A0A087XBF6_POEFO Loading...

Family with sequence similarity 167 member B

AlphaFold DB , UniProt , Accession A0A087XBF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1M35.5Very low39.4Very low228 Ų228153 Ų153100%1.12385%0.846SS**  094.30-71.9-70.4-158.100105.6F3M1-F3 PolarHBondContact O-N 2.71Å
2D33.8Very low39.5Very low166 Ų166156.3 Ų156.389%0.88885%0.851SS**  trans-69.5111.9-177.1-61.4-53.9000109.1K4D2-K4 VanDerWaalsContact C-N 3.31Å; D2-K4 PolarHBondContact O-N 3.17Å
3F38.6Very low39.7Very low208 Ų208149.1 Ų149.191%0.91284%0.835SS**  trans-70.692.8172.4-111.8-95.3000107.7M1 E5M1-F3 PolarHBondContact O-N 2.71Å; F3-E5 PolarHBondContact O-N 3.21Å; F3-E5 VanDerWaalsContact O-N 3.13Å
4K43Very low40.5Very low179 Ų179149.1 Ų149.178%0.77883%0.832SS**  trans-62112.6173.4-164.9164.4-174.8172.80107.9D2 L6D2-K4 VanDerWaalsContact C-N 3.31Å; D2-K4 PolarHBondContact O-N 3.17Å; K4-L6 VanDerWaalsContact C-N 3.29Å; K4-L6 PolarHBondContact O-N 2.95Å
5E43.3Very low41.2Very low184 Ų184144.4 Ų144.486%0.8681%0.809SS**  trans-51.391.7168.6-86.7175.9142.800109.9F3 G7F3-E5 PolarHBondContact O-N 3.21Å; F3-E5 VanDerWaalsContact O-N 3.13Å; E5-G7 PolarHBondContact O-N 2.63Å; E5-G7 VanDerWaalsContact O-N 3.13Å
6L41.3Very low42.6Very low175 Ų175140.6 Ų140.692%0.91678%0.783SS**THydrogen-bonded Turntrans-82.773.8165.7-78.7159.3000107.4K4K4-L6 VanDerWaalsContact C-N 3.29Å; K4-L6 PolarHBondContact O-N 2.95Å
7G41.2Very low44.8Very low66 Ų66136.5 Ų136.568%0.6876%0.759SS**THydrogen-bonded Turntrans-152.8-0.2175.500000114.6E5 D9E5-G7 PolarHBondContact O-N 2.63Å; E5-G7 VanDerWaalsContact O-N 3.13Å; G7-D9 PolarHBondContact O-N 3.26Å
8A41.2Very low47Very low89 Ų89130 Ų13074%0.73672%0.722SS**THydrogen-bonded Turntrans-87.64.9-173.500000115
9D37.1Very low49.1Very low162 Ų162127.1 Ų127.187%0.86671%0.705SS**THydrogen-bonded Turntrans-133.248.9178.9-83.3-35.3000111.8G7 S11G7-D9 PolarHBondContact O-N 3.26Å; D9-S11 PolarHBondContact O-N 3Å
10C34.9Very low51.1Low128 Ų128123.8 Ų123.887%0.86569%0.692SS**  trans-83.383.6147.2-89.10000105.9E12C10-E12 PolarHBondContact O-N 2.89Å
11S43.1Very low52.8Low98 Ų98120.3 Ų120.369%0.68567%0.673SS**  trans-17.7122.9162.5-179.40000110D9 G13D9-S11 PolarHBondContact O-N 3Å; S11-G13 WeakPolarHBondContact O-CA 3.35Å; S11-G13 PolarHBondContact O-N 2.83Å
12E41.2Very low55.3Low193 Ų193114.2 Ų114.290%0.90264%0.64SS**  trans-36.192159.4-104.3167.4153.100107.9C10 D14C10-E12 PolarHBondContact O-N 2.89Å; E12-D14 PolarHBondContact O-N 3.12Å
13G41.8Very low58Low62 Ų62109 Ų10964%0.63962%0.621SS**  trans-85.797.2-157.100000105.6S11 T15S11-G13 WeakPolarHBondContact O-CA 3.35Å; S11-G13 PolarHBondContact O-N 2.83Å; G13-T15 PolarHBondContact O-N 2.64Å
14D50.9Low60.4Low150 Ų150103 Ų10380%0.80260%0.598SS**  trans-1.697.7169.8-89.5-26.6000110.8E12 E16E12-D14 PolarHBondContact O-N 3.12Å; D14-E16 VanDerWaalsContact C-N 3.32Å; D14-E16 PolarHBondContact O-N 3.48Å
15T51.6Low62.7Low78 Ų7897.1 Ų97.148%0.47958%0.577SS.*  trans-49.7105.8170.654.90000105.6G13 D17 R120G13-T15 PolarHBondContact O-N 2.64Å; T15-D17 VanDerWaalsContact O-CA 3.23Å; T15-D17 WeakPolarHBondContact O-CA 2.94Å; T15-D17 PolarHBondContact O-N 3.18Å; T15-R120 HydrophobicContact CG2-CG 3.99Å
16E63.6Low64.9Low84 Ų8495.8 Ų95.839%0.39357%0.571SS.*  trans-37.2100.3-165.9-61.5168.1147.700108.3D14 L18 V21 I119 R122D14-E16 VanDerWaalsContact C-N 3.32Å; D14-E16 PolarHBondContact O-N 3.48Å; E16-L18 PolarHBondContact O-N 3.24Å; E16-V21 HydrophobicContact CB-CG2 4.13Å; E16-I119 HydrophobicContact CB-CG2 3.62Å; E16-I119 HydrophobicContact CG-CG2 4.46Å; E16-I119 VanDerWaalsContact O-CG2 3.25Å; E16-I119 WeakPolarHBondContact O-CG2 3.22Å; E16-R122 IonicContact OE1-NH1 3.82Å; E16-R122 PolarHBondContact OE1-NH1 3.34Å; E16-R122 IonicContact OE2-NH1 3.39Å; E16-R122 PolarHBondContact OE2-NH1 3.41Å
17D80.1Confident67.3Low71 Ų7195 Ų9538%0.3856%0.56SS.*  trans-65.9133.1-163.618029.8000106.6T15 D19 S20 V21 R116T15-D17 VanDerWaalsContact O-CA 3.23Å; T15-D17 WeakPolarHBondContact O-CA 2.94Å; T15-D17 PolarHBondContact O-N 3.18Å; D17-D19 PolarHBondContact O-N 3.12Å; D17-S20 PolarHBondContact N-OG 2.92Å; D17-S20 WeakPolarHBondContact O-CA 3.32Å; D17-S20 WeakPolarHBondContact O-CB 3.41Å; D17-S20 PolarHBondContact O-N 3.03Å; D17-S20 PolarHBondContact O-OG 3.06Å; D17-V21 PolarHBondContact O-N 3.35Å; D17-V21 VanDerWaalsContact O-N 3.12Å; D17-R116 IonicContact OD1-CZ 3.85Å; D17-R116 IonicContact OD1-NH1 2.81Å; D17-R116 PolarHBondContact OD1-NH1 2.86Å
18L84.3Confident69.8Low19 Ų1996.5 Ų96.510%0.09955%0.552CS.*Hα-helixtrans-51.9-32-172.1176.666.2000110.9E16 V21 K22 N112 A115 R116 I119E16-L18 PolarHBondContact O-N 3.24Å; L18-V21 PolarHBondContact O-N 2.94Å; L18-K22 WeakPolarHBondContact O-CG 3.47Å; L18-K22 PolarHBondContact O-N 2.92Å; L18-N112 WeakPolarHBondContact CD2-ND2 3.43Å; L18-A115 HydrophobicContact CD1-CB 3.96Å; L18-A115 HydrophobicContact CD2-CB 4.25Å; L18-R116 HydrophobicContact CB-CG 4.17Å; L18-R116 HydrophobicContact CD2-CG 4.22Å; L18-I119 HydrophobicContact CB-CD1 4.18Å; L18-I119 HydrophobicContact CD1-CD1 3.5Å; L18-I119 VanDerWaalsContact CD1-CD1 3.5Å; L18-I119 HydrophobicContact CG-CD1 4.44Å
19D86.5Confident72Confident75 Ų75100.7 Ų100.740%0.40155%0.553SS.*Hα-helixtrans-75.5-33.2179-58.7-39.1000112.8D17 K22 A23 R116D17-D19 PolarHBondContact O-N 3.12Å; D19-K22 PolarHBondContact O-N 2.69Å; D19-K22 IonicContact OD1-NZ 2.8Å; D19-K22 PolarHBondContact OD1-NZ 2.89Å; D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.43Å; D19-R116 IonicContact OD2-NH2 3.63Å
20S88.5Confident74.3Confident61 Ų6198 Ų9843%0.42754%0.538SS..Hα-helixtrans-63.1-40.1169780000112.1D17 A23 L24D17-S20 PolarHBondContact N-OG 2.92Å; D17-S20 WeakPolarHBondContact O-CA 3.32Å; D17-S20 WeakPolarHBondContact O-CB 3.41Å; D17-S20 PolarHBondContact O-N 3.03Å; D17-S20 PolarHBondContact O-OG 3.06Å; S20-A23 PolarHBondContact O-N 3.28Å; S20-L24 WeakPolarHBondContact O-CB 3.06Å; S20-L24 PolarHBondContact O-N 3.28Å
21V87.4Confident76.5Confident51 Ų5199 Ų9931%0.30953%0.53SS..Hα-helixtrans-66.8-42177.3177.50000110.6E16 D17 L18 L24 T25 I119E16-V21 HydrophobicContact CB-CG2 4.13Å; D17-V21 PolarHBondContact O-N 3.35Å; D17-V21 VanDerWaalsContact O-N 3.12Å; L18-V21 PolarHBondContact O-N 2.94Å; V21-L24 PolarHBondContact O-N 2.97Å; V21-T25 WeakPolarHBondContact O-CB 3.33Å; V21-T25 PolarHBondContact O-N 3.17Å; V21-T25 PolarHBondContact O-OG1 3.35Å; V21-I119 HydrophobicContact CG2-CD1 4.44Å
22K88.1Confident78.2Confident99 Ų9997 Ų9743%0.4351%0.514SS..Hα-helixtrans-60.5-49.3173.5-72.3171-168.7156.50111.5L18 D19 L24 T25 E26L18-K22 WeakPolarHBondContact O-CG 3.47Å; L18-K22 PolarHBondContact O-N 2.92Å; D19-K22 PolarHBondContact O-N 2.69Å; D19-K22 IonicContact OD1-NZ 2.8Å; D19-K22 PolarHBondContact OD1-NZ 2.89Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.49Å; K22-T25 WeakPolarHBondContact O-CB 3.38Å; K22-T25 PolarHBondContact O-N 2.89Å; K22-T25 VanDerWaalsContact O-N 3.16Å; K22-E26 PolarHBondContact O-N 2.9Å
23A90.4Very high80Confident57 Ų5799.1 Ų99.147%0.47151%0.513SS..Hα-helixtrans-60.6-40.7179.500000111.9D19 S20 E26 K27D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.43Å; S20-A23 PolarHBondContact O-N 3.28Å; A23-E26 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.81Å
24L89.5Confident82Confident82 Ų82105.1 Ų105.143%0.42952%0.517SS..Hα-helixtrans-65-43.8175.7-175.665.9000111.6S20 V21 K22 E26 K27 L28S20-L24 WeakPolarHBondContact O-CB 3.06Å; S20-L24 PolarHBondContact O-N 3.28Å; V21-L24 PolarHBondContact O-N 2.97Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.49Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 3.24Å; L24-K27 PolarHBondContact O-N 2.85Å; L24-L28 HydrophobicContact CD1-CD1 3.91Å; L24-L28 HydrophobicContact CD1-CG 4.17Å; L24-L28 HydrophobicContact CG-CD1 3.89Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.18Å
25T89.8Confident83.6Confident55 Ų55102.3 Ų102.334%0.33751%0.507SS..Hα-helixtrans-60.3-43178.5-570000111V21 K22 L28 K29 L30V21-T25 WeakPolarHBondContact O-CB 3.33Å; V21-T25 PolarHBondContact O-N 3.17Å; V21-T25 PolarHBondContact O-OG1 3.35Å; K22-T25 WeakPolarHBondContact O-CB 3.38Å; K22-T25 PolarHBondContact O-N 2.89Å; K22-T25 VanDerWaalsContact O-N 3.16Å; T25-L28 CarbonylContact O-C 3.59Å; T25-L28 PolarHBondContact O-N 3.43Å; T25-K29 PolarHBondContact O-N 3.44Å; T25-L30 HydrophobicContact CG2-CB 3.82Å; T25-L30 PolarHBondContact O-N 2.96Å
26E89.7Confident85.2Confident157 Ų157102.4 Ų102.473%0.73451%0.511SS*.Hα-helixtrans-65.2-48.8175.4-174.7178.1-177.100111.7K22 A23 L24 L28 K29K22-E26 PolarHBondContact O-N 2.9Å; A23-E26 PolarHBondContact O-N 3.4Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 3.24Å; E26-L28 PolarHBondContact O-N 3Å; E26-K29 PolarHBondContact O-N 3.03Å
27K93.5Very high86.2Confident159 Ų159103.3 Ų103.369%0.69151%0.511SS*.Hα-helixtrans-56.3-38.8177.2-173.1178.271.9-177.20112A23 L24 K29A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.31Å; A23-K27 PolarHBondContact O-N 2.81Å; L24-K27 PolarHBondContact O-N 2.85Å; K27-K29 VanDerWaalsContact C-N 3.34Å
28L92.3Very high86.5Confident97 Ų97103.8 Ų103.851%0.50851%0.513SS..THydrogen-bonded Turntrans-87.4-0.6179.6-64.5179.6000113.5L24 T25 E26 L30L24-L28 HydrophobicContact CD1-CD1 3.91Å; L24-L28 HydrophobicContact CD1-CG 4.17Å; L24-L28 HydrophobicContact CG-CD1 3.89Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.18Å; T25-L28 CarbonylContact O-C 3.59Å; T25-L28 PolarHBondContact O-N 3.43Å; E26-L28 PolarHBondContact O-N 3Å; L28-L30 HydrophobicContact CB-CD1 4.11Å; L28-L30 HydrophobicContact CB-CD2 4.22Å; L28-L30 HydrophobicContact CB-CG 3.71Å; L28-L30 HydrophobicContact CD1-CD1 4.19Å; L28-L30 PolarHBondContact O-N 2.75Å
29K87.2Confident86.8Confident177 Ų177107.4 Ų107.477%0.7753%0.53SS*.THydrogen-bonded Turntrans49.937.9-177.6-61.4-179.9177.8179.20112.9T25 E26 K27 Q31T25-K29 PolarHBondContact O-N 3.44Å; E26-K29 PolarHBondContact O-N 3.03Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.99Å
30L86.1Confident86.8Confident104 Ų104110.2 Ų110.255%0.54554%0.535SS..  trans-72.9114.5-178-63.3177000109.3T25 L28T25-L30 HydrophobicContact CG2-CB 3.82Å; T25-L30 PolarHBondContact O-N 2.96Å; L28-L30 HydrophobicContact CB-CD1 4.11Å; L28-L30 HydrophobicContact CB-CD2 4.22Å; L28-L30 HydrophobicContact CB-CG 3.71Å; L28-L30 HydrophobicContact CD1-CD1 4.19Å; L28-L30 PolarHBondContact O-N 2.75Å
31Q81.3Confident86.6Confident149 Ų149110.4 Ų110.470%0.69653%0.529SS*.  trans-76.5143.5170.4-64.2-63.4-3400109.9K29 R33K29-Q31 PolarHBondContact O-N 2.99Å; Q31-R33 PolarHBondContact O-N 3.27Å
32T77.9Confident86.6Confident56 Ų56114.3 Ų114.334%0.34454%0.544SS..  trans-65.1123.3169.3141.20000108.7R34 Y37T32-R34 PolarHBondContact OG1-N 2.93Å; T32-Y37 HydrophobicContact CG2-CD1 3.39Å; T32-Y37 HydrophobicContact CG2-CE1 3.38Å; T32-Y37 HydrophobicContact CG2-CG 4.21Å
33R79Confident86.6Confident238 Ų238117.6 Ų117.690%0.89855%0.553SS**  trans-91.66.8179.2-65.9-171.7173.9-166.1-1.6113.4Q31 P35Q31-R33 PolarHBondContact O-N 3.27Å; R33-P35 VanDerWaalsContact O-CD 3.32Å; R33-P35 WeakPolarHBondContact O-CD 3.38Å
34R84.5Confident86.2Confident189 Ų189117.8 Ų117.871%0.71355%0.546SS*.  trans-77.2118.1-178.6-86.8-173.8168.3-168.9-2.7109.9T32 S36 Y37 L38T32-R34 PolarHBondContact OG1-N 2.93Å; R34-S36 VanDerWaalsContact C-N 3.29Å; R34-S36 PolarHBondContact O-N 3.34Å; R34-Y37 PolarHBondContact O-N 3.5Å; R34-Y37 VanDerWaalsContact O-N 3.11Å; R34-L38 PolarHBondContact O-N 3.03Å
35P83.9Confident85.9Confident90 Ų90120.6 Ų120.658%0.58456%0.557SS**Hα-helixtrans-56.3-41.6-178.7-26.235.1000113.1R33 Y37 L38 E39R33-P35 VanDerWaalsContact O-CD 3.32Å; R33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-Y37 VanDerWaalsContact C-N 3.29Å; P35-Y37 PolarHBondContact O-N 2.95Å; P35-L38 PolarHBondContact O-N 3Å; P35-E39 WeakPolarHBondContact O-CG 3.4Å; P35-E39 PolarHBondContact O-N 3.45Å
36S86.8Confident85.4Confident81 Ų81122.1 Ų122.157%0.56657%0.57SS**Hα-helixtrans-61.4-33.9179.156.30000114.1R34 W40R34-S36 VanDerWaalsContact C-N 3.29Å; R34-S36 PolarHBondContact O-N 3.34Å; S36-W40 WeakPolarHBondContact O-CB 3.38Å; S36-W40 PolarHBondContact O-N 2.97Å; S36-W40 VanDerWaalsContact O-N 3.09Å
37Y83.9Confident84.7Confident102 Ų102122.1 Ų122.140%0.456%0.563SS.*Hα-helixtrans-72.5-41.3177.2-178.9-89.8000111.1T32 R34 P35 W40 Q41T32-Y37 HydrophobicContact CG2-CD1 3.39Å; T32-Y37 HydrophobicContact CG2-CE1 3.38Å; T32-Y37 HydrophobicContact CG2-CG 4.21Å; R34-Y37 PolarHBondContact O-N 3.5Å; R34-Y37 VanDerWaalsContact O-N 3.11Å; P35-Y37 VanDerWaalsContact C-N 3.29Å; P35-Y37 PolarHBondContact O-N 2.95Å; Y37-W40 HydrophobicContact CD2-CE3 4.27Å; Y37-W40 HydrophobicContact CD2-CZ3 4.48Å; Y37-W40 HydrophobicContact CE2-CE3 4.07Å; Y37-W40 AromaticContact CE2-CZ3 3.83Å; Y37-W40 HydrophobicContact CE2-CZ3 3.83Å; Y37-W40 PolarHBondContact O-N 3.46Å; Y37-Q41 WeakPolarHBondContact O-CB 3.22Å; Y37-Q41 PolarHBondContact O-N 2.96Å
38L86.3Confident83.3Confident82 Ų82119.3 Ų119.343%0.42956%0.562SS.*Hα-helixtrans-65.2-43.3177.4-64.4174.7000111.3R34 P35 W40 Q41 E42R34-L38 PolarHBondContact O-N 3.03Å; P35-L38 PolarHBondContact O-N 3Å; L38-W40 PolarHBondContact O-N 2.99Å; L38-Q41 PolarHBondContact O-N 3.15Å; L38-E42 WeakPolarHBondContact O-CB 3.4Å; L38-E42 PolarHBondContact O-N 3.37Å
39E90.1Very high82Confident95 Ų95121.9 Ų121.944%0.44457%0.565SS.*Hα-helixtrans-60.6-43.3174-73.7176.7-154.800112.1P35 E42 R43P35-E39 WeakPolarHBondContact O-CG 3.4Å; P35-E39 PolarHBondContact O-N 3.45Å; E39-E42 PolarHBondContact O-N 3.4Å; E39-R43 WeakPolarHBondContact O-CB 3.33Å; E39-R43 VanDerWaalsContact O-CG 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 3.24Å; E39-R43 IonicContact OE2-NH2 3.58Å
40W87.4Confident80.5Confident134 Ų134120.3 Ų120.351%0.50856%0.562SS.*Hα-helixtrans-63.3-42.5175.816984.7000111.9S36 Y37 L38 R43 L44S36-W40 WeakPolarHBondContact O-CB 3.38Å; S36-W40 PolarHBondContact O-N 2.97Å; S36-W40 VanDerWaalsContact O-N 3.09Å; Y37-W40 HydrophobicContact CD2-CE3 4.27Å; Y37-W40 HydrophobicContact CD2-CZ3 4.48Å; Y37-W40 HydrophobicContact CE2-CE3 4.07Å; Y37-W40 AromaticContact CE2-CZ3 3.83Å; Y37-W40 HydrophobicContact CE2-CZ3 3.83Å; Y37-W40 PolarHBondContact O-N 3.46Å; L38-W40 PolarHBondContact O-N 2.99Å; W40-R43 PolarHBondContact O-N 3Å; W40-L44 HydrophobicContact CD2-CD1 4Å; W40-L44 HydrophobicContact CD2-CG 4.46Å; W40-L44 VanDerWaalsContact CE2-CD1 3.47Å; W40-L44 HydrophobicContact CE3-CD1 4.16Å; W40-L44 HydrophobicContact CH2-CD1 3.4Å; W40-L44 HydrophobicContact CZ2-CD1 3.19Å; W40-L44 HydrophobicContact CZ2-CG 4.2Å; W40-L44 HydrophobicContact CZ3-CD1 3.88Å; W40-L44 PolarHBondContact O-N 3.38Å
41Q84.4Confident78.9Confident65 Ų65122.4 Ų122.430%0.30457%0.573SS.*Hα-helixtrans-62.6-43.9177.5-177.3179.1-24.900111.2Y37 L38 L44 Q45Y37-Q41 WeakPolarHBondContact O-CB 3.22Å; Y37-Q41 PolarHBondContact O-N 2.96Å; L38-Q41 PolarHBondContact O-N 3.15Å; Q41-L44 PolarHBondContact O-N 3.4Å; Q41-Q45 WeakPolarHBondContact O-CG 3.49Å; Q41-Q45 PolarHBondContact O-N 3.46Å
42E86.9Confident77.5Confident133 Ų133126.2 Ų126.262%0.62158%0.581SS**Hα-helixtrans-61.9-42.3174.6-175.2-179.7-156.600111.6L38 E39 L44 Q45 S46L38-E42 WeakPolarHBondContact O-CB 3.4Å; L38-E42 PolarHBondContact O-N 3.37Å; E39-E42 PolarHBondContact O-N 3.4Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.37Å; E42-Q45 PolarHBondContact O-N 2.9Å; E42-S46 VanDerWaalsContact O-CB 3.27Å; E42-S46 WeakPolarHBondContact O-CB 3.37Å; E42-S46 PolarHBondContact O-N 2.91Å; E42-S46 PolarHBondContact O-OG 3.44Å
43R87.1Confident76.2Confident167 Ų167127.1 Ų127.163%0.6359%0.59SS**Hα-helixtrans-62.6-35175.2-73.7173.2-169.6-165.77.8113.1E39 W40 S46 R47E39-R43 WeakPolarHBondContact O-CB 3.33Å; E39-R43 VanDerWaalsContact O-CG 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 3.24Å; E39-R43 IonicContact OE2-NH2 3.58Å; W40-R43 PolarHBondContact O-N 3Å; R43-S46 VanDerWaalsContact CA-OG 3.31Å; R43-S46 WeakPolarHBondContact CA-OG 3.28Å; R43-S46 PolarHBondContact O-OG 2.99Å; R43-R47 WeakPolarHBondContact O-CB 3.43Å
44L83.4Confident74.8Confident61 Ų61122 Ų12232%0.31959%0.588SS.*Hα-helixtrans-69-43.8174.4-79.4-179.3000111.8W40 Q41 E42 W49W40-L44 HydrophobicContact CD2-CD1 4Å; W40-L44 HydrophobicContact CD2-CG 4.46Å; W40-L44 VanDerWaalsContact CE2-CD1 3.47Å; W40-L44 HydrophobicContact CE3-CD1 4.16Å; W40-L44 HydrophobicContact CH2-CD1 3.4Å; W40-L44 HydrophobicContact CZ2-CD1 3.19Å; W40-L44 HydrophobicContact CZ2-CG 4.2Å; W40-L44 HydrophobicContact CZ3-CD1 3.88Å; W40-L44 PolarHBondContact O-N 3.38Å; Q41-L44 PolarHBondContact O-N 3.4Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.37Å; L44-W49 HydrophobicContact CD2-CZ2 4.04Å
45Q82.2Confident73.1Confident141 Ų141116.7 Ų116.766%0.65959%0.585SS**Hα-helixtrans-71.6-30.7-178.6-70.1-177.7-4.900113.1Q41 E42 R47Q41-Q45 WeakPolarHBondContact O-CG 3.49Å; Q41-Q45 PolarHBondContact O-N 3.46Å; E42-Q45 PolarHBondContact O-N 2.9Å; Q45-R47 VanDerWaalsContact C-N 3.35Å
46S80.6Confident71.3Confident87 Ų87119.5 Ų119.561%0.60860%0.595SS**THydrogen-bonded Turntrans-82.1-6.3-17952.50000114.7E42 R43E42-S46 VanDerWaalsContact O-CB 3.27Å; E42-S46 WeakPolarHBondContact O-CB 3.37Å; E42-S46 PolarHBondContact O-N 2.91Å; E42-S46 PolarHBondContact O-OG 3.44Å; R43-S46 VanDerWaalsContact CA-OG 3.31Å; R43-S46 WeakPolarHBondContact CA-OG 3.28Å; R43-S46 PolarHBondContact O-OG 2.99Å
47R75.1Confident69Low157 Ų157121 Ų12159%0.59260%0.603SS**SBendtrans-88.1135.4-171.1-165.8-176.2-171.9-134.24.5110.5R43 Q45 W49R43-R47 WeakPolarHBondContact O-CB 3.43Å; Q45-R47 VanDerWaalsContact C-N 3.35Å; R47-W49 VanDerWaalsContact C-CD1 3.45Å; R47-W49 VanDerWaalsContact CB-CD1 3.41Å; R47-W49 VanDerWaalsContact CB-NE1 3.26Å; R47-W49 PolarHBondContact O-N 2.95Å
48P63.6Low67.1Low101 Ų101121.8 Ų121.866%0.65662%0.621SS**G310 helixtrans-66.9-6.4-165.5-23.233.5000118.2M50 D51P48-M50 VanDerWaalsContact C-N 3.27Å; P48-M50 PolarHBondContact O-N 2.81Å; P48-D51 PolarHBondContact O-N 2.91Å
49W64.7Low65Low150 Ų150125.2 Ų125.257%0.56864%0.64SS**G310 helixtrans-71.8-17.8-178.759.5-57.1000113.3L44 R47L44-W49 HydrophobicContact CD2-CZ2 4.04Å; R47-W49 VanDerWaalsContact C-CD1 3.45Å; R47-W49 VanDerWaalsContact CB-CD1 3.41Å; R47-W49 VanDerWaalsContact CB-NE1 3.26Å; R47-W49 PolarHBondContact O-N 2.95Å
50M56.4Low62.8Low145 Ų145126.7 Ų126.771%0.71466%0.658SS**G310 helixtrans-82.8-20.7171-77.3-73.4-161.100113.2P48P48-M50 VanDerWaalsContact C-N 3.27Å; P48-M50 PolarHBondContact O-N 2.81Å
51D52.4Low60.9Low147 Ų147124.7 Ų124.779%0.78667%0.67SS**SBendtrans-103.5-0.8-169.3-150.620.9000113.5P48 S53P48-D51 PolarHBondContact O-N 2.91Å; D51-S53 VanDerWaalsContact C-N 3.25Å; D51-S53 PolarHBondContact O-N 3.42Å
52R50.8Low59Low229 Ų229131.4 Ų131.486%0.86470%0.701SS**  trans-80.679.7167-93-176-168.4-149.31.3110
53S49.9Very low56.8Low76 Ų76128 Ų12853%0.53170%0.701SS.*  trans-56.2135.1155.4-160.60000108.6D51 A55D51-S53 VanDerWaalsContact C-N 3.25Å; D51-S53 PolarHBondContact O-N 3.42Å; S53-A55 PolarHBondContact O-N 3.07Å
54P50.9Low54.8Low130 Ų130128 Ų12884%0.84471%0.714SS**THydrogen-bonded Turntrans-68.76.317828.1-33.7000113.6
55A47.7Very low52.5Low78 Ų78131.3 Ų131.365%0.64574%0.736SS**THydrogen-bonded Turntrans-88-18.2-176.400000114.4S53 C57S53-A55 PolarHBondContact O-N 3.07Å; A55-C57 PolarHBondContact O-N 2.96Å
56D47.2Very low50.6Low149 Ų149129.9 Ų129.980%0.79774%0.742SS**  trans-102.266.6178.7-72.6-26.5000110.7P58D56-P58 WeakPolarHBondContact O-CD 3.49Å
57C38.1Very low48.5Very low111 Ų111133.4 Ų133.475%0.7575%0.751SS**  trans-85.6112.5148.6-80.70000106.8A55 D59A55-C57 PolarHBondContact O-N 2.96Å; C57-D59 PolarHBondContact O-N 3.05Å
58P43.2Very low46.8Very low120 Ų120131.3 Ų131.378%0.77976%0.758SS**  trans-65.5127.8165.7-8.623.9000107.8D56D56-P58 WeakPolarHBondContact O-CD 3.49Å
59D43Very low45.7Very low153 Ų153130.8 Ų130.882%0.81876%0.762SS**  trans-47.1135.5163.9-77.1-40.5000109.2C57 A61C57-D59 PolarHBondContact O-N 3.05Å; D59-A61 VanDerWaalsContact C-N 3.27Å; D59-A61 PolarHBondContact O-N 3.17Å
60P43.9Very low44.6Very low127 Ų127131.4 Ų131.483%0.82578%0.775SS**  trans-73.688177.730.1-30.9000108.5E62P60-E62 PolarHBondContact O-N 3.45Å
61A46.3Very low43.9Very low91 Ų91132 Ų13275%0.75278%0.78SS**  trans-64.9127.6159.700000108.2D59 G63D59-A61 VanDerWaalsContact C-N 3.27Å; D59-A61 PolarHBondContact O-N 3.17Å; A61-G63 PolarHBondContact O-N 3.34Å; A61-G63 VanDerWaalsContact O-N 3.1Å
62E46.6Very low43.8Very low207 Ų207135.6 Ų135.697%0.96778%0.782SS**SBendtrans-43.9111.4-178.2-61.1-170.2158.900112.3P60P60-E62 PolarHBondContact O-N 3.45Å
63G40.3Very low43.2Very low60 Ų60130.5 Ų130.562%0.61977%0.773SS**  trans-161.7101.1-178.700000109A61 V65A61-G63 PolarHBondContact O-N 3.34Å; A61-G63 VanDerWaalsContact O-N 3.1Å; G63-V65 PolarHBondContact O-N 2.99Å
64D44Very low43.2Very low167 Ų167132.8 Ų132.889%0.89378%0.779SS**  trans-4497178.5-162.114.4000112.4
65V35.8Very low43Very low131 Ų131134.1 Ų134.179%0.79478%0.779SS**  trans-127.3103.3163.8-175.90000107.1G63 M67G63-V65 PolarHBondContact O-N 2.99Å; V65-M67 PolarHBondContact O-N 3.5Å
66S42Very low42.9Very low112 Ų112134.8 Ų134.878%0.78378%0.779SS**  trans-52.8100.5176.4-153.70000111
67M37.3Very low42.6Very low160 Ų160136.2 Ų136.279%0.78878%0.781SS**  trans-68.6141.5154.4-79.7-73-160.100107.9V65 A69V65-M67 PolarHBondContact O-N 3.5Å; M67-A69 PolarHBondContact O-N 3.45Å
68P38.4Very low42.9Very low113 Ų113139.1 Ų139.173%0.73479%0.788SS**  trans-63.1120175.127.8-30.8000107.5I70P68-I70 PolarHBondContact O-N 3.24Å
69A40.2Very low43.1Very low90 Ų90138.6 Ų138.674%0.74478%0.782SS**  trans-53107.8179.900000109.9M67 L71M67-A69 PolarHBondContact O-N 3.45Å; A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.43Å
70I43.1Very low43.7Very low164 Ų164137 Ų13784%0.84178%0.778SS**  trans-64.1104.2156.7-61.9173.5000104.5P68 R72P68-I70 PolarHBondContact O-N 3.24Å; I70-R72 PolarHBondContact O-N 2.95Å
71L41.1Very low44.2Very low158 Ų158141.1 Ų141.183%0.82778%0.777SS**  trans-53.1107.5169.1-76.5168.1000107.7A69 N73A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.43Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 2.89Å
72R49.4Very low45Very low221 Ų221140.5 Ų140.583%0.83476%0.761SS**  trans-60.199.9164.2-118.2-177.8-179.5-140.65.5106.9I70I70-R72 PolarHBondContact O-N 2.95Å
73N39.4Very low46.2Very low123 Ų123133.6 Ų133.666%0.65873%0.73SS**  trans-101.2107.4165.7-176.840.1000107L71 N75L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 2.89Å; N73-N75 PolarHBondContact O-N 2.82Å
74D48.9Very low47.7Very low124 Ų124136.5 Ų136.566%0.66374%0.739SS**THydrogen-bonded Turntrans-72.828.1-171.6-74.7-32.9000114.4
75N46.7Very low49.6Very low158 Ų158131.1 Ų131.185%0.84572%0.723SS**THydrogen-bonded Turntrans-156.443.8176.7-84.4-44.7000113.8N73N73-N75 PolarHBondContact O-N 2.82Å
76S46Very low51.9Low92 Ų92127.5 Ų127.564%0.64370%0.697SS**  trans-127.290.4165.4-163.80000110.1L78S76-L78 PolarHBondContact O-N 3.1Å
77E40.9Very low53.9Low179 Ų179128.8 Ų128.884%0.83670%0.695SS**  trans-24.6103.2151.3-170.6171.2-168.600111.5V79E77-V79 WeakPolarHBondContact O-CG2 3.19Å; E77-V79 PolarHBondContact O-N 3.47Å
78L44.7Very low56.4Low172 Ų172124.1 Ų124.190%0.90168%0.676SS**SBendtrans40.521.5143.8-126.2120.3000121.3S76 V80S76-L78 PolarHBondContact O-N 3.1Å; L78-V80 PolarHBondContact O-N 2.96Å
79V47.4Very low58.9Low108 Ų108123.7 Ų123.766%0.65567%0.666SS**  trans-94.370.7173.8-167.20000109.3E77 R81E77-V79 WeakPolarHBondContact O-CG2 3.19Å; E77-V79 PolarHBondContact O-N 3.47Å; V79-R81 HydrophobicContact CG1-CB 3.85Å; V79-R81 HydrophobicContact CG1-CG 4.24Å; V79-R81 PolarHBondContact O-N 3.28Å
80V54.4Low61.2Low120 Ų120124.9 Ų124.973%0.72766%0.66SS**  trans-65.387.5141.9177.20000103.7L78 N82 I83L78-V80 PolarHBondContact O-N 2.96Å; V80-N82 PolarHBondContact O-N 2.62Å; V80-I83 HydrophobicContact CG1-CD1 4.45Å
81R55.5Low63.4Low214 Ų214120.2 Ų120.281%0.80864%0.637SS**  trans-48.1111.1-179.6-162.5174.5-176.5165.6-0.1106.4V79 I83V79-R81 HydrophobicContact CG1-CB 3.85Å; V79-R81 HydrophobicContact CG1-CG 4.24Å; V79-R81 PolarHBondContact O-N 3.28Å; R81-I83 PolarHBondContact O-N 2.74Å
82N62Low65.8Low78 Ų78113.4 Ų113.442%0.41760%0.603SS.*  trans-2.2113.7165.3164.7-44.3000112.2V80 C84 G85 F86V80-N82 PolarHBondContact O-N 2.62Å; N82-C84 PolarHBondContact O-N 3.2Å; N82-G85 VanDerWaalsContact CG-C 3.5Å; N82-G85 PolarHBondContact ND2-O 3.12Å; N82-G85 VanDerWaalsContact ND2-O 3.17Å; N82-G85 WeakPolarHBondContact OD1-CA 3.37Å; N82-G85 PolarHBondContact OD1-N 2.99Å; N82-F86 CarbonylContact C-O 3.48Å; N82-F86 WeakPolarHBondContact CA-O 3.4Å; N82-F86 PolarHBondContact OD1-N 3.03Å
83I72.5Confident67.7Low62 Ų62106.4 Ų106.432%0.31858%0.582SS.*BIsolated β-bridgetrans-80.4108-178.4-65.3169.4000106.8V80 R81 G85 F86 I89V80-I83 HydrophobicContact CG1-CD1 4.45Å; R81-I83 PolarHBondContact O-N 2.74Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 2.72Å; I83-G85 VanDerWaalsContact O-N 3.12Å; I83-F86 PolarHBondContact N-O 2.92Å; I83-F86 WeakPolarHBondContact O-CB 3.34Å; I83-F86 VanDerWaalsContact O-CD2 3.32Å; I83-F86 WeakPolarHBondContact O-CD2 3.33Å; I83-F86 PolarHBondContact O-N 2.64Å; I83-I89 HydrophobicContact CD1-CB 4.41Å; I83-I89 HydrophobicContact CD1-CD1 3.95Å; I83-I89 HydrophobicContact CD1-CG1 3.19Å
84C73Confident70.2Confident120 Ų120104.8 Ų104.881%0.81157%0.571SS**THydrogen-bonded Turntrans54.532.4171.6-58.80000116N82N82-C84 PolarHBondContact O-N 3.2Å
85G82.5Confident72.3Confident55 Ų55103.4 Ų103.457%0.56756%0.559SS**THydrogen-bonded Turntrans101.4-11.3-17600000114.5N82 I83N82-G85 VanDerWaalsContact CG-C 3.5Å; N82-G85 PolarHBondContact ND2-O 3.12Å; N82-G85 VanDerWaalsContact ND2-O 3.17Å; N82-G85 WeakPolarHBondContact OD1-CA 3.37Å; N82-G85 PolarHBondContact OD1-N 2.99Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 2.72Å; I83-G85 VanDerWaalsContact O-N 3.12Å
86F85Confident74.4Confident55 Ų55100.5 Ų100.524%0.24154%0.543CS..BIsolated β-bridgetrans-98.9144.5-175.9-58.4-80.3000113N82 I83 D91 A92 F95N82-F86 CarbonylContact C-O 3.48Å; N82-F86 WeakPolarHBondContact CA-O 3.4Å; N82-F86 PolarHBondContact OD1-N 3.03Å; I83-F86 PolarHBondContact N-O 2.92Å; I83-F86 WeakPolarHBondContact O-CB 3.34Å; I83-F86 VanDerWaalsContact O-CD2 3.32Å; I83-F86 WeakPolarHBondContact O-CD2 3.33Å; I83-F86 PolarHBondContact O-N 2.64Å; F86-D91 HydrophobicContact CB-CB 4.3Å; F86-D91 HydrophobicContact CD1-CB 4.26Å; F86-A92 HydrophobicContact CB-CB 4.05Å; F86-A92 HydrophobicContact CD1-CB 4.44Å; F86-A92 HydrophobicContact CD2-CB 3.56Å; F86-A92 HydrophobicContact CE2-CB 4.13Å; F86-A92 HydrophobicContact CG-CB 3.75Å; F86-F95 HydrophobicContact CE1-CB 3.71Å; F86-F95 HydrophobicContact CE1-CD1 4.2Å; F86-F95 HydrophobicContact CE1-CD2 4.31Å; F86-F95 AromaticContact CE1-CG 3.8Å; F86-F95 HydrophobicContact CE1-CG 3.8Å; F86-F95 HydrophobicContact CE2-CD1 4.48Å; F86-F95 HydrophobicContact CZ-CB 3.92Å; F86-F95 AromaticContact CZ-CD1 3.58Å; F86-F95 HydrophobicContact CZ-CD1 3.58Å; F86-F95 HydrophobicContact CZ-CD2 4.37Å; F86-F95 HydrophobicContact CZ-CE1 4.2Å; F86-F95 AromaticContact CZ-CG 3.68Å; F86-F95 HydrophobicContact CZ-CG 3.68Å
87D83.8Confident76.7Confident138 Ų138104.3 Ų104.374%0.73854%0.543SS*.SBendtrans-72.4-32.5-179.7-64.7-38000112
88T89.8Confident79.2Confident62 Ų62101.2 Ų101.238%0.3853%0.527SS..SBendtrans-137.2163.8175.270.90000113.1D90 D91 A92T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.26Å; T88-D91 WeakPolarHBondContact CB-OD2 3.37Å; T88-D91 PolarHBondContact N-OD2 3.06Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.8Å; T88-D91 PolarHBondContact OG1-N 3.46Å; T88-D91 PolarHBondContact OG1-OD2 3.32Å; T88-A92 PolarHBondContact O-N 3.04Å
89I90.1Very high81.5Confident104 Ų10498.2 Ų98.253%0.53351%0.508SS..Hα-helixtrans-60.7-40.2172.1-65.4171000110.5I83 D91 A92 L93I83-I89 HydrophobicContact CD1-CB 4.41Å; I83-I89 HydrophobicContact CD1-CD1 3.95Å; I83-I89 HydrophobicContact CD1-CG1 3.19Å; I89-D91 VanDerWaalsContact C-N 3.31Å; I89-D91 PolarHBondContact O-N 2.94Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-L93 HydrophobicContact CG2-CD1 4.01Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.41Å
90D89.2Confident83.7Confident116 Ų11699 Ų9962%0.6251%0.508SS*.Hα-helixtrans-62.9-39.2-178.9-67-52.2000111.4T88 A92 L93 E94T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.26Å; D90-A92 PolarHBondContact O-N 3.3Å; D90-L93 PolarHBondContact O-N 3.34Å; D90-E94 WeakPolarHBondContact O-CB 3.13Å; D90-E94 PolarHBondContact O-N 2.97Å
91D88.8Confident85.6Confident66 Ų6698 Ų9835%0.35350%0.498SS..Hα-helixtrans-62.6-42.6175.2-61.5-42.5000112F86 T88 I89 E94 F95F86-D91 HydrophobicContact CB-CB 4.3Å; F86-D91 HydrophobicContact CD1-CB 4.26Å; T88-D91 WeakPolarHBondContact CB-OD2 3.37Å; T88-D91 PolarHBondContact N-OD2 3.06Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.8Å; T88-D91 PolarHBondContact OG1-N 3.46Å; T88-D91 PolarHBondContact OG1-OD2 3.32Å; I89-D91 VanDerWaalsContact C-N 3.31Å; I89-D91 PolarHBondContact O-N 2.94Å; D91-E94 PolarHBondContact O-N 3Å; D91-F95 WeakPolarHBondContact O-CB 3.23Å; D91-F95 PolarHBondContact O-N 2.96Å
92A91.2Very high87.5Confident15 Ų1591.7 Ų91.712%0.12448%0.484CS..Hα-helixtrans-64.7-40.7176.500000111.6F86 T88 I89 D90 L96F86-A92 HydrophobicContact CB-CB 4.05Å; F86-A92 HydrophobicContact CD1-CB 4.44Å; F86-A92 HydrophobicContact CD2-CB 3.56Å; F86-A92 HydrophobicContact CE2-CB 4.13Å; F86-A92 HydrophobicContact CG-CB 3.75Å; T88-A92 PolarHBondContact O-N 3.04Å; I89-A92 PolarHBondContact O-N 3.14Å; D90-A92 PolarHBondContact O-N 3.3Å; A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.47Å; A92-L96 PolarHBondContact O-N 3.32Å
93L90.5Very high88.9Confident73 Ų7390.5 Ų90.538%0.38248%0.484SS..Hα-helixtrans-68.3-39.5176.2-71.1179.5000112.2I89 D90 L96 R97I89-L93 HydrophobicContact CG2-CD1 4.01Å; I89-L93 HydrophobicContact CG2-CG 4.25Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.41Å; D90-L93 PolarHBondContact O-N 3.34Å; L93-L96 PolarHBondContact O-N 2.89Å; L93-R97 VanDerWaalsContact O-CG 3.28Å; L93-R97 WeakPolarHBondContact O-CG 3.27Å; L93-R97 PolarHBondContact O-N 3.43Å
94E91.9Very high89.8Confident90 Ų9093.3 Ų93.342%0.42150%0.496SS..Hα-helixtrans-68.2-39.8177.1-162.1-174.8156.100111.3D90 D91 R97 K98D90-E94 WeakPolarHBondContact O-CB 3.13Å; D90-E94 PolarHBondContact O-N 2.97Å; D91-E94 PolarHBondContact O-N 3Å; E94-R97 PolarHBondContact O-N 3.42Å; E94-K98 VanDerWaalsContact CD-NZ 3.35Å; E94-K98 HydrophobicContact CG-CD 4.45Å; E94-K98 WeakPolarHBondContact O-CB 3.39Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.36Å; E94-K98 WeakPolarHBondContact OE1-CE 3.48Å; E94-K98 IonicContact OE1-NZ 2.69Å; E94-K98 PolarHBondContact OE1-NZ 3.25Å
95F91.9Very high90.8Very high94 Ų9495.4 Ų95.441%0.41249%0.487SS..Hα-helixtrans-57.8-50171.6176.3-98.9000111.4F86 D91 R97 K98 E99F86-F95 HydrophobicContact CE1-CB 3.71Å; F86-F95 HydrophobicContact CE1-CD1 4.2Å; F86-F95 HydrophobicContact CE1-CD2 4.31Å; F86-F95 AromaticContact CE1-CG 3.8Å; F86-F95 HydrophobicContact CE1-CG 3.8Å; F86-F95 HydrophobicContact CE2-CD1 4.48Å; F86-F95 HydrophobicContact CZ-CB 3.92Å; F86-F95 AromaticContact CZ-CD1 3.58Å; F86-F95 HydrophobicContact CZ-CD1 3.58Å; F86-F95 HydrophobicContact CZ-CD2 4.37Å; F86-F95 HydrophobicContact CZ-CE1 4.2Å; F86-F95 AromaticContact CZ-CG 3.68Å; F86-F95 HydrophobicContact CZ-CG 3.68Å; D91-F95 WeakPolarHBondContact O-CB 3.23Å; D91-F95 PolarHBondContact O-N 2.96Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.48Å; F95-K98 PolarHBondContact O-N 3.46Å; F95-E99 WeakPolarHBondContact O-CB 3.25Å; F95-E99 PolarHBondContact O-N 2.99Å
96L90.5Very high91.3Very high97 Ų9798.5 Ų98.551%0.50849%0.487SS..Hα-helixtrans-58.9-41.3176.4-73.7169.8000112.3A92 L93 E99 L100A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.47Å; A92-L96 PolarHBondContact O-N 3.32Å; L93-L96 PolarHBondContact O-N 2.89Å; L96-E99 PolarHBondContact O-N 2.97Å; L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 VanDerWaalsContact O-CG 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.13Å
97R94.8Very high91.8Very high172 Ų172101 Ų10165%0.64950%0.5SS*.Hα-helixtrans-63.3-43.5175.9-74.1169.9-179156.81.6112L93 E94 F95 L100 L101L93-R97 VanDerWaalsContact O-CG 3.28Å; L93-R97 WeakPolarHBondContact O-CG 3.27Å; L93-R97 PolarHBondContact O-N 3.43Å; E94-R97 PolarHBondContact O-N 3.42Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.48Å; R97-L100 PolarHBondContact O-N 2.8Å; R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 PolarHBondContact O-N 3.13Å
98K93.7Very high92.2Very high115 Ų115100.5 Ų100.550%0.549%0.494SS..Hα-helixtrans-63.1-44.3177.3-75.4169.8-178.7161.30111.3E94 F95 L101 T102E94-K98 VanDerWaalsContact CD-NZ 3.35Å; E94-K98 HydrophobicContact CG-CD 4.45Å; E94-K98 WeakPolarHBondContact O-CB 3.39Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.36Å; E94-K98 WeakPolarHBondContact OE1-CE 3.48Å; E94-K98 IonicContact OE1-NZ 2.69Å; E94-K98 PolarHBondContact OE1-NZ 3.25Å; F95-K98 PolarHBondContact O-N 3.46Å; K98-L101 PolarHBondContact O-N 3.24Å; K98-T102 WeakPolarHBondContact O-CB 3.37Å; K98-T102 PolarHBondContact O-N 2.92Å; K98-T102 PolarHBondContact O-OG1 2.93Å
99E93.4Very high92.4Very high108 Ų108102 Ų10251%0.50550%0.503SS..Hα-helixtrans-64.7-44.8179.4-157.367.2-173.300111.1F95 L96 L101 T102 A103F95-E99 WeakPolarHBondContact O-CB 3.25Å; F95-E99 PolarHBondContact O-N 2.99Å; L96-E99 PolarHBondContact O-N 2.97Å; E99-L101 PolarHBondContact O-N 3.48Å; E99-T102 PolarHBondContact O-N 3.4Å; E99-A103 WeakPolarHBondContact O-CB 3.48Å; E99-A103 PolarHBondContact O-N 3.16Å
100L94.1Very high92.6Very high124 Ų124102.2 Ų102.265%0.64950%0.501SS*.Hα-helixtrans-61.5-42.2175.4-73.9172.2000112.4L96 R97 T102 Q104L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 VanDerWaalsContact O-CG 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.13Å; R97-L100 PolarHBondContact O-N 2.8Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-Q104 WeakPolarHBondContact O-CB 3.36Å; L100-Q104 PolarHBondContact O-N 3.2Å
101L94.5Very high92.8Very high99 Ų99101.2 Ų101.252%0.51850%0.496SS..Hα-helixtrans-65.7-39.7177.9-167.6152.9000111.3R97 K98 E99 R105R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 PolarHBondContact O-N 3.13Å; K98-L101 PolarHBondContact O-N 3.24Å; E99-L101 PolarHBondContact O-N 3.48Å; L101-R105 WeakPolarHBondContact O-CB 3.39Å; L101-R105 PolarHBondContact O-N 2.8Å
102T93.9Very high92.9Very high83 Ų83100.8 Ų100.851%0.50949%0.494SS..Hα-helixtrans-67.9-49.8179.1-53.80000110.9K98 E99 L100 Q104 R105 E106K98-T102 WeakPolarHBondContact O-CB 3.37Å; K98-T102 PolarHBondContact O-N 2.92Å; K98-T102 PolarHBondContact O-OG1 2.93Å; E99-T102 PolarHBondContact O-N 3.4Å; L100-T102 VanDerWaalsContact C-N 3.33Å; T102-Q104 VanDerWaalsContact C-N 3.35Å; T102-Q104 PolarHBondContact O-N 3.39Å; T102-R105 PolarHBondContact O-N 2.69Å; T102-E106 PolarHBondContact O-N 2.93Å
103A91.5Very high93Very high52 Ų52108.2 Ų108.243%0.4352%0.518SS..Hα-helixtrans-61.5-41176.900000112.2E99 R105 E106 M107E99-A103 WeakPolarHBondContact O-CB 3.48Å; E99-A103 PolarHBondContact O-N 3.16Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 2.89Å; A103-E106 PolarHBondContact O-N 3.29Å; A103-M107 WeakPolarHBondContact O-CB 3.36Å; A103-M107 PolarHBondContact O-N 2.89Å
104Q91.8Very high93.2Very high121 Ų121109 Ų10957%0.56552%0.523SS*.Hα-helixtrans-62.1-42.4175.5-177.4-177.51.300111.5L100 T102 E106 M107 Q108L100-Q104 WeakPolarHBondContact O-CB 3.36Å; L100-Q104 PolarHBondContact O-N 3.2Å; T102-Q104 VanDerWaalsContact C-N 3.35Å; T102-Q104 PolarHBondContact O-N 3.39Å; Q104-E106 VanDerWaalsContact C-N 3.35Å; Q104-M107 PolarHBondContact O-N 2.96Å; Q104-Q108 WeakPolarHBondContact O-CB 3.45Å; Q104-Q108 PolarHBondContact O-N 2.92Å
105R93.4Very high93.2Very high164 Ų164106.2 Ų106.262%0.61952%0.515SS*.Hα-helixtrans-64.8-41.3179.2-169.1172.4-132.9119.92.8111.4L101 T102 A103 Q108 V109L101-R105 WeakPolarHBondContact O-CB 3.39Å; L101-R105 PolarHBondContact O-N 2.8Å; T102-R105 PolarHBondContact O-N 2.69Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 2.89Å; R105-Q108 PolarHBondContact O-N 3.07Å; R105-V109 VanDerWaalsContact O-CG2 3.28Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 3.48Å
106E94.1Very high93.2Very high121 Ų121105.9 Ų105.957%0.56551%0.511SS*.Hα-helixtrans-61.9-49.5175.8-175.8172.3-173.600111.6T102 A103 Q104 Q108 V109 Q110T102-E106 PolarHBondContact O-N 2.93Å; A103-E106 PolarHBondContact O-N 3.29Å; Q104-E106 VanDerWaalsContact C-N 3.35Å; E106-Q108 VanDerWaalsContact C-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.48Å; E106-V109 PolarHBondContact O-N 2.89Å; E106-V109 VanDerWaalsContact O-N 3.15Å; E106-Q110 WeakPolarHBondContact O-CG 3.33Å; E106-Q110 PolarHBondContact O-N 3.03Å
107M94.1Very high93.4Very high107 Ų107105.6 Ų105.653%0.52751%0.507SS..Hα-helixtrans-57.7-44.1176.6-175.4-177.570.600111.5A103 Q104 V109 Q110 D111A103-M107 WeakPolarHBondContact O-CB 3.36Å; A103-M107 PolarHBondContact O-N 2.89Å; Q104-M107 PolarHBondContact O-N 2.96Å; M107-V109 VanDerWaalsContact C-N 3.33Å; M107-V109 PolarHBondContact O-N 3.39Å; M107-Q110 PolarHBondContact O-N 3.25Å; M107-D111 PolarHBondContact O-N 3.26Å
108Q93.1Very high93.3Very high127 Ų127102.9 Ų102.959%0.59351%0.505SS*.Hα-helixtrans-63.2-37.8178.4-170.4-178.520.700112.6Q104 R105 E106 N112Q104-Q108 WeakPolarHBondContact O-CB 3.45Å; Q104-Q108 PolarHBondContact O-N 2.92Å; R105-Q108 PolarHBondContact O-N 3.07Å; E106-Q108 VanDerWaalsContact C-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.48Å; Q108-N112 WeakPolarHBondContact O-CB 3.36Å; Q108-N112 PolarHBondContact O-N 3.38Å
109V93.1Very high93.2Very high95 Ų9598.7 Ų98.758%0.57649%0.488SS*.Hα-helixtrans-66.8-42.1176.1168.70000110.8R105 E106 M107 N112 R113R105-V109 VanDerWaalsContact O-CG2 3.28Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 3.48Å; E106-V109 PolarHBondContact O-N 2.89Å; E106-V109 VanDerWaalsContact O-N 3.15Å; M107-V109 VanDerWaalsContact C-N 3.33Å; M107-V109 PolarHBondContact O-N 3.39Å; V109-N112 PolarHBondContact O-N 3Å; V109-R113 PolarHBondContact O-N 2.91Å
110Q95.1Very high93.2Very high108 Ų108100 Ų10051%0.50549%0.488SS..Hα-helixtrans-60.7-48.1175.8-69.4-179.20.700111.3E106 M107 N112 R113 L114E106-Q110 WeakPolarHBondContact O-CG 3.33Å; E106-Q110 PolarHBondContact O-N 3.03Å; M107-Q110 PolarHBondContact O-N 3.25Å; Q110-N112 VanDerWaalsContact C-N 3.34Å; Q110-N112 PolarHBondContact O-N 3.37Å; Q110-R113 WeakPolarHBondContact O-CB 3.18Å; Q110-R113 PolarHBondContact O-N 2.97Å; Q110-L114 WeakPolarHBondContact O-CG 3.44Å; Q110-L114 PolarHBondContact O-N 3.45Å
111D93.7Very high93.2Very high95 Ų9598.2 Ų98.251%0.50848%0.478SS..Hα-helixtrans-61.9-41.4177.6-78.2-14.7000112.1M107 R113 L114 A115M107-D111 PolarHBondContact O-N 3.26Å; D111-R113 VanDerWaalsContact C-N 3.33Å; D111-R113 PolarHBondContact O-N 3.26Å; D111-L114 PolarHBondContact O-N 2.93Å; D111-A115 WeakPolarHBondContact O-CB 3.47Å; D111-A115 PolarHBondContact O-N 2.9Å
112N90.9Very high93.2Very high56 Ų56101 Ų10130%0.29948%0.482SS..Hα-helixtrans-61.5-43.4177.2-165.5-81.8000111.6L18 Q108 V109 Q110 A115 R116L18-N112 WeakPolarHBondContact CD2-ND2 3.43Å; Q108-N112 WeakPolarHBondContact O-CB 3.36Å; Q108-N112 PolarHBondContact O-N 3.38Å; V109-N112 PolarHBondContact O-N 3Å; Q110-N112 VanDerWaalsContact C-N 3.34Å; Q110-N112 PolarHBondContact O-N 3.37Å; N112-A115 PolarHBondContact O-N 3.09Å; N112-R116 WeakPolarHBondContact O-CG 3.34Å; N112-R116 PolarHBondContact O-N 3.25Å; N112-R116 PolarHBondContact OD1-NE 2.7Å
113R92.6Very high93.1Very high171 Ų17198.5 Ų98.565%0.64547%0.473SS*.Hα-helixtrans-61.3-48176.6178.8-178171.7-174.3-0.9111.2V109 Q110 D111 A115 R116 Q117V109-R113 PolarHBondContact O-N 2.91Å; Q110-R113 WeakPolarHBondContact O-CB 3.18Å; Q110-R113 PolarHBondContact O-N 2.97Å; D111-R113 VanDerWaalsContact C-N 3.33Å; D111-R113 PolarHBondContact O-N 3.26Å; R113-A115 PolarHBondContact O-N 3.48Å; R113-R116 PolarHBondContact O-N 3.39Å; R113-Q117 WeakPolarHBondContact O-CG 3.37Å; R113-Q117 PolarHBondContact O-N 2.95Å
114L94.7Very high93.2Very high91 Ų91100.5 Ų100.548%0.47647%0.474SS..Hα-helixtrans-61.4-44178.3-72.7172.5000111.6Q110 D111 R116 Q117 L118Q110-L114 WeakPolarHBondContact O-CG 3.44Å; Q110-L114 PolarHBondContact O-N 3.45Å; D111-L114 PolarHBondContact O-N 2.93Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.26Å; L114-Q117 PolarHBondContact O-N 3.22Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.38Å
115A92.7Very high93.5Very high31 Ų3199 Ų9926%0.25647%0.468SS..Hα-helixtrans-59.1-45177.900000111.6L18 D111 N112 R113 Q117 L118 I119L18-A115 HydrophobicContact CD1-CB 3.96Å; L18-A115 HydrophobicContact CD2-CB 4.25Å; D111-A115 WeakPolarHBondContact O-CB 3.47Å; D111-A115 PolarHBondContact O-N 2.9Å; N112-A115 PolarHBondContact O-N 3.09Å; R113-A115 PolarHBondContact O-N 3.48Å; A115-Q117 VanDerWaalsContact C-N 3.35Å; A115-Q117 PolarHBondContact O-N 3.43Å; A115-L118 PolarHBondContact O-N 3.48Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 2.91Å
116R91.9Very high93.6Very high86 Ų8697 Ų9733%0.32547%0.466SS..Hα-helixtrans-62.3-40.2176-70.6179-175.2-81.10.2112.2D17 L18 D19 N112 R113 L114 R120D17-R116 IonicContact OD1-CZ 3.85Å; D17-R116 IonicContact OD1-NH1 2.81Å; D17-R116 PolarHBondContact OD1-NH1 2.86Å; L18-R116 HydrophobicContact CB-CG 4.17Å; L18-R116 HydrophobicContact CD2-CG 4.22Å; D19-R116 IonicContact OD2-NH2 3.63Å; N112-R116 WeakPolarHBondContact O-CG 3.34Å; N112-R116 PolarHBondContact O-N 3.25Å; N112-R116 PolarHBondContact OD1-NE 2.7Å; R113-R116 PolarHBondContact O-N 3.39Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.26Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.24Å; R116-R120 VanDerWaalsContact O-N 3.14Å
117Q94.2Very high93.7Very high91 Ų9198.2 Ų98.243%0.42547%0.465SS..Hα-helixtrans-64.2-44.7175.7-72.3-178.5-50.200112.1R113 L114 A115 I119 R120 L121R113-Q117 WeakPolarHBondContact O-CG 3.37Å; R113-Q117 PolarHBondContact O-N 2.95Å; L114-Q117 PolarHBondContact O-N 3.22Å; A115-Q117 VanDerWaalsContact C-N 3.35Å; A115-Q117 PolarHBondContact O-N 3.43Å; Q117-I119 VanDerWaalsContact C-N 3.34Å; Q117-I119 PolarHBondContact O-N 2.89Å; Q117-R120 PolarHBondContact O-N 2.96Å; Q117-L121 WeakPolarHBondContact O-CG 3.3Å; Q117-L121 PolarHBondContact O-N 3.29Å
118L93.9Very high93.8Very high116 Ų11697.7 Ų97.761%0.60746%0.464SS*.Hα-helixtrans-63.2-39.9178.9-73.6171.1000112.3L114 A115 L121 R122L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.38Å; A115-L118 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.28Å; L118-R122 PolarHBondContact O-N 2.88Å
119I91.4Very high94.1Very high26 Ų2697.6 Ų97.613%0.13346%0.462CS..Hα-helixtrans-63.2-45.1176.5-70.1166.5000110.9E16 L18 V21 A115 Q117 R122 G123E16-I119 HydrophobicContact CB-CG2 3.62Å; E16-I119 HydrophobicContact CG-CG2 4.46Å; E16-I119 VanDerWaalsContact O-CG2 3.25Å; E16-I119 WeakPolarHBondContact O-CG2 3.22Å; L18-I119 HydrophobicContact CB-CD1 4.18Å; L18-I119 HydrophobicContact CD1-CD1 3.5Å; L18-I119 VanDerWaalsContact CD1-CD1 3.5Å; L18-I119 HydrophobicContact CG-CD1 4.44Å; V21-I119 HydrophobicContact CG2-CD1 4.44Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 2.91Å; Q117-I119 VanDerWaalsContact C-N 3.34Å; Q117-I119 PolarHBondContact O-N 2.89Å; I119-R122 WeakPolarHBondContact O-CB 3.38Å; I119-R122 PolarHBondContact O-N 3.32Å; I119-G123 PolarHBondContact O-N 3.47Å; I119-G123 VanDerWaalsContact O-N 3.07Å
120R92.6Very high94.3Very high136 Ų13696.4 Ų96.451%0.51346%0.455SS..Hα-helixtrans-59.6-50.6175.5-72177.1-176.9-157.2-1.6112.2T15 R116 Q117 R122 G123 E124T15-R120 HydrophobicContact CG2-CG 3.99Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.24Å; R116-R120 VanDerWaalsContact O-N 3.14Å; Q117-R120 PolarHBondContact O-N 2.96Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.45Å; R120-G123 PolarHBondContact O-N 3.03Å; R120-E124 PolarHBondContact O-N 3.03Å
121L94.9Very high94.5Very high86 Ų8696 Ų9645%0.4545%0.453SS..Hα-helixtrans-59-39.1178-73.1171.6000111.8Q117 L118 G123 E124 I125Q117-L121 WeakPolarHBondContact O-CG 3.3Å; Q117-L121 PolarHBondContact O-N 3.29Å; L118-L121 PolarHBondContact O-N 3.37Å; L121-G123 VanDerWaalsContact C-N 3.34Å; L121-G123 PolarHBondContact O-N 2.87Å; L121-E124 PolarHBondContact O-N 3.09Å; L121-I125 WeakPolarHBondContact O-CB 3.34Å; L121-I125 WeakPolarHBondContact O-CD1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 3.05Å
122R94.2Very high94.7Very high157 Ų15798.2 Ų98.259%0.59246%0.46SS*.Hα-helixtrans-59.9-44.7175178.3-176.4174-92.4-6.3111.4E16 L118 I119 R120 H126E16-R122 IonicContact OE1-NH1 3.82Å; E16-R122 PolarHBondContact OE1-NH1 3.34Å; E16-R122 IonicContact OE2-NH1 3.39Å; E16-R122 PolarHBondContact OE2-NH1 3.41Å; L118-R122 WeakPolarHBondContact O-CB 3.28Å; L118-R122 PolarHBondContact O-N 2.88Å; I119-R122 WeakPolarHBondContact O-CB 3.38Å; I119-R122 PolarHBondContact O-N 3.32Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.45Å; R122-H126 WeakPolarHBondContact O-CB 3.49Å; R122-H126 PolarHBondContact O-N 3.32Å
123G90.6Very high95Very high32 Ų32100.3 Ų100.333%0.3348%0.475SS..Hα-helixtrans-62.4-47.417600000112.5I119 R120 L121 H126 R127I119-G123 PolarHBondContact O-N 3.47Å; I119-G123 VanDerWaalsContact O-N 3.07Å; R120-G123 PolarHBondContact O-N 3.03Å; L121-G123 VanDerWaalsContact C-N 3.34Å; L121-G123 PolarHBondContact O-N 2.87Å; G123-H126 PolarHBondContact O-N 3.48Å; G123-R127 PolarHBondContact O-N 2.89Å
124E95.1Very high95.3Very high93 Ų9395.7 Ų95.744%0.43547%0.468SS..Hα-helixtrans-60.3-47.2177.6-71.1171.3-168.300112.1R120 L121 H126 R127 L128R120-E124 PolarHBondContact O-N 3.03Å; L121-E124 PolarHBondContact O-N 3.09Å; E124-H126 VanDerWaalsContact C-N 3.28Å; E124-H126 PolarHBondContact O-N 2.97Å; E124-R127 PolarHBondContact O-N 3.33Å; E124-L128 WeakPolarHBondContact O-CB 3.41Å; E124-L128 WeakPolarHBondContact O-CG 3.44Å; E124-L128 PolarHBondContact O-N 3.22Å
125I96.5Very high95.4Very high89 Ų8996.8 Ų96.846%0.45647%0.47SS..Hα-helixtrans-60.2-41.4176.4-70.5165.4000110.6L121 K129L121-I125 WeakPolarHBondContact O-CB 3.34Å; L121-I125 WeakPolarHBondContact O-CD1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 3.05Å; I125-K129 HydrophobicContact CG2-CD 4.06Å; I125-K129 HydrophobicContact CG2-CG 4.49Å; I125-K129 WeakPolarHBondContact O-CB 3.26Å; I125-K129 VanDerWaalsContact O-CG 3.26Å; I125-K129 WeakPolarHBondContact O-CG 3.39Å; I125-K129 PolarHBondContact O-N 3.49Å
126H95.8Very high95.7Very high124 Ų124103.6 Ų103.657%0.57449%0.49SS*.Hα-helixtrans-65.1-46.9178.6-175.161.7000111.4R122 G123 E124 L128 K129 V130R122-H126 WeakPolarHBondContact O-CB 3.49Å; R122-H126 PolarHBondContact O-N 3.32Å; G123-H126 PolarHBondContact O-N 3.48Å; E124-H126 VanDerWaalsContact C-N 3.28Å; E124-H126 PolarHBondContact O-N 2.97Å; H126-L128 PolarHBondContact O-N 2.98Å; H126-K129 WeakPolarHBondContact O-CB 3.31Å; H126-K129 PolarHBondContact O-N 3.39Å; H126-V130 WeakPolarHBondContact O-CG2 3.28Å; H126-V130 PolarHBondContact O-N 3.28Å
127R96.3Very high96Very high145 Ų145104.2 Ų104.255%0.54750%0.496SS..Hα-helixtrans-56.7-51.3176.2-173.3-175.771.5-151.8-3.3111.3G123 E124 K129 V130 E131G123-R127 PolarHBondContact O-N 2.89Å; E124-R127 PolarHBondContact O-N 3.33Å; R127-K129 VanDerWaalsContact C-N 3.29Å; R127-K129 PolarHBondContact O-N 3.17Å; R127-V130 PolarHBondContact O-N 3.11Å; R127-V130 VanDerWaalsContact O-N 3.09Å; R127-E131 WeakPolarHBondContact CG-OE1 3.44Å; R127-E131 IonicContact NE-OE1 3.9Å; R127-E131 WeakPolarHBondContact O-CG 3.32Å; R127-E131 PolarHBondContact O-N 3.28Å
128L97.6Very high96.2Very high96 Ų96105.8 Ų105.850%0.50350%0.501SS..Hα-helixtrans-60-38.7178.9-71.2172.4000112.2E124 H126 E131 Q132E124-L128 WeakPolarHBondContact O-CB 3.41Å; E124-L128 WeakPolarHBondContact O-CG 3.44Å; E124-L128 PolarHBondContact O-N 3.22Å; H126-L128 PolarHBondContact O-N 2.98Å; L128-E131 PolarHBondContact O-N 2.92Å; L128-Q132 VanDerWaalsContact O-CB 3.28Å; L128-Q132 WeakPolarHBondContact O-CB 3.39Å; L128-Q132 PolarHBondContact O-N 3.17Å
129K98.2Very high96.3Very high125 Ų125104.7 Ų104.754%0.54349%0.493SS..Hα-helixtrans-64.1-41.6174.9-79.4176.7177.8-177.80112.2I125 H126 R127 V133I125-K129 HydrophobicContact CG2-CD 4.06Å; I125-K129 HydrophobicContact CG2-CG 4.49Å; I125-K129 WeakPolarHBondContact O-CB 3.26Å; I125-K129 VanDerWaalsContact O-CG 3.26Å; I125-K129 WeakPolarHBondContact O-CG 3.39Å; I125-K129 PolarHBondContact O-N 3.49Å; H126-K129 WeakPolarHBondContact O-CB 3.31Å; H126-K129 PolarHBondContact O-N 3.39Å; R127-K129 VanDerWaalsContact C-N 3.29Å; R127-K129 PolarHBondContact O-N 3.17Å; K129-V133 VanDerWaalsContact O-CG2 3.31Å; K129-V133 WeakPolarHBondContact O-CG2 3.5Å; K129-V133 PolarHBondContact O-N 3.28Å
130V97.9Very high96.6Very high70 Ų70108.4 Ų108.442%0.42451%0.511SS..Hα-helixtrans-64-49.4176.6172.90000109.9H126 R127 Q132 V133 C134H126-V130 WeakPolarHBondContact O-CG2 3.28Å; H126-V130 PolarHBondContact O-N 3.28Å; R127-V130 PolarHBondContact O-N 3.11Å; R127-V130 VanDerWaalsContact O-N 3.09Å; V130-Q132 VanDerWaalsContact C-N 3.32Å; V130-Q132 PolarHBondContact O-N 3.21Å; V130-V133 PolarHBondContact O-N 3.3Å; V130-C134 WeakPolarHBondContact O-CB 3.48Å; V130-C134 PolarHBondContact O-N 3.28Å; V130-C134 PolarHBondContact O-SG 3.49Å
131E97.8Very high96.9Very high99 Ų99106.2 Ų106.246%0.46351%0.509SS..Hα-helixtrans-56.1-45.6176.7-73.8171.2-171.200111.9R127 L128 V133 C134 H135R127-E131 WeakPolarHBondContact CG-OE1 3.44Å; R127-E131 IonicContact NE-OE1 3.9Å; R127-E131 WeakPolarHBondContact O-CG 3.32Å; R127-E131 PolarHBondContact O-N 3.28Å; L128-E131 PolarHBondContact O-N 2.92Å; E131-V133 PolarHBondContact O-N 2.89Å; E131-C134 PolarHBondContact O-N 3.47Å; E131-H135 WeakPolarHBondContact O-CB 3.47Å; E131-H135 PolarHBondContact O-N 2.91Å
132Q98.3Very high97Very high143 Ų143105.1 Ų105.167%0.66850%0.504SS*.Hα-helixtrans-61-44.8177.8-175.5-178.729.200112.3L128 V130 H135 R136L128-Q132 VanDerWaalsContact O-CB 3.28Å; L128-Q132 WeakPolarHBondContact O-CB 3.39Å; L128-Q132 PolarHBondContact O-N 3.17Å; V130-Q132 VanDerWaalsContact C-N 3.32Å; V130-Q132 PolarHBondContact O-N 3.21Å; Q132-H135 PolarHBondContact O-N 2.95Å; Q132-R136 PolarHBondContact O-N 2.93Å
133V97.9Very high97.1Very high99 Ų99102.2 Ų102.260%0.650%0.5SS*.Hα-helixtrans-66.3-41.6178.3170.70000110.8K129 V130 E131 R136 H137K129-V133 VanDerWaalsContact O-CG2 3.31Å; K129-V133 WeakPolarHBondContact O-CG2 3.5Å; K129-V133 PolarHBondContact O-N 3.28Å; V130-V133 PolarHBondContact O-N 3.3Å; E131-V133 PolarHBondContact O-N 2.89Å; V133-R136 PolarHBondContact O-N 3.32Å; V133-H137 WeakPolarHBondContact O-CB 3.45Å; V133-H137 PolarHBondContact O-N 3.27Å
134C98.1Very high97.3Very high75 Ų75102.8 Ų102.851%0.50750%0.502SS..Hα-helixtrans-61.3-44.3175.4-71.40000111.8V130 E131 H137 K138V130-C134 WeakPolarHBondContact O-CB 3.48Å; V130-C134 PolarHBondContact O-N 3.28Å; V130-C134 PolarHBondContact O-SG 3.49Å; E131-C134 PolarHBondContact O-N 3.47Å; C134-H137 PolarHBondContact O-N 2.92Å; C134-K138 PolarHBondContact O-N 3.02Å
135H98.3Very high97.2Very high114 Ų114101.5 Ų101.553%0.52850%0.5SS..Hα-helixtrans-61.6-48.7178-172.858.1000111.5E131 Q132 H137 K138 E139E131-H135 WeakPolarHBondContact O-CB 3.47Å; E131-H135 PolarHBondContact O-N 2.91Å; Q132-H135 PolarHBondContact O-N 2.95Å; H135-H137 VanDerWaalsContact C-N 3.27Å; H135-H137 PolarHBondContact O-N 3.45Å; H135-K138 WeakPolarHBondContact O-CB 3.38Å; H135-K138 PolarHBondContact O-N 3.43Å; H135-K138 VanDerWaalsContact O-N 3.08Å; H135-E139 IonicContact CD2-OE1 2.96Å; H135-E139 IonicContact NE2-OE1 2.89Å; H135-E139 PolarHBondContact NE2-OE1 3.08Å; H135-E139 PolarHBondContact O-N 2.89Å
136R97.7Very high97Very high174 Ų174103.9 Ų103.966%0.65751%0.505SS*.Hα-helixtrans-60.5-37.6176.1-173.2175.2-177.7-176.81.4112.5Q132 V133 K138 E139 M140Q132-R136 PolarHBondContact O-N 2.93Å; V133-R136 PolarHBondContact O-N 3.32Å; R136-K138 VanDerWaalsContact C-N 3.34Å; R136-E139 PolarHBondContact O-N 3.2Å; R136-M140 WeakPolarHBondContact O-CG 3.49Å; R136-M140 PolarHBondContact O-N 2.68Å; R136-M140 VanDerWaalsContact O-N 3.14Å
137H98.3Very high96.7Very high99 Ų99104.2 Ų104.246%0.45851%0.506SS..Hα-helixtrans-65.6-40.1175.6-176.152.5000111.9V133 C134 H135 M140 L141V133-H137 WeakPolarHBondContact O-CB 3.45Å; V133-H137 PolarHBondContact O-N 3.27Å; C134-H137 PolarHBondContact O-N 2.92Å; H135-H137 VanDerWaalsContact C-N 3.27Å; H135-H137 PolarHBondContact O-N 3.45Å; H137-M140 HydrophobicContact CB-CE 4.39Å; H137-M140 PolarHBondContact O-N 2.92Å; H137-L141 WeakPolarHBondContact O-CG 3.4Å; H137-L141 PolarHBondContact O-N 3.04Å
138K97.9Very high96.2Very high124 Ų124103.3 Ų103.354%0.53951%0.512SS..Hα-helixtrans-61.3-47.7174.4-176.4178.2176.8175.50111.5C134 H135 R136 M140 L141 D142C134-K138 PolarHBondContact O-N 3.02Å; H135-K138 WeakPolarHBondContact O-CB 3.38Å; H135-K138 PolarHBondContact O-N 3.43Å; H135-K138 VanDerWaalsContact O-N 3.08Å; R136-K138 VanDerWaalsContact C-N 3.34Å; K138-M140 VanDerWaalsContact C-N 3.29Å; K138-M140 PolarHBondContact O-N 3.3Å; K138-L141 WeakPolarHBondContact O-CB 3Å; K138-L141 PolarHBondContact O-N 3.4Å; K138-D142 WeakPolarHBondContact CE-OD2 3.42Å; K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 VanDerWaalsContact O-CG 3.27Å; K138-D142 PolarHBondContact O-N 3.43Å
139E97.8Very high95.5Very high93 Ų93103 Ų10344%0.43551%0.508SS..Hα-helixtrans-54.8-45.6176.1-68.8175.7148.900111.5H135 R136 L141 D142 D143H135-E139 IonicContact CD2-OE1 2.96Å; H135-E139 IonicContact NE2-OE1 2.89Å; H135-E139 PolarHBondContact NE2-OE1 3.08Å; H135-E139 PolarHBondContact O-N 2.89Å; R136-E139 PolarHBondContact O-N 3.2Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.26Å; E139-D142 PolarHBondContact O-N 3.37Å; E139-D143 WeakPolarHBondContact O-CB 3.41Å; E139-D143 VanDerWaalsContact O-CG 3.25Å; E139-D143 PolarHBondContact O-N 3.19Å
140M97.7Very high94.5Very high103 Ų103102.6 Ų102.651%0.50751%0.508SS..Hα-helixtrans-63.6-34.4176.8-68.8-173.9-59.900113.7R136 H137 K138 A144R136-M140 WeakPolarHBondContact O-CG 3.49Å; R136-M140 PolarHBondContact O-N 2.68Å; R136-M140 VanDerWaalsContact O-N 3.14Å; H137-M140 HydrophobicContact CB-CE 4.39Å; H137-M140 PolarHBondContact O-N 2.92Å; K138-M140 VanDerWaalsContact C-N 3.29Å; K138-M140 PolarHBondContact O-N 3.3Å; M140-A144 WeakPolarHBondContact O-CB 3.49Å; M140-A144 PolarHBondContact O-N 2.87Å
141L97.9Very high93.2Very high90 Ų90102.5 Ų102.547%0.47151%0.509SS..Hα-helixtrans-72.7-40.3175.9-71.6174.8000111.2H137 K138 E139 A144 T145H137-L141 WeakPolarHBondContact O-CG 3.4Å; H137-L141 PolarHBondContact O-N 3.04Å; K138-L141 WeakPolarHBondContact O-CB 3Å; K138-L141 PolarHBondContact O-N 3.4Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.26Å; L141-A144 PolarHBondContact O-N 2.83Å; L141-T145 WeakPolarHBondContact O-CB 3.48Å; L141-T145 PolarHBondContact O-N 2.93Å; L141-T145 PolarHBondContact O-OG1 3.14Å
142D96.9Very high91.7Very high63 Ų63104 Ų10434%0.33752%0.517SS..Hα-helixtrans-62.9-47.9177.1-67-15000109.1K138 E139 A144 T145 Y146K138-D142 WeakPolarHBondContact CE-OD2 3.42Å; K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 VanDerWaalsContact O-CG 3.27Å; K138-D142 PolarHBondContact O-N 3.43Å; E139-D142 PolarHBondContact O-N 3.37Å; D142-A144 PolarHBondContact O-N 3.04Å; D142-T145 WeakPolarHBondContact O-CA 3.49Å; D142-T145 WeakPolarHBondContact O-CB 3.4Å; D142-T145 PolarHBondContact O-N 3.06Å; D142-Y146 HydrophobicContact CB-CE2 4.11Å; D142-Y146 WeakPolarHBondContact O-CD2 3.44Å; D142-Y146 PolarHBondContact O-N 2.92Å
143D96Very high90.2Very high96 Ų96103.4 Ų103.451%0.51351%0.514SS..Hα-helixtrans-54.4-49.8174.6-70.6-17000112E139 T145 Y146 E147E139-D143 WeakPolarHBondContact O-CB 3.41Å; E139-D143 VanDerWaalsContact O-CG 3.25Å; E139-D143 PolarHBondContact O-N 3.19Å; D143-T145 PolarHBondContact O-N 3.33Å; D143-Y146 PolarHBondContact O-N 3.43Å; D143-E147 WeakPolarHBondContact O-CG 3.41Å; D143-E147 PolarHBondContact O-N 3.15Å
144A95.1Very high88.4Confident45 Ų45104.6 Ų104.637%0.37251%0.513SS..Hα-helixtrans-65.2-28.5178.100000113.1M140 L141 D142 L148M140-A144 WeakPolarHBondContact O-CB 3.49Å; M140-A144 PolarHBondContact O-N 2.87Å; L141-A144 PolarHBondContact O-N 2.83Å; D142-A144 PolarHBondContact O-N 3.04Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 3.25Å
145T93.4Very high86.6Confident66 Ų66104.2 Ų104.241%0.40551%0.511SS..Hα-helixtrans-72.6-44.7176.3-55.40000110.2L141 D142 D143 E147 L148 E149L141-T145 WeakPolarHBondContact O-CB 3.48Å; L141-T145 PolarHBondContact O-N 2.93Å; L141-T145 PolarHBondContact O-OG1 3.14Å; D142-T145 WeakPolarHBondContact O-CA 3.49Å; D142-T145 WeakPolarHBondContact O-CB 3.4Å; D142-T145 PolarHBondContact O-N 3.06Å; D143-T145 PolarHBondContact O-N 3.33Å; T145-E147 PolarHBondContact O-N 3.36Å; T145-L148 PolarHBondContact O-N 2.97Å; T145-L148 VanDerWaalsContact O-N 3.17Å; T145-E149 WeakPolarHBondContact O-CG 3.37Å; T145-E149 PolarHBondContact O-N 3.17Å
146Y92.6Very high84.9Confident139 Ų139103.8 Ų103.855%0.54551%0.512SS..Hα-helixtrans-60.6-43175-68.1-60.3000112.1D142 D143 L148 E149 E150D142-Y146 HydrophobicContact CB-CE2 4.11Å; D142-Y146 WeakPolarHBondContact O-CD2 3.44Å; D142-Y146 PolarHBondContact O-N 2.92Å; D143-Y146 PolarHBondContact O-N 3.43Å; Y146-L148 VanDerWaalsContact C-N 3.26Å; Y146-L148 PolarHBondContact O-N 3.28Å; Y146-E149 PolarHBondContact O-N 3.29Å; Y146-E150 WeakPolarHBondContact O-CG 3.41Å; Y146-E150 PolarHBondContact O-N 3.46Å
147E88.8Confident83.1Confident131 Ų131101.9 Ų101.961%0.61251%0.514SS*.Hα-helixtrans-59.6-36.7175.9-73.1-178300112.5D143 T145 C151D143-E147 WeakPolarHBondContact O-CG 3.41Å; D143-E147 PolarHBondContact O-N 3.15Å; T145-E147 PolarHBondContact O-N 3.36Å; E147-C151 PolarHBondContact O-N 3.39Å; E147-C151 PolarHBondContact O-SG 2.95Å
148L85.3Confident81.1Confident125 Ų125102.7 Ų102.765%0.65452%0.522SS*.Hα-helixtrans-71.4-41.9176.9-76.9167.7000112.3A144 T145 Y146 C151 E152A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 3.25Å; T145-L148 PolarHBondContact O-N 2.97Å; T145-L148 VanDerWaalsContact O-N 3.17Å; Y146-L148 VanDerWaalsContact C-N 3.26Å; Y146-L148 PolarHBondContact O-N 3.28Å; L148-C151 PolarHBondContact O-N 3.01Å; L148-E152 PolarHBondContact O-N 3.31Å
149E83.9Confident79.1Confident91 Ų91101.4 Ų101.443%0.42553%0.527SS..Hα-helixtrans-61.5-44.2176-71.9175.7-18000110.8T145 Y146 C151 E152 E153T145-E149 WeakPolarHBondContact O-CG 3.37Å; T145-E149 PolarHBondContact O-N 3.17Å; Y146-E149 PolarHBondContact O-N 3.29Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 3.21Å; E149-E152 PolarHBondContact O-N 3.19Å; E149-E152 VanDerWaalsContact O-N 3.15Å; E149-E153 WeakPolarHBondContact O-CG 3.4Å; E149-E153 PolarHBondContact O-N 3.14Å
150E76.8Confident76.9Confident116 Ų116103.9 Ų103.954%0.54254%0.543SS..Hα-helixtrans-58.9-42.5174.6-72.3-179.7176.500111.7Y146 E152 E153 E154Y146-E150 WeakPolarHBondContact O-CG 3.41Å; Y146-E150 PolarHBondContact O-N 3.46Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.33Å; E150-E153 PolarHBondContact O-N 3.33Å; E150-E154 WeakPolarHBondContact O-CB 3.5Å; E150-E154 WeakPolarHBondContact O-CG 3.5Å; E150-E154 PolarHBondContact O-N 3.06Å
151C70.8Confident74.9Confident68 Ų68102.7 Ų102.746%0.45954%0.538SS..Hα-helixtrans-66.1-33.4176.8-71.20000113.4E147 L148 E149 S155E147-C151 PolarHBondContact O-N 3.39Å; E147-C151 PolarHBondContact O-SG 2.95Å; L148-C151 PolarHBondContact O-N 3.01Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 3.21Å; C151-S155 WeakPolarHBondContact O-CB 3.47Å; C151-S155 PolarHBondContact O-N 3.35Å; C151-S155 VanDerWaalsContact O-N 3.15Å; C151-S155 PolarHBondContact O-OG 3.03Å
152E66.2Low72.7Confident131 Ų131103 Ų10361%0.61255%0.546SS*.Hα-helixtrans-70.4-47.2175.3-174.9171.5-16800110.7L148 E149 E150 E154 S155 D156L148-E152 PolarHBondContact O-N 3.31Å; E149-E152 PolarHBondContact O-N 3.19Å; E149-E152 VanDerWaalsContact O-N 3.15Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.33Å; E152-E154 VanDerWaalsContact C-N 3.35Å; E152-E154 PolarHBondContact O-N 3.05Å; E152-S155 WeakPolarHBondContact O-CA 3.34Å; E152-S155 WeakPolarHBondContact O-CB 3.38Å; E152-S155 PolarHBondContact O-N 2.9Å; E152-S155 VanDerWaalsContact O-N 3.07Å; E152-D156 PolarHBondContact O-N 3.42Å
153E67.3Low70.7Confident130 Ų130107.6 Ų107.661%0.60757%0.567SS**Hα-helixtrans-61.2-41.3176.2-69.6-176.2176.400112.2E149 E150 S155 D156 L157E149-E153 WeakPolarHBondContact O-CG 3.4Å; E149-E153 PolarHBondContact O-N 3.14Å; E150-E153 PolarHBondContact O-N 3.33Å; E153-S155 VanDerWaalsContact C-N 3.28Å; E153-S155 PolarHBondContact O-N 3.21Å; E153-D156 PolarHBondContact O-N 3.07Å; E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.91Å
154E59.3Low68.5Low124 Ų124112.4 Ų112.458%0.57958%0.583SS**Hα-helixtrans-62.5-35.4173.6-75.4174.217500112.4E150 E152 L158E150-E154 WeakPolarHBondContact O-CB 3.5Å; E150-E154 WeakPolarHBondContact O-CG 3.5Å; E150-E154 PolarHBondContact O-N 3.06Å; E152-E154 VanDerWaalsContact C-N 3.35Å; E152-E154 PolarHBondContact O-N 3.05Å; E154-L158 WeakPolarHBondContact O-CB 3.18Å; E154-L158 PolarHBondContact O-N 3.45Å
155S60.3Low66.6Low67 Ų67112.8 Ų112.847%0.46959%0.586SS.*Hα-helixtrans-72.9-38.3177.1-62.90000112C151 E152 E153 L158 C159C151-S155 WeakPolarHBondContact O-CB 3.47Å; C151-S155 PolarHBondContact O-N 3.35Å; C151-S155 VanDerWaalsContact O-N 3.15Å; C151-S155 PolarHBondContact O-OG 3.03Å; E152-S155 WeakPolarHBondContact O-CA 3.34Å; E152-S155 WeakPolarHBondContact O-CB 3.38Å; E152-S155 PolarHBondContact O-N 2.9Å; E152-S155 VanDerWaalsContact O-N 3.07Å; E153-S155 VanDerWaalsContact C-N 3.28Å; E153-S155 PolarHBondContact O-N 3.21Å; S155-L158 CarbonylContact O-C 3.43Å; S155-L158 WeakPolarHBondContact O-CA 3.39Å; S155-L158 VanDerWaalsContact O-CB 3.28Å; S155-L158 WeakPolarHBondContact O-CB 3.28Å; S155-L158 PolarHBondContact O-N 2.76Å; S155-C159 PolarHBondContact O-N 3.48Å; S155-C159 PolarHBondContact O-SG 3.1Å
156D62.1Low64.6Low104 Ų104113.5 Ų113.556%0.55660%0.599SS**Hα-helixtrans-66.5-39.1176.1-88.2-1.4000112.2E152 E153 L158 C159E152-D156 PolarHBondContact O-N 3.42Å; E153-D156 PolarHBondContact O-N 3.07Å; D156-L158 PolarHBondContact O-N 3.15Å; D156-C159 WeakPolarHBondContact O-CB 3.28Å; D156-C159 PolarHBondContact O-N 3.43Å; D156-C159 VanDerWaalsContact O-N 3.14Å
157L61Low62.8Low134 Ų134114.7 Ų114.770%0.70261%0.607SS**Hα-helixtrans-64.9-26169.8-68.5169.8000112.4E153E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.91Å
158L55.9Low61.3Low117 Ų117110.7 Ų110.761%0.61360%0.597SS**Hα-helixtrans-82.5-19.1174.8-132.4108.2000113.2E154 S155 D156 D160 I161E154-L158 WeakPolarHBondContact O-CB 3.18Å; E154-L158 PolarHBondContact O-N 3.45Å; S155-L158 CarbonylContact O-C 3.43Å; S155-L158 WeakPolarHBondContact O-CA 3.39Å; S155-L158 VanDerWaalsContact O-CB 3.28Å; S155-L158 WeakPolarHBondContact O-CB 3.28Å; S155-L158 PolarHBondContact O-N 2.76Å; D156-L158 PolarHBondContact O-N 3.15Å; L158-D160 PolarHBondContact O-N 3.39Å; L158-I161 HydrophobicContact CD1-CD1 4.3Å; L158-I161 HydrophobicContact CD2-CD1 4.13Å; L158-I161 HydrophobicContact CG-CD1 3.62Å; L158-I161 HydrophobicContact CG-CG1 4.41Å; L158-I161 VanDerWaalsContact O-CB 3.28Å; L158-I161 WeakPolarHBondContact O-CB 3.37Å; L158-I161 VanDerWaalsContact O-CG1 3.29Å; L158-I161 WeakPolarHBondContact O-CG1 3.29Å; L158-I161 PolarHBondContact O-N 2.92Å; L158-I161 VanDerWaalsContact O-N 3.1Å
159C55.4Low59.9Low96 Ų96106.8 Ų106.865%0.64958%0.576SS**Hα-helixtrans-71.2-16.5177.5-75.90000113.2S155 D156 I161S155-C159 PolarHBondContact O-N 3.48Å; S155-C159 PolarHBondContact O-SG 3.1Å; D156-C159 WeakPolarHBondContact O-CB 3.28Å; D156-C159 PolarHBondContact O-N 3.43Å; D156-C159 VanDerWaalsContact O-N 3.14Å; C159-I161 PolarHBondContact O-N 3.25Å
160D53.3Low58.9Low145 Ų145105.6 Ų105.678%0.77558%0.578SS**THydrogen-bonded Turntrans-79.2-4.9169.7-77-23.7000113.2L158L158-D160 PolarHBondContact O-N 3.39Å
161I54.2Low58.2Low79 Ų79104.7 Ų104.741%0.40558%0.58SS.*SBendtrans-76.8127.9172.4-54.7-176000108.3L158 C159 M163 A165L158-I161 HydrophobicContact CD1-CD1 4.3Å; L158-I161 HydrophobicContact CD2-CD1 4.13Å; L158-I161 HydrophobicContact CG-CD1 3.62Å; L158-I161 HydrophobicContact CG-CG1 4.41Å; L158-I161 VanDerWaalsContact O-CB 3.28Å; L158-I161 WeakPolarHBondContact O-CB 3.37Å; L158-I161 VanDerWaalsContact O-CG1 3.29Å; L158-I161 WeakPolarHBondContact O-CG1 3.29Å; L158-I161 PolarHBondContact O-N 2.92Å; L158-I161 VanDerWaalsContact O-N 3.1Å; C159-I161 PolarHBondContact O-N 3.25Å; I161-M163 PolarHBondContact O-N 2.66Å; I161-A165 HydrophobicContact CG2-CB 3.4Å; I161-A165 VanDerWaalsContact CG2-CB 3.4Å
162P51.8Low57.8Low97 Ų97105.3 Ų105.363%0.6358%0.584SS**  trans-51.2131.3179.1-21.829.2000109.9K164 A165P162-K164 PolarHBondContact O-N 3.19Å; P162-A165 PolarHBondContact O-N 2.86Å
163M54.6Low57.7Low159 Ų159101.5 Ų101.578%0.78357%0.567SS**THydrogen-bonded Turntrans-44.4-14.4-179.4-128.1168.6-100.600115.3I161 A165 A166 F167I161-M163 PolarHBondContact O-N 2.66Å; M163-A165 VanDerWaalsContact C-N 3.28Å; M163-A165 PolarHBondContact O-N 3.43Å; M163-A166 PolarHBondContact O-N 2.76Å; M163-F167 VanDerWaalsContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CE2 3.47Å
164K51.1Low57.5Low196 Ų196100.9 Ų100.985%0.85256%0.563SS**THydrogen-bonded Turntrans-64.7-21.2169.8-67.6178.5178.8177.70114.4P162P162-K164 PolarHBondContact O-N 3.19Å
165A54.7Low57.6Low53 Ų53102.8 Ų102.844%0.43857%0.571SS.*SBendtrans-87.9-22.6175.400000113.7I161 P162 M163 F167 A168I161-A165 HydrophobicContact CG2-CB 3.4Å; I161-A165 VanDerWaalsContact CG2-CB 3.4Å; P162-A165 PolarHBondContact O-N 2.86Å; M163-A165 VanDerWaalsContact C-N 3.28Å; M163-A165 PolarHBondContact O-N 3.43Å; A165-F167 PolarHBondContact O-N 3.42Å; A165-A168 WeakPolarHBondContact O-CB 3.43Å; A165-A168 PolarHBondContact O-N 3.18Å
166A52.2Low57.9Low81 Ų81105.6 Ų105.667%0.66958%0.58SS**THydrogen-bonded Turntrans-70.4-11.3179.400000113.9M163M163-A166 PolarHBondContact O-N 2.76Å
167F53.1Low58Low165 Ų165103 Ų10372%0.72458%0.578SS**THydrogen-bonded Turntrans-94.21.9174.2-64.6-74.5000113.9M163 A165M163-F167 VanDerWaalsContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CE2 3.47Å; A165-F167 PolarHBondContact O-N 3.42Å
168A57.4Low58.3Low47 Ų4798.3 Ų98.339%0.38855%0.553SS.*SBendtrans-77.1138.2164.400000108.4A165 S170A165-A168 WeakPolarHBondContact O-CB 3.43Å; A165-A168 PolarHBondContact O-N 3.18Å; A168-S170 PolarHBondContact O-N 3.25Å
169L56.7Low58.9Low43 Ų4395.9 Ų95.923%0.22554%0.544CS..  trans-44.9140.5179.2-65.6175.1000111.1L173 K174 L178 K180 I183L169-L173 HydrophobicContact CB-CB 4.04Å; L169-L173 HydrophobicContact CB-CD1 4.07Å; L169-L173 HydrophobicContact CD1-CB 4.46Å; L169-L173 HydrophobicContact CD1-CD1 4.49Å; L169-L173 HydrophobicContact CD2-CD1 4.07Å; L169-L173 HydrophobicContact CG-CD1 4.45Å; L169-K174 WeakPolarHBondContact O-CE 3.27Å; L169-L178 VanDerWaalsContact CD1-O 3.27Å; L169-L178 WeakPolarHBondContact CD1-O 3.34Å; L169-K180 HydrophobicContact CD1-CB 4.4Å; L169-K180 HydrophobicContact CG-CB 4.43Å; L169-I183 HydrophobicContact CD1-CD1 3.76Å; L169-I183 HydrophobicContact CD2-CD1 4.07Å
170S62.8Low59.6Low65 Ų6597.7 Ų97.746%0.45554%0.541SS..  trans-46.1143.9-179.456.80000111.2A168 P172 L173 K174A168-S170 PolarHBondContact O-N 3.25Å; S170-P172 VanDerWaalsContact O-N 3.07Å; S170-L173 PolarHBondContact O-N 3.45Å; S170-K174 PolarHBondContact O-N 3.45Å
171T61Low60.2Low97 Ų9797.9 Ų97.960%0.59554%0.538SS*.Hα-helixtrans-39.3-42.6177.316.50000114.7L173 K174 H175T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 2.87Å; T171-K174 PolarHBondContact O-N 3.36Å; T171-H175 PolarHBondContact O-N 3.34Å; T171-H175 PolarHBondContact O-ND1 3.34Å
172P63.2Low60.8Low82 Ų8295.6 Ų95.653%0.53253%0.527SS..Hα-helixtrans-61.9-34.3176.318.7-31.9000114.7S170S170-P172 VanDerWaalsContact O-N 3.07Å
173L63.7Low61.7Low50 Ų5094.6 Ų94.626%0.26252%0.516SS..Hα-helixtrans-74.5-31.5-179.7-65.5173.8000112.4L169 S170 T171 L176 L178 I183L169-L173 HydrophobicContact CB-CB 4.04Å; L169-L173 HydrophobicContact CB-CD1 4.07Å; L169-L173 HydrophobicContact CD1-CB 4.46Å; L169-L173 HydrophobicContact CD1-CD1 4.49Å; L169-L173 HydrophobicContact CD2-CD1 4.07Å; L169-L173 HydrophobicContact CG-CD1 4.45Å; S170-L173 PolarHBondContact O-N 3.45Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 2.87Å; L173-L176 PolarHBondContact O-N 3.37Å; L173-L178 HydrophobicContact CB-CB 4.37Å; L173-L178 HydrophobicContact CD2-CD1 3.88Å; L173-L178 WeakPolarHBondContact O-CB 3.39Å; L173-L178 PolarHBondContact O-N 3.42Å; L173-I183 HydrophobicContact CD1-CD1 4.44Å
174K64.4Low62.3Low118 Ų11893.3 Ų93.351%0.51351%0.512SS..Hα-helixtrans-65.9-42175.3-70.9-179.4-178.2171.50112.2L169 S170 T171 L176 G177L169-K174 WeakPolarHBondContact O-CE 3.27Å; S170-K174 PolarHBondContact O-N 3.45Å; T171-K174 PolarHBondContact O-N 3.36Å; K174-L176 PolarHBondContact O-N 3.01Å; K174-G177 PolarHBondContact O-N 3.26Å
175H60.1Low63.1Low163 Ų16386.8 Ų86.876%0.75549%0.491SS*.Hα-helixtrans-64.6-22.8177.7-69.295.9000112.9T171 G177T171-H175 PolarHBondContact O-N 3.34Å; T171-H175 PolarHBondContact O-ND1 3.34Å; H175-G177 VanDerWaalsContact C-N 3.34Å
176L67.1Low63.7Low126 Ų12695 Ų9566%0.6651%0.511SS*.THydrogen-bonded Turntrans-89.97.5174.4-65.8167.4000113.4L173 K174 L178L173-L176 PolarHBondContact O-N 3.37Å; K174-L176 PolarHBondContact O-N 3.01Å; L176-L178 HydrophobicContact CB-CD1 4.19Å; L176-L178 HydrophobicContact CB-CG 4.04Å; L176-L178 PolarHBondContact O-N 3.27Å
177G64.8Low64.2Low50 Ų50100.3 Ų100.352%0.51551%0.513SS..THydrogen-bonded Turntrans69.112.4-177.900000114.2K174 H175 T179 N182K174-G177 PolarHBondContact O-N 3.26Å; H175-G177 VanDerWaalsContact C-N 3.34Å; G177-T179 PolarHBondContact O-N 3Å; G177-N182 PolarHBondContact O-ND2 3.48Å
178L66.3Low64.5Low35 Ų3599.3 Ų99.318%0.18351%0.509CS..  trans-84.9118.6-177.8-57.7179000109.7L169 L173 L176 F188L169-L178 VanDerWaalsContact CD1-O 3.27Å; L169-L178 WeakPolarHBondContact CD1-O 3.34Å; L173-L178 HydrophobicContact CB-CB 4.37Å; L173-L178 HydrophobicContact CD2-CD1 3.88Å; L173-L178 WeakPolarHBondContact O-CB 3.39Å; L173-L178 PolarHBondContact O-N 3.42Å; L176-L178 HydrophobicContact CB-CD1 4.19Å; L176-L178 HydrophobicContact CB-CG 4.04Å; L176-L178 PolarHBondContact O-N 3.27Å; L178-F188 HydrophobicContact CD2-CD1 3.7Å; L178-F188 HydrophobicContact CD2-CE1 3.85Å
179T69.1Low64.5Low66 Ų66101.7 Ų101.741%0.40552%0.523SS..  trans-105.3160.117368.40000110G177 M181 N182 I183G177-T179 PolarHBondContact O-N 3Å; T179-M181 PolarHBondContact O-N 3.14Å; T179-M181 VanDerWaalsContact O-N 3.08Å; T179-N182 PolarHBondContact N-ND2 3.23Å; T179-N182 WeakPolarHBondContact O-CB 3.38Å; T179-N182 PolarHBondContact O-N 3.17Å; T179-N182 PolarHBondContact OG1-N 3.05Å; T179-N182 PolarHBondContact OG1-ND2 3.08Å; T179-I183 PolarHBondContact O-N 3.31Å
180K69.6Low64.4Low135 Ų135107.6 Ų107.659%0.58755%0.554SS**Hα-helixtrans-57.2-28.6177.5-166.5174.7-177.5174.90111.5L169 N184L169-K180 HydrophobicContact CD1-CB 4.4Å; L169-K180 HydrophobicContact CG-CB 4.43Å; K180-N184 WeakPolarHBondContact O-CB 3.48Å; K180-N184 PolarHBondContact O-N 3.08Å; K180-N184 VanDerWaalsContact O-N 3.14Å; K180-N184 PolarHBondContact O-ND2 2.64Å
181M66.8Low63.6Low148 Ų148114.1 Ų114.173%0.72960%0.597SS**Hα-helixtrans-68.1-43174.4-159.6-173.8-33.700112.4T179 S185T179-M181 PolarHBondContact O-N 3.14Å; T179-M181 VanDerWaalsContact O-N 3.08Å; M181-S185 VanDerWaalsContact O-CB 3.31Å; M181-S185 WeakPolarHBondContact O-CB 3.31Å; M181-S185 PolarHBondContact O-N 3.3Å; M181-S185 VanDerWaalsContact O-N 3.08Å; M181-S185 PolarHBondContact O-OG 2.94Å
182N66.6Low63.7Low31 Ų31115 Ų11517%0.16660%0.597CS.*Hα-helixtrans-65.4-41.3178.6-68.4-32.9000111.9G177 T179 S185 R186 R187G177-N182 PolarHBondContact O-ND2 3.48Å; T179-N182 PolarHBondContact N-ND2 3.23Å; T179-N182 WeakPolarHBondContact O-CB 3.38Å; T179-N182 PolarHBondContact O-N 3.17Å; T179-N182 PolarHBondContact OG1-N 3.05Å; T179-N182 PolarHBondContact OG1-ND2 3.08Å; N182-S185 PolarHBondContact O-OG 3.32Å; N182-R186 PolarHBondContact O-N 3.24Å; N182-R186 VanDerWaalsContact O-N 3.08Å; N182-R187 PolarHBondContact O-N 3.48Å
183I70.7Confident63.7Low77 Ų77116.7 Ų116.740%0.39560%0.601SS.*Hα-helixtrans-67.8-48.6178.9-61.2175.2000110.9L169 L173 T179 S185 R186L169-I183 HydrophobicContact CD1-CD1 3.76Å; L169-I183 HydrophobicContact CD2-CD1 4.07Å; L173-I183 HydrophobicContact CD1-CD1 4.44Å; T179-I183 PolarHBondContact O-N 3.31Å; I183-S185 PolarHBondContact O-N 3.08Å; I183-R186 PolarHBondContact O-N 3.5Å
184N66.9Low63.7Low131 Ų131120.4 Ų120.470%0.70162%0.62SS**Hα-helixtrans-67.9-24.5-178.9-76.3-14.2000113.2K180K180-N184 WeakPolarHBondContact O-CB 3.48Å; K180-N184 PolarHBondContact O-N 3.08Å; K180-N184 VanDerWaalsContact O-N 3.14Å; K180-N184 PolarHBondContact O-ND2 2.64Å
185S68.2Low63.7Low60 Ų60120.6 Ų120.642%0.4263%0.626SS.*Hα-helixtrans-990178.862.90000114.3M181 N182 I183 R187M181-S185 VanDerWaalsContact O-CB 3.31Å; M181-S185 WeakPolarHBondContact O-CB 3.31Å; M181-S185 PolarHBondContact O-N 3.3Å; M181-S185 VanDerWaalsContact O-N 3.08Å; M181-S185 PolarHBondContact O-OG 2.94Å; N182-S185 PolarHBondContact O-OG 3.32Å; I183-S185 PolarHBondContact O-N 3.08Å; S185-R187 PolarHBondContact O-N 3.11Å; S185-R187 VanDerWaalsContact O-N 3.11Å
186R68Low63.9Low224 Ų224117.9 Ų117.985%0.84562%0.618SS**THydrogen-bonded Turntrans48.931.9-174.9-59.4-175.2178.6-141.90.1113.6N182 I183N182-R186 PolarHBondContact O-N 3.24Å; N182-R186 VanDerWaalsContact O-N 3.08Å; I183-R186 PolarHBondContact O-N 3.5Å
187R62.8Low63.7Low193 Ų193117.4 Ų117.473%0.72862%0.615SS**  trans-112.8102.1-179-79.1179.1155.1-151.1-7.6108.4N182 S185N182-R187 PolarHBondContact O-N 3.48Å; S185-R187 PolarHBondContact O-N 3.11Å; S185-R187 VanDerWaalsContact O-N 3.11Å
188F59Low63.6Low145 Ų145122.2 Ų122.264%0.63662%0.622SS**  trans-83.9114.9167.7-58.5-79.8000107.5L178L178-F188 HydrophobicContact CD2-CD1 3.7Å; L178-F188 HydrophobicContact CD2-CE1 3.85Å
189S56.6Low63.4Low97 Ų97128.9 Ų128.968%0.67866%0.656SS**  trans-86.9109.1162.257.10000107.4
190L55.7Low62.9Low167 Ų167134.2 Ų134.287%0.87468%0.677SS**  trans-85.7129.6168-66.7169.2000107.9
191C44.2Very low62.3Low202 Ų202134.1 Ų134.1100%1.36569%0.685SS**  trans-87.80157.8-70.30000108.6

Retrieved 191 of 191 residues in 130.6 ms (Link to these results)