%0.369SS..Hα-helixtrans-58.7-46.5178.5-68.7175.71.200112.2P338 D340 L347 L348P338-Q344 PolarHBondContact O-NE2 2.97Å; D340-Q344 WeakPolarHBondContact O-CG 3.2Å; D340-Q344 PolarHBondContact O-N 3.43Å; Q344-L347 PolarHBondContact O-N 2.98Å; Q344-L348 PolarHBondContact O-N 3.07Å
345A96.9Very high96.1Very high58 Ų5876 Ų7648%0.47938%0.382SS..Hα-helixtrans-63.9-43.2178.200000112K341 I343 L348 K349K341-A345 VanDerWaalsContact O-CB 3.3Å; K341-A345 WeakPolarHBondContact O-CB 3.38Å; K341-A345 PolarHBondContact O-N 2.81Å; I343-A345 PolarHBondContact O-N 3.43Å; A345-L348 PolarHBondContact O-N 3.2Å; A345-K349 PolarHBondContact O-N 3.37Å; A345-K349 VanDerWaalsContact O-N 3.14Å
346E97Very high95.9Very high17 Ų1770.9 Ų70.98%0.07937%0.366CS..Hα-helixtrans-69.1-35.2-179.6-159.765.9-156.800111.8Y311 Q318 L330 A342 I343 L348 K349 V350Y311-E346 HydrophobicContact CE2-CB 3.67Å; Y311-E346 HydrophobicContact CE2-CG 3.99Å; Q318-E346 PolarHBondContact NE2-OE1 3.46Å; Q318-E346 PolarHBondContact OE1-OE1 2.79Å; L330-E346 HydrophobicContact CD1-CB 4.24Å; L330-E346 HydrophobicContact CD1-CG 4.01Å; L330-E346 HydrophobicContact CD2-CB 4.21Å; L330-E346 HydrophobicContact CD2-CG 4.3Å; A342-E346 WeakPolarHBondContact O-CB 3.28Å; A342-E346 PolarHBondContact O-N 3.1Å; I343-E346 PolarHBondContact O-N 3.21Å; E346-L348 PolarHBondContact O-N 3.34Å; E346-K349 WeakPolarHBondContact O-CB 3.2Å; E346-K349 PolarHBondContact O-N 3.14Å; E346-K349 IonicContact OE1-NZ 2.86Å; E346-K349 PolarHBondContact OE1-NZ 2.8Å; E346-K349 IonicContact OE2-NZ 3.28Å; E346-K349 PolarHBondContact OE2-NZ 3.2Å; E346-V350 WeakPolarHBondContact O-CG2 3.4Å; E346-V350 PolarHBondContact O-N 2.73Å
347L96.2Very high95.6Very high5 Ų570.8 Ų70.83%0.02636%0.364CS..Hα-helixtrans-57.7-46.4172.2-88.3170.4000112.5L327 L330 K331 Q334 I343 Q344 K349 V350 K351L327-L347 HydrophobicContact CD1-CD2 3.73Å; L330-L347 HydrophobicContact CB-CD1 4.48Å; L330-L347 HydrophobicContact CB-CD2 3.35Å; L330-L347 HydrophobicContact CB-CG 3.65Å; L330-L347 HydrophobicContact CD1-CD2 4.24Å; L330-L347 HydrophobicContact CD1-CG 4.36Å; L330-L347 HydrophobicContact CG-CD2 4.43Å; K331-L347 HydrophobicContact CG-CD2 4.3Å; Q334-L347 HydrophobicContact CB-CD1 3.9Å; Q334-L347 HydrophobicContact CG-CD1 4.24Å; I343-L347 HydrophobicContact CG2-CD1 4.19Å; I343-L347 WeakPolarHBondContact O-CB 3.27Å; I343-L347 PolarHBondContact O-N 2.97Å; Q344-L347 PolarHBondContact O-N 2.98Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 3.39Å; L347-V350 PolarHBondContact O-N 3.24Å; L347-K351 WeakPolarHBondContact O-CG 3.48Å; L347-K351 PolarHBondContact O-N 3.5Å
348L95.8Very high95.3Very high106 Ų10675.1 Ų75.156%0.55538%0.378SS*.Hα-helixtrans-61.8-43.8178-70.9172.4000110.9Q344 A345 E346 K351 Q352Q344-L348 PolarHBondContact O-N 3.07Å; A345-L348 PolarHBondContact O-N 3.2Å; E346-L348 PolarHBondContact O-N 3.34Å; L348-K351 PolarHBondContact O-N 2.54Å; L348-Q352 WeakPolarHBondContact O-CG 3.29Å; L348-Q352 PolarHBondContact O-N 3Å
349K96.1Very high95.2Very high90 Ų9075.5 Ų75.539%0.39138%0.377SS..Hα-helixtrans-62-43.5177.6-179-179165.8-152.70112.5A345 E346 L347 Q352 K353A345-K349 PolarHBondContact O-N 3.37Å; A345-K349 VanDerWaalsContact O-N 3.14Å; E346-K349 WeakPolarHBondContact O-CB 3.2Å; E346-K349 PolarHBondContact O-N 3.14Å; E346-K349 IonicContact OE1-NZ 2.86Å; E346-K349 PolarHBondContact OE1-NZ 2.8Å; E346-K349 IonicContact OE2-NZ 3.28Å; E346-K349 PolarHBondContact OE2-NZ 3.2Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 3.39Å; K349-Q352 PolarHBondContact O-N 3.48Å; K349-K353 WeakPolarHBondContact O-CG 3.48Å; K349-K353 PolarHBondContact O-N 2.92Å
350V96.6Very high95Very high0 Ų075 Ų750%037%0.372CS..Hα-helixtrans-65.3-43.8176.4172.50000111.1Q318 A326 L327 L330 E346 L347 Q352 K353 I354Q318-V350 HydrophobicContact CG-CG2 3.79Å; A326-V350 HydrophobicContact CB-CG1 4.26Å; A326-V350 HydrophobicContact CB-CG2 4.36Å; L327-V350 HydrophobicContact CB-CG1 4.11Å; L330-V350 HydrophobicContact CD1-CB 4.35Å; L330-V350 HydrophobicContact CD1-CG2 3.74Å; E346-V350 WeakPolarHBondContact O-CG2 3.4Å; E346-V350 PolarHBondContact O-N 2.73Å; L347-V350 PolarHBondContact O-N 3.24Å; V350-Q352 VanDerWaalsContact C-N 3.29Å; V350-Q352 PolarHBondContact O-N 2.84Å; V350-K353 WeakPolarHBondContact O-CB 3.38Å; V350-K353 PolarHBondContact O-N 3.28Å; V350-K353 VanDerWaalsContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 3.95Å; V350-I354 HydrophobicContact CG1-CG1 4.41Å; V350-I354 WeakPolarHBondContact O-CG1 3.44Å; V350-I354 PolarHBondContact O-N 2.88Å
351K95.8Very high94.7Very high109 Ų10976.4 Ų76.447%0.47438%0.377SS..Hα-helixtrans-58.1-41.2175.6-74.4174.5-180176.40112.2L327 L347 L348 I354 K355L327-K351 HydrophobicContact CD1-CG 4.07Å; L347-K351 WeakPolarHBondContact O-CG 3.48Å; L347-K351 PolarHBondContact O-N 3.5Å; L348-K351 PolarHBondContact O-N 2.54Å; K351-I354 PolarHBondContact O-N 3.13Å; K351-K355 PolarHBondContact O-N 2.81Å; K351-K355 VanDerWaalsContact O-N 3.07Å
352Q95.4Very high94.5Very high139 Ų13975.1 Ų75.165%0.6537%0.371SS*.Hα-helixtrans-64.4-42175.3-72.6174.2-2.100112.1L348 K349 V350 K355 A356L348-Q352 WeakPolarHBondContact O-CG 3.29Å; L348-Q352 PolarHBondContact O-N 3Å; K349-Q352 PolarHBondContact O-N 3.48Å; V350-Q352 VanDerWaalsContact C-N 3.29Å; V350-Q352 PolarHBondContact O-N 2.84Å; Q352-K355 PolarHBondContact O-N 2.83Å; Q352-A356 WeakPolarHBondContact O-CB 3.47Å; Q352-A356 PolarHBondContact O-N 3.28Å
353K94.4Very high94.3Very high68 Ų6875.2 Ų75.230%0.29637%0.372SS..Hα-helixtrans-61.9-44.4175.7-74.6-177.7177.9177.40112.6Y323 K349 V350 K355 A356 Q357Y323-K353 HydrophobicContact CD1-CB 4.37Å; Y323-K353 HydrophobicContact CD1-CD 4.25Å; Y323-K353 HydrophobicContact CD2-CB 4.42Å; Y323-K353 HydrophobicContact CE1-CB 4.24Å; Y323-K353 HydrophobicContact CE1-CD 3.62Å; Y323-K353 HydrophobicContact CE2-CB 4.24Å; Y323-K353 HydrophobicContact CG-CB 4.49Å; K349-K353 WeakPolarHBondContact O-CG 3.48Å; K349-K353 PolarHBondContact O-N 2.92Å; V350-K353 WeakPolarHBondContact O-CB 3.38Å; V350-K353 PolarHBondContact O-N 3.28Å; V350-K353 VanDerWaalsContact O-N 3.11Å; K353-K355 VanDerWaalsContact C-N 3.34Å; K353-K355 PolarHBondContact O-N 3.02Å; K353-A356 PolarHBondContact O-N 2.83Å; K353-Q357 WeakPolarHBondContact O-CB 3.33Å; K353-Q357 PolarHBondContact O-N 2.76Å
354I94.1Very high94Very high23 Ų2378.9 Ų78.912%0.11839%0.394CS..Hα-helixtrans-59.3-47.2176.2-67.3168.6000110.4Y323 L327 V350 K351 Q357 K358Y323-I354 VanDerWaalsContact CB-CG1 3.41Å; Y323-I354 HydrophobicContact CG-CG1 4.24Å; L327-I354 HydrophobicContact CB-CD1 4.23Å; L327-I354 HydrophobicContact CD2-CD1 3.96Å; V350-I354 HydrophobicContact CG1-CD1 3.95Å; V350-I354 HydrophobicContact CG1-CG1 4.41Å; V350-I354 WeakPolarHBondContact O-CG1 3.44Å; V350-I354 PolarHBondContact O-N 2.88Å; K351-I354 PolarHBondContact O-N 3.13Å; I354-Q357 PolarHBondContact O-N 2.93Å; I354-K358 HydrophobicContact CG2-CD 4.26Å; I354-K358 WeakPolarHBondContact O-CG 3.42Å; I354-K358 PolarHBondContact O-N 3.41Å
355K94.8Very high93.6Very high140 Ų14082.5 Ų82.561%0.60941%0.406SS*.Hα-helixtrans-59.2-49.8177.6-175.2-179.8177.5-1770111K351 Q352 K353 Q357 K358 D359K351-K355 PolarHBondContact O-N 2.81Å; K351-K355 VanDerWaalsContact O-N 3.07Å; Q352-K355 PolarHBondContact O-N 2.83Å; K353-K355 VanDerWaalsContact C-N 3.34Å; K353-K355 PolarHBondContact O-N 3.02Å; K355-Q357 VanDerWaalsContact C-N 3.29Å; K355-Q357 PolarHBondContact O-N 2.72Å; K355-K358 PolarHBondContact O-N 2.83Å; K355-D359 VanDerWaalsContact O-CG 3.25Å; K355-D359 PolarHBondContact O-N 2.91Å
356A92.7Very high93.2Very high48 Ų4882.9 Ų82.940%0.39741%0.409SS..Hα-helixtrans-61.1-35.8179.700000112.9Q352 K353 K360Q352-A356 WeakPolarHBondContact O-CB 3.47Å; Q352-A356 PolarHBondContact O-N 3.28Å; K353-A356 PolarHBondContact O-N 2.83Å; A356-K360 WeakPolarHBondContact O-CG 3.16Å; A356-K360 PolarHBondContact O-N 3.14Å; A356-K360 VanDerWaalsContact O-N 3.12Å
357Q90.8Very high92.7Very high74 Ų7490.1 Ų90.135%0.34644%0.44SS..Hα-helixtrans-67.9-47.3175.8179.2167.3-14.100111.8K353 I354 K355 D359 K360 E361K353-Q357 WeakPolarHBondContact O-CB 3.33Å; K353-Q357 PolarHBondContact O-N 2.76Å; I354-Q357 PolarHBondContact O-N 2.93Å; K355-Q357 VanDerWaalsContact C-N 3.29Å; K355-Q357 PolarHBondContact O-N 2.72Å; Q357-D359 VanDerWaalsContact C-N 3.3Å; Q357-D359 PolarHBondContact O-N 3.25Å; Q357-K360 WeakPolarHBondContact O-CB 3.21Å; Q357-K360 PolarHBondContact O-N 2.57Å; Q357-K360 VanDerWaalsContact O-N 3.17Å; Q357-E361 VanDerWaalsContact CG-OE1 3.28Å; Q357-E361 WeakPolarHBondContact CG-OE1 3.44Å; Q357-E361 PolarHBondContact NE2-OE1 3.15Å; Q357-E361 WeakPolarHBondContact O-CG 3.41Å; Q357-E361 PolarHBondContact O-N 3.37Å
358K91.6Very high92.1Very high115 Ų11596.4 Ų96.450%0.547%0.471SS..Hα-helixtrans-60.6-39.7176.3-71.7-178.1178.8-177.70112.3I354 K355 K360 E361 K362I354-K358 HydrophobicContact CG2-CD 4.26Å; I354-K358 WeakPolarHBondContact O-CG 3.42Å; I354-K358 PolarHBondContact O-N 3.41Å; K355-K358 PolarHBondContact O-N 2.83Å; K358-K360 VanDerWaalsContact C-N 3.34Å; K358-E361 PolarHBondContact O-N 3.08Å; K358-K362 WeakPolarHBondContact O-CB 3.1Å; K358-K362 VanDerWaalsContact O-CG 3.29Å; K358-K362 WeakPolarHBondContact O-CG 3.32Å; K358-K362 PolarHBondContact O-N 3.49Å
359D93.5Very high91.3Very high78 Ų7899.9 Ų99.942%0.41748%0.482SS..Hα-helixtrans-65.8-38.2177.7-68.1-19.9000111.3K355 Q357 A363K355-D359 VanDerWaalsContact O-CG 3.25Å; K355-D359 PolarHBondContact O-N 2.91Å; Q357-D359 VanDerWaalsContact C-N 3.3Å; Q357-D359 PolarHBondContact O-N 3.25Å; D359-A363 WeakPolarHBondContact O-CB 3.43Å; D359-A363 PolarHBondContact O-N 2.82Å
360K91.5Very high89.8Confident153 Ų153102 Ų10267%0.66552%0.516SS*.Hα-helixtrans-65.9-46.1173.1-77.1179.4-179.4-176.80112.5A356 Q357 K358 K362 A363 V364A356-K360 WeakPolarHBondContact O-CG 3.16Å; A356-K360 PolarHBondContact O-N 3.14Å; A356-K360 VanDerWaalsContact O-N 3.12Å; Q357-K360 WeakPolarHBondContact O-CB 3.21Å; Q357-K360 PolarHBondContact O-N 2.57Å; Q357-K360 VanDerWaalsContact O-N 3.17Å; K358-K360 VanDerWaalsContact C-N 3.34Å; K360-K362 VanDerWaalsContact C-N 3.34Å; K360-K362 PolarHBondContact O-N 3.04Å; K360-A363 PolarHBondContact O-N 2.7Å; K360-V364 WeakPolarHBondContact O-CG2 3.24Å; K360-V364 PolarHBondContact O-N 2.93Å
361E90Very high89.5Confident89 Ų89107.2 Ų107.242%0.41654%0.542SS..Hα-helixtrans-58.9-47.4177.8-73.1166.7-172.100110.6Q357 K358 A363 V364 Y365Q357-E361 VanDerWaalsContact CG-OE1 3.28Å; Q357-E361 WeakPolarHBondContact CG-OE1 3.44Å; Q357-E361 PolarHBondContact NE2-OE1 3.15Å; Q357-E361 WeakPolarHBondContact O-CG 3.41Å; Q357-E361 PolarHBondContact O-N 3.37Å; K358-E361 PolarHBondContact O-N 3.08Å; E361-A363 VanDerWaalsContact C-N 3.32Å; E361-A363 PolarHBondContact O-N 2.98Å; E361-V364 PolarHBondContact O-N 2.92Å; E361-V364 VanDerWaalsContact O-N 3.16Å; E361-Y365 WeakPolarHBondContact O-CD2 3.43Å; E361-Y365 PolarHBondContact O-N 2.87Å
362K91.6Very high89.1Confident144 Ų144107.1 Ų107.163%0.62655%0.546SS*.Hα-helixtrans-56.7-44.1174.4-75.2176.6180-178.10112.6K358 K360 V364 Y365 A366K358-K362 WeakPolarHBondContact O-CB 3.1Å; K358-K362 VanDerWaalsContact O-CG 3.29Å; K358-K362 WeakPolarHBondContact O-CG 3.32Å; K358-K362 PolarHBondContact O-N 3.49Å; K360-K362 VanDerWaalsContact C-N 3.34Å; K360-K362 PolarHBondContact O-N 3.04Å; K362-V364 VanDerWaalsContact C-N 3.33Å; K362-V364 PolarHBondContact O-N 2.95Å; K362-Y365 PolarHBondContact O-N 3.39Å; K362-A366 WeakPolarHBondContact O-CB 3.23Å; K362-A366 PolarHBondContact O-N 3.46Å
363A91.5Very high88.8Confident52 Ų52105.3 Ų105.343%0.4354%0.54SS..Hα-helixtrans-65.9-34.8178.600000112.8D359 K360 E361 K367D359-A363 WeakPolarHBondContact O-CB 3.43Å; D359-A363 PolarHBondContact O-N 2.82Å; K360-A363 PolarHBondContact O-N 2.7Å; E361-A363 VanDerWaalsContact C-N 3.32Å; E361-A363 PolarHBondContact O-N 2.98Å; A363-K367 WeakPolarHBondContact O-CG 3.46Å; A363-K367 PolarHBondContact O-N 2.98Å
364V90.4Very high88.5Confident78 Ų78107.5 Ų107.547%0.47355%0.554SS.*Hα-helixtrans-68-48.1174.4172.30000110.6K360 E361 K362 A366 K367 M368K360-V364 WeakPolarHBondContact O-CG2 3.24Å; K360-V364 PolarHBondContact O-N 2.93Å; E361-V364 PolarHBondContact O-N 2.92Å; E361-V364 VanDerWaalsContact O-N 3.16Å; K362-V364 VanDerWaalsContact C-N 3.33Å; K362-V364 PolarHBondContact O-N 2.95Å; V364-A366 VanDerWaalsContact C-N 3.34Å; V364-A366 PolarHBondContact O-N 3.16Å; V364-K367 PolarHBondContact O-N 3.14Å; V364-K367 VanDerWaalsContact O-N 3.14Å; V364-M368 HydrophobicContact CG1-CE 4.03Å; V364-M368 HydrophobicContact CG1-SD 4.31Å; V364-M368 PolarHBondContact O-N 2.71Å; V364-M368 VanDerWaalsContact O-N 3.1Å
365Y88.3Confident88.1Confident147 Ų147112.8 Ų112.858%0.57658%0.582SS**Hα-helixtrans-58.1-45.4176-83.6-69.4000112E361 K362 K367 M368 F369E361-Y365 WeakPolarHBondContact O-CD2 3.43Å; E361-Y365 PolarHBondContact O-N 2.87Å; K362-Y365 PolarHBondContact O-N 3.39Å; Y365-K367 PolarHBondContact O-N 2.88Å; Y365-M368 PolarHBondContact O-N 3.01Å; Y365-M368 VanDerWaalsContact O-N 3.09Å; Y365-F369 HydrophobicContact CD1-CE2 4.02Å; Y365-F369 VanDerWaalsContact O-CD2 3.25Å; Y365-F369 WeakPolarHBondContact O-CD2 3.34Å; Y365-F369 PolarHBondContact O-N 3.49Å
366A88.6Confident87.7Confident65 Ų65110.9 Ų110.954%0.53758%0.58SS.*Hα-helixtrans-59.8-31.7177.900000113.2K362 V364 A370K362-A366 WeakPolarHBondContact O-CB 3.23Å; K362-A366 PolarHBondContact O-N 3.46Å; V364-A366 VanDerWaalsContact C-N 3.34Å; V364-A366 PolarHBondContact O-N 3.16Å; A366-A370 VanDerWaalsContact O-CB 3.32Å; A366-A370 WeakPolarHBondContact O-CB 3.5Å; A366-A370 PolarHBondContact O-N 3.17Å
367K86.8Confident87.3Confident169 Ų169115.4 Ų115.474%0.73559%0.593SS**Hα-helixtrans-81.3-20.9175.9-74-179.1179.2-174.30114.4A363 V364 Y365A363-K367 WeakPolarHBondContact O-CG 3.46Å; A363-K367 PolarHBondContact O-N 2.98Å; V364-K367 PolarHBondContact O-N 3.14Å; V364-K367 VanDerWaalsContact O-N 3.14Å; Y365-K367 PolarHBondContact O-N 2.88Å
368M83Confident87Confident138 Ų138118.6 Ų118.668%0.6861%0.612SS**Hα-helixtrans-80.5-20.8177.2-75.9-178.6167.700112.7V364 Y365V364-M368 HydrophobicContact CG1-CE 4.03Å; V364-M368 HydrophobicContact CG1-SD 4.31Å; V364-M368 PolarHBondContact O-N 2.71Å; V364-M368 VanDerWaalsContact O-N 3.1Å; Y365-M368 PolarHBondContact O-N 3.01Å; Y365-M368 VanDerWaalsContact O-N 3.09Å
369F79.4Confident86.7Confident179 Ų179118.9 Ų118.979%0.78562%0.621SS**  trans-113.38.1-179.1-63.5-69.5000113.7Y365Y365-F369 HydrophobicContact CD1-CE2 4.02Å; Y365-F369 VanDerWaalsContact O-CD2 3.25Å; Y365-F369 WeakPolarHBondContact O-CD2 3.34Å; Y365-F369 PolarHBondContact O-N 3.49Å
370A65.4Low86Confident135 Ų135122.6 Ų122.6100%1.11664%0.64SS**  trans-107.90168.500000108.4A366A366-A370 VanDerWaalsContact O-CB 3.32Å; A366-A370 WeakPolarHBondContact O-CB 3.5Å; A366-A370 PolarHBondContact O-N 3.17Å

Retrieved 370 of 370 residues in 185.8 ms (Link to these results)

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