A0A096LPE7_HUMAN Loading...

Cdc42 guanine nucleotide exchange factor 9

AlphaFold DB , UniProt , Accession A0A096LPE7, Species HUMAN (Homo sapiens, Human), Gene ARHGEF9, Length 134 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
1M49.4Very low84Confident237 Ų237114.1 Ų114.1100%1.16766%0.661SS**  0-2.80-74.5166.6177.100113.4N3M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.38Å; M1-N3 VanDerWaalsContact O-N 3.1Å
2A50.4Low85.1Confident75 Ų75111.3 Ų111.362%0.6264%0.642SS**THydrogen-bonded Turntrans-85.844.1-174.500000115.7
3N63Low86Confident164 Ų164109.6 Ų109.688%0.87763%0.634SS**THydrogen-bonded Turntrans-12610.8-179-83.6-19.7000113.9M1M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.38Å; M1-N3 VanDerWaalsContact O-N 3.1Å
4R86.8Confident86.8Confident129 Ų129103.6 Ų103.649%0.48760%0.599SS.*  trans-99.3119.9-176.8-163.1174.3179.7178-3.1110.3E32 G34 W35R4-E32 IonicContact CZ-OE1 2.65Å; R4-E32 IonicContact CZ-OE2 3.7Å; R4-E32 IonicContact NH1-OE1 3.88Å; R4-E32 IonicContact NH2-OE1 2.9Å; R4-E32 PolarHBondContact NH2-OE1 3.1Å; R4-E32 IonicContact NH2-OE2 3.32Å; R4-E32 PolarHBondContact NH2-OE2 2.97Å; R4-G34 CarbonylContact O-C 3.59Å; R4-G34 WeakPolarHBondContact O-CA 3.42Å; R4-W35 PolarHBondContact O-N 2.83Å
5E95Very high87.4Confident141 Ų141105.9 Ų105.966%0.65960%0.598SS**BIsolated β-bridgetrans-80.9146165.9-67.2179.6-172.600109.6W35E5-W35 CarbonylContact C-O 3.55Å; E5-W35 VanDerWaalsContact CA-O 3.29Å; E5-W35 WeakPolarHBondContact CA-O 3.29Å
6L96.2Very high88Confident10 Ų10102.9 Ų102.95%0.05258%0.583CS.*  trans-95.7114.4176.9-172.167.5000109.2F8 I14 I29 E32 W35 F36L6-F8 WeakPolarHBondContact O-CD1 3.33Å; L6-I14 HydrophobicContact CD2-CG2 3.94Å; L6-I29 HydrophobicContact CD1-CD1 4.31Å; L6-I29 HydrophobicContact CD2-CD1 3.92Å; L6-I29 HydrophobicContact CD2-CG1 4.03Å; L6-I29 HydrophobicContact CG-CD1 4.02Å; L6-E32 HydrophobicContact CD1-CB 4.2Å; L6-W35 PolarHBondContact N-O 3.4Å; L6-F36 HydrophobicContact CB-CB 4.34Å; L6-F36 HydrophobicContact CD2-CD1 4.18Å
7A95.6Very high88.4Confident93 Ų93101.2 Ų101.277%0.76957%0.572SS**  trans-88.8139.8175.200000110.6
8F97Very high88.8Confident60 Ų6099.2 Ų99.226%0.26356%0.559SS.*  trans-152.9169.9-177.759-83.9000111L6 D12 I14 I29 F36 F40 V41L6-F8 WeakPolarHBondContact O-CD1 3.33Å; F8-D12 HydrophobicContact CB-CB 4.28Å; F8-I14 HydrophobicContact CB-CD1 4.27Å; F8-I14 HydrophobicContact CD1-CD1 3.87Å; F8-I14 HydrophobicContact CD2-CD1 4.12Å; F8-I14 HydrophobicContact CE1-CD1 4.26Å; F8-I14 HydrophobicContact CE2-CD1 4.44Å; F8-I14 HydrophobicContact CG-CD1 3.82Å; F8-I29 HydrophobicContact CB-CD1 3.66Å; F8-F36 HydrophobicContact CD1-CB 4.45Å; F8-F36 HydrophobicContact CE1-CB 3.81Å; F8-F40 HydrophobicContact CE2-CB 4.19Å; F8-F40 HydrophobicContact CZ-CB 3.74Å; F8-V41 HydrophobicContact CE2-CG1 4.36Å; F8-V41 HydrophobicContact CZ-CG1 4.38Å
9K97.6Very high89.2Confident162 Ų16296.8 Ų96.870%0.70455%0.553SS**  trans-118.3162176.5-62.4-179.8-175.31730110.8G11 D12K9-G11 PolarHBondContact O-N 3.26Å; K9-D12 PolarHBondContact N-OD2 3.32Å; K9-D12 WeakPolarHBondContact O-CB 3.26Å; K9-D12 PolarHBondContact O-N 2.91Å; K9-D12 VanDerWaalsContact O-N 3.11Å
10A97.6Very high89.5Confident109 Ų10997.1 Ų97.190%0.90156%0.561SS**THydrogen-bonded Turntrans-60124.8174.800000110.4
11G96Very high89.7Confident75 Ų7596.1 Ų96.177%0.77355%0.554SS**THydrogen-bonded Turntrans102.9-14.3-177.100000114.4K9K9-G11 PolarHBondContact O-N 3.26Å
12D96.9Very high91.9Very high80 Ų8092.9 Ų92.943%0.42853%0.533SS..  trans-67.3142.9174.8-63.9-11.7000110.5F8 K9F8-D12 HydrophobicContact CB-CB 4.28Å; K9-D12 PolarHBondContact N-OD2 3.32Å; K9-D12 WeakPolarHBondContact O-CB 3.26Å; K9-D12 PolarHBondContact O-N 2.91Å; K9-D12 VanDerWaalsContact O-N 3.11Å
13V96.3Very high94.1Very high90 Ų9093.3 Ų93.355%0.54553%0.526SS..  trans-101.3125.5178.3-177.60000108.8W44V13-W44 HydrophobicContact CB-CZ2 4.38Å; V13-W44 HydrophobicContact CG1-CH2 3.8Å; V13-W44 HydrophobicContact CG1-CZ2 3.66Å; V13-W44 HydrophobicContact CG2-CH2 4.32Å; V13-W44 HydrophobicContact CG2-CZ2 3.73Å
14I97.1Very high95.7Very high26 Ų2690.6 Ų90.613%0.13350%0.503CS..  trans-113.5126-176.8-48.7-174.3000108.6L6 F8 V16 I29 F36 V41L6-I14 HydrophobicContact CD2-CG2 3.94Å; F8-I14 HydrophobicContact CB-CD1 4.27Å; F8-I14 HydrophobicContact CD1-CD1 3.87Å; F8-I14 HydrophobicContact CD2-CD1 4.12Å; F8-I14 HydrophobicContact CE1-CD1 4.26Å; F8-I14 HydrophobicContact CE2-CD1 4.44Å; F8-I14 HydrophobicContact CG-CD1 3.82Å; I14-V16 PolarHBondContact O-N 2.78Å; I14-I29 HydrophobicContact CB-CG1 4.34Å; I14-I29 HydrophobicContact CD1-CD1 4.08Å; I14-I29 HydrophobicContact CG1-CD1 3.85Å; I14-I29 HydrophobicContact CG1-CG1 3.85Å; I14-I29 HydrophobicContact CG2-CG1 4.28Å; I14-F36 HydrophobicContact CD1-CD2 4.24Å; I14-F36 HydrophobicContact CD1-CE2 4.38Å; I14-F36 HydrophobicContact CD1-CG 4.41Å; I14-F36 HydrophobicContact CG2-CD1 4.29Å; I14-F36 HydrophobicContact CG2-CE1 3.82Å; I14-F36 HydrophobicContact CG2-CZ 3.99Å; I14-V41 HydrophobicContact CD1-CG1 4.1Å
15K96.4Very high96.2Very high137 Ų13786.3 Ų86.360%0.59649%0.487SS*.EExtended strand (participates in β ladder)trans-78.8116.3168.6-174.4178.1-178.6179.70108.5L17 G27 Q28K15-L17 HydrophobicContact CD-CD2 4.32Å; K15-L17 HydrophobicContact CG-CD2 4.31Å; K15-G27 CarbonylContact O-C 3.52Å; K15-G27 WeakPolarHBondContact O-CA 3.47Å; K15-Q28 HydrophobicContact CB-CB 4.49Å; K15-Q28 PolarHBondContact N-O 3.05Å; K15-Q28 PolarHBondContact O-N 3.47Å
16V96.5Very high96.3Very high59 Ų5982 Ų8236%0.35847%0.465SS..EExtended strand (participates in β ladder)trans-78.2124.1178-171.20000109.1I14 A19 W25 F36I14-V16 PolarHBondContact O-N 2.78Å; V16-A19 HydrophobicContact CG1-CB 4.01Å; V16-W25 HydrophobicContact CG1-CB 4.38Å; V16-W25 HydrophobicContact CG1-CE3 4.25Å; V16-W25 HydrophobicContact CG2-CE3 4.29Å; V16-F36 HydrophobicContact CG2-CZ 4.19Å
17L95.5Very high96.3Very high74 Ų7481.5 Ų81.539%0.38746%0.462SS..EExtended strand (participates in β ladder)trans-103.8-35.2-179.2-61.7-178.9000112K15 W26 Q28 E33K15-L17 HydrophobicContact CD-CD2 4.32Å; K15-L17 HydrophobicContact CG-CD2 4.31Å; L17-W26 PolarHBondContact N-O 3.06Å; L17-Q28 HydrophobicContact CD1-CB 4.01Å; L17-Q28 HydrophobicContact CG-CB 4.37Å; L17-E33 HydrophobicContact CD1-CG 4.12Å
18D95.3Very high96.4Very high64 Ų6479.4 Ų79.434%0.34244%0.436SS..EExtended strand (participates in β ladder)trans-143.1124.5173.8-1750.6000110.6S20 W25 W26D18-S20 WeakPolarHBondContact OD1-CB 3.38Å; D18-S20 PolarHBondContact OD1-N 2.94Å; D18-S20 PolarHBondContact OD1-OG 2.98Å; D18-S20 PolarHBondContact OD2-OG 3.15Å; D18-W25 CarbonylContact O-C 3.54Å; D18-W25 VanDerWaalsContact O-CA 3.28Å; D18-W25 WeakPolarHBondContact O-CA 3.47Å; D18-W25 WeakPolarHBondContact O-CB 3.42Å; D18-W26 HydrophobicContact CB-CB 3.87Å; D18-W26 PolarHBondContact N-O 3.44Å; D18-W26 VanDerWaalsContact N-O 3.07Å; D18-W26 PolarHBondContact O-N 3.23Å
19A95.9Very high96.3Very high54 Ų5478 Ų7845%0.44643%0.431SS..  trans-12323176.100000112.7V16 N21 W25V16-A19 HydrophobicContact CG1-CB 4.01Å; A19-N21 PolarHBondContact O-N 3.47Å; A19-W25 HydrophobicContact CB-CD2 4.02Å; A19-W25 HydrophobicContact CB-CG 4.03Å; A19-W25 HydrophobicContact CB-CZ2 4.46Å
20S94.9Very high96Very high103 Ų10377.2 Ų77.272%0.7244%0.435SS*.  trans-63.8-27.8-179.759.90000113.3D18D18-S20 WeakPolarHBondContact OD1-CB 3.38Å; D18-S20 PolarHBondContact OD1-N 2.94Å; D18-S20 PolarHBondContact OD1-OG 2.98Å; D18-S20 PolarHBondContact OD2-OG 3.15Å
21N95.1Very high95.7Very high76 Ų7679.7 Ų79.741%0.40643%0.433SS..SBendtrans-92.7143.1172.1-177-55.8000110.6A19 D23 W24 W25A19-N21 PolarHBondContact O-N 3.47Å; N21-D23 PolarHBondContact OD1-N 3.28Å; N21-W24 WeakPolarHBondContact CB-O 3.25Å; N21-W24 PolarHBondContact OD1-N 2.95Å; N21-W25 PolarHBondContact O-NE1 3.47Å
22K94.8Very high95.6Very high169 Ų16980.8 Ų80.874%0.73542%0.418SS*.SBendtrans-72.8-29.4-176.268.3174-164.8-179.80114.5
23D96.2Very high95.5Very high85 Ų8580.9 Ų80.946%0.45542%0.416SS..SBendtrans-108.6-30.3-169.8-61.9-43.8000111.9N21 P37 A38N21-D23 PolarHBondContact OD1-N 3.28Å; D23-P37 CarbonylContact O-C 3.59Å; D23-P37 WeakPolarHBondContact O-CA 3.4Å; D23-A38 PolarHBondContact O-N 2.91Å
24W96.6Very high95.6Very high106 Ų10676.6 Ų76.640%0.40239%0.39SS..EExtended strand (participates in β ladder)trans-128.6121.2-174-73.990.7000111.1N21 W35N21-W24 WeakPolarHBondContact CB-O 3.25Å; N21-W24 PolarHBondContact OD1-N 2.95Å; W24-W35 HydrophobicContact CB-CE3 4.16Å; W24-W35 HydrophobicContact CE3-CB 4.04Å; W24-W35 HydrophobicContact CZ3-CB 4.42Å; W24-W35 WeakPolarHBondContact O-CZ3 3.41Å
25W97.5Very high95.5Very high40 Ų4079 Ų7915%0.15240%0.397CS..EExtended strand (participates in β ladder)trans-111.7148.7180-64.3-12000110.6V16 D18 A19 N21 W35 F36 A38 V41 L43V16-W25 HydrophobicContact CG1-CB 4.38Å; V16-W25 HydrophobicContact CG1-CE3 4.25Å; V16-W25 HydrophobicContact CG2-CE3 4.29Å; D18-W25 CarbonylContact O-C 3.54Å; D18-W25 VanDerWaalsContact O-CA 3.28Å; D18-W25 WeakPolarHBondContact O-CA 3.47Å; D18-W25 WeakPolarHBondContact O-CB 3.42Å; A19-W25 HydrophobicContact CB-CD2 4.02Å; A19-W25 HydrophobicContact CB-CG 4.03Å; A19-W25 HydrophobicContact CB-CZ2 4.46Å; N21-W25 PolarHBondContact O-NE1 3.47Å; W25-W35 CarbonylContact O-C 3.56Å; W25-W35 WeakPolarHBondContact O-CA 3.21Å; W25-F36 HydrophobicContact CB-CD1 4.47Å; W25-F36 HydrophobicContact CB-CE1 3.81Å; W25-F36 HydrophobicContact CB-CE2 4.14Å; W25-F36 HydrophobicContact CB-CZ 3.64Å; W25-F36 HydrophobicContact CE3-CE2 4.02Å; W25-F36 AromaticContact CE3-CZ 4Å; W25-F36 HydrophobicContact CE3-CZ 4Å; W25-F36 PolarHBondContact N-O 3.14Å; W25-F36 VanDerWaalsContact O-CD1 3.26Å; W25-F36 WeakPolarHBondContact O-CD1 3.36Å; W25-F36 PolarHBondContact O-N 3.27Å; W25-A38 HydrophobicContact CD2-CB 3.63Å; W25-A38 VanDerWaalsContact CE2-CB 3.42Å; W25-A38 HydrophobicContact CE3-CB 4.06Å; W25-A38 HydrophobicContact CG-CB 4.09Å; W25-A38 HydrophobicContact CH2-CB 4.12Å; W25-A38 HydrophobicContact CZ2-CB 3.7Å; W25-A38 HydrophobicContact CZ3-CB 4.28Å; W25-V41 HydrophobicContact CE3-CG2 4.15Å; W25-V41 HydrophobicContact CZ3-CG2 3.82Å; W25-L43 HydrophobicContact CH2-CD1 4.12Å; W25-L43 HydrophobicContact CH2-CD2 4.16Å; W25-L43 HydrophobicContact CH2-CG 4.22Å; W25-L43 HydrophobicContact CZ3-CD2 3.81Å; W25-L43 HydrophobicContact CZ3-CG 4.29Å
26W97Very high95.6Very high50 Ų5072.5 Ų72.519%0.18937%0.369CS..EExtended strand (participates in β ladder)trans-91.6131.9169.5-168.5-106.1000108.2L17 D18 E33 G34 W35L17-W26 PolarHBondContact N-O 3.06Å; D18-W26 HydrophobicContact CB-CB 3.87Å; D18-W26 PolarHBondContact N-O 3.44Å; D18-W26 VanDerWaalsContact N-O 3.07Å; D18-W26 PolarHBondContact O-N 3.23Å; W26-E33 HydrophobicContact CZ2-CB 3.75Å; W26-E33 PolarHBondContact NE1-OE2 3.37Å; W26-E33 VanDerWaalsContact NE1-OE2 3.07Å; W26-G34 VanDerWaalsContact CZ3-CA 3.41Å; W26-W35 HydrophobicContact CB-CE3 4.19Å; W26-W35 HydrophobicContact CB-CH2 4.15Å; W26-W35 HydrophobicContact CB-CZ3 3.96Å; W26-W35 HydrophobicContact CE3-CB 4.25Å; W26-W35 AromaticContact CE3-CD1 3.53Å; W26-W35 AromaticContact CE3-CD2 3.54Å; W26-W35 HydrophobicContact CE3-CD2 3.54Å; W26-W35 AromaticContact CE3-CE2 3.47Å; W26-W35 VanDerWaalsContact CE3-CE2 3.47Å; W26-W35 HydrophobicContact CE3-CE3 4.26Å; W26-W35 AromaticContact CE3-CG 3.53Å; W26-W35 HydrophobicContact CE3-CG 3.53Å; W26-W35 HydrophobicContact CE3-CZ2 4.1Å; W26-W35 VanDerWaalsContact CE3-N 3.31Å; W26-W35 AromaticContact CE3-NE1 3.47Å; W26-W35 HydrophobicContact CZ3-CB 4.41Å; W26-W35 AromaticContact CZ3-CD1 3.32Å; W26-W35 HydrophobicContact CZ3-CD2 4.17Å; W26-W35 AromaticContact CZ3-CE2 3.97Å; W26-W35 AromaticContact CZ3-CG 3.74Å; W26-W35 HydrophobicContact CZ3-CG 3.74Å; W26-W35 VanDerWaalsContact CZ3-N 3.32Å; W26-W35 AromaticContact CZ3-NE1 3.44Å
27G96.8Very high95.7Very high0 Ų071 Ų710%036%0.361CS..EExtended strand (participates in β ladder)trans-150.4177179.900000113.4K15 E33 G34K15-G27 CarbonylContact O-C 3.52Å; K15-G27 WeakPolarHBondContact O-CA 3.47Å; G27-E33 VanDerWaalsContact O-CA 3.31Å; G27-E33 WeakPolarHBondContact O-CA 3.28Å; G27-G34 PolarHBondContact N-O 3.06Å; G27-G34 PolarHBondContact O-N 3.37Å
28Q96.6Very high95.8Very high49 Ų4968.2 Ų68.223%0.22935%0.348CS..EExtended strand (participates in β ladder)trans-133136.2-174.6-175.9174.650.100111K15 L17 D30 E32 E33K15-Q28 HydrophobicContact CB-CB 4.49Å; K15-Q28 PolarHBondContact N-O 3.05Å; K15-Q28 PolarHBondContact O-N 3.47Å; L17-Q28 HydrophobicContact CD1-CB 4.01Å; L17-Q28 HydrophobicContact CG-CB 4.37Å; Q28-D30 VanDerWaalsContact CG-O 3.3Å; Q28-D30 WeakPolarHBondContact CG-O 3.17Å; Q28-E32 VanDerWaalsContact CA-O 3.29Å; Q28-E32 WeakPolarHBondContact CA-O 3.19Å; Q28-E33 HydrophobicContact CB-CG 4.03Å; Q28-E33 HydrophobicContact CG-CG 3.98Å; Q28-E33 PolarHBondContact NE2-OE1 3.17Å
29I96.1Very high95.9Very high30 Ų3070.1 Ų70.115%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-125.8121.6166.1-63164.2000106.3L6 F8 I14 D31 E32L6-I29 HydrophobicContact CD1-CD1 4.31Å; L6-I29 HydrophobicContact CD2-CD1 3.92Å; L6-I29 HydrophobicContact CD2-CG1 4.03Å; L6-I29 HydrophobicContact CG-CD1 4.02Å; F8-I29 HydrophobicContact CB-CD1 3.66Å; I14-I29 HydrophobicContact CB-CG1 4.34Å; I14-I29 HydrophobicContact CD1-CD1 4.08Å; I14-I29 HydrophobicContact CG1-CD1 3.85Å; I14-I29 HydrophobicContact CG1-CG1 3.85Å; I14-I29 HydrophobicContact CG2-CG1 4.28Å; I29-D31 PolarHBondContact O-N 3.11Å; I29-D31 VanDerWaalsContact O-N 3.15Å; I29-E32 PolarHBondContact N-O 3.13Å; I29-E32 PolarHBondContact O-N 3.26Å
30D91.7Very high95.9Very high145 Ų14574.7 Ų74.778%0.77538%0.376SS*.THydrogen-bonded Turntrans49.7-117.1-171.8-56.6-40.3000111.2Q28Q28-D30 VanDerWaalsContact CG-O 3.3Å; Q28-D30 WeakPolarHBondContact CG-O 3.17Å
31D90.8Very high96.1Very high162 Ų16272 Ų7287%0.86636%0.355SS*.THydrogen-bonded Turntrans-98.21.8178.4-62.9-47.9000113.4I29I29-D31 PolarHBondContact O-N 3.11Å; I29-D31 VanDerWaalsContact O-N 3.15Å
32E93.7Very high96.1Very high98 Ų9876.3 Ų76.346%0.45837%0.366SS..EExtended strand (participates in β ladder)trans-98.6128.6-179.2-59.8-145.2146.300112.3R4 L6 Q28 I29R4-E32 IonicContact CZ-OE1 2.65Å; R4-E32 IonicContact CZ-OE2 3.7Å; R4-E32 IonicContact NH1-OE1 3.88Å; R4-E32 IonicContact NH2-OE1 2.9Å; R4-E32 PolarHBondContact NH2-OE1 3.1Å; R4-E32 IonicContact NH2-OE2 3.32Å; R4-E32 PolarHBondContact NH2-OE2 2.97Å; L6-E32 HydrophobicContact CD1-CB 4.2Å; Q28-E32 VanDerWaalsContact CA-O 3.29Å; Q28-E32 WeakPolarHBondContact CA-O 3.19Å; I29-E32 PolarHBondContact N-O 3.13Å; I29-E32 PolarHBondContact O-N 3.26Å
33E95.8Very high96.1Very high82 Ų8272.7 Ų72.738%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-115.2146174.6-64-175.9-167.900111.9L17 W26 G27 Q28L17-E33 HydrophobicContact CD1-CG 4.12Å; W26-E33 HydrophobicContact CZ2-CB 3.75Å; W26-E33 PolarHBondContact NE1-OE2 3.37Å; W26-E33 VanDerWaalsContact NE1-OE2 3.07Å; G27-E33 VanDerWaalsContact O-CA 3.31Å; G27-E33 WeakPolarHBondContact O-CA 3.28Å; Q28-E33 HydrophobicContact CB-CG 4.03Å; Q28-E33 HydrophobicContact CG-CG 3.98Å; Q28-E33 PolarHBondContact NE2-OE1 3.17Å
34G96.5Very high95.9Very high0 Ų077.2 Ų77.20%037%0.365CS..EExtended strand (participates in β ladder)trans-176.3172.4178.200000114.3R4 W26 G27R4-G34 CarbonylContact O-C 3.59Å; R4-G34 WeakPolarHBondContact O-CA 3.42Å; W26-G34 VanDerWaalsContact CZ3-CA 3.41Å; G27-G34 PolarHBondContact N-O 3.06Å; G27-G34 PolarHBondContact O-N 3.37Å
35W96.8Very high95.5Very high75 Ų7574.5 Ų74.528%0.28436%0.36SS..EExtended strand (participates in β ladder)trans-78.6136.2172.1-71.8109.6000111R4 E5 L6 W24 W25 W26R4-W35 PolarHBondContact O-N 2.83Å; E5-W35 CarbonylContact C-O 3.55Å; E5-W35 VanDerWaalsContact CA-O 3.29Å; E5-W35 WeakPolarHBondContact CA-O 3.29Å; L6-W35 PolarHBondContact N-O 3.4Å; W24-W35 HydrophobicContact CB-CE3 4.16Å; W24-W35 HydrophobicContact CE3-CB 4.04Å; W24-W35 HydrophobicContact CZ3-CB 4.42Å; W24-W35 WeakPolarHBondContact O-CZ3 3.41Å; W25-W35 CarbonylContact O-C 3.56Å; W25-W35 WeakPolarHBondContact O-CA 3.21Å; W26-W35 HydrophobicContact CB-CE3 4.19Å; W26-W35 HydrophobicContact CB-CH2 4.15Å; W26-W35 HydrophobicContact CB-CZ3 3.96Å; W26-W35 HydrophobicContact CE3-CB 4.25Å; W26-W35 AromaticContact CE3-CD1 3.53Å; W26-W35 AromaticContact CE3-CD2 3.54Å; W26-W35 HydrophobicContact CE3-CD2 3.54Å; W26-W35 AromaticContact CE3-CE2 3.47Å; W26-W35 VanDerWaalsContact CE3-CE2 3.47Å; W26-W35 HydrophobicContact CE3-CE3 4.26Å; W26-W35 AromaticContact CE3-CG 3.53Å; W26-W35 HydrophobicContact CE3-CG 3.53Å; W26-W35 HydrophobicContact CE3-CZ2 4.1Å; W26-W35 VanDerWaalsContact CE3-N 3.31Å; W26-W35 AromaticContact CE3-NE1 3.47Å; W26-W35 HydrophobicContact CZ3-CB 4.41Å; W26-W35 AromaticContact CZ3-CD1 3.32Å; W26-W35 HydrophobicContact CZ3-CD2 4.17Å; W26-W35 AromaticContact CZ3-CE2 3.97Å; W26-W35 AromaticContact CZ3-CG 3.74Å; W26-W35 HydrophobicContact CZ3-CG 3.74Å; W26-W35 VanDerWaalsContact CZ3-N 3.32Å; W26-W35 AromaticContact CZ3-NE1 3.44Å
36F97.7Very high95.1Very high2 Ų274.6 Ų74.61%0.00936%0.363CS..EExtended strand (participates in β ladder)trans-138.4152.4172.767.5-81.5000111.6L6 F8 I14 V16 W25 V41L6-F36 HydrophobicContact CB-CB 4.34Å; L6-F36 HydrophobicContact CD2-CD1 4.18Å; F8-F36 HydrophobicContact CD1-CB 4.45Å; F8-F36 HydrophobicContact CE1-CB 3.81Å; I14-F36 HydrophobicContact CD1-CD2 4.24Å; I14-F36 HydrophobicContact CD1-CE2 4.38Å; I14-F36 HydrophobicContact CD1-CG 4.41Å; I14-F36 HydrophobicContact CG2-CD1 4.29Å; I14-F36 HydrophobicContact CG2-CE1 3.82Å; I14-F36 HydrophobicContact CG2-CZ 3.99Å; V16-F36 HydrophobicContact CG2-CZ 4.19Å; W25-F36 HydrophobicContact CB-CD1 4.47Å; W25-F36 HydrophobicContact CB-CE1 3.81Å; W25-F36 HydrophobicContact CB-CE2 4.14Å; W25-F36 HydrophobicContact CB-CZ 3.64Å; W25-F36 HydrophobicContact CE3-CE2 4.02Å; W25-F36 AromaticContact CE3-CZ 4Å; W25-F36 HydrophobicContact CE3-CZ 4Å; W25-F36 PolarHBondContact N-O 3.14Å; W25-F36 VanDerWaalsContact O-CD1 3.26Å; W25-F36 WeakPolarHBondContact O-CD1 3.36Å; W25-F36 PolarHBondContact O-N 3.27Å; F36-V41 HydrophobicContact CD2-CG1 3.91Å; F36-V41 HydrophobicContact CE2-CB 4.42Å; F36-V41 HydrophobicContact CE2-CG1 3.69Å; F36-V41 HydrophobicContact CE2-CG2 3.87Å
37P97.5Very high94.2Very high28 Ų2877.9 Ų77.918%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-74.9127.7-179.828.2-33.1000111.5D23 S39 F40D23-P37 CarbonylContact O-C 3.59Å; D23-P37 WeakPolarHBondContact O-CA 3.4Å; P37-S39 PolarHBondContact O-N 2.71Å; P37-F40 HydrophobicContact CB-CD2 3.84Å; P37-F40 HydrophobicContact CB-CE2 4.37Å; P37-F40 HydrophobicContact CG-CB 4.09Å; P37-F40 HydrophobicContact CG-CD2 3.49Å; P37-F40 VanDerWaalsContact CG-CD2 3.49Å; P37-F40 HydrophobicContact CG-CE2 4.07Å; P37-F40 HydrophobicContact CG-CG 3.83Å; P37-F40 PolarHBondContact O-N 2.9Å
38A97.7Very high92.9Very high14 Ų1485 Ų8512%0.11641%0.414CS..G310 helixtrans-60.5-28.9-179.600000112.9D23 W25 F40 V41D23-A38 PolarHBondContact O-N 2.91Å; W25-A38 HydrophobicContact CD2-CB 3.63Å; W25-A38 VanDerWaalsContact CE2-CB 3.42Å; W25-A38 HydrophobicContact CE3-CB 4.06Å; W25-A38 HydrophobicContact CG-CB 4.09Å; W25-A38 HydrophobicContact CH2-CB 4.12Å; W25-A38 HydrophobicContact CZ2-CB 3.7Å; W25-A38 HydrophobicContact CZ3-CB 4.28Å; A38-F40 PolarHBondContact O-N 3.06Å; A38-V41 VanDerWaalsContact O-CG2 3.25Å; A38-V41 WeakPolarHBondContact O-CG2 3.49Å; A38-V41 PolarHBondContact O-N 3.3Å
39S97.3Very high90.6Very high104 Ų10489.6 Ų89.673%0.72744%0.44SS*.G310 helixtrans-72.2-8.6-179.455.90000114.7P37P37-S39 PolarHBondContact O-N 2.71Å
40F97.8Very high88.3Confident151 Ų15197.1 Ų97.166%0.66248%0.475SS*.G310 helixtrans-100.21.2-179.9-76.9-117.5000112.9F8 P37 A38F8-F40 HydrophobicContact CE2-CB 4.19Å; F8-F40 HydrophobicContact CZ-CB 3.74Å; P37-F40 HydrophobicContact CB-CD2 3.84Å; P37-F40 HydrophobicContact CB-CE2 4.37Å; P37-F40 HydrophobicContact CG-CB 4.09Å; P37-F40 HydrophobicContact CG-CD2 3.49Å; P37-F40 VanDerWaalsContact CG-CD2 3.49Å; P37-F40 HydrophobicContact CG-CE2 4.07Å; P37-F40 HydrophobicContact CG-CG 3.83Å; P37-F40 PolarHBondContact O-N 2.9Å; A38-F40 PolarHBondContact O-N 3.06Å
41V97.3Very high86Confident46 Ų4696.2 Ų96.228%0.27947%0.474SS..  trans-121.6158.7179.9-61.90000111.4F8 I14 W25 F36 A38F8-V41 HydrophobicContact CE2-CG1 4.36Å; F8-V41 HydrophobicContact CZ-CG1 4.38Å; I14-V41 HydrophobicContact CD1-CG1 4.1Å; W25-V41 HydrophobicContact CE3-CG2 4.15Å; W25-V41 HydrophobicContact CZ3-CG2 3.82Å; F36-V41 HydrophobicContact CD2-CG1 3.91Å; F36-V41 HydrophobicContact CE2-CB 4.42Å; F36-V41 HydrophobicContact CE2-CG1 3.69Å; F36-V41 HydrophobicContact CE2-CG2 3.87Å; A38-V41 VanDerWaalsContact O-CG2 3.25Å; A38-V41 WeakPolarHBondContact O-CG2 3.49Å; A38-V41 PolarHBondContact O-N 3.3Å
42R96.1Very high83.8Confident167 Ų16796.9 Ų96.963%0.6347%0.472SS*.  trans-120.3123.8169.2-176.2178.2-178.7147.30.1108.6E89R42-E89 IonicContact CZ-OE2 3.89Å; R42-E89 IonicContact NH2-OE1 3.97Å; R42-E89 PolarHBondContact NH2-OE1 2.85Å; R42-E89 IonicContact NH2-OE2 3.37Å; R42-E89 PolarHBondContact NH2-OE2 3.22Å
43L94.6Very high81.4Confident92 Ų92101.1 Ų101.148%0.48249%0.492SS..PPolyproline II helixtrans-66.1140.3173.9-68-179.4000110.4W25W25-L43 HydrophobicContact CH2-CD1 4.12Å; W25-L43 HydrophobicContact CH2-CD2 4.16Å; W25-L43 HydrophobicContact CH2-CG 4.22Å; W25-L43 HydrophobicContact CZ3-CD2 3.81Å; W25-L43 HydrophobicContact CZ3-CG 4.29Å
44W92.8Very high78.5Confident180 Ų180100.2 Ų100.268%0.68251%0.505SS*.PPolyproline II helixtrans-67.9142.8170.8-66.9-5.2000110.3V13 Q47V13-W44 HydrophobicContact CB-CZ2 4.38Å; V13-W44 HydrophobicContact CG1-CH2 3.8Å; V13-W44 HydrophobicContact CG1-CZ2 3.66Å; V13-W44 HydrophobicContact CG2-CH2 4.32Å; V13-W44 HydrophobicContact CG2-CZ2 3.73Å; W44-Q47 HydrophobicContact CB-CG 4.19Å; W44-Q47 WeakPolarHBondContact O-CG 3.46Å; W44-Q47 PolarHBondContact O-NE2 3.34Å
45V88Confident76.3Confident50 Ų50106.1 Ų106.130%0.30354%0.543SS..SBendtrans-80.1142.2171.4-171.60000107.7N85 V86 E89V45-N85 HydrophobicContact CG1-CB 3.98Å; V45-V86 HydrophobicContact CB-CG2 4.02Å; V45-V86 HydrophobicContact CG1-CG2 4.07Å; V45-V86 HydrophobicContact CG2-CG2 4.45Å; V45-E89 HydrophobicContact CG2-CB 4.15Å; V45-E89 HydrophobicContact CG2-CG 3.98Å
46N87.9Confident73.4Confident41 Ų41108 Ų10822%0.21957%0.568CS.*  trans69.252.1-178.2-41.8-54.9000113.8E48 M82 N85N46-E48 PolarHBondContact O-N 3.35Å; N46-E48 VanDerWaalsContact O-N 3.11Å; N46-M82 HydrophobicContact CB-CE 3.94Å; N46-M82 HydrophobicContact CB-CG 4.36Å; N46-M82 PolarHBondContact ND2-O 2.91Å; N46-N85 WeakPolarHBondContact OD1-CB 3.44Å; N46-N85 PolarHBondContact OD1-ND2 3.06Å
47Q79.4Confident70.9Confident120 Ų120115.5 Ų115.556%0.56161%0.608SS**  trans-79.837.1171.1-68.2174.336.700112.4W44 D49W44-Q47 HydrophobicContact CB-CG 4.19Å; W44-Q47 WeakPolarHBondContact O-CG 3.46Å; W44-Q47 PolarHBondContact O-NE2 3.34Å; Q47-D49 PolarHBondContact O-N 2.82Å
48E68.4Low68.2Low149 Ų149120.8 Ų120.870%0.69664%0.64SS**  trans-61.6126.7176-68.6178.6-167.800108.6N46 E50N46-E48 PolarHBondContact O-N 3.35Å; N46-E48 VanDerWaalsContact O-N 3.11Å; E48-E50 PolarHBondContact O-N 2.96Å; E48-E50 VanDerWaalsContact O-N 3.13Å
49D49.4Very low65.7Low145 Ų145128.5 Ų128.578%0.77567%0.673SS**  trans-51.9117.8-177.7-67.1-57.6000109.8Q47 V51Q47-D49 PolarHBondContact O-N 2.82Å; D49-V51 HydrophobicContact CB-CG2 3.71Å; D49-V51 PolarHBondContact O-N 3.42Å
50E47.1Very low62.9Low189 Ų189131.3 Ų131.388%0.88368%0.68SS**  trans-65.977.5152.5-71.5-173.5174.300107.1E48 E52E48-E50 PolarHBondContact O-N 2.96Å; E48-E50 VanDerWaalsContact O-N 3.13Å; E50-E52 PolarHBondContact O-N 2.96Å
51V43.4Very low60.1Low126 Ų126128 Ų12876%0.76469%0.688SS**  trans-70.989.5157.3-172.80000105.3D49D49-V51 HydrophobicContact CB-CG2 3.71Å; D49-V51 PolarHBondContact O-N 3.42Å
52E43.8Very low57.2Low176 Ų176133.8 Ų133.882%0.82271%0.712SS**PPolyproline II helixtrans-56.1147.7167.7-107.8-160.7154.200110.8E50E50-E52 PolarHBondContact O-N 2.96Å
53E44.1Very low54.6Low186 Ų186133.8 Ų133.887%0.86972%0.723SS**PPolyproline II helixtrans-64.2145.3-162.2-57.2-174.4146.600115.2
54G35Very low52.2Low64 Ų64135.5 Ų135.566%0.6673%0.733SS**PPolyproline II helixtrans-86.3132.6153.900000109.6S56G54-S56 PolarHBondContact O-N 2.86Å
55P49.5Very low50.2Low124 Ų124132.9 Ų132.981%0.80574%0.739SS**PPolyproline II helixtrans-78.3119.9176.732-29.9000108.7
56S37.4Very low48.3Very low115 Ų115137.9 Ų137.980%0.80477%0.765SS**  trans-122.885.5162.639.90000109.8G54 V58G54-S56 PolarHBondContact O-N 2.86Å; S56-V58 PolarHBondContact O-N 2.9Å
57D44.6Very low46.2Very low158 Ų158141.4 Ų141.485%0.84579%0.792SS**  trans-56.7113.3155.6-80.8-49.4000109.7
58V40.2Very low44.3Very low140 Ų140142.7 Ų142.785%0.84880%0.803SS**  trans-153.1117.5133.8-150.30000110.3S56S56-V58 PolarHBondContact O-N 2.9Å
59Q46.4Very low43.2Very low175 Ų175140.8 Ų140.882%0.81881%0.805SS**  trans-67142.3165.7-76.7165.11.500111.3
60N38Very low43.1Very low164 Ų164141.3 Ų141.388%0.87781%0.807SS**  -175117129.1-96-32.5000113.8
61G37.7Very low43Very low80 Ų80138.1 Ų138.183%0.82580%0.804SS**  trans68.5106.5134.600000121.1
62H36.7Very low43.1Very low168 Ų168138.9 Ų138.978%0.77880%0.803SS**  163.6127.3110.7-160.556.9000108.9D64H62-D64 IonicContact CD2-OD2 3.89Å
63L43Very low43.2Very low167 Ų167132.3 Ų132.387%0.87478%0.782SS**  trans-93.3107.7176.9-77.2161.8000108.9
64D44.1Very low43.5Very low129 Ų129134.1 Ų134.169%0.6978%0.781SS**  trans-92.4120.2166.2-90.3-59.7000110.2H62 N66H62-D64 IonicContact CD2-OD2 3.89Å; D64-N66 PolarHBondContact O-N 2.98Å
65P49.7Very low44.3Very low125 Ų125135.5 Ų135.581%0.81278%0.778SS**SBendtrans-93.533-17436.2-34.5000114.2
66N49.3Very low44.3Very low155 Ų155135 Ų13583%0.82977%0.769SS**  trans-150.934.1-177.9-150.150.3000116.5D64D64-N66 PolarHBondContact O-N 2.98Å
67S43.6Very low45.3Very low115 Ų115136.2 Ų136.280%0.80476%0.761SS**SBendtrans-101.8124.6164.2-95.80000110.1
68D39.5Very low46.8Very low147 Ų147133 Ų13379%0.78674%0.744SS**  trans-39.1134.6175.1-71.3-52.4000112.9L70D68-L70 PolarHBondContact O-N 3.25Å
69C43.9Very low49.1Very low109 Ų109135.2 Ų135.274%0.73674%0.737SS**  trans-57.593.3175.6-176.60000110.8
70L48.2Very low51.2Low155 Ų155131.9 Ų131.981%0.81273%0.725SS**  trans-119.428.8173.9-72.9178.8000112.6D68D68-L70 PolarHBondContact O-N 3.25Å
71C45.1Very low53.7Low122 Ų122129.1 Ų129.182%0.82471%0.707SS**  trans-104.517.9-172-44.30000115
72L44.6Very low56.3Low143 Ų143129.1 Ų129.175%0.74969%0.686SS**SBendtrans-118.42.5-178.3-92.5132.4000115.2
73G45.8Very low59Low37 Ų37129.2 Ų129.238%0.38168%0.68SS.*SBendtrans-92.4-12-173.300000117.1Q77G73-Q77 WeakPolarHBondContact O-CG 3.19Å
74R50.2Low61.5Low225 Ų225123 Ų12385%0.84965%0.652SS**Hα-helixtrans-80.9-30.4-162.7-133.8174.6-175.8-155.9-0.9116.9
75P53.1Low63.9Low92 Ų92118.9 Ų118.960%0.59763%0.63SS**Hα-helixtrans-79.6-32.6177.6-1226.8000113.7R79P75-R79 PolarHBondContact O-N 3.15Å
76L49Very low66Low115 Ų115115.5 Ų115.560%0.60261%0.607SS**Hα-helixtrans-73.1-41.4-175.7-74.1160.5000111.6N78 R79 D80L76-N78 PolarHBondContact O-N 2.97Å; L76-R79 PolarHBondContact O-N 2.91Å; L76-R79 VanDerWaalsContact O-N 3.16Å; L76-D80 PolarHBondContact O-N 3.02Å
77Q57.8Low68.3Low139 Ų139111.7 Ų111.765%0.6559%0.586SS**Hα-helixtrans-60.1-34.9176.3-75.7174.8-8.500112.4G73 Q81G73-Q77 WeakPolarHBondContact O-CG 3.19Å; Q77-Q81 VanDerWaalsContact O-CB 3.31Å; Q77-Q81 WeakPolarHBondContact O-CB 3.31Å; Q77-Q81 PolarHBondContact O-N 3.02Å
78N77.8Confident70.8Confident90 Ų90111 Ų11148%0.48157%0.573SS.*Hα-helixtrans-67-42.9177-160.8-6.3000111.2L76 Q81 M82L76-N78 PolarHBondContact O-N 2.97Å; N78-Q81 PolarHBondContact O-N 3.18Å; N78-M82 VanDerWaalsContact O-CG 3.27Å; N78-M82 WeakPolarHBondContact O-CG 3.5Å; N78-M82 PolarHBondContact O-N 2.85Å
79R87.1Confident73.6Confident187 Ų187106.3 Ų106.371%0.70655%0.547SS*.Hα-helixtrans-67.7-39.6177.9-65.1-173.571.41662.7113.1P75 L76 Q81 M82 R83P75-R79 PolarHBondContact O-N 3.15Å; L76-R79 PolarHBondContact O-N 2.91Å; L76-R79 VanDerWaalsContact O-N 3.16Å; R79-Q81 VanDerWaalsContact C-N 3.31Å; R79-M82 PolarHBondContact O-N 2.75Å; R79-R83 WeakPolarHBondContact O-CB 3.13Å; R79-R83 PolarHBondContact O-N 3.44Å
80D91.4Very high76.1Confident106 Ų106104.9 Ų104.957%0.56753%0.531SS*.Hα-helixtrans-64.9-38.7175.7-73.9-28.5000111.1L76 R83 A84L76-D80 PolarHBondContact O-N 3.02Å; D80-R83 PolarHBondContact O-N 2.85Å; D80-A84 WeakPolarHBondContact O-CB 3.39Å; D80-A84 PolarHBondContact O-N 2.96Å
81Q91.1Very high78.5Confident105 Ų105102.4 Ų102.449%0.49152%0.516SS..Hα-helixtrans-65.6-48.1173.6-172.559.956.300111.9Q77 N78 R79 R83 A84 N85Q77-Q81 VanDerWaalsContact O-CB 3.31Å; Q77-Q81 WeakPolarHBondContact O-CB 3.31Å; Q77-Q81 PolarHBondContact O-N 3.02Å; N78-Q81 PolarHBondContact O-N 3.18Å; R79-Q81 VanDerWaalsContact C-N 3.31Å; Q81-R83 VanDerWaalsContact C-N 3.25Å; Q81-R83 PolarHBondContact O-N 2.9Å; Q81-A84 WeakPolarHBondContact O-CB 3.29Å; Q81-A84 PolarHBondContact O-N 2.9Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; Q81-N85 PolarHBondContact NE2-OD1 2.73Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 3.17Å; Q81-N85 PolarHBondContact O-OD1 3.25Å
82M91.4Very high81Confident80 Ų8098.4 Ų98.439%0.39449%0.49SS..Hα-helixtrans-56.7-41.5175.3-71.3178.486.900111.5N46 N78 R79 N85 V86N46-M82 HydrophobicContact CB-CE 3.94Å; N46-M82 HydrophobicContact CB-CG 4.36Å; N46-M82 PolarHBondContact ND2-O 2.91Å; N78-M82 VanDerWaalsContact O-CG 3.27Å; N78-M82 WeakPolarHBondContact O-CG 3.5Å; N78-M82 PolarHBondContact O-N 2.85Å; R79-M82 PolarHBondContact O-N 2.75Å; M82-N85 PolarHBondContact O-N 3.02Å; M82-V86 WeakPolarHBondContact O-CG2 3.26Å; M82-V86 PolarHBondContact O-N 3.42Å; M82-V86 VanDerWaalsContact O-N 3.11Å
83R93.9Very high83.6Confident171 Ų17194.2 Ų94.265%0.64547%0.471SS*.Hα-helixtrans-64.6-43.5175.5-176.4177.8-179.9-116-1.9111.5R79 D80 Q81 N85 V86 I87R79-R83 WeakPolarHBondContact O-CB 3.13Å; R79-R83 PolarHBondContact O-N 3.44Å; D80-R83 PolarHBondContact O-N 2.85Å; Q81-R83 VanDerWaalsContact C-N 3.25Å; Q81-R83 PolarHBondContact O-N 2.9Å; R83-N85 VanDerWaalsContact C-N 3.3Å; R83-N85 PolarHBondContact O-N 2.65Å; R83-V86 PolarHBondContact O-N 3.07Å; R83-I87 HydrophobicContact CG-CD1 4.06Å; R83-I87 WeakPolarHBondContact O-CG1 3.28Å; R83-I87 PolarHBondContact O-N 2.83Å
84A94.4Very high86.1Confident35 Ų3597.1 Ų97.129%0.28947%0.474SS..Hα-helixtrans-61.3-39.7175.800000111.7D80 Q81 I87 N88D80-A84 WeakPolarHBondContact O-CB 3.39Å; D80-A84 PolarHBondContact O-N 2.96Å; Q81-A84 WeakPolarHBondContact O-CB 3.29Å; Q81-A84 PolarHBondContact O-N 2.9Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; A84-I87 PolarHBondContact O-N 2.87Å; A84-N88 WeakPolarHBondContact O-CB 3.38Å; A84-N88 VanDerWaalsContact O-CG 3.25Å; A84-N88 PolarHBondContact O-N 2.89Å; A84-N88 PolarHBondContact O-ND2 3.19Å
85N94.2Very high88.4Confident43 Ų4393.4 Ų93.423%0.2346%0.46CS..Hα-helixtrans-61.9-44.6176.5-66-10.2000111.6V45 N46 Q81 M82 R83 N88 E89V45-N85 HydrophobicContact CG1-CB 3.98Å; N46-N85 WeakPolarHBondContact OD1-CB 3.44Å; N46-N85 PolarHBondContact OD1-ND2 3.06Å; Q81-N85 PolarHBondContact NE2-OD1 2.73Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 3.17Å; Q81-N85 PolarHBondContact O-OD1 3.25Å; M82-N85 PolarHBondContact O-N 3.02Å; R83-N85 VanDerWaalsContact C-N 3.3Å; R83-N85 PolarHBondContact O-N 2.65Å; N85-N88 PolarHBondContact O-N 3.29Å; N85-E89 WeakPolarHBondContact O-CB 3.27Å; N85-E89 PolarHBondContact O-N 3.39Å
86V95.6Very high90.5Very high55 Ų5593.8 Ų93.833%0.33345%0.454SS..Hα-helixtrans-62.3-45.5175174.20000111.2V45 M82 R83 N88 E89 I90V45-V86 HydrophobicContact CB-CG2 4.02Å; V45-V86 HydrophobicContact CG1-CG2 4.07Å; V45-V86 HydrophobicContact CG2-CG2 4.45Å; M82-V86 WeakPolarHBondContact O-CG2 3.26Å; M82-V86 PolarHBondContact O-N 3.42Å; M82-V86 VanDerWaalsContact O-N 3.11Å; R83-V86 PolarHBondContact O-N 3.07Å; V86-N88 VanDerWaalsContact C-N 3.32Å; V86-N88 PolarHBondContact O-N 3.02Å; V86-E89 PolarHBondContact O-N 3.07Å; V86-I90 HydrophobicContact CG1-CD1 3.91Å; V86-I90 HydrophobicContact CG1-CG1 4.49Å; V86-I90 WeakPolarHBondContact O-CG1 3.35Å; V86-I90 PolarHBondContact O-N 2.73Å
87I96.6Very high92.9Very high74 Ų7493.4 Ų93.438%0.37945%0.445SS..Hα-helixtrans-59.9-44.5177.5-69.1167.1000110.7R83 A84 E89 I90 M91R83-I87 HydrophobicContact CG-CD1 4.06Å; R83-I87 WeakPolarHBondContact O-CG1 3.28Å; R83-I87 PolarHBondContact O-N 2.83Å; A84-I87 PolarHBondContact O-N 2.87Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 2.87Å; I87-I90 PolarHBondContact O-N 2.88Å; I87-M91 HydrophobicContact CG2-CG 4.24Å; I87-M91 WeakPolarHBondContact O-CB 3.41Å; I87-M91 VanDerWaalsContact O-CG 3.23Å; I87-M91 WeakPolarHBondContact O-CG 3.12Å; I87-M91 PolarHBondContact O-N 3.11Å
88N96.6Very high94.8Very high101 Ų10191.8 Ų91.854%0.5444%0.44SS..Hα-helixtrans-63.4-40.4179-75.3-31.2000112.1A84 N85 V86 S92A84-N88 WeakPolarHBondContact O-CB 3.38Å; A84-N88 VanDerWaalsContact O-CG 3.25Å; A84-N88 PolarHBondContact O-N 2.89Å; A84-N88 PolarHBondContact O-ND2 3.19Å; N85-N88 PolarHBondContact O-N 3.29Å; V86-N88 VanDerWaalsContact C-N 3.32Å; V86-N88 PolarHBondContact O-N 3.02Å; N88-S92 WeakPolarHBondContact O-CB 3.37Å; N88-S92 PolarHBondContact O-N 3.41Å
89E97.1Very high95.8Very high49 Ų4992.7 Ų92.723%0.22944%0.439CS..Hα-helixtrans-63.7-47.9176.7-170.4-83139.900111.1R42 V45 N85 V86 I87 M91 S92 T93R42-E89 IonicContact CZ-OE2 3.89Å; R42-E89 IonicContact NH2-OE1 3.97Å; R42-E89 PolarHBondContact NH2-OE1 2.85Å; R42-E89 IonicContact NH2-OE2 3.37Å; R42-E89 PolarHBondContact NH2-OE2 3.22Å; V45-E89 HydrophobicContact CG2-CB 4.15Å; V45-E89 HydrophobicContact CG2-CG 3.98Å; N85-E89 WeakPolarHBondContact O-CB 3.27Å; N85-E89 PolarHBondContact O-N 3.39Å; V86-E89 PolarHBondContact O-N 3.07Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 2.87Å; E89-M91 PolarHBondContact O-N 3.37Å; E89-S92 PolarHBondContact O-N 2.92Å; E89-T93 PolarHBondContact O-N 2.86Å; E89-T93 PolarHBondContact O-OG1 3.27Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.2Å; E89-T93 PolarHBondContact OE1-OG1 2.8Å
90I98.1Very high96.3Very high78 Ų7888.8 Ų88.840%0.443%0.429SS..Hα-helixtrans-56.6-53.4174.8-67.5166.5000110.4V86 I87 S92 T93 E94V86-I90 HydrophobicContact CG1-CD1 3.91Å; V86-I90 HydrophobicContact CG1-CG1 4.49Å; V86-I90 WeakPolarHBondContact O-CG1 3.35Å; V86-I90 PolarHBondContact O-N 2.73Å; I87-I90 PolarHBondContact O-N 2.88Å; I90-S92 PolarHBondContact O-N 3.34Å; I90-T93 PolarHBondContact O-N 3.24Å; I90-T93 PolarHBondContact O-OG1 3.11Å; I90-E94 HydrophobicContact CG2-CG 4.29Å; I90-E94 WeakPolarHBondContact O-CB 3.48Å; I90-E94 VanDerWaalsContact O-CG 3.29Å; I90-E94 WeakPolarHBondContact O-CG 3.41Å; I90-E94 PolarHBondContact O-N 3.35Å
91M98Very high96.7Very high103 Ų10384.7 Ų84.751%0.50741%0.407SS..Hα-helixtrans-62.2-34.8-177.8-69.7-62.3-66.100111.8I87 E89 R95I87-M91 HydrophobicContact CG2-CG 4.24Å; I87-M91 WeakPolarHBondContact O-CB 3.41Å; I87-M91 VanDerWaalsContact O-CG 3.23Å; I87-M91 WeakPolarHBondContact O-CG 3.12Å; I87-M91 PolarHBondContact O-N 3.11Å; E89-M91 PolarHBondContact O-N 3.37Å; M91-R95 VanDerWaalsContact O-CG 3.29Å; M91-R95 WeakPolarHBondContact O-CG 3.37Å; M91-R95 VanDerWaalsContact O-CZ 3.27Å; M91-R95 PolarHBondContact O-N 2.97Å; M91-R95 PolarHBondContact O-NH1 3.43Å; M91-R95 VanDerWaalsContact O-NH1 3.11Å
92S97.8Very high97Very high38 Ų3885 Ų8527%0.26641%0.406SS..Hα-helixtrans-69-51.8176.5-170.70000111.4N88 E89 I90 E94 R95 H96N88-S92 WeakPolarHBondContact O-CB 3.37Å; N88-S92 PolarHBondContact O-N 3.41Å; E89-S92 PolarHBondContact O-N 2.92Å; I90-S92 PolarHBondContact O-N 3.34Å; S92-E94 VanDerWaalsContact C-N 3.32Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-R95 PolarHBondContact O-N 3.33Å; S92-H96 PolarHBondContact O-N 2.88Å; S92-H96 PolarHBondContact O-ND1 3.44Å; S92-H96 PolarHBondContact OG-CE1 2.92Å; S92-H96 PolarHBondContact OG-ND1 3.32Å
93T97.9Very high97.4Very high56 Ų5684.3 Ų84.334%0.34440%0.404SS..Hα-helixtrans-64.5-37.6-177.847.20000111.9E89 I90 R95 H96 Y97E89-T93 PolarHBondContact O-N 2.86Å; E89-T93 PolarHBondContact O-OG1 3.27Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.2Å; E89-T93 PolarHBondContact OE1-OG1 2.8Å; I90-T93 PolarHBondContact O-N 3.24Å; I90-T93 PolarHBondContact O-OG1 3.11Å; T93-R95 PolarHBondContact O-N 3.04Å; T93-H96 PolarHBondContact O-N 3.49Å; T93-Y97 WeakPolarHBondContact O-CB 3.3Å; T93-Y97 PolarHBondContact O-N 2.92Å
94E98.4Very high97.6Very high98 Ų9879 Ų7946%0.45839%0.389SS..Hα-helixtrans-61.8-43.3173-72.5-56.4127.700112.2I90 S92 H96 Y97 I98I90-E94 HydrophobicContact CG2-CG 4.29Å; I90-E94 WeakPolarHBondContact O-CB 3.48Å; I90-E94 VanDerWaalsContact O-CG 3.29Å; I90-E94 WeakPolarHBondContact O-CG 3.41Å; I90-E94 PolarHBondContact O-N 3.35Å; S92-E94 VanDerWaalsContact C-N 3.32Å; S92-E94 PolarHBondContact O-N 2.9Å; E94-H96 VanDerWaalsContact C-N 3.32Å; E94-H96 PolarHBondContact O-N 3.48Å; E94-Y97 PolarHBondContact O-N 3.28Å; E94-I98 WeakPolarHBondContact O-CB 3.49Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.45Å; E94-I98 PolarHBondContact O-N 3.31Å
95R98.6Very high97.8Very high146 Ų14678.6 Ų78.655%0.55138%0.383SS*.Hα-helixtrans-60.7-41.7175-76.5-173.5-57.2-92.84.2112.2M91 S92 T93 K99M91-R95 VanDerWaalsContact O-CG 3.29Å; M91-R95 WeakPolarHBondContact O-CG 3.37Å; M91-R95 VanDerWaalsContact O-CZ 3.27Å; M91-R95 PolarHBondContact O-N 2.97Å; M91-R95 PolarHBondContact O-NH1 3.43Å; M91-R95 VanDerWaalsContact O-NH1 3.11Å; S92-R95 PolarHBondContact O-N 3.33Å; T93-R95 PolarHBondContact O-N 3.04Å; R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 PolarHBondContact O-N 3.4Å; R95-K99 VanDerWaalsContact O-N 3.08Å
96H98.4Very high97.9Very high100 Ų10081.5 Ų81.546%0.46340%0.395SS..Hα-helixtrans-67.6-43.6177.6-6999.8000111.3S92 T93 E94 K99 H100S92-H96 PolarHBondContact O-N 2.88Å; S92-H96 PolarHBondContact O-ND1 3.44Å; S92-H96 PolarHBondContact OG-CE1 2.92Å; S92-H96 PolarHBondContact OG-ND1 3.32Å; T93-H96 PolarHBondContact O-N 3.49Å; E94-H96 VanDerWaalsContact C-N 3.32Å; E94-H96 PolarHBondContact O-N 3.48Å; H96-K99 WeakPolarHBondContact O-CB 3.44Å; H96-K99 PolarHBondContact O-N 2.92Å; H96-H100 PolarHBondContact O-CD2 2.8Å; H96-H100 VanDerWaalsContact O-CG 3.31Å; H96-H100 PolarHBondContact O-N 2.73Å
97Y98.4Very high98Very high107 Ų10780.9 Ų80.942%0.4240%0.4SS..Hα-helixtrans-60.4-48.4177.9-178.7-108.3000111.8T93 E94 K99 H100 L101T93-Y97 WeakPolarHBondContact O-CB 3.3Å; T93-Y97 PolarHBondContact O-N 2.92Å; E94-Y97 PolarHBondContact O-N 3.28Å; Y97-K99 VanDerWaalsContact C-N 3.28Å; Y97-K99 PolarHBondContact O-N 2.93Å; Y97-H100 WeakPolarHBondContact O-CA 3.25Å; Y97-H100 WeakPolarHBondContact O-CB 3.42Å; Y97-H100 PolarHBondContact O-N 2.72Å; Y97-L101 HydrophobicContact CD1-CD1 4.08Å; Y97-L101 HydrophobicContact CD1-CG 4.44Å; Y97-L101 HydrophobicContact CE1-CD1 3.52Å; Y97-L101 HydrophobicContact CE1-CD2 4.48Å; Y97-L101 HydrophobicContact CE1-CG 4.04Å; Y97-L101 HydrophobicContact CE2-CD2 4.48Å; Y97-L101 PolarHBondContact O-N 2.9Å
98I98.4Very high98.1Very high105 Ų10584.9 Ų84.954%0.53841%0.412SS..Hα-helixtrans-58.9-41.1174.9-69168.3000111.1E94 H100 L101 K102E94-I98 WeakPolarHBondContact O-CB 3.49Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.45Å; E94-I98 PolarHBondContact O-N 3.31Å; I98-H100 VanDerWaalsContact C-N 3.33Å; I98-H100 PolarHBondContact O-N 3.48Å; I98-L101 PolarHBondContact O-N 3.22Å; I98-K102 WeakPolarHBondContact O-CB 3.23Å; I98-K102 PolarHBondContact O-N 2.98Å
99K98.4Very high98.1Very high110 Ų11080.3 Ų80.348%0.47839%0.387SS..Hα-helixtrans-61.2-43.2175.2-176-176.6176.9-63.80111.2R95 H96 Y97 K102 D103R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 PolarHBondContact O-N 3.4Å; R95-K99 VanDerWaalsContact O-N 3.08Å; H96-K99 WeakPolarHBondContact O-CB 3.44Å; H96-K99 PolarHBondContact O-N 2.92Å; Y97-K99 VanDerWaalsContact C-N 3.28Å; Y97-K99 PolarHBondContact O-N 2.93Å; K99-K102 PolarHBondContact O-N 3.41Å; K99-D103 IonicContact NZ-OD1 2.98Å; K99-D103 IonicContact NZ-OD2 2.78Å; K99-D103 PolarHBondContact NZ-OD2 3.49Å; K99-D103 WeakPolarHBondContact O-CB 3.29Å; K99-D103 PolarHBondContact O-N 3.37Å
100H98.6Very high98.1Very high104 Ų10483.8 Ų83.848%0.48140%0.401SS..Hα-helixtrans-62.4-44.2176.3-65-43.1000112.2H96 Y97 I98 K102 D103 I104H96-H100 PolarHBondContact O-CD2 2.8Å; H96-H100 VanDerWaalsContact O-CG 3.31Å; H96-H100 PolarHBondContact O-N 2.73Å; Y97-H100 WeakPolarHBondContact O-CA 3.25Å; Y97-H100 WeakPolarHBondContact O-CB 3.42Å; Y97-H100 PolarHBondContact O-N 2.72Å; I98-H100 VanDerWaalsContact C-N 3.33Å; I98-H100 PolarHBondContact O-N 3.48Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-K102 PolarHBondContact O-N 2.69Å; H100-D103 PolarHBondContact O-N 3.46Å; H100-I104 VanDerWaalsContact O-CG1 3.27Å; H100-I104 WeakPolarHBondContact O-CG1 3.32Å; H100-I104 PolarHBondContact O-N 3.42Å
101L98.6Very high98.1Very high20 Ų2084.3 Ų84.311%0.10540%0.402CS..Hα-helixtrans-57.9-46174.2-68.7-178.3000111.5Y97 I98 D103 I104 C105 I131 I134Y97-L101 HydrophobicContact CD1-CD1 4.08Å; Y97-L101 HydrophobicContact CD1-CG 4.44Å; Y97-L101 HydrophobicContact CE1-CD1 3.52Å; Y97-L101 HydrophobicContact CE1-CD2 4.48Å; Y97-L101 HydrophobicContact CE1-CG 4.04Å; Y97-L101 HydrophobicContact CE2-CD2 4.48Å; Y97-L101 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 3.22Å; L101-D103 PolarHBondContact O-N 3.18Å; L101-I104 PolarHBondContact O-N 3.08Å; L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 3.05Å; L101-C105 PolarHBondContact O-SG 2.92Å; L101-C105 VanDerWaalsContact O-SG 3.42Å; L101-I131 HydrophobicContact CD2-CD1 3.4Å; L101-I131 VanDerWaalsContact CD2-CD1 3.4Å; L101-I131 HydrophobicContact CD2-CG1 4.17Å; L101-I134 HydrophobicContact CD1-CG2 4.25Å
102K98.3Very high98.1Very high111 Ų11180.3 Ų80.348%0.48338%0.384SS..Hα-helixtrans-60-47.9176.7-174.3-179.2179.6-178.40111.9I98 K99 H100 I104 C105 E106I98-K102 WeakPolarHBondContact O-CB 3.23Å; I98-K102 PolarHBondContact O-N 2.98Å; K99-K102 PolarHBondContact O-N 3.41Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-K102 PolarHBondContact O-N 2.69Å; K102-I104 VanDerWaalsContact C-N 3.28Å; K102-I104 PolarHBondContact O-N 3.15Å; K102-C105 PolarHBondContact O-N 2.89Å; K102-E106 WeakPolarHBondContact CE-OE1 3Å; K102-E106 VanDerWaalsContact CE-OE2 3.23Å; K102-E106 WeakPolarHBondContact CE-OE2 3.29Å; K102-E106 HydrophobicContact CG-CG 4.17Å; K102-E106 IonicContact NZ-OE1 2.69Å; K102-E106 WeakPolarHBondContact O-CB 3.35Å; K102-E106 WeakPolarHBondContact O-CG 2.96Å; K102-E106 PolarHBondContact O-N 3.48Å
103D98.6Very high98.1Very high66 Ų6684 Ų8435%0.35339%0.392SS..Hα-helixtrans-61.9-37179.5-68.6-18.1000111K99 H100 L101 G107K99-D103 IonicContact NZ-OD1 2.98Å; K99-D103 IonicContact NZ-OD2 2.78Å; K99-D103 PolarHBondContact NZ-OD2 3.49Å; K99-D103 WeakPolarHBondContact O-CB 3.29Å; K99-D103 PolarHBondContact O-N 3.37Å; H100-D103 PolarHBondContact O-N 3.46Å; L101-D103 PolarHBondContact O-N 3.18Å; D103-G107 WeakPolarHBondContact O-CA 3.47Å; D103-G107 PolarHBondContact O-N 2.91Å
104I98.6Very high98Very high61 Ų6187.7 Ų87.731%0.31340%0.403SS..Iπ-helixtrans-65.3-51.3174.2-69.3165.1000111.1H100 L101 K102 Y108 L109 F128 I131H100-I104 VanDerWaalsContact O-CG1 3.27Å; H100-I104 WeakPolarHBondContact O-CG1 3.32Å; H100-I104 PolarHBondContact O-N 3.42Å; L101-I104 PolarHBondContact O-N 3.08Å; K102-I104 VanDerWaalsContact C-N 3.28Å; K102-I104 PolarHBondContact O-N 3.15Å; I104-Y108 WeakPolarHBondContact O-CA 3.38Å; I104-Y108 WeakPolarHBondContact O-CB 3.41Å; I104-Y108 PolarHBondContact O-N 3.29Å; I104-L109 PolarHBondContact O-N 3.24Å; I104-F128 HydrophobicContact CG2-CD1 4.21Å; I104-F128 HydrophobicContact CG2-CE1 4.2Å; I104-I131 HydrophobicContact CG2-CG1 4.23Å
105C98.3Very high98Very high26 Ų2688.8 Ų88.818%0.17640%0.403CS..Iπ-helixtrans-65.7-46.7-176.9-71.30000112.2L101 K102 K110L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 3.05Å; L101-C105 PolarHBondContact O-SG 2.92Å; L101-C105 VanDerWaalsContact O-SG 3.42Å; K102-C105 PolarHBondContact O-N 2.89Å; C105-K110 WeakPolarHBondContact O-CB 3.44Å; C105-K110 PolarHBondContact O-N 3.33Å
106E97.3Very high97.7Very high104 Ų10490.1 Ų90.149%0.48641%0.408SS..Iπ-helixtrans-80.3-40.9-176.9-65.5-174.9173.100112.9K102K102-E106 WeakPolarHBondContact CE-OE1 3Å; K102-E106 VanDerWaalsContact CE-OE2 3.23Å; K102-E106 WeakPolarHBondContact CE-OE2 3.29Å; K102-E106 HydrophobicContact CG-CG 4.17Å; K102-E106 IonicContact NZ-OE1 2.69Å; K102-E106 WeakPolarHBondContact O-CB 3.35Å; K102-E106 WeakPolarHBondContact O-CG 2.96Å; K102-E106 PolarHBondContact O-N 3.48Å
107G97.2Very high97.7Very high42 Ų4290.9 Ų90.943%0.43342%0.416SS..Iπ-helixtrans-81.4-38.4-17400000113.4D103 Q111D103-G107 WeakPolarHBondContact O-CA 3.47Å; D103-G107 PolarHBondContact O-N 2.91Å; G107-Q111 WeakPolarHBondContact O-CG 3.29Å
108Y98.3Very high97.6Very high158 Ų15890.7 Ų90.762%0.6242%0.42SS*.Iπ-helixtrans-109.6-65.8-175.8-65.2-86.9000111.8I104 K110 Q111 C112I104-Y108 WeakPolarHBondContact O-CA 3.38Å; I104-Y108 WeakPolarHBondContact O-CB 3.41Å; I104-Y108 PolarHBondContact O-N 3.29Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.18Å; Y108-Q111 PolarHBondContact O-N 2.87Å; Y108-C112 PolarHBondContact O-N 3.25Å; Y108-C112 PolarHBondContact O-SG 3.11Å; Y108-C112 VanDerWaalsContact O-SG 3.37Å
109L97.7Very high97.6Very high4 Ų488.5 Ų88.52%0.02141%0.407CS..Iπ-helixtrans-56.6-47-170.6176.660.6000112.2I104 Q111 C112 R113 F128 I131 E132I104-L109 PolarHBondContact O-N 3.24Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 3.22Å; L109-C112 PolarHBondContact O-N 2.84Å; L109-R113 HydrophobicContact CD1-CG 4.38Å; L109-R113 WeakPolarHBondContact O-CG 3.48Å; L109-R113 PolarHBondContact O-N 3.22Å; L109-F128 HydrophobicContact CB-CD1 4.27Å; L109-F128 HydrophobicContact CB-CE1 4.29Å; L109-F128 HydrophobicContact CB-CG 4.43Å; L109-F128 HydrophobicContact CB-CZ 4.46Å; L109-F128 HydrophobicContact CD1-CB 4.04Å; L109-F128 HydrophobicContact CD1-CD1 4.45Å; L109-F128 HydrophobicContact CD1-CD2 3.58Å; L109-F128 HydrophobicContact CD1-CE2 4.1Å; L109-F128 HydrophobicContact CD1-CG 3.78Å; L109-I131 HydrophobicContact CD2-CG2 4.09Å; L109-E132 HydrophobicContact CD2-CG 3.55Å
110K97.4Very high97.6Very high122 Ų12285.8 Ų85.853%0.5340%0.402SS..Hα-helixtrans-62-35178.3-170.6175-173.4173.40113C105 Y108 K114C105-K110 WeakPolarHBondContact O-CB 3.44Å; C105-K110 PolarHBondContact O-N 3.33Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.18Å; K110-K114 WeakPolarHBondContact O-CG 3.42Å
111Q97.8Very high97.5Very high90 Ų9085.7 Ų85.742%0.42141%0.405SS..Hα-helixtrans-76.5-41.2178.5-54.2-54.3-29.900111.1G107 Y108 L109 R113 K114 R115G107-Q111 WeakPolarHBondContact O-CG 3.29Å; Y108-Q111 PolarHBondContact O-N 2.87Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 3.22Å; Q111-R113 VanDerWaalsContact C-N 3.32Å; Q111-R113 PolarHBondContact O-N 3.32Å; Q111-K114 WeakPolarHBondContact O-CB 3.17Å; Q111-K114 PolarHBondContact O-N 3.11Å; Q111-K114 VanDerWaalsContact O-N 3.14Å; Q111-R115 PolarHBondContact O-N 3.37Å
112C97.7Very high97.4Very high18 Ų1891 Ų9112%0.12243%0.429CS..Hα-helixtrans-60.4-41.4175.2-64.80000111.5Y108 L109 K114 R115 F119 L124 F128Y108-C112 PolarHBondContact O-N 3.25Å; Y108-C112 PolarHBondContact O-SG 3.11Å; Y108-C112 VanDerWaalsContact O-SG 3.37Å; L109-C112 PolarHBondContact O-N 2.84Å; C112-K114 VanDerWaalsContact C-N 3.27Å; C112-K114 PolarHBondContact O-N 3.25Å; C112-R115 CarbonylContact O-C 3.52Å; C112-R115 PolarHBondContact O-N 2.97Å; C112-F119 HydrophobicContact CB-CD2 3.74Å; C112-F119 HydrophobicContact CB-CE2 4.02Å; C112-F119 HydrophobicContact CB-CG 4.04Å; C112-L124 HydrophobicContact CB-CD2 3.55Å; C112-F128 HydrophobicContact CB-CE2 4.45Å
113R96.7Very high97.4Very high116 Ų11690.3 Ų90.344%0.43843%0.428SS..Hα-helixtrans-59.5-31.5174.7-78.8175.2172.7163.90.9114.3L109 Q111 R115 L124 E132L109-R113 HydrophobicContact CD1-CG 4.38Å; L109-R113 WeakPolarHBondContact O-CG 3.48Å; L109-R113 PolarHBondContact O-N 3.22Å; Q111-R113 VanDerWaalsContact C-N 3.32Å; Q111-R113 PolarHBondContact O-N 3.32Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-L124 HydrophobicContact CG-CD1 3.73Å; R113-E132 IonicContact CZ-OE1 3.95Å; R113-E132 IonicContact CZ-OE2 2.73Å; R113-E132 IonicContact NH1-OE1 3.82Å; R113-E132 PolarHBondContact NH1-OE1 3.25Å; R113-E132 IonicContact NH1-OE2 3.97Å; R113-E132 PolarHBondContact NH1-OE2 2.83Å; R113-E132 IonicContact NH2-OE1 3.49Å; R113-E132 IonicContact NH2-OE2 2.72Å; R113-E132 PolarHBondContact NH2-OE2 3.35Å
114K97.2Very high97.4Very high133 Ų13387.8 Ų87.858%0.57841%0.414SS*.Hα-helixtrans-72.8-27.7176.5-68.4172.2-172.9169.90112.3K110 Q111 C112 R116K110-K114 WeakPolarHBondContact O-CG 3.42Å; Q111-K114 WeakPolarHBondContact O-CB 3.17Å; Q111-K114 PolarHBondContact O-N 3.11Å; Q111-K114 VanDerWaalsContact O-N 3.14Å; C112-K114 VanDerWaalsContact C-N 3.27Å; C112-K114 PolarHBondContact O-N 3.25Å; K114-R116 PolarHBondContact O-N 3.3Å
115R96.8Very high97.3Very high121 Ų12191.8 Ų91.846%0.45743%0.429SS..  trans-97.264.4-177.5-66.5-62.3-58.5-92.51.5111Q111 C112 R113 D117 M118 F119Q111-R115 PolarHBondContact O-N 3.37Å; C112-R115 CarbonylContact O-C 3.52Å; C112-R115 PolarHBondContact O-N 2.97Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R115-D117 VanDerWaalsContact C-OD1 3.22Å; R115-D117 VanDerWaalsContact CA-OD1 3.26Å; R115-D117 WeakPolarHBondContact CA-OD1 3.23Å; R115-D117 IonicContact CZ-OD1 3.91Å; R115-D117 IonicContact CZ-OD2 3.13Å; R115-D117 IonicContact NE-OD1 3.68Å; R115-D117 PolarHBondContact NE-OD1 3.42Å; R115-D117 IonicContact NE-OD2 3.11Å; R115-D117 PolarHBondContact NE-OD2 3.47Å; R115-D117 IonicContact NH2-OD1 2.9Å; R115-D117 IonicContact NH2-OD2 2.71Å; R115-D117 PolarHBondContact NH2-OD2 2.99Å; R115-D117 PolarHBondContact O-N 3.27Å; R115-D117 VanDerWaalsContact O-N 3.15Å; R115-M118 HydrophobicContact CB-CB 4.23Å; R115-M118 HydrophobicContact CB-CG 4.36Å; R115-M118 HydrophobicContact CB-SD 4.41Å; R115-M118 PolarHBondContact NH2-SD 3.13Å; R115-M118 PolarHBondContact O-N 2.79Å; R115-F119 HydrophobicContact CB-CD2 4.32Å; R115-F119 PolarHBondContact O-N 3.11Å
116R94.3Very high97.3Very high174 Ų17496 Ų9666%0.65745%0.453SS*.THydrogen-bonded Turntrans-62.2-17.6177.7-71.2-167.3146.1-155.9-18113.8K114 M118 D121K114-R116 PolarHBondContact O-N 3.3Å; R116-M118 VanDerWaalsContact C-N 3.31Å; R116-D121 IonicContact NH2-OD1 3.21Å; R116-D121 PolarHBondContact NH2-OD1 3.34Å; R116-D121 VanDerWaalsContact NH2-OD1 3.13Å; R116-D121 IonicContact NH2-OD2 3.77Å; R116-D121 PolarHBondContact NH2-OD2 2.87Å; R116-D121 VanDerWaalsContact NH2-OD2 3.11Å
117D97.1Very high97.3Very high116 Ų11696 Ų9662%0.6246%0.456SS*.THydrogen-bonded Turntrans-71.5-24.3171.161.1-53.2000113.2R115R115-D117 VanDerWaalsContact C-OD1 3.22Å; R115-D117 VanDerWaalsContact CA-OD1 3.26Å; R115-D117 WeakPolarHBondContact CA-OD1 3.23Å; R115-D117 IonicContact CZ-OD1 3.91Å; R115-D117 IonicContact CZ-OD2 3.13Å; R115-D117 IonicContact NE-OD1 3.68Å; R115-D117 PolarHBondContact NE-OD1 3.42Å; R115-D117 IonicContact NE-OD2 3.11Å; R115-D117 PolarHBondContact NE-OD2 3.47Å; R115-D117 IonicContact NH2-OD1 2.9Å; R115-D117 IonicContact NH2-OD2 2.71Å; R115-D117 PolarHBondContact NH2-OD2 2.99Å; R115-D117 PolarHBondContact O-N 3.27Å; R115-D117 VanDerWaalsContact O-N 3.15Å
118M97.3Very high97.4Very high104 Ų10495.7 Ų95.751%0.51244%0.442SS..THydrogen-bonded Turntrans-108.2-33.5-177.6-63.2-174.776.600113.1R115 R116R115-M118 HydrophobicContact CB-CB 4.23Å; R115-M118 HydrophobicContact CB-CG 4.36Å; R115-M118 HydrophobicContact CB-SD 4.41Å; R115-M118 PolarHBondContact NH2-SD 3.13Å; R115-M118 PolarHBondContact O-N 2.79Å; R116-M118 VanDerWaalsContact C-N 3.31Å
119F97.9Very high97.3Very high58 Ų5890.6 Ų90.625%0.25444%0.438SS..  trans-126.3118.2-175.4-58.2-81.5000110.8C112 R115 L124C112-F119 HydrophobicContact CB-CD2 3.74Å; C112-F119 HydrophobicContact CB-CE2 4.02Å; C112-F119 HydrophobicContact CB-CG 4.04Å; R115-F119 HydrophobicContact CB-CD2 4.32Å; R115-F119 PolarHBondContact O-N 3.11Å; F119-L124 HydrophobicContact CB-CD2 3.84Å; F119-L124 HydrophobicContact CB-CG 4.09Å; F119-L124 HydrophobicContact CG-CD2 4.27Å
120S97.4Very high97.3Very high54 Ų5495.1 Ų95.138%0.37846%0.462SS..  trans-77.1158168.863.30000111.6E122 Q123 L124S120-E122 PolarHBondContact O-N 3.19Å; S120-Q123 PolarHBondContact O-N 2.88Å; S120-Q123 VanDerWaalsContact O-N 3.17Å; S120-Q123 WeakPolarHBondContact OG-CG 3.27Å; S120-Q123 PolarHBondContact OG-N 2.76Å; S120-Q123 PolarHBondContact OG-OE1 2.95Å; S120-L124 WeakPolarHBondContact O-CG 3.4Å; S120-L124 PolarHBondContact O-N 3.43Å
121D96.7Very high97.3Very high101 Ų10190.6 Ų90.654%0.5444%0.444SS..Hα-helixtrans-60.4-32.7179-64.4-32.9000111.8R116 L124 K125R116-D121 IonicContact NH2-OD1 3.21Å; R116-D121 PolarHBondContact NH2-OD1 3.34Å; R116-D121 VanDerWaalsContact NH2-OD1 3.13Å; R116-D121 IonicContact NH2-OD2 3.77Å; R116-D121 PolarHBondContact NH2-OD2 2.87Å; R116-D121 VanDerWaalsContact NH2-OD2 3.11Å; D121-L124 PolarHBondContact O-N 2.91Å; D121-K125 PolarHBondContact O-N 3.43Å
122E97.5Very high97.3Very high133 Ų13391.3 Ų91.362%0.62145%0.447SS*.Hα-helixtrans-66.8-44.5175.3-170.367.3-164.400111.9S120 L124 K125 V126S120-E122 PolarHBondContact O-N 3.19Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.31Å; E122-K125 PolarHBondContact O-N 3.46Å; E122-V126 WeakPolarHBondContact O-CG2 3.4Å; E122-V126 PolarHBondContact O-N 3.31Å
123Q97.8Very high97.2Very high96 Ų9697 Ų9745%0.44948%0.476SS..Hα-helixtrans-63.4-40176.6-73.4166.1-51.500111.5S120 K125 V126 I127S120-Q123 PolarHBondContact O-N 2.88Å; S120-Q123 VanDerWaalsContact O-N 3.17Å; S120-Q123 WeakPolarHBondContact OG-CG 3.27Å; S120-Q123 PolarHBondContact OG-N 2.76Å; S120-Q123 PolarHBondContact OG-OE1 2.95Å; Q123-K125 VanDerWaalsContact C-N 3.31Å; Q123-K125 PolarHBondContact O-N 3.09Å; Q123-V126 PolarHBondContact O-N 2.85Å; Q123-I127 WeakPolarHBondContact O-CB 3.1Å; Q123-I127 VanDerWaalsContact O-CG1 3.25Å; Q123-I127 WeakPolarHBondContact O-CG1 3.4Å; Q123-I127 PolarHBondContact O-N 2.91Å
124L97.8Very high97.1Very high12 Ų1297.3 Ų97.36%0.06349%0.485CS..Hα-helixtrans-61.9-42176-66.8176.5000111.3C112 R113 F119 S120 D121 E122 I127 F128C112-L124 HydrophobicContact CB-CD2 3.55Å; R113-L124 HydrophobicContact CG-CD1 3.73Å; F119-L124 HydrophobicContact CB-CD2 3.84Å; F119-L124 HydrophobicContact CB-CG 4.09Å; F119-L124 HydrophobicContact CG-CD2 4.27Å; S120-L124 WeakPolarHBondContact O-CG 3.4Å; S120-L124 PolarHBondContact O-N 3.43Å; D121-L124 PolarHBondContact O-N 2.91Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.31Å; L124-I127 PolarHBondContact O-N 3.31Å; L124-F128 HydrophobicContact CD2-CD2 4.16Å; L124-F128 HydrophobicContact CD2-CE2 4.02Å; L124-F128 WeakPolarHBondContact O-CB 3.32Å; L124-F128 PolarHBondContact O-N 2.87Å
125K97.5Very high97.1Very high146 Ų14695.5 Ų95.564%0.63548%0.48SS*.Hα-helixtrans-64.5-39.1176-174174.2-179.2175.90112.5D121 E122 Q123 G129D121-K125 PolarHBondContact O-N 3.43Å; E122-K125 PolarHBondContact O-N 3.46Å; Q123-K125 VanDerWaalsContact C-N 3.31Å; Q123-K125 PolarHBondContact O-N 3.09Å; K125-G129 WeakPolarHBondContact O-CA 3.31Å; K125-G129 PolarHBondContact O-N 3.45Å
126V97.9Very high97.2Very high113 Ų11394.2 Ų94.269%0.68548%0.482SS*.Hα-helixtrans-67.6-43.21771710000111.8E122 Q123E122-V126 WeakPolarHBondContact O-CG2 3.4Å; E122-V126 PolarHBondContact O-N 3.31Å; Q123-V126 PolarHBondContact O-N 2.85Å
127I97.8Very high97.3Very high104 Ų10489.7 Ų89.753%0.53347%0.472SS..Hα-helixtrans-76.2-45.2-175.3-65165.3000111.5Q123 L124Q123-I127 WeakPolarHBondContact O-CB 3.1Å; Q123-I127 VanDerWaalsContact O-CG1 3.25Å; Q123-I127 WeakPolarHBondContact O-CG1 3.4Å; Q123-I127 PolarHBondContact O-N 2.91Å; L124-I127 PolarHBondContact O-N 3.31Å
128F98.1Very high97.3Very high36 Ų3688.2 Ų88.216%0.15846%0.463CS..Hα-helixtrans-106.5-14.8-170.2-63.2-77.2000113.7I104 L109 C112 L124 N130 I131I104-F128 HydrophobicContact CG2-CD1 4.21Å; I104-F128 HydrophobicContact CG2-CE1 4.2Å; L109-F128 HydrophobicContact CB-CD1 4.27Å; L109-F128 HydrophobicContact CB-CE1 4.29Å; L109-F128 HydrophobicContact CB-CG 4.43Å; L109-F128 HydrophobicContact CB-CZ 4.46Å; L109-F128 HydrophobicContact CD1-CB 4.04Å; L109-F128 HydrophobicContact CD1-CD1 4.45Å; L109-F128 HydrophobicContact CD1-CD2 3.58Å; L109-F128 HydrophobicContact CD1-CE2 4.1Å; L109-F128 HydrophobicContact CD1-CG 3.78Å; C112-F128 HydrophobicContact CB-CE2 4.45Å; L124-F128 HydrophobicContact CD2-CD2 4.16Å; L124-F128 HydrophobicContact CD2-CE2 4.02Å; L124-F128 WeakPolarHBondContact O-CB 3.32Å; L124-F128 PolarHBondContact O-N 2.87Å; F128-N130 PolarHBondContact O-N 3.38Å; F128-I131 HydrophobicContact CB-CG2 3.86Å; F128-I131 HydrophobicContact CD1-CG2 4.44Å; F128-I131 WeakPolarHBondContact O-CB 3.32Å; F128-I131 VanDerWaalsContact O-CG2 3.28Å; F128-I131 WeakPolarHBondContact O-CG2 3.44Å; F128-I131 PolarHBondContact O-N 3.16Å
129G97.6Very high97.3Very high51 Ų5187.2 Ų87.253%0.52646%0.46SS..THydrogen-bonded Turntrans53.9-129.3177.500000112.9K125K125-G129 WeakPolarHBondContact O-CA 3.31Å; K125-G129 PolarHBondContact O-N 3.45Å
130N97.5Very high97.3Very high99 Ų9989.1 Ų89.153%0.52947%0.474SS..THydrogen-bonded Turntrans-100.827.5177.169.3-51.5000112.8F128 E132 D133 I134F128-N130 PolarHBondContact O-N 3.38Å; N130-E132 PolarHBondContact O-N 2.99Å; N130-D133 HydrophobicContact CB-CB 4.42Å; N130-D133 WeakPolarHBondContact O-CB 3.47Å; N130-D133 PolarHBondContact O-N 3.31Å; N130-I134 PolarHBondContact O-N 3Å
131I97.8Very high97.3Very high28 Ų2891.6 Ų91.614%0.14448%0.481CS..THydrogen-bonded Turntrans-57-22.9-173.6-164.960.5000114.7L101 I104 L109 F128 D133 I134L101-I131 HydrophobicContact CD2-CD1 3.4Å; L101-I131 VanDerWaalsContact CD2-CD1 3.4Å; L101-I131 HydrophobicContact CD2-CG1 4.17Å; I104-I131 HydrophobicContact CG2-CG1 4.23Å; L109-I131 HydrophobicContact CD2-CG2 4.09Å; F128-I131 HydrophobicContact CB-CG2 3.86Å; F128-I131 HydrophobicContact CD1-CG2 4.44Å; F128-I131 WeakPolarHBondContact O-CB 3.32Å; F128-I131 VanDerWaalsContact O-CG2 3.28Å; F128-I131 WeakPolarHBondContact O-CG2 3.44Å; F128-I131 PolarHBondContact O-N 3.16Å; I131-D133 VanDerWaalsContact C-N 3.32Å; I131-I134 HydrophobicContact CD1-CD1 3.92Å
132E96.1Very high97.3Very high105 Ų10590.9 Ų90.949%0.49148%0.476SS..THydrogen-bonded Turntrans-77.2-18.3174.8-71.7-176.5132.500113.6L109 R113 N130L109-E132 HydrophobicContact CD2-CG 3.55Å; R113-E132 IonicContact CZ-OE1 3.95Å; R113-E132 IonicContact CZ-OE2 2.73Å; R113-E132 IonicContact NH1-OE1 3.82Å; R113-E132 PolarHBondContact NH1-OE1 3.25Å; R113-E132 IonicContact NH1-OE2 3.97Å; R113-E132 PolarHBondContact NH1-OE2 2.83Å; R113-E132 IonicContact NH2-OE1 3.49Å; R113-E132 IonicContact NH2-OE2 2.72Å; R113-E132 PolarHBondContact NH2-OE2 3.35Å; N130-E132 PolarHBondContact O-N 2.99Å
133D97.3Very high97.3Very high138 Ų13887.4 Ų87.474%0.73846%0.464SS*.THydrogen-bonded Turntrans-98.5-8.4-179.1-57.3-41000112.9N130 I131N130-D133 HydrophobicContact CB-CB 4.42Å; N130-D133 WeakPolarHBondContact O-CB 3.47Å; N130-D133 PolarHBondContact O-N 3.31Å; I131-D133 VanDerWaalsContact C-N 3.32Å
134I94.6Very high97.3Very high121 Ų12186.6 Ų86.662%0.62147%0.466SS*.  trans-76.80176.9-60-175.8000109.7L101 N130 I131L101-I134 HydrophobicContact CD1-CG2 4.25Å; N130-I134 PolarHBondContact O-N 3Å; I131-I134 HydrophobicContact CD1-CD1 3.92Å

Retrieved 134 of 134 residues in 33.4 ms (Link to these results)

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