A0A077Z026_TRITR Loading...

Ion channel family protein

AlphaFold DB , UniProt , Accession A0A077Z026, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 666 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
1M37.6Very low58.6Low231 Ų231118.5 Ų118.5100%1.13866%0.659SS**  0103.30-111.4-176.2174.400106.2R3M1-R3 PolarHBondContact O-N 2.94Å
2N40.9Very low61.6Low152 Ų152115.5 Ų115.581%0.81365%0.647SS**  trans-9576.1-152.7-57.513.7000109.9S4N2-S4 PolarHBondContact O-N 3.36Å
3R43.7Very low64Low148 Ų148115.5 Ų115.556%0.55865%0.651SS**  trans-77.853174.5-166.4-175.7-77.1-178.21.1110.3M1 Y5 D168M1-R3 PolarHBondContact O-N 2.94Å; R3-Y5 WeakPolarHBondContact O-CD2 3.32Å; R3-Y5 WeakPolarHBondContact O-CE2 3.38Å; R3-D168 IonicContact CZ-OD1 3.91Å; R3-D168 IonicContact NH1-OD1 2.66Å; R3-D168 PolarHBondContact NH1-OD1 2.93Å; R3-D168 IonicContact NH1-OD2 3.44Å; R3-D168 PolarHBondContact NH1-OD2 3.18Å
4S46.7Very low66.2Low92 Ų92113 Ų11364%0.64365%0.645SS**  trans-67132.3174-57.10000109.6N2 G6N2-S4 PolarHBondContact O-N 3.36Å; S4-G6 VanDerWaalsContact C-N 3.33Å; S4-G6 PolarHBondContact O-N 3.41Å
5Y49.4Very low68Low70 Ų70106.3 Ų106.328%0.27561%0.61SS.*SBendtrans-86.59.3-153.8-68.8-99000116.4R3 N7 G163 D164 V166R3-Y5 WeakPolarHBondContact O-CD2 3.32Å; R3-Y5 WeakPolarHBondContact O-CE2 3.38Å; Y5-N7 PolarHBondContact O-N 3.4Å; Y5-G163 WeakPolarHBondContact CB-O 3.35Å; Y5-G163 WeakPolarHBondContact CD2-O 3.48Å; Y5-D164 VanDerWaalsContact CE2-C 3.44Å; Y5-D164 WeakPolarHBondContact CE2-O 3.38Å; Y5-V166 HydrophobicContact CD1-CB 3.52Å; Y5-V166 HydrophobicContact CD1-CG2 3.5Å; Y5-V166 HydrophobicContact CE1-CB 3.54Å; Y5-V166 HydrophobicContact CE1-CG2 4Å; Y5-V166 HydrophobicContact CG-CB 4.48Å; Y5-V166 HydrophobicContact CG-CG2 4.03Å
6G54.1Low69.5Low76 Ų76109.1 Ų109.178%0.78461%0.608SS**THydrogen-bonded Turntrans-69.226.2156.500000113.4S4S4-G6 VanDerWaalsContact C-N 3.33Å; S4-G6 PolarHBondContact O-N 3.41Å
7N56.1Low71Confident90 Ų90107.1 Ų107.148%0.48160%0.599SS.*THydrogen-bonded Turntrans-81.9-24.9-164.865.2-0000114.1Y5Y5-N7 PolarHBondContact O-N 3.4Å
8V69.3Low72.3Confident139 Ų139107.8 Ų107.884%0.84260%0.6SS**SBendtrans-105.579.4173.3-173.60000109.8
9A75.6Confident73.4Confident71 Ų71105.7 Ų105.759%0.58759%0.591SS**  trans-109.3150.6169.800000111K11A9-K11 PolarHBondContact O-N 2.99Å
10C83.6Confident74.5Confident47 Ų47104.6 Ų104.632%0.31859%0.587SS.*  trans-63.8106.2176.4-69.70000111.3R16 T19C10-R16 HydrophobicContact CB-CG 3.86Å; C10-R16 WeakPolarHBondContact O-CG 3.31Å; C10-R16 PolarHBondContact O-NE 3.5Å; C10-T19 VanDerWaalsContact SG-CG2 3.56Å
11K88Confident75.5Confident187 Ų187105.6 Ų105.681%0.81359%0.585SS**  trans-74.9-30.6177-63.4-174.3-179.8-179.40112.6A9A9-K11 PolarHBondContact O-N 2.99Å
12T94.7Very high78.2Confident83 Ų83103.4 Ų103.451%0.50957%0.565SS.*SBendtrans-82.8144.9178.553.50000111.9S14 G15 R16T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.21Å; T12-G15 PolarHBondContact O-N 2.94Å; T12-G15 PolarHBondContact OG1-N 3.13Å; T12-R16 WeakPolarHBondContact O-CG 3.39Å; T12-R16 PolarHBondContact O-N 3.41Å; T12-R16 VanDerWaalsContact O-N 3.1Å
13V92.4Very high80.7Confident116 Ų11698 Ų9870%0.70354%0.541SS*.Hα-helixtrans-60.6-45176-178.20000110.9G15 R16 V17V13-G15 VanDerWaalsContact C-N 3.33Å; V13-G15 PolarHBondContact O-N 3.34Å; V13-R16 PolarHBondContact O-N 3.36Å; V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.22Å
14S94.2Very high83.2Confident80 Ų8096.4 Ų96.456%0.55954%0.543SS*.Hα-helixtrans-58.8-41174.850.40000112.8T12 V17 L18T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.21Å; S14-V17 PolarHBondContact O-N 3.15Å; S14-L18 WeakPolarHBondContact O-CB 3.43Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.29Å; S14-L18 PolarHBondContact O-N 3.22Å
15G93.2Very high85.5Confident13 Ų1397.7 Ų97.713%0.13454%0.542CS..Hα-helixtrans-61-44.6175.500000112.2T12 V13 L18 T19T12-G15 PolarHBondContact O-N 2.94Å; T12-G15 PolarHBondContact OG1-N 3.13Å; V13-G15 VanDerWaalsContact C-N 3.33Å; V13-G15 PolarHBondContact O-N 3.34Å; G15-L18 PolarHBondContact O-N 3.14Å; G15-T19 PolarHBondContact O-N 3.39Å; G15-T19 PolarHBondContact O-OG1 2.99Å
16R92.5Very high87.6Confident151 Ų15195.3 Ų95.357%0.5754%0.538SS*.Hα-helixtrans-61.5-45.7177.3-66.7175.3-173.5-175.50.1112.1C10 T12 V13 T19 V20C10-R16 HydrophobicContact CB-CG 3.86Å; C10-R16 WeakPolarHBondContact O-CG 3.31Å; C10-R16 PolarHBondContact O-NE 3.5Å; T12-R16 WeakPolarHBondContact O-CG 3.39Å; T12-R16 PolarHBondContact O-N 3.41Å; T12-R16 VanDerWaalsContact O-N 3.1Å; V13-R16 PolarHBondContact O-N 3.36Å; R16-T19 WeakPolarHBondContact CA-OG1 3.5Å; R16-T19 PolarHBondContact O-N 2.68Å; R16-T19 PolarHBondContact O-OG1 3.34Å; R16-V20 PolarHBondContact O-N 3.49Å; R16-V20 VanDerWaalsContact O-N 3.17Å
17V95.2Very high89.3Confident75 Ų7596.5 Ų96.546%0.45553%0.526SS..Hα-helixtrans-60.6-45.9176.6172.80000110.9V13 S14 T19 V20 F21V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.22Å; S14-V17 PolarHBondContact O-N 3.15Å; V17-T19 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 2.97Å; V17-F21 HydrophobicContact CG1-CD2 3.96Å; V17-F21 HydrophobicContact CG1-CE2 3.64Å; V17-F21 VanDerWaalsContact O-CD2 3.31Å; V17-F21 WeakPolarHBondContact O-CD2 3.33Å; V17-F21 PolarHBondContact O-N 3.36Å
18L95Very high91.1Very high119 Ų11995.5 Ų95.562%0.62352%0.524SS*.Hα-helixtrans-63.2-37.6176.9-71.1170.3000112.7S14 G15 V20 F21 Y22S14-L18 WeakPolarHBondContact O-CB 3.43Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.29Å; S14-L18 PolarHBondContact O-N 3.22Å; G15-L18 PolarHBondContact O-N 3.14Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-V20 PolarHBondContact O-N 2.65Å; L18-F21 PolarHBondContact O-N 2.64Å; L18-Y22 WeakPolarHBondContact O-CB 3.45Å; L18-Y22 PolarHBondContact O-N 2.7Å
19T92.6Very high92.2Very high68 Ų6893.6 Ų93.642%0.41751%0.509SS..Hα-helixtrans-66-30.3175.245.30000113.6C10 G15 R16 V17 A23C10-T19 VanDerWaalsContact SG-CG2 3.56Å; G15-T19 PolarHBondContact O-N 3.39Å; G15-T19 PolarHBondContact O-OG1 2.99Å; R16-T19 WeakPolarHBondContact CA-OG1 3.5Å; R16-T19 PolarHBondContact O-N 2.68Å; R16-T19 PolarHBondContact O-OG1 3.34Å; V17-T19 PolarHBondContact O-N 3Å; T19-A23 WeakPolarHBondContact O-CB 3.47Å; T19-A23 PolarHBondContact O-N 2.91Å
20V94.2Very high92.8Very high84 Ų8494.2 Ų94.251%0.50951%0.505SS..Hα-helixtrans-67.8-49.3174.41730000110.5R16 V17 L18 Y22 A23 L24R16-V20 PolarHBondContact O-N 3.49Å; R16-V20 VanDerWaalsContact O-N 3.17Å; V17-V20 PolarHBondContact O-N 2.97Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-V20 PolarHBondContact O-N 2.65Å; V20-Y22 VanDerWaalsContact C-N 3.31Å; V20-Y22 PolarHBondContact O-N 3.31Å; V20-A23 PolarHBondContact O-N 3.29Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å; V20-L24 PolarHBondContact O-N 3.01Å
21F95.7Very high92.9Very high126 Ų12697 Ų9755%0.55352%0.516SS*.Hα-helixtrans-60.6-39.3175.3-73.1-65.8000112.7V17 L18 I25V17-F21 HydrophobicContact CG1-CD2 3.96Å; V17-F21 HydrophobicContact CG1-CE2 3.64Å; V17-F21 VanDerWaalsContact O-CD2 3.31Å; V17-F21 WeakPolarHBondContact O-CD2 3.33Å; V17-F21 PolarHBondContact O-N 3.36Å; L18-F21 PolarHBondContact O-N 2.64Å; F21-I25 PolarHBondContact O-N 2.93Å
22Y94.8Very high93Very high184 Ų18492.8 Ų92.872%0.72251%0.506SS*.Hα-helixtrans-62.7-43.3174.9178.7-98.7000112.4L18 V20 G26L18-Y22 WeakPolarHBondContact O-CB 3.45Å; L18-Y22 PolarHBondContact O-N 2.7Å; V20-Y22 VanDerWaalsContact C-N 3.31Å; V20-Y22 PolarHBondContact O-N 3.31Å; Y22-G26 WeakPolarHBondContact O-CA 3.47Å; Y22-G26 PolarHBondContact O-N 3.11Å
23A93.7Very high92.6Very high38 Ų3895.8 Ų95.831%0.31451%0.508SS..Hα-helixtrans-66.7-43.3178.200000112.4T19 V20 I25 G26 I27T19-A23 WeakPolarHBondContact O-CB 3.47Å; T19-A23 PolarHBondContact O-N 2.91Å; V20-A23 PolarHBondContact O-N 3.29Å; A23-I25 VanDerWaalsContact C-N 3.31Å; A23-I25 PolarHBondContact O-N 3.14Å; A23-G26 PolarHBondContact O-N 3.09Å; A23-I27 HydrophobicContact CB-CD1 4.22Å; A23-I27 WeakPolarHBondContact O-CB 3.47Å; A23-I27 WeakPolarHBondContact O-CG1 3.4Å; A23-I27 PolarHBondContact O-N 3.38Å
24L95.3Very high92.2Very high115 Ų11592.4 Ų92.460%0.60249%0.486SS*.Hα-helixtrans-59.1-37.9179.5-74.3169.8000113V20 P28V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å; V20-L24 PolarHBondContact O-N 3.01Å; L24-P28 WeakPolarHBondContact O-CD 3.4Å; L24-P28 WeakPolarHBondContact O-CG 3.33Å
25I95.2Very high91.6Very high120 Ų12090.6 Ų90.662%0.61547%0.472SS*.Hα-helixtrans-87.2-39.9177.5-61170.8000111F21 A23 L29F21-I25 PolarHBondContact O-N 2.93Å; A23-I25 VanDerWaalsContact C-N 3.31Å; A23-I25 PolarHBondContact O-N 3.14Å; I25-L29 WeakPolarHBondContact O-CB 3.27Å; I25-L29 PolarHBondContact O-N 3.11Å
26G93.3Very high91.2Very high19 Ų1994.1 Ų94.120%0.19649%0.485CS..Hα-helixtrans-70.5-40.9-172.600000114.2Y22 A23 L29 V30Y22-G26 WeakPolarHBondContact O-CA 3.47Å; Y22-G26 PolarHBondContact O-N 3.11Å; A23-G26 PolarHBondContact O-N 3.09Å; G26-L29 PolarHBondContact O-N 3.42Å; G26-V30 WeakPolarHBondContact O-CG2 3.33Å; G26-V30 PolarHBondContact O-N 3.07Å
27I91.1Very high90.8Very high102 Ų10290.1 Ų90.152%0.52347%0.472SS..Hα-helixtrans-65.4-50.4-177.2-65.6168.2000111.2A23 L29 V30 L31A23-I27 HydrophobicContact CB-CD1 4.22Å; A23-I27 WeakPolarHBondContact O-CB 3.47Å; A23-I27 WeakPolarHBondContact O-CG1 3.4Å; A23-I27 PolarHBondContact O-N 3.38Å; I27-L29 VanDerWaalsContact C-N 3.31Å; I27-L29 PolarHBondContact O-N 2.89Å; I27-V30 PolarHBondContact O-N 3.12Å; I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.49Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 2.86Å
28P93.5Very high90.2Very high68 Ų6886.9 Ų86.944%0.44245%0.454SS..Hα-helixtrans-60.5-36.2174.1-24.935.8000113.7L24 L31 T32L24-P28 WeakPolarHBondContact O-CD 3.4Å; L24-P28 WeakPolarHBondContact O-CG 3.33Å; P28-L31 PolarHBondContact O-N 3.34Å; P28-T32 WeakPolarHBondContact O-CB 3.5Å; P28-T32 WeakPolarHBondContact O-CG2 3.31Å; P28-T32 PolarHBondContact O-N 3.03Å; P28-T32 PolarHBondContact O-OG1 3.42Å
29L92Very high89.7Confident99 Ų9988.3 Ų88.352%0.51845%0.451SS..Hα-helixtrans-66.1-41.3177.1-166.6158.4000111.5I25 G26 I27 T32 R33I25-L29 WeakPolarHBondContact O-CB 3.27Å; I25-L29 PolarHBondContact O-N 3.11Å; G26-L29 PolarHBondContact O-N 3.42Å; I27-L29 VanDerWaalsContact C-N 3.31Å; I27-L29 PolarHBondContact O-N 2.89Å; L29-T32 PolarHBondContact O-OG1 3Å; L29-T32 VanDerWaalsContact O-OG1 3.09Å; L29-R33 HydrophobicContact CD2-CG 4.44Å; L29-R33 VanDerWaalsContact O-CG 3.22Å; L29-R33 WeakPolarHBondContact O-CG 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å
30V87.6Confident89.3Confident84 Ų8488.8 Ų88.851%0.50945%0.454SS..Hα-helixtrans-66.2-46.3173.7170.80000111G26 I27 T32 R33 L34G26-V30 WeakPolarHBondContact O-CG2 3.33Å; G26-V30 PolarHBondContact O-N 3.07Å; I27-V30 PolarHBondContact O-N 3.12Å; V30-T32 PolarHBondContact O-N 3.44Å; V30-R33 PolarHBondContact O-N 2.82Å; V30-R33 VanDerWaalsContact O-N 3.16Å; V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 HydrophobicContact CG1-CG 4.14Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.48Å
31L87.1Confident88.8Confident107 Ų10785.8 Ų85.856%0.5644%0.435SS*.Hα-helixtrans-61.5-40.3-179.6-71.3172.6000112.9I27 P28 R33 L34 P35I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.49Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.25Å; I27-L31 PolarHBondContact O-N 2.86Å; P28-L31 PolarHBondContact O-N 3.34Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.06Å; L31-L34 HydrophobicContact CD2-CD1 4.4Å; L31-P35 WeakPolarHBondContact O-CD 3.39Å
32T88.7Confident88.2Confident98 Ų9881.2 Ų81.260%0.60141%0.414SS*.Hα-helixtrans-69.8-26.2176.548.50000113.4P28 L29 V30P28-T32 WeakPolarHBondContact O-CB 3.5Å; P28-T32 WeakPolarHBondContact O-CG2 3.31Å; P28-T32 PolarHBondContact O-N 3.03Å; P28-T32 PolarHBondContact O-OG1 3.42Å; L29-T32 PolarHBondContact O-OG1 3Å; L29-T32 VanDerWaalsContact O-OG1 3.09Å; V30-T32 PolarHBondContact O-N 3.44Å
33R87.9Confident87.6Confident146 Ų14676.3 Ų76.355%0.55140%0.4SS*.Hα-helixtrans-91.5-23.2179-63.7-60.3-168.8142.97114.5L29 V30 L31 E36 F37L29-R33 HydrophobicContact CD2-CG 4.44Å; L29-R33 VanDerWaalsContact O-CG 3.22Å; L29-R33 WeakPolarHBondContact O-CG 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å; V30-R33 PolarHBondContact O-N 2.82Å; V30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.06Å; R33-E36 WeakPolarHBondContact CD-OE2 3.44Å; R33-E36 IonicContact CZ-OE2 3.66Å; R33-E36 IonicContact NE-OE2 3.77Å; R33-E36 IonicContact NH1-OE1 3.92Å; R33-E36 IonicContact NH1-OE2 2.77Å; R33-E36 PolarHBondContact NH1-OE2 3.48Å; R33-E36 WeakPolarHBondContact O-CB 3.43Å; R33-E36 PolarHBondContact O-N 3.42Å; R33-F37 PolarHBondContact O-N 2.88Å; R33-F37 VanDerWaalsContact O-N 3.12Å
34L82.7Confident87.2Confident44 Ų4477.3 Ų77.323%0.2340%0.402CS..Hα-helixtrans-55.2-41.6177-84.4167.4000113.4V30 L31 E36 F37 G38V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 HydrophobicContact CG1-CG 4.14Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.48Å; L31-L34 HydrophobicContact CD2-CD1 4.4Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.98Å; L34-F37 PolarHBondContact O-N 3.49Å; L34-G38 PolarHBondContact O-N 3.16Å
35P81.8Confident86.6Confident42 Ų4271.9 Ų71.927%0.27337%0.374SS..Hα-helixtrans-65.6-26.6173.3-25.535.3000115.3L31 R39L31-P35 WeakPolarHBondContact O-CD 3.39Å; P35-R39 VanDerWaalsContact O-CG 3.3Å; P35-R39 WeakPolarHBondContact O-CG 3.47Å; P35-R39 PolarHBondContact O-N 3.15Å; P35-R39 PolarHBondContact O-NE 3.48Å
36E85.4Confident85.9Confident88 Ų8866.6 Ų66.641%0.41135%0.347SS..Hα-helixtrans-68.2-49.6170.1-71.2-178.9157.900110.3R33 L34 G38 R39 V40R33-E36 WeakPolarHBondContact CD-OE2 3.44Å; R33-E36 IonicContact CZ-OE2 3.66Å; R33-E36 IonicContact NE-OE2 3.77Å; R33-E36 IonicContact NH1-OE1 3.92Å; R33-E36 IonicContact NH1-OE2 2.77Å; R33-E36 PolarHBondContact NH1-OE2 3.48Å; R33-E36 WeakPolarHBondContact O-CB 3.43Å; R33-E36 PolarHBondContact O-N 3.42Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.98Å; E36-G38 PolarHBondContact O-N 3.5Å; E36-R39 VanDerWaalsContact CG-NH2 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.45Å; E36-R39 PolarHBondContact O-N 3.08Å; E36-V40 PolarHBondContact O-N 3.28Å
37F84.4Confident85.4Confident66 Ų6673.5 Ų73.529%0.28937%0.367SS..Hα-helixtrans-69.5-35.2-177.5-164.8-133.4000112.5R33 L34 V40 M41 I181 I182 S185R33-F37 PolarHBondContact O-N 2.88Å; R33-F37 VanDerWaalsContact O-N 3.12Å; L34-F37 PolarHBondContact O-N 3.49Å; F37-V40 PolarHBondContact O-N 3.48Å; F37-M41 HydrophobicContact CE1-CE 3.96Å; F37-M41 HydrophobicContact CE2-CE 3.66Å; F37-M41 HydrophobicContact CZ-CE 3.3Å; F37-M41 PolarHBondContact O-N 3.03Å; F37-I181 HydrophobicContact CD1-CG2 4.15Å; F37-I181 HydrophobicContact CE1-CG2 3.51Å; F37-I181 WeakPolarHBondContact CE1-O 3.42Å; F37-I181 HydrophobicContact CZ-CG2 4.16Å; F37-I182 HydrophobicContact CZ-CG1 4.18Å; F37-S185 WeakPolarHBondContact CD1-OG 3.39Å; F37-S185 WeakPolarHBondContact CE1-OG 3.38Å
38G82.3Confident85.1Confident7 Ų771 Ų717%0.07235%0.354CS..Hα-helixtrans-61.8-38.6170.500000113.2L34 E36 V40 M41 F42 V189L34-G38 PolarHBondContact O-N 3.16Å; E36-G38 PolarHBondContact O-N 3.5Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.2Å; G38-M41 PolarHBondContact O-N 3.29Å; G38-F42 WeakPolarHBondContact O-CB 3.49Å; G38-F42 PolarHBondContact O-N 3.17Å; G38-V189 WeakPolarHBondContact O-CG2 3.49Å
39R83.6Confident84.5Confident149 Ų14968.8 Ų68.856%0.56234%0.342SS*.Hα-helixtrans-63.2-37.9173.5-78.7177.4-73.7-180-1.1112.4P35 E36 L43P35-R39 VanDerWaalsContact O-CG 3.3Å; P35-R39 WeakPolarHBondContact O-CG 3.47Å; P35-R39 PolarHBondContact O-N 3.15Å; P35-R39 PolarHBondContact O-NE 3.48Å; E36-R39 VanDerWaalsContact CG-NH2 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.45Å; E36-R39 PolarHBondContact O-N 3.08Å; R39-L43 PolarHBondContact O-N 3.25Å
40V85.9Confident84Confident78 Ų7866.8 Ų66.847%0.47333%0.332SS..Hα-helixtrans-67.1-45174178.50000111E36 F37 G38 F42 L43 V44E36-V40 PolarHBondContact O-N 3.28Å; F37-V40 PolarHBondContact O-N 3.48Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.2Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 PolarHBondContact O-N 3.47Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 3.12Å; V40-V44 WeakPolarHBondContact O-CG2 3.49Å; V40-V44 PolarHBondContact O-N 3.09Å; V40-V44 VanDerWaalsContact O-N 3.08Å
41M83Confident83.8Confident22 Ų2266.6 Ų66.611%0.10833%0.325CS..Hα-helixtrans-65-35.1176.7-71.5-57.8165.900113F37 G38 L43 V44 I45 I182 S185 L186 V189F37-M41 HydrophobicContact CE1-CE 3.96Å; F37-M41 HydrophobicContact CE2-CE 3.66Å; F37-M41 HydrophobicContact CZ-CE 3.3Å; F37-M41 PolarHBondContact O-N 3.03Å; G38-M41 PolarHBondContact O-N 3.29Å; M41-L43 VanDerWaalsContact C-N 3.34Å; M41-L43 PolarHBondContact O-N 2.97Å; M41-V44 PolarHBondContact O-N 3.17Å; M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 3.36Å; M41-I182 HydrophobicContact CE-CB 4.23Å; M41-I182 HydrophobicContact CE-CG1 3.89Å; M41-I182 HydrophobicContact CE-CG2 3.78Å; M41-I182 HydrophobicContact SD-CG2 4.23Å; M41-S185 WeakPolarHBondContact CG-OG 3.36Å; M41-L186 HydrophobicContact CB-CD2 4.21Å; M41-L186 HydrophobicContact CG-CD2 4.48Å; M41-V189 HydrophobicContact CB-CG2 4.27Å
42F82.6Confident83.6Confident29 Ų2965.1 Ų65.113%0.12732%0.321CS..Hα-helixtrans-62.4-40.3173.4-179.4-105.2000112.2G38 V40 V44 I45 D46 F113 V118 V189 L193G38-F42 WeakPolarHBondContact O-CB 3.49Å; G38-F42 PolarHBondContact O-N 3.17Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 PolarHBondContact O-N 3.47Å; F42-V44 VanDerWaalsContact C-N 3.34Å; F42-V44 PolarHBondContact O-N 3.26Å; F42-I45 PolarHBondContact O-N 3.33Å; F42-D46 VanDerWaalsContact O-CB 3.29Å; F42-D46 WeakPolarHBondContact O-CB 3.47Å; F42-D46 PolarHBondContact O-N 3.14Å; F42-F113 HydrophobicContact CD1-CD1 4.18Å; F42-F113 HydrophobicContact CE1-CD1 4.3Å; F42-V118 HydrophobicContact CE2-CB 4Å; F42-V118 HydrophobicContact CE2-CG2 3.65Å; F42-V118 HydrophobicContact CZ-CB 4.4Å; F42-V118 HydrophobicContact CZ-CG2 3.75Å; F42-V189 HydrophobicContact CB-CG1 4.27Å; F42-V189 HydrophobicContact CB-CG2 4.24Å; F42-V189 HydrophobicContact CD2-CG1 3.99Å; F42-L193 HydrophobicContact CD2-CD1 4.28Å; F42-L193 HydrophobicContact CE2-CD1 4.16Å; F42-L193 HydrophobicContact CE2-CD2 3.93Å; F42-L193 HydrophobicContact CE2-CG 4.48Å
43L83.6Confident83.2Confident82 Ų8267 Ų6743%0.42932%0.32SS..Hα-helixtrans-61.9-39.8171.6-80.9172000112.6R39 V40 M41 W47 F113R39-L43 PolarHBondContact O-N 3.25Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 3.12Å; M41-L43 VanDerWaalsContact C-N 3.34Å; M41-L43 PolarHBondContact O-N 2.97Å; L43-W47 VanDerWaalsContact O-CB 3.25Å; L43-W47 WeakPolarHBondContact O-CB 3.49Å; L43-W47 PolarHBondContact O-N 3.43Å; L43-F113 HydrophobicContact CD1-CE1 4.25Å; L43-F113 HydrophobicContact CD1-CZ 4.11Å; L43-F113 HydrophobicContact CD2-CE1 3.58Å; L43-F113 HydrophobicContact CD2-CZ 3.81Å; L43-F113 HydrophobicContact CG-CE1 3.76Å; L43-F113 HydrophobicContact CG-CZ 4.09Å
44V84.2Confident82.8Confident58 Ų5865 Ų6535%0.35232%0.316SS..Hα-helixtrans-68.1-45.1177.5173.70000111.1V40 M41 F42 W47 I48V40-V44 WeakPolarHBondContact O-CG2 3.49Å; V40-V44 PolarHBondContact O-N 3.09Å; V40-V44 VanDerWaalsContact O-N 3.08Å; M41-V44 PolarHBondContact O-N 3.17Å; F42-V44 VanDerWaalsContact C-N 3.34Å; F42-V44 PolarHBondContact O-N 3.26Å; V44-W47 PolarHBondContact O-N 3.37Å; V44-I48 HydrophobicContact CG1-CD1 3.71Å; V44-I48 HydrophobicContact CG1-CG1 4.4Å; V44-I48 WeakPolarHBondContact O-CB 3.33Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.24Å
45I83.1Confident82.7Confident1 Ų165.7 Ų65.71%0.00533%0.328CS..Hα-helixtrans-60.4-47.6174.8-67.3160000110.4M41 F42 I48 A49 V118 F126 L186 V189M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 3.36Å; F42-I45 PolarHBondContact O-N 3.33Å; I45-I48 PolarHBondContact O-N 3.49Å; I45-A49 WeakPolarHBondContact O-CB 3.47Å; I45-A49 PolarHBondContact O-N 3.08Å; I45-V118 HydrophobicContact CG2-CG1 4.32Å; I45-F126 HydrophobicContact CD1-CD1 4.44Å; I45-F126 HydrophobicContact CG1-CD1 3.87Å; I45-F126 HydrophobicContact CG1-CE1 4.08Å; I45-F126 HydrophobicContact CG1-CG 4.32Å; I45-L186 HydrophobicContact CD1-CD2 3.64Å; I45-L186 HydrophobicContact CG1-CD2 4.04Å; I45-V189 HydrophobicContact CD1-CB 4.4Å; I45-V189 HydrophobicContact CD1-CG1 3.79Å
46D79.7Confident82.8Confident10 Ų1068.1 Ų68.15%0.05334%0.338CS..Hα-helixtrans-62.7-45178.217170.1000111.3F42 A49 N50 R116 V118F42-D46 VanDerWaalsContact O-CB 3.29Å; F42-D46 WeakPolarHBondContact O-CB 3.47Å; F42-D46 PolarHBondContact O-N 3.14Å; D46-A49 PolarHBondContact O-N 3.38Å; D46-N50 VanDerWaalsContact CG-ND2 3.28Å; D46-N50 WeakPolarHBondContact O-CB 3.38Å; D46-N50 PolarHBondContact O-N 2.91Å; D46-N50 PolarHBondContact O-ND2 2.99Å; D46-N50 PolarHBondContact OD1-ND2 3.3Å; D46-R116 VanDerWaalsContact CG-CZ 3.47Å; D46-R116 VanDerWaalsContact CG-NE 3.29Å; D46-R116 WeakPolarHBondContact OD1-CD 3.5Å; D46-R116 IonicContact OD1-CZ 3.39Å; D46-R116 IonicContact OD1-NE 2.71Å; D46-R116 PolarHBondContact OD1-NE 2.89Å; D46-R116 IonicContact OD1-NH2 3.67Å; D46-R116 WeakPolarHBondContact OD2-CD 3.23Å; D46-R116 IonicContact OD2-CZ 2.78Å; D46-R116 IonicContact OD2-NE 3.95Å; D46-R116 PolarHBondContact OD2-NE 3.3Å; D46-R116 IonicContact OD2-NH1 2.94Å; D46-R116 PolarHBondContact OD2-NH1 2.88Å; D46-R116 IonicContact OD2-NH2 3.19Å; D46-R116 PolarHBondContact OD2-NH2 3.42Å; D46-V118 HydrophobicContact CB-CG2 3.93Å
47W83.8Confident82.5Confident163 Ų16366.5 Ų66.562%0.61733%0.334SS*.Hα-helixtrans-59.3-50.7175.8177.871.8000111.7L43 V44 A49 N50 E51L43-W47 VanDerWaalsContact O-CB 3.25Å; L43-W47 WeakPolarHBondContact O-CB 3.49Å; L43-W47 PolarHBondContact O-N 3.43Å; V44-W47 PolarHBondContact O-N 3.37Å; W47-A49 PolarHBondContact O-N 3.04Å; W47-N50 PolarHBondContact O-N 2.96Å; W47-E51 WeakPolarHBondContact O-CB 3.27Å; W47-E51 PolarHBondContact O-N 2.99Å
48I83.6Confident82.3Confident49 Ų4969.6 Ų69.625%0.25135%0.351SS..Hα-helixtrans-60.8-45.6176.8-67.2170.6000110.8V44 I45 N50 E51 V52 F126V44-I48 HydrophobicContact CG1-CD1 3.71Å; V44-I48 HydrophobicContact CG1-CG1 4.4Å; V44-I48 WeakPolarHBondContact O-CB 3.33Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.46Å; V44-I48 PolarHBondContact O-N 3.24Å; I45-I48 PolarHBondContact O-N 3.49Å; I48-N50 PolarHBondContact O-N 2.64Å; I48-E51 PolarHBondContact O-N 3.12Å; I48-V52 HydrophobicContact CG2-CG2 4Å; I48-V52 VanDerWaalsContact O-CB 3.29Å; I48-V52 WeakPolarHBondContact O-CB 3.24Å; I48-V52 VanDerWaalsContact O-CG2 3.26Å; I48-V52 WeakPolarHBondContact O-CG2 3.36Å; I48-V52 PolarHBondContact O-N 3.37Å; I48-F126 HydrophobicContact CD1-CE2 3.73Å; I48-F126 HydrophobicContact CD1-CZ 3.85Å; I48-F126 HydrophobicContact CG2-CE2 4.16Å
49A81.9Confident82.2Confident23 Ų2375.6 Ų75.619%0.1938%0.376CS..Hα-helixtrans-62.4-42.1-179.100000111.8I45 D46 W47 F53 V122I45-A49 WeakPolarHBondContact O-CB 3.47Å; I45-A49 PolarHBondContact O-N 3.08Å; D46-A49 PolarHBondContact O-N 3.38Å; W47-A49 PolarHBondContact O-N 3.04Å; A49-F53 WeakPolarHBondContact O-CB 3.38Å; A49-F53 PolarHBondContact O-N 3.46Å; A49-V122 HydrophobicContact CB-CG1 3.82Å
50N81.8Confident82.1Confident56 Ų5677.6 Ų77.630%0.29938%0.383SS..Hα-helixtrans-67.5-40.7174.8-74.4-76.3000111.7D46 W47 I48 F53 K54 R116D46-N50 VanDerWaalsContact CG-ND2 3.28Å; D46-N50 WeakPolarHBondContact O-CB 3.38Å; D46-N50 PolarHBondContact O-N 2.91Å; D46-N50 PolarHBondContact O-ND2 2.99Å; D46-N50 PolarHBondContact OD1-ND2 3.3Å; W47-N50 PolarHBondContact O-N 2.96Å; I48-N50 PolarHBondContact O-N 2.64Å; N50-F53 PolarHBondContact O-N 3.32Å; N50-K54 VanDerWaalsContact O-CG 3.31Å; N50-K54 WeakPolarHBondContact O-CG 3.23Å; N50-K54 PolarHBondContact O-N 3.19Å; N50-R116 PolarHBondContact ND2-NH2 3.1Å
51E82.4Confident82.1Confident80 Ų8078.6 Ų78.637%0.37439%0.386SS..Hα-helixtrans-71.1-38.7-179.9-146.561-139.600112.2W47 I48 F53 K54 A55W47-E51 WeakPolarHBondContact O-CB 3.27Å; W47-E51 PolarHBondContact O-N 2.99Å; I48-E51 PolarHBondContact O-N 3.12Å; E51-F53 VanDerWaalsContact C-N 3.35Å; E51-K54 PolarHBondContact O-N 3.42Å; E51-K54 WeakPolarHBondContact OE1-CD 3.4Å; E51-K54 IonicContact OE1-NZ 3.02Å; E51-K54 PolarHBondContact OE1-NZ 3.38Å; E51-K54 IonicContact OE2-NZ 2.69Å; E51-K54 PolarHBondContact OE2-NZ 3.46Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.34Å
52V82.4Confident82.1Confident76 Ų7683.1 Ų83.146%0.46141%0.405SS..Hα-helixtrans-64.3-38.7170.1170.40000110.8I48 A55 L56I48-V52 HydrophobicContact CG2-CG2 4Å; I48-V52 VanDerWaalsContact O-CB 3.29Å; I48-V52 WeakPolarHBondContact O-CB 3.24Å; I48-V52 VanDerWaalsContact O-CG2 3.26Å; I48-V52 WeakPolarHBondContact O-CG2 3.36Å; I48-V52 PolarHBondContact O-N 3.37Å; V52-A55 PolarHBondContact O-N 3.16Å; V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 VanDerWaalsContact O-CB 3.31Å; V52-L56 WeakPolarHBondContact O-CB 3.35Å; V52-L56 VanDerWaalsContact O-CG 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.23Å; V52-L56 PolarHBondContact O-N 3.26Å
53F81.5Confident82.1Confident137 Ų13784.1 Ų84.160%0.60141%0.413SS*.Hα-helixtrans-67.6-40.1175.5-171.6-94.6000112.2A49 N50 E51 L56 T57A49-F53 WeakPolarHBondContact O-CB 3.38Å; A49-F53 PolarHBondContact O-N 3.46Å; N50-F53 PolarHBondContact O-N 3.32Å; E51-F53 VanDerWaalsContact C-N 3.35Å; F53-L56 PolarHBondContact O-N 3.28Å; F53-T57 HydrophobicContact CD1-CG2 4.13Å; F53-T57 HydrophobicContact CE1-CG2 3.77Å; F53-T57 HydrophobicContact CZ-CG2 3.98Å; F53-T57 WeakPolarHBondContact O-CB 3.46Å; F53-T57 WeakPolarHBondContact O-CG2 3.49Å; F53-T57 PolarHBondContact O-N 3.45Å; F53-T57 PolarHBondContact O-OG1 3.31Å
54K79.2Confident81.9Confident105 Ų10586 Ų8646%0.45741%0.414SS..Hα-helixtrans-60-47.8169.4-71170.8-164.3168.60111N50 E51 L56 T57 M58N50-K54 VanDerWaalsContact O-CG 3.31Å; N50-K54 WeakPolarHBondContact O-CG 3.23Å; N50-K54 PolarHBondContact O-N 3.19Å; E51-K54 PolarHBondContact O-N 3.42Å; E51-K54 WeakPolarHBondContact OE1-CD 3.4Å; E51-K54 IonicContact OE1-NZ 3.02Å; E51-K54 PolarHBondContact OE1-NZ 3.38Å; E51-K54 IonicContact OE2-NZ 2.69Å; E51-K54 PolarHBondContact OE2-NZ 3.46Å; K54-L56 PolarHBondContact O-N 3.25Å; K54-T57 WeakPolarHBondContact CA-OG1 3.21Å; K54-T57 PolarHBondContact O-N 2.93Å; K54-T57 PolarHBondContact O-OG1 2.94Å; K54-M58 VanDerWaalsContact O-CB 3.24Å; K54-M58 WeakPolarHBondContact O-CB 3.24Å; K54-M58 WeakPolarHBondContact O-CG 3.22Å; K54-M58 PolarHBondContact O-N 3.01Å
55A80.4Confident81.7Confident59 Ų5985.4 Ų85.449%0.48842%0.416SS..Hα-helixtrans-61.9-43.3179.100000112E51 V52 F59E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.34Å; V52-A55 PolarHBondContact O-N 3.16Å; A55-F59 WeakPolarHBondContact O-CB 3.28Å; A55-F59 PolarHBondContact O-N 3.43Å
56L83.5Confident81.6Confident93 Ų9392.9 Ų92.949%0.48744%0.444SS..Hα-helixtrans-66.7-39.8176.2-75.6170000112.7V52 F53 K54 R60V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 VanDerWaalsContact O-CB 3.31Å; V52-L56 WeakPolarHBondContact O-CB 3.35Å; V52-L56 VanDerWaalsContact O-CG 3.25Å; V52-L56 WeakPolarHBondContact O-CG 3.23Å; V52-L56 PolarHBondContact O-N 3.26Å; F53-L56 PolarHBondContact O-N 3.28Å; K54-L56 PolarHBondContact O-N 3.25Å; L56-R60 WeakPolarHBondContact O-CB 3.49Å; L56-R60 VanDerWaalsContact O-CG 3.29Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.21Å
57T79.5Confident81.6Confident53 Ų53101 Ų10133%0.32547%0.474SS..Hα-helixtrans-71-42.7176.448.30000111.5F53 K54 F59 R60 L61F53-T57 HydrophobicContact CD1-CG2 4.13Å; F53-T57 HydrophobicContact CE1-CG2 3.77Å; F53-T57 HydrophobicContact CZ-CG2 3.98Å; F53-T57 WeakPolarHBondContact O-CB 3.46Å; F53-T57 WeakPolarHBondContact O-CG2 3.49Å; F53-T57 PolarHBondContact O-N 3.45Å; F53-T57 PolarHBondContact O-OG1 3.31Å; K54-T57 WeakPolarHBondContact CA-OG1 3.21Å; K54-T57 PolarHBondContact O-N 2.93Å; K54-T57 PolarHBondContact O-OG1 2.94Å; T57-F59 VanDerWaalsContact C-N 3.34Å; T57-F59 PolarHBondContact O-N 3.12Å; T57-R60 PolarHBondContact O-N 3.19Å; T57-L61 WeakPolarHBondContact O-CB 3.48Å; T57-L61 VanDerWaalsContact O-CG 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.49Å; T57-L61 PolarHBondContact O-N 3.27Å
58M79.7Confident81.2Confident131 Ų131100.6 Ų100.665%0.64547%0.473SS*.Hα-helixtrans-59.3-41.6170.7-73.6-70.3-7700112.1K54 L61 F62K54-M58 VanDerWaalsContact O-CB 3.24Å; K54-M58 WeakPolarHBondContact O-CB 3.24Å; K54-M58 WeakPolarHBondContact O-CG 3.22Å; K54-M58 PolarHBondContact O-N 3.01Å; M58-L61 PolarHBondContact O-N 2.77Å; M58-F62 VanDerWaalsContact O-CB 3.27Å; M58-F62 WeakPolarHBondContact O-CB 3.49Å; M58-F62 PolarHBondContact O-N 3.32Å
59F81.7Confident80.6Confident133 Ų133101.5 Ų101.558%0.58349%0.487SS*.Hα-helixtrans-67.1-42.3175.8-174.9-98.3000112.1A55 T57 F62 V63A55-F59 WeakPolarHBondContact O-CB 3.28Å; A55-F59 PolarHBondContact O-N 3.43Å; T57-F59 VanDerWaalsContact C-N 3.34Å; T57-F59 PolarHBondContact O-N 3.12Å; F59-F62 PolarHBondContact O-N 3.38Å; F59-V63 HydrophobicContact CD1-CG2 4.19Å; F59-V63 HydrophobicContact CE1-CG2 3.83Å; F59-V63 HydrophobicContact CE2-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.99Å; F59-V63 WeakPolarHBondContact O-CB 3.5Å; F59-V63 WeakPolarHBondContact O-CG2 3.28Å; F59-V63 PolarHBondContact O-N 2.99Å
60R81.1Confident80Confident191 Ų191109.5 Ų109.572%0.72151%0.513SS*.Hα-helixtrans-61.8-43.8173.2-76.9177.8178.7-162.80.7111.6L56 T57 V63 W64L56-R60 WeakPolarHBondContact O-CB 3.49Å; L56-R60 VanDerWaalsContact O-CG 3.29Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.21Å; T57-R60 PolarHBondContact O-N 3.19Å; R60-V63 PolarHBondContact O-N 3.45Å; R60-W64 VanDerWaalsContact O-CB 3.23Å; R60-W64 WeakPolarHBondContact O-CB 3.45Å; R60-W64 PolarHBondContact O-N 2.81Å
61L85.1Confident79.2Confident100 Ų100113.3 Ų113.352%0.52453%0.53SS..Hα-helixtrans-63.2-40.9174.6-73.8168000111.8T57 M58 W64 A65T57-L61 WeakPolarHBondContact O-CB 3.48Å; T57-L61 VanDerWaalsContact O-CG 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.49Å; T57-L61 PolarHBondContact O-N 3.27Å; M58-L61 PolarHBondContact O-N 2.77Å; L61-W64 PolarHBondContact O-N 3.26Å; L61-A65 WeakPolarHBondContact O-CB 3.29Å; L61-A65 PolarHBondContact O-N 2.78Å
62F82.8Confident78.1Confident117 Ų117112.4 Ų112.451%0.51354%0.536SS..Hα-helixtrans-64.1-45.4175.1177.2-104.8000112.1M58 F59 A65 R66M58-F62 VanDerWaalsContact O-CB 3.27Å; M58-F62 WeakPolarHBondContact O-CB 3.49Å; M58-F62 PolarHBondContact O-N 3.32Å; F59-F62 PolarHBondContact O-N 3.38Å; F62-A65 PolarHBondContact O-N 3.38Å; F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.05Å
63V82.9Confident77.1Confident50 Ų50112.9 Ų112.930%0.30354%0.543SS..Hα-helixtrans-64.4-42.5175.31710000111.2F59 R60 R66 R67F59-V63 HydrophobicContact CD1-CG2 4.19Å; F59-V63 HydrophobicContact CE1-CG2 3.83Å; F59-V63 HydrophobicContact CE2-CG2 4.47Å; F59-V63 HydrophobicContact CZ-CG2 3.99Å; F59-V63 WeakPolarHBondContact O-CB 3.5Å; F59-V63 WeakPolarHBondContact O-CG2 3.28Å; F59-V63 PolarHBondContact O-N 2.99Å; R60-V63 PolarHBondContact O-N 3.45Å; V63-R66 PolarHBondContact O-N 2.74Å; V63-R67 WeakPolarHBondContact O-CB 3.25Å; V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-N 3.28Å
64W79.7Confident76.1Confident120 Ų120113.5 Ų113.546%0.45555%0.552SS.*Hα-helixtrans-64.2-46176.1-179.696.2000111.8R60 L61 R66 R67 R68R60-W64 VanDerWaalsContact O-CB 3.23Å; R60-W64 WeakPolarHBondContact O-CB 3.45Å; R60-W64 PolarHBondContact O-N 2.81Å; L61-W64 PolarHBondContact O-N 3.26Å; W64-R66 PolarHBondContact O-N 3.05Å; W64-R67 PolarHBondContact O-N 2.97Å; W64-R68 WeakPolarHBondContact O-CB 3.3Å; W64-R68 PolarHBondContact O-N 2.95Å
65A80.7Confident74.9Confident47 Ų47119.5 Ų119.539%0.38857%0.571SS.*Hα-helixtrans-62.4-42175.900000111.4L61 F62 R67 R68 A69L61-A65 WeakPolarHBondContact O-CB 3.29Å; L61-A65 PolarHBondContact O-N 2.78Å; F62-A65 PolarHBondContact O-N 3.38Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.4Å; A65-R68 PolarHBondContact O-N 3.49Å; A65-A69 VanDerWaalsContact O-CB 3.28Å; A65-A69 WeakPolarHBondContact O-CB 3.17Å; A65-A69 PolarHBondContact O-N 3.39Å
66R81Confident73.5Confident157 Ų157127.5 Ų127.559%0.59259%0.589SS**Hα-helixtrans-67.1-31.4176.6-163.9170.6-172.2171.31.1112.7F62 V63 W64F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.05Å; V63-R66 PolarHBondContact O-N 2.74Å; W64-R66 PolarHBondContact O-N 3.05Å
67R78.4Confident71.6Confident181 Ų181132.8 Ų132.868%0.68361%0.608SS**Hα-helixtrans-71.6-46.6168.7-73.7178-180-161.70.3111.7V63 W64 A65 A69 R70 M71V63-R67 WeakPolarHBondContact O-CB 3.25Å; V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-N 3.28Å; W64-R67 PolarHBondContact O-N 2.97Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.4Å; R67-A69 PolarHBondContact O-N 3.32Å; R67-R70 WeakPolarHBondContact O-CB 3.26Å; R67-R70 PolarHBondContact O-N 3Å; R67-M71 WeakPolarHBondContact O-CG 3.28Å; R67-M71 PolarHBondContact O-N 3Å; R67-M71 VanDerWaalsContact O-N 3.12Å
68R75.3Confident70Confident155 Ų155135.9 Ų135.959%0.58563%0.632SS**Hα-helixtrans-64.9-36.4-179.3-169.5169.4179.1140.4-1.4112.3W64 A65 M71 A72W64-R68 WeakPolarHBondContact O-CB 3.3Å; W64-R68 PolarHBondContact O-N 2.95Å; A65-R68 PolarHBondContact O-N 3.49Å; R68-M71 PolarHBondContact O-N 2.97Å; R68-A72 WeakPolarHBondContact O-CB 3.3Å; R68-A72 PolarHBondContact O-N 2.76Å
69A71.4Confident68.3Low68 Ų68135.6 Ų135.656%0.56264%0.64SS**Hα-helixtrans-62.8-39.9173.100000112.6A65 R67 M71 A72A65-A69 VanDerWaalsContact O-CB 3.28Å; A65-A69 WeakPolarHBondContact O-CB 3.17Å; A65-A69 PolarHBondContact O-N 3.39Å; R67-A69 PolarHBondContact O-N 3.32Å; A69-M71 VanDerWaalsContact C-N 3.34Å; A69-A72 PolarHBondContact O-N 3.05Å
70R70.7Confident66.6Low191 Ų191137.1 Ų137.172%0.72165%0.653SS**Hα-helixtrans-65.2-35.3172.5-73.2178.6174.4177.8-2.2112.7R67 S73R67-R70 WeakPolarHBondContact O-CB 3.26Å; R67-R70 PolarHBondContact O-N 3Å; R70-S73 PolarHBondContact O-OG 3.35Å; R70-S73 VanDerWaalsContact O-OG 3.14Å
71M64.2Low64.9Low136 Ų136134 Ų13467%0.6765%0.65SS**Hα-helixtrans-75.6-30.2177.1-66.9-74.4-8200112.9R67 R68 A69 S73 L74R67-M71 WeakPolarHBondContact O-CG 3.28Å; R67-M71 PolarHBondContact O-N 3Å; R67-M71 VanDerWaalsContact O-N 3.12Å; R68-M71 PolarHBondContact O-N 2.97Å; A69-M71 VanDerWaalsContact C-N 3.34Å; M71-S73 PolarHBondContact O-N 3.36Å; M71-L74 PolarHBondContact O-N 3.09Å
72A59.6Low62.6Low60 Ų60141.8 Ų141.850%0.49667%0.672SS.*Hα-helixtrans-68.6-29.6-174.600000113.9R68 A69 L74 R75R68-A72 WeakPolarHBondContact O-CB 3.3Å; R68-A72 PolarHBondContact O-N 2.76Å; A69-A72 PolarHBondContact O-N 3.05Å; A72-L74 PolarHBondContact O-N 3.04Å; A72-R75 PolarHBondContact O-N 3.42Å
73S62Low60.8Low87 Ų87144.1 Ų144.161%0.60869%0.685SS**G310 helixtrans-64.4-29.5176.858.20000112.9R70 M71R70-S73 PolarHBondContact O-OG 3.35Å; R70-S73 VanDerWaalsContact O-OG 3.14Å; M71-S73 PolarHBondContact O-N 3.36Å
74L60.1Low58.7Low149 Ų149147.6 Ų147.678%0.7870%0.701SS**G310 helixtrans-82-10-177.9-68.4168000114.1M71 A72M71-L74 PolarHBondContact O-N 3.09Å; A72-L74 PolarHBondContact O-N 3.04Å
75R53.5Low56.9Low231 Ų231148.4 Ų148.487%0.87272%0.715SS**G310 helixtrans-110.911.6-171.8-132177.7-169.6-1793.8115.7A72 K77A72-R75 PolarHBondContact O-N 3.42Å; R75-K77 PolarHBondContact O-N 2.91Å
76R50Low55.4Low228 Ų228151.3 Ų151.386%0.8672%0.724SS**  trans-74.578.6173.6-83.4-176.7162.3176.7-4.9112.1
77K43.8Very low53.7Low204 Ų204150.4 Ų150.489%0.88773%0.726SS**  trans-161.944.3171.2-119.6170.6-169.9-177.40118R75R75-K77 PolarHBondContact O-N 2.91Å
78S46.9Very low52.1Low118 Ų118148.8 Ų148.883%0.82573%0.73SS**  trans-176.5118.6155.146.50000113.8
79P43Very low50.4Low125 Ų125151.4 Ų151.481%0.81274%0.74SS**  trans-124.8115.2163.934.3-19.9000111.7
80L46.1Very low48.9Very low164 Ų164156.8 Ų156.886%0.85975%0.746SS**  trans-164.9149.2169.6-113.2163.1000112.2
81I45.6Very low47.7Very low126 Ų126154.7 Ų154.765%0.64675%0.748SS**  trans58.494.2167.5-45.4173000116.2
82W37.2Very low46.5Very low264 Ų264153.8 Ų153.8100%175%0.754SS**  -120.2120.7126.2-84.293.8000107.3
83Q45.7Very low45Very low165 Ų165156.4 Ų156.477%0.77177%0.768SS**  trans-95.6134.5-174.3-172.6170.60.300110.8
84D38.5Very low43.7Very low123 Ų123161.4 Ų161.466%0.65878%0.782SS**  trans-22.2133.3172-169.4-9.2000116.4D86D84-D86 PolarHBondContact OD1-N 3.45Å
85N41.7Very low42.5Very low138 Ų138160 Ų16074%0.73878%0.784SS**  trans-14936.8166.1-102.5-75.3000111.7Q87N85-Q87 PolarHBondContact O-N 3.23Å
86D47.7Very low41.7Very low108 Ų108154.3 Ų154.358%0.57878%0.78SS**THydrogen-bonded Turntrans-69.76.5-172.5-100.8-30.7000115.5D84D84-D86 PolarHBondContact OD1-N 3.45Å
87Q45.3Very low40.8Very low138 Ų138149 Ų14965%0.64577%0.773SS**THydrogen-bonded Turntrans-79.5-30.5177.2-67-68.611.500113.9N85 R89N85-Q87 PolarHBondContact O-N 3.23Å; Q87-R89 PolarHBondContact O-N 2.93Å
88L46.3Very low40.3Very low146 Ų146146.3 Ų146.376%0.76477%0.768SS**THydrogen-bonded Turntrans-74-9.2-176.6-100166.5000114.2
89R39.9Very low39.9Very low210 Ų210145.8 Ų145.879%0.79277%0.771SS**THydrogen-bonded Turntrans-90-7.3-173.8-153.6173.1-174.8177.91.2114.5Q87Q87-R89 PolarHBondContact O-N 2.93Å
90R39.3Very low39.7Very low182 Ų182144.4 Ų144.469%0.68777%0.77SS**SBendtrans-97.7-7-173.3-92.2-174.5-78.7-172.8-4.7116.4
91I45.8Very low39.4Very low147 Ų147144.4 Ų144.475%0.75477%0.77SS**SBendtrans-97.4-9.6-172.3-63.8174.4000113
92S39.1Very low39.2Very low116 Ų116144.5 Ų144.581%0.81178%0.776SS**SBendtrans-103.932.6-176.4-53.50000114.3
93C27.7Very low39.3Very low116 Ų116141.8 Ų141.878%0.78477%0.772SS**  trans-129.731.9-170.5-158.30000114.6
94E35.1Very low38.8Very low192 Ų192142.3 Ų142.390%0.89777%0.771SS**  trans-143.167.5178.8-161.3161.6-167.600112.1
95S35.2Very low38.4Very low118 Ų118145.4 Ų145.483%0.82578%0.779SS**  trans-158.564.1163.9-171.30000111.6
96S35Very low38.3Very low113 Ų113144 Ų14479%0.7978%0.775SS**  trans-64.3146.6151.8-51.60000108.3
97T32.1Very low37.6Very low115 Ų115144.5 Ų144.571%0.70678%0.778SS**SBendcis-142.6-15812.727.10000111.2A99T97-A99 PolarHBondContact O-N 3.47Å
98D34Very low37Very low149 Ų149146.4 Ų146.480%0.79778%0.784SS**SBendtrans81.4-4157.9-50.2-22.3000119.9A100D98-A100 PolarHBondContact O-N 3.43Å
99A36.8Very low36.3Very low107 Ų107144.1 Ų144.188%0.88478%0.778SS**THydrogen-bonded Turntrans-765.117100000115.4T97T97-A99 PolarHBondContact O-N 3.47Å
100A39.2Very low35.8Very low96 Ų96144.1 Ų144.179%0.79378%0.784SS**THydrogen-bonded Turntrans-98.2-11.8-163.400000116.4D98D98-A100 PolarHBondContact O-N 3.43Å
101L41.1Very low35.5Very low163 Ų163144.1 Ų144.185%0.85378%0.784SS**SBendtrans-116.612.8-159.2-123.4163.4000116.4
102V41Very low35Very low128 Ų128144.8 Ų144.878%0.77678%0.777SS**  trans-129.147.7173-158.70000112.9K104V102-K104 HydrophobicContact CG1-CB 4.23Å; V102-K104 PolarHBondContact O-N 2.88Å
103K38.8Very low35.3Very low208 Ų208145.2 Ų145.290%0.90476%0.764SS**  trans-7463.5155.2-83.4-171.3175.8178.70110.1K105K103-K105 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact O-N 3.15Å
104K34.2Very low36.3Very low175 Ų175146.1 Ų146.176%0.76175%0.751SS**  trans-59.7117.9174.5-160172.7-171.81760107.4V102 V106V102-K104 HydrophobicContact CG1-CB 4.23Å; V102-K104 PolarHBondContact O-N 2.88Å; K104-V106 PolarHBondContact O-N 2.78Å
105K31.9Very low36.9Very low188 Ų188141.2 Ų141.282%0.81773%0.731SS**  trans-61.799.7174.3-79.6-174.3175.6-178.50107.6K103 D107K103-K105 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact O-N 3.15Å; K105-D107 PolarHBondContact O-N 2.9Å; K105-D107 VanDerWaalsContact O-N 3.1Å
106V39.1Very low37.8Very low108 Ų108142.1 Ų142.166%0.65572%0.716SS**  trans-72.9102.2168.3177.90000106.1K104 K108K104-V106 PolarHBondContact O-N 2.78Å; V106-K108 PolarHBondContact O-N 3.14Å
107D32.5Very low38.9Very low120 Ų120142.6 Ų142.664%0.64271%0.706SS**  trans-54.4113.1175.3-63.9-63.7000108.9K105 R640K105-D107 PolarHBondContact O-N 2.9Å; K105-D107 VanDerWaalsContact O-N 3.1Å; D107-R640 PolarHBondContact O-NH2 3.43Å
108K33.6Very low40.6Very low177 Ų177137.4 Ų137.477%0.7767%0.674SS**  trans-60.5123.6174.2-64.8172.9-176.71720105.8V106 K110V106-K108 PolarHBondContact O-N 3.14Å; K108-K110 PolarHBondContact O-N 3.14Å
109P31Very low42.8Very low98 Ų98133.7 Ų133.764%0.63666%0.658SS**  trans-53.8141.4173.524.8-33.7000108.1R111P109-R111 VanDerWaalsContact C-N 3.29Å; P109-R111 PolarHBondContact O-N 3.07Å
110K28.8Very low45Very low210 Ų210130 Ų13091%0.91363%0.625SS**  trans-58.390.5-175.1-70.1179.3179.5175.40109.6K108 R112K108-K110 PolarHBondContact O-N 3.14Å; K110-R112 PolarHBondContact O-N 2.9Å; K110-R112 VanDerWaalsContact O-N 3.16Å
111R33.1Very low47.2Very low183 Ų183130.1 Ų130.169%0.69162%0.616SS**  trans-59.1120.5-173.1-76.3178.2173.1-121.26.7108.6P109 D115P109-R111 VanDerWaalsContact C-N 3.29Å; P109-R111 PolarHBondContact O-N 3.07Å; R111-D115 VanDerWaalsContact CD-OD2 3.29Å; R111-D115 WeakPolarHBondContact CD-OD2 3.35Å; R111-D115 IonicContact CZ-OD2 2.91Å; R111-D115 IonicContact NE-OD2 3.86Å; R111-D115 IonicContact NH1-OD2 2.64Å; R111-D115 PolarHBondContact NH1-OD2 3.27Å
112R36.7Very low49.3Very low161 Ų161125 Ų12561%0.60859%0.591SS**  trans-60.4144.9179.1-72.3-169.4177.4-150.24.1108.6K110 R114 D115K110-R112 PolarHBondContact O-N 2.9Å; K110-R112 VanDerWaalsContact O-N 3.16Å; R112-R114 PolarHBondContact O-N 3.27Å; R112-D115 PolarHBondContact O-N 2.82Å
113F43.7Very low51.5Low124 Ų124118.9 Ų118.954%0.54455%0.554SS.*G310 helixtrans-52.1-24.6-174.2-112.6-104.5000115F42 L43 D115 R116F42-F113 HydrophobicContact CD1-CD1 4.18Å; F42-F113 HydrophobicContact CE1-CD1 4.3Å; L43-F113 HydrophobicContact CD1-CE1 4.25Å; L43-F113 HydrophobicContact CD1-CZ 4.11Å; L43-F113 HydrophobicContact CD2-CE1 3.58Å; L43-F113 HydrophobicContact CD2-CZ 3.81Å; L43-F113 HydrophobicContact CG-CE1 3.76Å; L43-F113 HydrophobicContact CG-CZ 4.09Å; F113-D115 PolarHBondContact O-N 2.86Å; F113-R116 PolarHBondContact O-N 3.5Å
114R49.2Very low53.9Low135 Ų135111.5 Ų111.551%0.50953%0.526SS..G310 helixtrans-61.8-18.1176.7-80.5174.6156.5135-8.6114.5R112 R116 D390R112-R114 PolarHBondContact O-N 3.27Å; R114-R116 PolarHBondContact O-N 3.45Å; R114-D390 IonicContact NH1-OD1 3.93Å; R114-D390 IonicContact NH1-OD2 3.82Å
115D48.2Very low56.5Low90 Ų90108.3 Ų108.348%0.48152%0.517SS..G310 helixtrans-61.5-28.8177.8-93.923.1000113.4R111 R112 F113 Q117R111-D115 VanDerWaalsContact CD-OD2 3.29Å; R111-D115 WeakPolarHBondContact CD-OD2 3.35Å; R111-D115 IonicContact CZ-OD2 2.91Å; R111-D115 IonicContact NE-OD2 3.86Å; R111-D115 IonicContact NH1-OD2 2.64Å; R111-D115 PolarHBondContact NH1-OD2 3.27Å; R112-D115 PolarHBondContact O-N 2.82Å; F113-D115 PolarHBondContact O-N 2.86Å; D115-Q117 PolarHBondContact O-N 3.29Å; D115-Q117 VanDerWaalsContact O-N 3.08Å
116R54.5Low59.3Low136 Ų136102 Ų10251%0.51349%0.49SS..SBendtrans-86.880.3-175.7-161.8165.4-172.9177.9-3.8110.5D46 N50 F113 R114 V118D46-R116 VanDerWaalsContact CG-CZ 3.47Å; D46-R116 VanDerWaalsContact CG-NE 3.29Å; D46-R116 WeakPolarHBondContact OD1-CD 3.5Å; D46-R116 IonicContact OD1-CZ 3.39Å; D46-R116 IonicContact OD1-NE 2.71Å; D46-R116 PolarHBondContact OD1-NE 2.89Å; D46-R116 IonicContact OD1-NH2 3.67Å; D46-R116 WeakPolarHBondContact OD2-CD 3.23Å; D46-R116 IonicContact OD2-CZ 2.78Å; D46-R116 IonicContact OD2-NE 3.95Å; D46-R116 PolarHBondContact OD2-NE 3.3Å; D46-R116 IonicContact OD2-NH1 2.94Å; D46-R116 PolarHBondContact OD2-NH1 2.88Å; D46-R116 IonicContact OD2-NH2 3.19Å; D46-R116 PolarHBondContact OD2-NH2 3.42Å; N50-R116 PolarHBondContact ND2-NH2 3.1Å; F113-R116 PolarHBondContact O-N 3.5Å; R114-R116 PolarHBondContact O-N 3.45Å; R116-V118 VanDerWaalsContact C-N 3.33Å; R116-V118 PolarHBondContact O-N 2.94Å
117Q57.8Low61.6Low123 Ų12397.7 Ų97.758%0.57546%0.463SS*.  trans-67.482.1-176.8-62.4-167.33300113.1D115D115-Q117 PolarHBondContact O-N 3.29Å; D115-Q117 VanDerWaalsContact O-N 3.08Å
118V67.3Low64.4Low6 Ų695.4 Ų95.44%0.03645%0.451CS..  trans-60127.6160.4-179.80000107.8F42 I45 D46 R116 V120 V122F42-V118 HydrophobicContact CE2-CB 4Å; F42-V118 HydrophobicContact CE2-CG2 3.65Å; F42-V118 HydrophobicContact CZ-CB 4.4Å; F42-V118 HydrophobicContact CZ-CG2 3.75Å; I45-V118 HydrophobicContact CG2-CG1 4.32Å; D46-V118 HydrophobicContact CB-CG2 3.93Å; R116-V118 VanDerWaalsContact C-N 3.33Å; R116-V118 PolarHBondContact O-N 2.94Å; V118-V120 PolarHBondContact O-N 3.2Å; V118-V122 HydrophobicContact CG1-CB 4.47Å
119P79.8Confident67.2Low71 Ų7188.7 Ų88.746%0.46143%0.431SS..  trans-67.2131.9177.326.5-33000110T121 V122 A123P119-T121 PolarHBondContact O-N 3.49Å; P119-V122 HydrophobicContact CG-CB 4.1Å; P119-V122 HydrophobicContact CG-CG2 3.73Å; P119-V122 PolarHBondContact O-N 3.05Å; P119-A123 PolarHBondContact O-N 2.96Å
120V84Confident70Confident30 Ų3086.1 Ų86.118%0.18241%0.409CS..Hα-helixtrans-50-39.7-177.6-170.80000111.8V118 V122 A123 V124 V194 K197V118-V120 PolarHBondContact O-N 3.2Å; V120-V122 PolarHBondContact O-N 3.44Å; V120-A123 PolarHBondContact O-N 2.96Å; V120-A123 VanDerWaalsContact O-N 3.08Å; V120-V124 HydrophobicContact CG1-CG2 3.97Å; V120-V124 WeakPolarHBondContact O-CG2 3.26Å; V120-V124 PolarHBondContact O-N 3.12Å; V120-V194 HydrophobicContact CG1-CG2 3.71Å; V120-K197 HydrophobicContact CG2-CB 3.81Å; V120-K197 HydrophobicContact CG2-CD 4.14Å; V120-K197 HydrophobicContact CG2-CG 3.47Å; V120-K197 VanDerWaalsContact CG2-CG 3.47Å
121T84.7Confident73Confident99 Ų9977.4 Ų77.461%0.60737%0.372SS*.Hα-helixtrans-54.3-37.1177-39.50000112.9P119 L125P119-T121 PolarHBondContact O-N 3.49Å; T121-L125 HydrophobicContact CG2-CD1 4.04Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 WeakPolarHBondContact O-CD1 3.48Å; T121-L125 WeakPolarHBondContact O-CG 3.35Å; T121-L125 PolarHBondContact O-N 3.46Å
122V86.1Confident75.8Confident54 Ų5473.6 Ų73.633%0.32736%0.361SS..Hα-helixtrans-74.1-39177.61700000111.3A49 V118 P119 V120 F126A49-V122 HydrophobicContact CB-CG1 3.82Å; V118-V122 HydrophobicContact CG1-CB 4.47Å; P119-V122 HydrophobicContact CG-CB 4.1Å; P119-V122 HydrophobicContact CG-CG2 3.73Å; P119-V122 PolarHBondContact O-N 3.05Å; V120-V122 PolarHBondContact O-N 3.44Å; V122-F126 VanDerWaalsContact O-CB 3.25Å; V122-F126 WeakPolarHBondContact O-CB 3.3Å; V122-F126 PolarHBondContact O-N 3.12Å
123A85.9Confident78.4Confident0 Ų070.3 Ų70.30%036%0.355CS..Hα-helixtrans-64.2-47.9174.500000111.3P119 V120 L125 F126 T127 L193P119-A123 PolarHBondContact O-N 2.96Å; V120-A123 PolarHBondContact O-N 2.96Å; V120-A123 VanDerWaalsContact O-N 3.08Å; A123-L125 PolarHBondContact O-N 3.43Å; A123-F126 WeakPolarHBondContact O-CB 3.27Å; A123-F126 PolarHBondContact O-N 2.89Å; A123-F126 VanDerWaalsContact O-N 3.11Å; A123-T127 WeakPolarHBondContact O-CG2 3.18Å; A123-T127 PolarHBondContact O-N 3.19Å; A123-T127 PolarHBondContact O-OG1 2.92Å; A123-L193 HydrophobicContact CB-CD1 3.48Å; A123-L193 VanDerWaalsContact CB-CD1 3.48Å
124V89.3Confident80.6Confident53 Ų5364.4 Ų64.432%0.32133%0.329SS..Hα-helixtrans-64.6-40178.7172.90000112V120 F126 T127 I128V120-V124 HydrophobicContact CG1-CG2 3.97Å; V120-V124 WeakPolarHBondContact O-CG2 3.26Å; V120-V124 PolarHBondContact O-N 3.12Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.11Å; V124-T127 PolarHBondContact O-N 3.43Å; V124-T127 PolarHBondContact O-OG1 2.91Å; V124-I128 HydrophobicContact CG1-CD1 3.74Å; V124-I128 HydrophobicContact CG1-CG1 4.46Å; V124-I128 WeakPolarHBondContact O-CB 3.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.21Å; V124-I128 VanDerWaalsContact O-CG1 3.23Å; V124-I128 WeakPolarHBondContact O-CG1 3.45Å; V124-I128 PolarHBondContact O-N 3.14Å
125L90.1Very high82.6Confident109 Ų10958 Ų5857%0.57130%0.304SS*.Hα-helixtrans-66.6-33.5172.3-73.9171000112.4T121 A123 G129T121-L125 HydrophobicContact CG2-CD1 4.04Å; T121-L125 WeakPolarHBondContact O-CB 3.42Å; T121-L125 WeakPolarHBondContact O-CD1 3.48Å; T121-L125 WeakPolarHBondContact O-CG 3.35Å; T121-L125 PolarHBondContact O-N 3.46Å; A123-L125 PolarHBondContact O-N 3.43Å; L125-G129 PolarHBondContact O-N 2.84Å
126F89.2Confident84.6Confident56 Ų5654.7 Ų54.725%0.24629%0.292CS..Hα-helixtrans-67.9-39.5175.7-172-89.3000111.8I45 I48 V122 A123 V124 G129 W130 L186I45-F126 HydrophobicContact CD1-CD1 4.44Å; I45-F126 HydrophobicContact CG1-CD1 3.87Å; I45-F126 HydrophobicContact CG1-CE1 4.08Å; I45-F126 HydrophobicContact CG1-CG 4.32Å; I48-F126 HydrophobicContact CD1-CE2 3.73Å; I48-F126 HydrophobicContact CD1-CZ 3.85Å; I48-F126 HydrophobicContact CG2-CE2 4.16Å; V122-F126 VanDerWaalsContact O-CB 3.25Å; V122-F126 WeakPolarHBondContact O-CB 3.3Å; V122-F126 PolarHBondContact O-N 3.12Å; A123-F126 WeakPolarHBondContact O-CB 3.27Å; A123-F126 PolarHBondContact O-N 2.89Å; A123-F126 VanDerWaalsContact O-N 3.11Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.11Å; F126-G129 CarbonylContact O-C 3.51Å; F126-G129 PolarHBondContact O-N 2.84Å; F126-W130 WeakPolarHBondContact O-CB 3.42Å; F126-W130 PolarHBondContact O-N 3.41Å; F126-L186 HydrophobicContact CD1-CD1 4.37Å; F126-L186 HydrophobicContact CD1-CD2 3.89Å; F126-L186 HydrophobicContact CE1-CD1 4.02Å; F126-L186 HydrophobicContact CE1-CD2 3.75Å
127T88Confident86.2Confident16 Ų1650.5 Ų50.510%0.09828%0.279CS..Hα-helixtrans-76.5-36.6179.259.70000113.1A123 V124 G129 W130 I131 L186 C190A123-T127 WeakPolarHBondContact O-CG2 3.18Å; A123-T127 PolarHBondContact O-N 3.19Å; A123-T127 PolarHBondContact O-OG1 2.92Å; V124-T127 PolarHBondContact O-N 3.43Å; V124-T127 PolarHBondContact O-OG1 2.91Å; T127-G129 VanDerWaalsContact C-N 3.31Å; T127-W130 WeakPolarHBondContact O-CB 3.44Å; T127-W130 PolarHBondContact O-N 3.42Å; T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 2.81Å; T127-L186 HydrophobicContact CG2-CB 3.69Å; T127-L186 HydrophobicContact CG2-CD2 4.41Å; T127-L186 HydrophobicContact CG2-CG 4.47Å; T127-C190 WeakPolarHBondContact CG2-SG 3.34Å; T127-C190 PolarHBondContact OG1-SG 3.03Å; T127-C190 VanDerWaalsContact OG1-SG 3.38Å
128I91.6Very high87.5Confident73 Ų7344.8 Ų44.837%0.37425%0.252SS..Hα-helixtrans-60-43.4166.4-68.6167.6000110.3V124 W130 I131 F132V124-I128 HydrophobicContact CG1-CD1 3.74Å; V124-I128 HydrophobicContact CG1-CG1 4.46Å; V124-I128 WeakPolarHBondContact O-CB 3.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.21Å; V124-I128 VanDerWaalsContact O-CG1 3.23Å; V124-I128 WeakPolarHBondContact O-CG1 3.45Å; V124-I128 PolarHBondContact O-N 3.14Å; I128-W130 VanDerWaalsContact C-N 3.35Å; I128-W130 PolarHBondContact O-N 2.88Å; I128-I131 PolarHBondContact O-N 3.43Å; I128-F132 HydrophobicContact CG2-CD2 3.79Å; I128-F132 HydrophobicContact CG2-CE2 3.49Å; I128-F132 VanDerWaalsContact CG2-CE2 3.49Å; I128-F132 VanDerWaalsContact O-CD2 3.23Å; I128-F132 WeakPolarHBondContact O-CD2 3.49Å; I128-F132 PolarHBondContact O-N 2.71Å; I128-F132 VanDerWaalsContact O-N 3.11Å
129G91.6Very high88.5Confident35 Ų3546.2 Ų46.236%0.36126%0.261SS..Hα-helixtrans-61.4-39.617400000113.3L125 F126 T127 F132 L133L125-G129 PolarHBondContact O-N 2.84Å; F126-G129 CarbonylContact O-C 3.51Å; F126-G129 PolarHBondContact O-N 2.84Å; T127-G129 VanDerWaalsContact C-N 3.31Å; G129-F132 PolarHBondContact O-N 3.22Å; G129-L133 VanDerWaalsContact O-CB 3.25Å; G129-L133 WeakPolarHBondContact O-CB 3.34Å; G129-L133 PolarHBondContact O-N 2.91Å
130W90.4Very high88.8Confident45 Ų4549.3 Ų49.317%0.1727%0.273CS..Hα-helixtrans-63.4-42.5174.5-172-103.9000111.7F126 T127 I128 F132 L133 C134 F153 L179 I182 L186F126-W130 WeakPolarHBondContact O-CB 3.42Å; F126-W130 PolarHBondContact O-N 3.41Å; T127-W130 WeakPolarHBondContact O-CB 3.44Å; T127-W130 PolarHBondContact O-N 3.42Å; I128-W130 VanDerWaalsContact C-N 3.35Å; I128-W130 PolarHBondContact O-N 2.88Å; W130-F132 PolarHBondContact O-N 3.26Å; W130-L133 HydrophobicContact CZ3-CD2 4.45Å; W130-L133 PolarHBondContact O-N 3.15Å; W130-C134 VanDerWaalsContact CE2-SG 3.58Å; W130-C134 WeakPolarHBondContact O-CB 3.35Å; W130-C134 PolarHBondContact O-N 3.31Å; W130-C134 PolarHBondContact O-SG 2.81Å; W130-C134 VanDerWaalsContact O-SG 3.42Å; W130-F153 AromaticContact CD1-CE1 3.76Å; W130-F153 AromaticContact CD1-CZ 3.85Å; W130-F153 AromaticContact NE1-CZ 3.69Å; W130-L179 HydrophobicContact CH2-CD2 4.25Å; W130-L179 HydrophobicContact CZ2-CD2 3.87Å; W130-I182 HydrophobicContact CD2-CG2 4.43Å; W130-I182 HydrophobicContact CH2-CD1 4.3Å; W130-I182 HydrophobicContact CH2-CG2 3.87Å; W130-I182 HydrophobicContact CZ2-CB 3.77Å; W130-I182 HydrophobicContact CZ2-CD1 4.1Å; W130-I182 HydrophobicContact CZ2-CG2 3.34Å; W130-L186 HydrophobicContact CB-CD1 3.9Å; W130-L186 HydrophobicContact CD2-CD1 3.76Å; W130-L186 HydrophobicContact CE3-CD1 4.39Å; W130-L186 HydrophobicContact CG-CD1 3.48Å; W130-L186 VanDerWaalsContact CG-CD1 3.48Å
131I91.4Very high88.9Confident27 Ų2750.9 Ų50.914%0.13828%0.276CS..Hα-helixtrans-58.2-50174.9-69.5157.6000111.1T127 I128 L133 C134 A135 V150 F153 L157T127-I131 WeakPolarHBondContact O-CG1 3.36Å; T127-I131 PolarHBondContact O-N 2.81Å; I128-I131 PolarHBondContact O-N 3.43Å; I131-L133 PolarHBondContact O-N 3.37Å; I131-C134 PolarHBondContact O-N 3.22Å; I131-A135 WeakPolarHBondContact O-CB 3.46Å; I131-A135 PolarHBondContact O-N 3.17Å; I131-V150 HydrophobicContact CG2-CG1 4.24Å; I131-F153 HydrophobicContact CB-CD1 4.13Å; I131-F153 HydrophobicContact CG1-CD1 3.88Å; I131-F153 HydrophobicContact CG1-CE1 4.1Å; I131-F153 HydrophobicContact CG2-CD1 4.24Å; I131-L157 HydrophobicContact CG1-CD1 4.01Å
132F92.6Very high88.6Confident102 Ų10246.3 Ų46.345%0.44725%0.248SC..Hα-helixtrans-67.7-32.4179.5-72.3-54.8000113.6I128 G129 W130 G136 Y146 V150I128-F132 HydrophobicContact CG2-CD2 3.79Å; I128-F132 HydrophobicContact CG2-CE2 3.49Å; I128-F132 VanDerWaalsContact CG2-CE2 3.49Å; I128-F132 VanDerWaalsContact O-CD2 3.23Å; I128-F132 WeakPolarHBondContact O-CD2 3.49Å; I128-F132 PolarHBondContact O-N 2.71Å; I128-F132 VanDerWaalsContact O-N 3.11Å; G129-F132 PolarHBondContact O-N 3.22Å; W130-F132 PolarHBondContact O-N 3.26Å; F132-G136 PolarHBondContact O-N 3.4Å; F132-G136 VanDerWaalsContact O-N 3.17Å; F132-Y146 WeakPolarHBondContact CA-OH 3.24Å; F132-Y146 WeakPolarHBondContact CB-OH 3.21Å; F132-Y146 HydrophobicContact CD1-CE1 4.07Å; F132-Y146 WeakPolarHBondContact CD1-OH 3.38Å; F132-Y146 PolarHBondContact O-OH 2.84Å; F132-V150 HydrophobicContact CD1-CG2 3.91Å; F132-V150 HydrophobicContact CE1-CG1 4.5Å; F132-V150 HydrophobicContact CE1-CG2 4.12Å
133L91.5Very high88.4Confident92 Ų9251.4 Ų51.448%0.48227%0.268SS..Hα-helixtrans-69-48.2174.6-178.1153.1000111.2G129 W130 I131 G136 I137G129-L133 VanDerWaalsContact O-CB 3.25Å; G129-L133 WeakPolarHBondContact O-CB 3.34Å; G129-L133 PolarHBondContact O-N 2.91Å; W130-L133 HydrophobicContact CZ3-CD2 4.45Å; W130-L133 PolarHBondContact O-N 3.15Å; I131-L133 PolarHBondContact O-N 3.37Å; L133-G136 PolarHBondContact O-N 3.45Å; L133-I137 HydrophobicContact CD2-CD1 3.7Å; L133-I137 PolarHBondContact O-N 3Å; L133-I137 VanDerWaalsContact O-N 3.09Å
134C90Very high88.4Confident0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-62.2-43.9176.8-740000111.4W130 I131 G136 I137 F138 F153W130-C134 VanDerWaalsContact CE2-SG 3.58Å; W130-C134 WeakPolarHBondContact O-CB 3.35Å; W130-C134 PolarHBondContact O-N 3.31Å; W130-C134 PolarHBondContact O-SG 2.81Å; W130-C134 VanDerWaalsContact O-SG 3.42Å; I131-C134 PolarHBondContact O-N 3.22Å; C134-G136 VanDerWaalsContact C-N 3.26Å; C134-G136 PolarHBondContact O-N 3.42Å; C134-I137 WeakPolarHBondContact O-CB 3.41Å; C134-I137 PolarHBondContact O-N 3.08Å; C134-I137 VanDerWaalsContact O-N 3.09Å; C134-F138 WeakPolarHBondContact O-CD2 3.2Å; C134-F138 PolarHBondContact O-N 3.32Å; C134-F153 HydrophobicContact CB-CD1 3.87Å; C134-F153 HydrophobicContact CB-CD2 4.02Å; C134-F153 HydrophobicContact CB-CE1 3.61Å; C134-F153 HydrophobicContact CB-CE2 3.81Å; C134-F153 HydrophobicContact CB-CG 4.05Å; C134-F153 HydrophobicContact CB-CZ 3.6Å; C134-F153 WeakPolarHBondContact SG-CZ 3.38Å
135A90.5Very high88.5Confident0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-56.9-40.2174.400000112.5I131 F138 T139 Y146 A149 V150I131-A135 WeakPolarHBondContact O-CB 3.46Å; I131-A135 PolarHBondContact O-N 3.17Å; A135-F138 PolarHBondContact O-N 2.98Å; A135-T139 PolarHBondContact O-N 3.28Å; A135-T139 PolarHBondContact O-OG1 3.5Å; A135-Y146 HydrophobicContact CB-CD2 4.38Å; A135-Y146 HydrophobicContact CB-CE2 3.89Å; A135-A149 HydrophobicContact CB-CB 4.01Å; A135-A149 WeakPolarHBondContact O-CB 3.22Å; A135-V150 HydrophobicContact CB-CB 4.22Å; A135-V150 HydrophobicContact CB-CG2 3.39Å
136G89.6Confident88.6Confident21 Ų2153.3 Ų53.322%0.21627%0.272CS..Hα-helixtrans-62.4-41.2174.800000113.1F132 L133 C134 T139 L140F132-G136 PolarHBondContact O-N 3.4Å; F132-G136 VanDerWaalsContact O-N 3.17Å; L133-G136 PolarHBondContact O-N 3.45Å; C134-G136 VanDerWaalsContact C-N 3.26Å; C134-G136 PolarHBondContact O-N 3.42Å; G136-T139 PolarHBondContact O-OG1 3.04Å; G136-L140 WeakPolarHBondContact O-CG 3.22Å
137I89.3Confident88.7Confident49 Ų4958.5 Ų58.525%0.25130%0.295SS..Hα-helixtrans-63.4-44.7173.2-64.4171.6000110.6L133 C134 T139 L140 W141 L179L133-I137 HydrophobicContact CD2-CD1 3.7Å; L133-I137 PolarHBondContact O-N 3Å; L133-I137 VanDerWaalsContact O-N 3.09Å; C134-I137 WeakPolarHBondContact O-CB 3.41Å; C134-I137 PolarHBondContact O-N 3.08Å; C134-I137 VanDerWaalsContact O-N 3.09Å; I137-T139 PolarHBondContact O-N 2.98Å; I137-L140 WeakPolarHBondContact O-CB 3.29Å; I137-L140 PolarHBondContact O-N 3.19Å; I137-W141 HydrophobicContact CG2-CD2 3.86Å; I137-W141 HydrophobicContact CG2-CE3 3.8Å; I137-W141 HydrophobicContact CG2-CH2 3.52Å; I137-W141 HydrophobicContact CG2-CZ2 3.58Å; I137-W141 HydrophobicContact CG2-CZ3 3.63Å; I137-W141 PolarHBondContact O-N 3.47Å; I137-L179 HydrophobicContact CG2-CD1 4.39Å
138F85.7Confident88.9Confident2 Ų261 Ų611%0.00931%0.306CS..Hα-helixtrans-61.9-42.5179.6-83-69.3000112.7C134 A135 L140 W141 E142 W144 A149 F152 F153 N176 L179C134-F138 WeakPolarHBondContact O-CD2 3.2Å; C134-F138 PolarHBondContact O-N 3.32Å; A135-F138 PolarHBondContact O-N 2.98Å; F138-L140 PolarHBondContact O-N 3.39Å; F138-L140 VanDerWaalsContact O-N 3.08Å; F138-W141 PolarHBondContact O-N 3.43Å; F138-E142 HydrophobicContact CD1-CG 4.47Å; F138-E142 PolarHBondContact O-N 2.83Å; F138-W144 HydrophobicContact CB-CE3 4.43Å; F138-W144 HydrophobicContact CD1-CZ3 4.25Å; F138-A149 HydrophobicContact CB-CB 3.95Å; F138-F152 HydrophobicContact CE1-CE1 4.31Å; F138-F152 HydrophobicContact CE2-CE1 4.46Å; F138-F152 HydrophobicContact CZ-CE1 4.22Å; F138-F153 HydrophobicContact CE2-CD2 4.2Å; F138-N176 HydrophobicContact CE1-CB 4Å; F138-N176 HydrophobicContact CZ-CB 3.75Å; F138-N176 WeakPolarHBondContact CZ-OD1 3.46Å; F138-L179 HydrophobicContact CE2-CD1 4.02Å; F138-L179 HydrophobicContact CZ-CD1 4.25Å
139T87.1Confident88.9Confident36 Ų3657.5 Ų57.522%0.22129%0.288CS..Hα-helixtrans-63.4-11.5174.451.30000115.4A135 G136 I137 E142 Y146 A149A135-T139 PolarHBondContact O-N 3.28Å; A135-T139 PolarHBondContact O-OG1 3.5Å; G136-T139 PolarHBondContact O-OG1 3.04Å; I137-T139 PolarHBondContact O-N 2.98Å; T139-E142 CarbonylContact C-O 3.59Å; T139-Y146 VanDerWaalsContact CG2-CA 3.49Å; T139-Y146 HydrophobicContact CG2-CD2 4.03Å; T139-A149 HydrophobicContact CG2-CB 3.84Å
140L86.1Confident88.9Confident137 Ų13757.1 Ų57.172%0.71728%0.278SS*.Hα-helixtrans-98.1-15.3175.8-65.8171.3000113G136 I137 F138G136-L140 WeakPolarHBondContact O-CG 3.22Å; I137-L140 WeakPolarHBondContact O-CB 3.29Å; I137-L140 PolarHBondContact O-N 3.19Å; F138-L140 PolarHBondContact O-N 3.39Å; F138-L140 VanDerWaalsContact O-N 3.08Å
141W85.6Confident89Confident62 Ų6258.5 Ų58.524%0.23528%0.284CS..Hα-helixtrans-108-51.3179.8-66.2-14.7000111.9I137 F138 Y169 Y172 M175 L179I137-W141 HydrophobicContact CG2-CD2 3.86Å; I137-W141 HydrophobicContact CG2-CE3 3.8Å; I137-W141 HydrophobicContact CG2-CH2 3.52Å; I137-W141 HydrophobicContact CG2-CZ2 3.58Å; I137-W141 HydrophobicContact CG2-CZ3 3.63Å; I137-W141 PolarHBondContact O-N 3.47Å; F138-W141 PolarHBondContact O-N 3.43Å; W141-Y169 WeakPolarHBondContact O-CD2 3.49Å; W141-Y169 WeakPolarHBondContact O-CE2 3.5Å; W141-Y172 HydrophobicContact CB-CD2 4.07Å; W141-Y172 HydrophobicContact CB-CE2 4.42Å; W141-Y172 HydrophobicContact CB-CG 4.33Å; W141-Y172 HydrophobicContact CD2-CD1 4.15Å; W141-Y172 HydrophobicContact CD2-CG 4.23Å; W141-Y172 HydrophobicContact CE3-CD1 4.39Å; W141-Y172 HydrophobicContact CE3-CG 4.28Å; W141-Y172 HydrophobicContact CG-CD1 4.37Å; W141-Y172 HydrophobicContact CG-CD2 4.39Å; W141-Y172 HydrophobicContact CG-CG 4.28Å; W141-M175 HydrophobicContact CH2-CB 3.89Å; W141-M175 HydrophobicContact CH2-CE 3.77Å; W141-M175 HydrophobicContact CH2-CG 4.46Å; W141-M175 HydrophobicContact CH2-SD 3.76Å; W141-M175 HydrophobicContact CZ2-CE 4.17Å; W141-M175 HydrophobicContact CZ2-SD 4.13Å; W141-M175 HydrophobicContact CZ3-CB 3.88Å; W141-M175 HydrophobicContact CZ3-SD 4.5Å; W141-L179 HydrophobicContact CZ3-CD1 4.35Å
142E78.7Confident88.9Confident4 Ų457.7 Ų57.72%0.01928%0.279CS..SBendtrans-94.1138.9170.8-56.4-65.2147.400107.9F138 T139 W144 P167 D168 Y169F138-E142 HydrophobicContact CD1-CG 4.47Å; F138-E142 PolarHBondContact O-N 2.83Å; T139-E142 CarbonylContact C-O 3.59Å; E142-W144 HydrophobicContact CB-CD2 3.53Å; E142-W144 HydrophobicContact CB-CE3 3.95Å; E142-W144 HydrophobicContact CB-CG 3.85Å; E142-W144 HydrophobicContact CB-CH2 4.5Å; E142-W144 HydrophobicContact CB-CZ2 4.13Å; E142-W144 HydrophobicContact CB-CZ3 4.41Å; E142-W144 HydrophobicContact CG-CD2 4.22Å; E142-W144 HydrophobicContact CG-CE3 4.34Å; E142-W144 HydrophobicContact CG-CH2 4.14Å; E142-W144 HydrophobicContact CG-CZ2 3.99Å; E142-W144 HydrophobicContact CG-CZ3 4.3Å; E142-W144 PolarHBondContact O-N 3.48Å; E142-P167 VanDerWaalsContact CD-CB 3.45Å; E142-P167 HydrophobicContact CG-CB 3.84Å; E142-P167 WeakPolarHBondContact OE1-CB 3.39Å; E142-D168 PolarHBondContact OE2-N 3.4Å; E142-Y169 WeakPolarHBondContact OE1-CB 3.38Å; E142-Y169 WeakPolarHBondContact OE1-CD2 3.48Å; E142-Y169 PolarHBondContact OE1-N 3.19Å
143Q83.1Confident88.8Confident161 Ų16152.8 Ų52.875%0.75226%0.258SS*.  trans-80.946.9-177.6-66-66.9-79.600112.2
144W85Confident88.8Confident35 Ų3553.8 Ų53.813%0.13326%0.259CS..  trans-89.3162-178-63.7-19.8000112.5F138 E142 E148 A149 F152 V165 P167F138-W144 HydrophobicContact CB-CE3 4.43Å; F138-W144 HydrophobicContact CD1-CZ3 4.25Å; E142-W144 HydrophobicContact CB-CD2 3.53Å; E142-W144 HydrophobicContact CB-CE3 3.95Å; E142-W144 HydrophobicContact CB-CG 3.85Å; E142-W144 HydrophobicContact CB-CH2 4.5Å; E142-W144 HydrophobicContact CB-CZ2 4.13Å; E142-W144 HydrophobicContact CB-CZ3 4.41Å; E142-W144 HydrophobicContact CG-CD2 4.22Å; E142-W144 HydrophobicContact CG-CE3 4.34Å; E142-W144 HydrophobicContact CG-CH2 4.14Å; E142-W144 HydrophobicContact CG-CZ2 3.99Å; E142-W144 HydrophobicContact CG-CZ3 4.3Å; E142-W144 PolarHBondContact O-N 3.48Å; W144-E148 WeakPolarHBondContact CA-OE2 3.26Å; W144-E148 HydrophobicContact CB-CB 4.44Å; W144-E148 HydrophobicContact CB-CG 4.07Å; W144-E148 WeakPolarHBondContact CB-OE2 3.27Å; W144-E148 HydrophobicContact CG-CG 4.19Å; W144-A149 HydrophobicContact CE3-CB 4.4Å; W144-F152 HydrophobicContact CH2-CD1 4.19Å; W144-F152 HydrophobicContact CH2-CE1 4.47Å; W144-F152 HydrophobicContact CH2-CG 4.21Å; W144-F152 HydrophobicContact CZ3-CB 4.18Å; W144-F152 AromaticContact CZ3-CD1 3.73Å; W144-F152 HydrophobicContact CZ3-CD1 3.73Å; W144-F152 HydrophobicContact CZ3-CE1 4.33Å; W144-F152 AromaticContact CZ3-CG 3.92Å; W144-F152 HydrophobicContact CZ3-CG 3.92Å; W144-V165 HydrophobicContact CD2-CG1 4.18Å; W144-V165 HydrophobicContact CE3-CG1 4.17Å; W144-V165 HydrophobicContact CH2-CG1 3.43Å; W144-V165 VanDerWaalsContact CH2-CG1 3.43Å; W144-V165 HydrophobicContact CZ2-CG1 3.44Å; W144-V165 VanDerWaalsContact CZ2-CG1 3.44Å; W144-V165 HydrophobicContact CZ3-CG1 3.82Å; W144-P167 HydrophobicContact CH2-CB 4.3Å
145S90.8Very high88.8Confident63 Ų6354.2 Ų54.244%0.44126%0.261SS..  trans-71.5152.7166.669.40000111.3F147 E148 A149S145-F147 PolarHBondContact O-N 3.41Å; S145-E148 PolarHBondContact N-OE2 2.67Å; S145-E148 WeakPolarHBondContact O-CB 3.31Å; S145-E148 PolarHBondContact O-N 3.03Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 PolarHBondContact OG-N 3.49Å; S145-E148 PolarHBondContact OG-OE2 2.98Å; S145-A149 PolarHBondContact O-N 3.03Å
146Y92.3Very high88.8Confident104 Ų10455.5 Ų55.541%0.40827%0.27SS..Hα-helixtrans-61.7-33.1179.1-171.4-102.5000112.9F132 A135 T139 V150F132-Y146 WeakPolarHBondContact CA-OH 3.24Å; F132-Y146 WeakPolarHBondContact CB-OH 3.21Å; F132-Y146 HydrophobicContact CD1-CE1 4.07Å; F132-Y146 WeakPolarHBondContact CD1-OH 3.38Å; F132-Y146 PolarHBondContact O-OH 2.84Å; A135-Y146 HydrophobicContact CB-CD2 4.38Å; A135-Y146 HydrophobicContact CB-CE2 3.89Å; T139-Y146 VanDerWaalsContact CG2-CA 3.49Å; T139-Y146 HydrophobicContact CG2-CD2 4.03Å; Y146-V150 HydrophobicContact CD1-CG2 4.15Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 WeakPolarHBondContact O-CG2 3.45Å; Y146-V150 PolarHBondContact O-N 3.05Å
147F91.9Very high88.8Confident164 Ų16454.9 Ų54.972%0.71926%0.261SS*.Hα-helixtrans-69-41.7176.2-172.4-96.8000112.3S145 V150 Y151S145-F147 PolarHBondContact O-N 3.41Å; F147-V150 PolarHBondContact O-N 3.48Å; F147-Y151 VanDerWaalsContact O-CB 3.23Å; F147-Y151 WeakPolarHBondContact O-CB 3.4Å; F147-Y151 PolarHBondContact O-N 2.87Å
148E91.4Very high88.8Confident69 Ų6954.5 Ų54.532%0.32226%0.263SS..Hα-helixtrans-63.1-39.3174.4176.9178.6-155.600112.1W144 S145 Y151 F152 V165W144-E148 WeakPolarHBondContact CA-OE2 3.26Å; W144-E148 HydrophobicContact CB-CB 4.44Å; W144-E148 HydrophobicContact CB-CG 4.07Å; W144-E148 WeakPolarHBondContact CB-OE2 3.27Å; W144-E148 HydrophobicContact CG-CG 4.19Å; S145-E148 PolarHBondContact N-OE2 2.67Å; S145-E148 WeakPolarHBondContact O-CB 3.31Å; S145-E148 PolarHBondContact O-N 3.03Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 PolarHBondContact OG-N 3.49Å; S145-E148 PolarHBondContact OG-OE2 2.98Å; E148-Y151 PolarHBondContact O-N 3.13Å; E148-F152 WeakPolarHBondContact O-CB 3.27Å; E148-F152 PolarHBondContact O-N 3.3Å; E148-V165 HydrophobicContact CG-CG1 4.34Å; E148-V165 HydrophobicContact CG-CG2 4.24Å
149A91.6Very high89Confident0 Ų059.8 Ų59.80%030%0.296CS..Hα-helixtrans-68.2-40.3173.400000113.1A135 F138 T139 W144 S145 F153A135-A149 HydrophobicContact CB-CB 4.01Å; A135-A149 WeakPolarHBondContact O-CB 3.22Å; F138-A149 HydrophobicContact CB-CB 3.95Å; T139-A149 HydrophobicContact CG2-CB 3.84Å; W144-A149 HydrophobicContact CE3-CB 4.4Å; S145-A149 PolarHBondContact O-N 3.03Å; A149-F153 WeakPolarHBondContact O-CB 3.48Å; A149-F153 PolarHBondContact O-N 3.26Å
150V92.7Very high89.1Confident26 Ų2663.2 Ų63.216%0.15831%0.311CS..Hα-helixtrans-62.8-44.5171.41680000110.6I131 F132 A135 Y146 F147 F153 F154I131-V150 HydrophobicContact CG2-CG1 4.24Å; F132-V150 HydrophobicContact CD1-CG2 3.91Å; F132-V150 HydrophobicContact CE1-CG1 4.5Å; F132-V150 HydrophobicContact CE1-CG2 4.12Å; A135-V150 HydrophobicContact CB-CB 4.22Å; A135-V150 HydrophobicContact CB-CG2 3.39Å; Y146-V150 HydrophobicContact CD1-CG2 4.15Å; Y146-V150 HydrophobicContact CE1-CG2 3.82Å; Y146-V150 WeakPolarHBondContact O-CG2 3.45Å; Y146-V150 PolarHBondContact O-N 3.05Å; F147-V150 PolarHBondContact O-N 3.48Å; V150-F153 PolarHBondContact O-N 3.45Å; V150-F154 VanDerWaalsContact O-CB 3.28Å; V150-F154 WeakPolarHBondContact O-CB 3.2Å; V150-F154 PolarHBondContact O-N 3.11Å
151Y92Very high89.1Confident74 Ų7459.1 Ų59.129%0.2930%0.303SS..Hα-helixtrans-60.6-54.3178.8170.6-104000111.6F147 E148 F153 F154 I155 L162 D164 V165F147-Y151 VanDerWaalsContact O-CB 3.23Å; F147-Y151 WeakPolarHBondContact O-CB 3.4Å; F147-Y151 PolarHBondContact O-N 2.87Å; E148-Y151 PolarHBondContact O-N 3.13Å; Y151-F153 VanDerWaalsContact C-N 3.27Å; Y151-F153 PolarHBondContact O-N 3.18Å; Y151-F154 PolarHBondContact O-N 3.32Å; Y151-F154 VanDerWaalsContact O-N 3.1Å; Y151-I155 HydrophobicContact CD1-CD1 4.46Å; Y151-I155 HydrophobicContact CD2-CG2 4.08Å; Y151-I155 HydrophobicContact CE1-CD1 3.98Å; Y151-I155 HydrophobicContact CE2-CG2 3.75Å; Y151-I155 WeakPolarHBondContact O-CG1 3.23Å; Y151-I155 PolarHBondContact O-N 3.46Å; Y151-L162 WeakPolarHBondContact OH-CD1 3.41Å; Y151-D164 VanDerWaalsContact CE1-OD2 3.26Å; Y151-D164 WeakPolarHBondContact CE1-OD2 3.49Å; Y151-D164 VanDerWaalsContact OH-CG 3.3Å; Y151-D164 PolarHBondContact OH-OD1 3.5Å; Y151-D164 PolarHBondContact OH-OD2 3.2Å; Y151-V165 HydrophobicContact CD1-CG2 4.21Å; Y151-V165 HydrophobicContact CE1-CG2 4.24Å
152F89.5Confident89.2Confident10 Ų1061.3 Ų61.34%0.04432%0.318CS..Hα-helixtrans-50.7-47.3176.1170-111.3000112.1F138 W144 E148 I155 S156 V165F138-F152 HydrophobicContact CE1-CE1 4.31Å; F138-F152 HydrophobicContact CE2-CE1 4.46Å; F138-F152 HydrophobicContact CZ-CE1 4.22Å; W144-F152 HydrophobicContact CH2-CD1 4.19Å; W144-F152 HydrophobicContact CH2-CE1 4.47Å; W144-F152 HydrophobicContact CH2-CG 4.21Å; W144-F152 HydrophobicContact CZ3-CB 4.18Å; W144-F152 AromaticContact CZ3-CD1 3.73Å; W144-F152 HydrophobicContact CZ3-CD1 3.73Å; W144-F152 HydrophobicContact CZ3-CE1 4.33Å; W144-F152 AromaticContact CZ3-CG 3.92Å; W144-F152 HydrophobicContact CZ3-CG 3.92Å; E148-F152 WeakPolarHBondContact O-CB 3.27Å; E148-F152 PolarHBondContact O-N 3.3Å; F152-I155 VanDerWaalsContact O-CG1 3.27Å; F152-I155 WeakPolarHBondContact O-CG1 3.34Å; F152-S156 WeakPolarHBondContact O-CB 3.26Å; F152-S156 PolarHBondContact O-N 3.02Å; F152-S156 VanDerWaalsContact O-N 3.12Å; F152-S156 PolarHBondContact O-OG 2.92Å; F152-V165 HydrophobicContact CB-CB 4.21Å; F152-V165 HydrophobicContact CB-CG1 4.01Å; F152-V165 HydrophobicContact CD2-CB 4.13Å; F152-V165 HydrophobicContact CD2-CG1 4.17Å; F152-V165 WeakPolarHBondContact CD2-O 3.43Å; F152-V165 WeakPolarHBondContact CE2-O 3.23Å; F152-V165 HydrophobicContact CG-CG1 4.25Å
153F90.3Very high89.4Confident0 Ų062.1 Ų62.10%033%0.327CS..Hα-helixtrans-72.8-35.8-178.5-160-108.9000112W130 I131 C134 F138 A149 V150 Y151 S156 L157 L179 V180W130-F153 AromaticContact CD1-CE1 3.76Å; W130-F153 AromaticContact CD1-CZ 3.85Å; W130-F153 AromaticContact NE1-CZ 3.69Å; I131-F153 HydrophobicContact CB-CD1 4.13Å; I131-F153 HydrophobicContact CG1-CD1 3.88Å; I131-F153 HydrophobicContact CG1-CE1 4.1Å; I131-F153 HydrophobicContact CG2-CD1 4.24Å; C134-F153 HydrophobicContact CB-CD1 3.87Å; C134-F153 HydrophobicContact CB-CD2 4.02Å; C134-F153 HydrophobicContact CB-CE1 3.61Å; C134-F153 HydrophobicContact CB-CE2 3.81Å; C134-F153 HydrophobicContact CB-CG 4.05Å; C134-F153 HydrophobicContact CB-CZ 3.6Å; C134-F153 WeakPolarHBondContact SG-CZ 3.38Å; F138-F153 HydrophobicContact CE2-CD2 4.2Å; A149-F153 WeakPolarHBondContact O-CB 3.48Å; A149-F153 PolarHBondContact O-N 3.26Å; V150-F153 PolarHBondContact O-N 3.45Å; Y151-F153 VanDerWaalsContact C-N 3.27Å; Y151-F153 PolarHBondContact O-N 3.18Å; F153-S156 PolarHBondContact O-N 2.88Å; F153-L157 HydrophobicContact CD1-CD1 4Å; F153-L157 HydrophobicContact CD1-CG 3.99Å; F153-L157 HydrophobicContact CE1-CD1 3.45Å; F153-L157 VanDerWaalsContact CE1-CD1 3.45Å; F153-L157 HydrophobicContact CE1-CD2 4.2Å; F153-L157 HydrophobicContact CE1-CG 3.78Å; F153-L157 HydrophobicContact CE2-CD2 4.27Å; F153-L157 HydrophobicContact CZ-CD1 3.97Å; F153-L157 HydrophobicContact CZ-CD2 3.96Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.5Å; F153-L157 WeakPolarHBondContact O-CG 3.39Å; F153-L157 PolarHBondContact O-N 2.88Å; F153-L179 HydrophobicContact CE2-CB 4.31Å; F153-V180 HydrophobicContact CD2-CG2 4.32Å; F153-V180 HydrophobicContact CE2-CG2 3.98Å
154F91.5Very high89.5Confident113 Ų11358 Ų5850%0.49631%0.31SS..Hα-helixtrans-65.1-46.8174.6-178.8-97.2000112.6V150 Y151 S156 L157 S158V150-F154 VanDerWaalsContact O-CB 3.28Å; V150-F154 WeakPolarHBondContact O-CB 3.2Å; V150-F154 PolarHBondContact O-N 3.11Å; Y151-F154 PolarHBondContact O-N 3.32Å; Y151-F154 VanDerWaalsContact O-N 3.1Å; F154-S156 PolarHBondContact O-N 3.25Å; F154-L157 PolarHBondContact O-N 2.96Å; F154-S158 WeakPolarHBondContact O-CB 3.38Å; F154-S158 PolarHBondContact O-N 3.4Å; F154-S158 PolarHBondContact O-OG 3.34Å
155I90.9Very high89.5Confident8 Ų856.9 Ų56.94%0.04131%0.308CS..Hα-helixtrans-66.5-26.1177.366.6173.8000112.3Y151 F152 S158 I160 G161 L162 D164Y151-I155 HydrophobicContact CD1-CD1 4.46Å; Y151-I155 HydrophobicContact CD2-CG2 4.08Å; Y151-I155 HydrophobicContact CE1-CD1 3.98Å; Y151-I155 HydrophobicContact CE2-CG2 3.75Å; Y151-I155 WeakPolarHBondContact O-CG1 3.23Å; Y151-I155 PolarHBondContact O-N 3.46Å; F152-I155 VanDerWaalsContact O-CG1 3.27Å; F152-I155 WeakPolarHBondContact O-CG1 3.34Å; I155-S158 WeakPolarHBondContact CA-OG 3.33Å; I155-S158 PolarHBondContact O-OG 2.82Å; I155-I160 PolarHBondContact O-N 3.13Å; I155-G161 PolarHBondContact O-N 2.99Å; I155-L162 HydrophobicContact CD1-CB 4.21Å; I155-L162 HydrophobicContact CG2-CD1 4.38Å; I155-D164 WeakPolarHBondContact CD1-OD1 3.4Å
156S89.9Confident89.2Confident27 Ų2756.1 Ų56.119%0.18930%0.3CS..Hα-helixtrans-75.1-46.3173.4-60.40000112F152 F153 F154 T159F152-S156 WeakPolarHBondContact O-CB 3.26Å; F152-S156 PolarHBondContact O-N 3.02Å; F152-S156 VanDerWaalsContact O-N 3.12Å; F152-S156 PolarHBondContact O-OG 2.92Å; F153-S156 PolarHBondContact O-N 2.88Å; F154-S156 PolarHBondContact O-N 3.25Å; S156-T159 PolarHBondContact O-N 3.28Å; S156-T159 VanDerWaalsContact O-N 3.15Å
157L90.3Very high88.7Confident9 Ų951.4 Ų51.45%0.04728%0.282CS..Hα-helixtrans-75-27.9-178.7-68.6-151.6000114.2I131 F153 F154 T159 V180 L184 V187I131-L157 HydrophobicContact CG1-CD1 4.01Å; F153-L157 HydrophobicContact CD1-CD1 4Å; F153-L157 HydrophobicContact CD1-CG 3.99Å; F153-L157 HydrophobicContact CE1-CD1 3.45Å; F153-L157 VanDerWaalsContact CE1-CD1 3.45Å; F153-L157 HydrophobicContact CE1-CD2 4.2Å; F153-L157 HydrophobicContact CE1-CG 3.78Å; F153-L157 HydrophobicContact CE2-CD2 4.27Å; F153-L157 HydrophobicContact CZ-CD1 3.97Å; F153-L157 HydrophobicContact CZ-CD2 3.96Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.5Å; F153-L157 WeakPolarHBondContact O-CG 3.39Å; F153-L157 PolarHBondContact O-N 2.88Å; F154-L157 PolarHBondContact O-N 2.96Å; L157-T159 PolarHBondContact O-N 3.45Å; L157-V180 HydrophobicContact CD2-CG1 4.35Å; L157-L184 HydrophobicContact CD2-CD2 4.46Å; L157-L184 HydrophobicContact CD2-CG 4.28Å; L157-V187 HydrophobicContact CB-CG2 4.16Å; L157-V187 HydrophobicContact CD1-CG2 4.25Å
158S89.9Confident88.1Confident41 Ų4147.7 Ų47.729%0.28727%0.27SS..THydrogen-bonded Turntrans-76.8-2.5169.254.90000113.1F154 I155 I160F154-S158 WeakPolarHBondContact O-CB 3.38Å; F154-S158 PolarHBondContact O-N 3.4Å; F154-S158 PolarHBondContact O-OG 3.34Å; I155-S158 WeakPolarHBondContact CA-OG 3.33Å; I155-S158 PolarHBondContact O-OG 2.82Å; S158-I160 PolarHBondContact O-N 2.81Å; S158-I160 WeakPolarHBondContact OG-CG1 3.29Å
159T88.6Confident87.6Confident113 Ų11350 Ų5069%0.69328%0.277SS*.THydrogen-bonded Turntrans58.211.7-176.360.90000115.7S156 L157 G161 L184S156-T159 PolarHBondContact O-N 3.28Å; S156-T159 VanDerWaalsContact O-N 3.15Å; L157-T159 PolarHBondContact O-N 3.45Å; T159-G161 VanDerWaalsContact C-N 3.33Å; T159-L184 HydrophobicContact CG2-CD2 3.58Å
160I90.2Very high86.7Confident107 Ų10754.8 Ų54.855%0.54931%0.308SS..  trans-64.5-39.9175.1-59.9172.7000110.3I155 S158 L162I155-I160 PolarHBondContact O-N 3.13Å; S158-I160 PolarHBondContact O-N 2.81Å; S158-I160 WeakPolarHBondContact OG-CG1 3.29Å; I160-L162 VanDerWaalsContact C-N 3.32Å; I160-L162 HydrophobicContact CG2-CD2 3.73Å; I160-L162 HydrophobicContact CG2-CG 3.82Å; I160-L162 PolarHBondContact O-N 3.03Å
161G85.6Confident86Confident52 Ų5263.9 Ų63.954%0.53634%0.339SS..  trans59.135.2165.800000115.5I155 T159 G163I155-G161 PolarHBondContact O-N 2.99Å; T159-G161 VanDerWaalsContact C-N 3.33Å; G161-G163 PolarHBondContact O-N 3.14Å
162L86.5Confident85.4Confident108 Ų10864.8 Ų64.857%0.56534%0.343SS*.  trans-49.2-29.8178.6-60176.5000113Y151 I155 I160 D164Y151-L162 WeakPolarHBondContact OH-CD1 3.41Å; I155-L162 HydrophobicContact CD1-CB 4.21Å; I155-L162 HydrophobicContact CG2-CD1 4.38Å; I160-L162 VanDerWaalsContact C-N 3.32Å; I160-L162 HydrophobicContact CG2-CD2 3.73Å; I160-L162 HydrophobicContact CG2-CG 3.82Å; I160-L162 PolarHBondContact O-N 3.03Å; L162-D164 WeakPolarHBondContact CB-OD1 3.29Å; L162-D164 PolarHBondContact O-N 2.86Å
163G83.1Confident84.9Confident20 Ų2066.9 Ų66.921%0.20635%0.353CS..  trans77.9-10.5175.200000113.9Y5 G161 V165 V166Y5-G163 WeakPolarHBondContact CB-O 3.35Å; Y5-G163 WeakPolarHBondContact CD2-O 3.48Å; G161-G163 PolarHBondContact O-N 3.14Å; G163-V165 CarbonylContact O-C 3.52Å; G163-V165 PolarHBondContact O-N 2.86Å; G163-V166 WeakPolarHBondContact O-CG2 3.41Å
164D85.5Confident84.6Confident74 Ų7473.4 Ų73.440%0.39639%0.387SS..SBendtrans-56.1-6.6-176.364.8-39.8000116.1Y5 Y151 I155 L162Y5-D164 VanDerWaalsContact CE2-C 3.44Å; Y5-D164 WeakPolarHBondContact CE2-O 3.38Å; Y151-D164 VanDerWaalsContact CE1-OD2 3.26Å; Y151-D164 WeakPolarHBondContact CE1-OD2 3.49Å; Y151-D164 VanDerWaalsContact OH-CG 3.3Å; Y151-D164 PolarHBondContact OH-OD1 3.5Å; Y151-D164 PolarHBondContact OH-OD2 3.2Å; I155-D164 WeakPolarHBondContact CD1-OD1 3.4Å; L162-D164 WeakPolarHBondContact CB-OD1 3.29Å; L162-D164 PolarHBondContact O-N 2.86Å
165V85.7Confident84.1Confident12 Ų1272.8 Ų72.87%0.07339%0.387CS..  trans-134.4133.1160.6-178.10000108.6W144 E148 Y151 F152 G163W144-V165 HydrophobicContact CD2-CG1 4.18Å; W144-V165 HydrophobicContact CE3-CG1 4.17Å; W144-V165 HydrophobicContact CH2-CG1 3.43Å; W144-V165 VanDerWaalsContact CH2-CG1 3.43Å; W144-V165 HydrophobicContact CZ2-CG1 3.44Å; W144-V165 VanDerWaalsContact CZ2-CG1 3.44Å; W144-V165 HydrophobicContact CZ3-CG1 3.82Å; E148-V165 HydrophobicContact CG-CG1 4.34Å; E148-V165 HydrophobicContact CG-CG2 4.24Å; Y151-V165 HydrophobicContact CD1-CG2 4.21Å; Y151-V165 HydrophobicContact CE1-CG2 4.24Å; F152-V165 HydrophobicContact CB-CB 4.21Å; F152-V165 HydrophobicContact CB-CG1 4.01Å; F152-V165 HydrophobicContact CD2-CB 4.13Å; F152-V165 HydrophobicContact CD2-CG1 4.17Å; F152-V165 WeakPolarHBondContact CD2-O 3.43Å; F152-V165 WeakPolarHBondContact CE2-O 3.23Å; F152-V165 HydrophobicContact CG-CG1 4.25Å; G163-V165 CarbonylContact O-C 3.52Å; G163-V165 PolarHBondContact O-N 2.86Å
166V83.3Confident83.8Confident48 Ų4873 Ų7329%0.29139%0.388SS..  trans-148140.5170.1179.20000108.2Y5 G163 M173Y5-V166 HydrophobicContact CD1-CB 3.52Å; Y5-V166 HydrophobicContact CD1-CG2 3.5Å; Y5-V166 HydrophobicContact CE1-CB 3.54Å; Y5-V166 HydrophobicContact CE1-CG2 4Å; Y5-V166 HydrophobicContact CG-CB 4.48Å; Y5-V166 HydrophobicContact CG-CG2 4.03Å; G163-V166 WeakPolarHBondContact O-CG2 3.41Å; V166-M173 HydrophobicContact CG1-CE 4.3Å
167P83Confident83.5Confident4 Ų478.9 Ų78.93%0.02641%0.407CS..  trans-52.9136.2-179.619.6-34.8000113.7E142 W144 M173E142-P167 VanDerWaalsContact CD-CB 3.45Å; E142-P167 HydrophobicContact CG-CB 3.84Å; E142-P167 WeakPolarHBondContact OE1-CB 3.39Å; W144-P167 HydrophobicContact CH2-CB 4.3Å; P167-M173 HydrophobicContact CG-CE 4.4Å; P167-M173 HydrophobicContact CG-CG 4.1Å; P167-M173 WeakPolarHBondContact O-CE 3.41Å
168D78.6Confident83.3Confident87 Ų8779.9 Ų79.947%0.46542%0.42SS..SBendtrans-82.3-20.7178.2-98.8-27.7000112.1R3 E142 P170R3-D168 IonicContact CZ-OD1 3.91Å; R3-D168 IonicContact NH1-OD1 2.66Å; R3-D168 PolarHBondContact NH1-OD1 2.93Å; R3-D168 IonicContact NH1-OD2 3.44Å; R3-D168 PolarHBondContact NH1-OD2 3.18Å; E142-D168 PolarHBondContact OE2-N 3.4Å; D168-P170 WeakPolarHBondContact O-CD 3.39Å
169Y80.6Confident83.3Confident117 Ų11779.1 Ų79.146%0.45941%0.412SS..  trans-95.6103.9-176.7-62.2-60000113.2W141 E142 R171 Y172W141-Y169 WeakPolarHBondContact O-CD2 3.49Å; W141-Y169 WeakPolarHBondContact O-CE2 3.5Å; E142-Y169 WeakPolarHBondContact OE1-CB 3.38Å; E142-Y169 WeakPolarHBondContact OE1-CD2 3.48Å; E142-Y169 PolarHBondContact OE1-N 3.19Å; Y169-R171 PolarHBondContact O-N 3.2Å; Y169-Y172 HydrophobicContact CD2-CD2 4.48Å; Y169-Y172 HydrophobicContact CG-CD2 4.43Å; Y169-Y172 PolarHBondContact O-N 3.11Å
170P72.7Confident83.2Confident100 Ų10074.8 Ų74.865%0.64939%0.385SS*.THydrogen-bonded Turntrans-63.9-15.7-176.525.7-35.8000114.3D168 Y172 M173D168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-M173 HydrophobicContact CB-SD 4.39Å
171R78.4Confident83.1Confident218 Ų21874.2 Ų74.282%0.82338%0.383SS*.THydrogen-bonded Turntrans-67.5-31.8174.7-65.4-175.7-178.6179.21.2112.9Y169Y169-R171 PolarHBondContact O-N 3.2Å
172Y79.5Confident83.3Confident93 Ų9374 Ų7437%0.36537%0.369SS..THydrogen-bonded Turntrans-96-11.9-178.4-57.1-59.4000113W141 Y169 P170 I174 M175 N176W141-Y172 HydrophobicContact CB-CD2 4.07Å; W141-Y172 HydrophobicContact CB-CE2 4.42Å; W141-Y172 HydrophobicContact CB-CG 4.33Å; W141-Y172 HydrophobicContact CD2-CD1 4.15Å; W141-Y172 HydrophobicContact CD2-CG 4.23Å; W141-Y172 HydrophobicContact CE3-CD1 4.39Å; W141-Y172 HydrophobicContact CE3-CG 4.28Å; W141-Y172 HydrophobicContact CG-CD1 4.37Å; W141-Y172 HydrophobicContact CG-CD2 4.39Å; W141-Y172 HydrophobicContact CG-CG 4.28Å; Y169-Y172 HydrophobicContact CD2-CD2 4.48Å; Y169-Y172 HydrophobicContact CG-CD2 4.43Å; Y169-Y172 PolarHBondContact O-N 3.11Å; P170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-I174 VanDerWaalsContact C-N 3.28Å; Y172-I174 PolarHBondContact O-N 2.81Å; Y172-M175 WeakPolarHBondContact O-CB 3.25Å; Y172-M175 PolarHBondContact O-N 2.98Å; Y172-N176 PolarHBondContact O-N 3.22Å
173M78.6Confident83.4Confident54 Ų5468.9 Ų68.927%0.26634%0.342SS..Hα-helixtrans-54.5-37.7179.1-77.3-174.2174.600113.9V166 P167 P170 M175 N176 Y177V166-M173 HydrophobicContact CG1-CE 4.3Å; P167-M173 HydrophobicContact CG-CE 4.4Å; P167-M173 HydrophobicContact CG-CG 4.1Å; P167-M173 WeakPolarHBondContact O-CE 3.41Å; P170-M173 HydrophobicContact CB-SD 4.39Å; M173-M175 VanDerWaalsContact C-N 3.31Å; M173-M175 PolarHBondContact O-N 3.01Å; M173-N176 WeakPolarHBondContact O-CB 3.16Å; M173-N176 PolarHBondContact O-N 3.42Å; M173-Y177 HydrophobicContact CB-CE2 4.41Å; M173-Y177 WeakPolarHBondContact O-CD2 3.31Å; M173-Y177 PolarHBondContact O-N 2.99Å
174I83.7Confident83.7Confident136 Ų13670.1 Ų70.170%0.69734%0.344SS*.Hα-helixtrans-68.5-30.6178.4-162.2165.3000112.6Y172 G178Y172-I174 VanDerWaalsContact C-N 3.28Å; Y172-I174 PolarHBondContact O-N 2.81Å; I174-G178 PolarHBondContact O-N 3.25Å
175M82.7Confident83.9Confident101 Ų10166.6 Ų66.650%0.49833%0.325SS..Hα-helixtrans-75.1-36.1171.9-61.5-170.476.800111.4W141 Y172 M173 G178 L179W141-M175 HydrophobicContact CH2-CB 3.89Å; W141-M175 HydrophobicContact CH2-CE 3.77Å; W141-M175 HydrophobicContact CH2-CG 4.46Å; W141-M175 HydrophobicContact CH2-SD 3.76Å; W141-M175 HydrophobicContact CZ2-CE 4.17Å; W141-M175 HydrophobicContact CZ2-SD 4.13Å; W141-M175 HydrophobicContact CZ3-CB 3.88Å; W141-M175 HydrophobicContact CZ3-SD 4.5Å; Y172-M175 WeakPolarHBondContact O-CB 3.25Å; Y172-M175 PolarHBondContact O-N 2.98Å; M173-M175 VanDerWaalsContact C-N 3.31Å; M173-M175 PolarHBondContact O-N 3.01Å; M175-G178 PolarHBondContact O-N 3.39Å; M175-L179 WeakPolarHBondContact O-CG 3.36Å; M175-L179 PolarHBondContact O-N 2.98Å
176N82.7Confident84.1Confident11 Ų1166.1 Ų66.16%0.05932%0.322CS..Hα-helixtrans-56.2-52171.7174.232.4000111.5F138 Y172 M173 G178 L179 V180F138-N176 HydrophobicContact CE1-CB 4Å; F138-N176 HydrophobicContact CZ-CB 3.75Å; F138-N176 WeakPolarHBondContact CZ-OD1 3.46Å; Y172-N176 PolarHBondContact O-N 3.22Å; M173-N176 WeakPolarHBondContact O-CB 3.16Å; M173-N176 PolarHBondContact O-N 3.42Å; N176-G178 PolarHBondContact O-N 3.02Å; N176-L179 PolarHBondContact O-N 2.93Å; N176-L179 VanDerWaalsContact O-N 3.08Å; N176-V180 WeakPolarHBondContact O-CG2 3.46Å; N176-V180 PolarHBondContact O-N 3.41Å; N176-V180 WeakPolarHBondContact OD1-CG2 3.35Å
177Y84.5Confident84.4Confident151 Ų15166 Ų6659%0.59232%0.321SS*.Hα-helixtrans-56.1-39.9175.9-68.9-60000112.2M173 V180 I181M173-Y177 HydrophobicContact CB-CE2 4.41Å; M173-Y177 WeakPolarHBondContact O-CD2 3.31Å; M173-Y177 PolarHBondContact O-N 2.99Å; Y177-V180 PolarHBondContact O-N 2.99Å; Y177-I181 VanDerWaalsContact O-CB 3.3Å; Y177-I181 WeakPolarHBondContact O-CB 3.35Å; Y177-I181 WeakPolarHBondContact O-CD1 3.2Å; Y177-I181 WeakPolarHBondContact O-CG1 3.31Å; Y177-I181 PolarHBondContact O-N 3.43Å
178G86.6Confident84.6Confident31 Ų3167.7 Ų67.732%0.3233%0.331SS..Hα-helixtrans-60.8-46.6173.600000113.9I174 M175 N176 I181 I182I174-G178 PolarHBondContact O-N 3.25Å; M175-G178 PolarHBondContact O-N 3.39Å; N176-G178 PolarHBondContact O-N 3.02Å; G178-I181 PolarHBondContact O-N 2.89Å; G178-I182 WeakPolarHBondContact O-CG1 3.21Å; G178-I182 PolarHBondContact O-N 3.29Å; G178-I182 VanDerWaalsContact O-N 3.09Å
179L89Confident85.1Confident24 Ų2463.9 Ų63.913%0.12631%0.311CS..Hα-helixtrans-65.5-39.2178.2-68.3176.4000112.5W130 I137 F138 W141 F153 M175 N176 G183W130-L179 HydrophobicContact CH2-CD2 4.25Å; W130-L179 HydrophobicContact CZ2-CD2 3.87Å; I137-L179 HydrophobicContact CG2-CD1 4.39Å; F138-L179 HydrophobicContact CE2-CD1 4.02Å; F138-L179 HydrophobicContact CZ-CD1 4.25Å; W141-L179 HydrophobicContact CZ3-CD1 4.35Å; F153-L179 HydrophobicContact CE2-CB 4.31Å; M175-L179 WeakPolarHBondContact O-CG 3.36Å; M175-L179 PolarHBondContact O-N 2.98Å; N176-L179 PolarHBondContact O-N 2.93Å; N176-L179 VanDerWaalsContact O-N 3.08Å; L179-G183 PolarHBondContact O-N 3.45Å
180V87.4Confident85.4Confident22 Ų2259 Ų5913%0.13329%0.294CS..Hα-helixtrans-68.3-43.1175.9172.90000111F153 L157 N176 Y177 I182 G183 L184F153-V180 HydrophobicContact CD2-CG2 4.32Å; F153-V180 HydrophobicContact CE2-CG2 3.98Å; L157-V180 HydrophobicContact CD2-CG1 4.35Å; N176-V180 WeakPolarHBondContact O-CG2 3.46Å; N176-V180 PolarHBondContact O-N 3.41Å; N176-V180 WeakPolarHBondContact OD1-CG2 3.35Å; Y177-V180 PolarHBondContact O-N 2.99Å; V180-I182 VanDerWaalsContact C-N 3.32Å; V180-I182 PolarHBondContact O-N 2.87Å; V180-G183 CarbonylContact O-C 3.37Å; V180-G183 PolarHBondContact O-N 3.37Å; V180-G183 VanDerWaalsContact O-N 3.11Å; V180-L184 HydrophobicContact CG1-CD1 3.89Å; V180-L184 HydrophobicContact CG1-CG 4.19Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 3.23Å
181I87.4Confident86.1Confident96 Ų9659.4 Ų59.449%0.49229%0.289SS..Hα-helixtrans-58.7-43.2175.7-75.7165000111.2F37 Y177 G178 S185F37-I181 HydrophobicContact CD1-CG2 4.15Å; F37-I181 HydrophobicContact CE1-CG2 3.51Å; F37-I181 WeakPolarHBondContact CE1-O 3.42Å; F37-I181 HydrophobicContact CZ-CG2 4.16Å; Y177-I181 VanDerWaalsContact O-CB 3.3Å; Y177-I181 WeakPolarHBondContact O-CB 3.35Å; Y177-I181 WeakPolarHBondContact O-CD1 3.2Å; Y177-I181 WeakPolarHBondContact O-CG1 3.31Å; Y177-I181 PolarHBondContact O-N 3.43Å; G178-I181 PolarHBondContact O-N 2.89Å; I181-S185 PolarHBondContact O-N 3.22Å; I181-S185 PolarHBondContact O-OG 2.89Å
182I88.9Confident86.5Confident47 Ų4751.5 Ų51.524%0.24127%0.268CS..Hα-helixtrans-65-44173.8-64.4163.6000110.9F37 M41 W130 G178 V180 L184 S185 L186F37-I182 HydrophobicContact CZ-CG1 4.18Å; M41-I182 HydrophobicContact CE-CB 4.23Å; M41-I182 HydrophobicContact CE-CG1 3.89Å; M41-I182 HydrophobicContact CE-CG2 3.78Å; M41-I182 HydrophobicContact SD-CG2 4.23Å; W130-I182 HydrophobicContact CD2-CG2 4.43Å; W130-I182 HydrophobicContact CH2-CD1 4.3Å; W130-I182 HydrophobicContact CH2-CG2 3.87Å; W130-I182 HydrophobicContact CZ2-CB 3.77Å; W130-I182 HydrophobicContact CZ2-CD1 4.1Å; W130-I182 HydrophobicContact CZ2-CG2 3.34Å; G178-I182 WeakPolarHBondContact O-CG1 3.21Å; G178-I182 PolarHBondContact O-N 3.29Å; G178-I182 VanDerWaalsContact O-N 3.09Å; V180-I182 VanDerWaalsContact C-N 3.32Å; V180-I182 PolarHBondContact O-N 2.87Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 2.93Å; I182-S185 PolarHBondContact O-N 3.4Å; I182-S185 PolarHBondContact O-OG 3.44Å; I182-S185 VanDerWaalsContact O-OG 3.13Å; I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.35Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 VanDerWaalsContact O-CG 3.22Å; I182-L186 WeakPolarHBondContact O-CG 3.19Å; I182-L186 PolarHBondContact O-N 3.16Å
183G90.1Very high86.8Confident0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-62-38.6177.900000113.5L179 V180 L186 V187L179-G183 PolarHBondContact O-N 3.45Å; V180-G183 CarbonylContact O-C 3.37Å; V180-G183 PolarHBondContact O-N 3.37Å; V180-G183 VanDerWaalsContact O-N 3.11Å; G183-L186 WeakPolarHBondContact O-CB 3.37Å; G183-L186 PolarHBondContact O-N 2.91Å; G183-V187 WeakPolarHBondContact O-CG2 3.36Å; G183-V187 PolarHBondContact O-N 2.85Å
184L89.2Confident87.2Confident47 Ų4748.5 Ų48.525%0.24626%0.261CS..Hα-helixtrans-67.2-43179-73.1171000112.1L157 T159 V180 I182 L186 V187 T188L157-L184 HydrophobicContact CD2-CD2 4.46Å; L157-L184 HydrophobicContact CD2-CG 4.28Å; T159-L184 HydrophobicContact CG2-CD2 3.58Å; V180-L184 HydrophobicContact CG1-CD1 3.89Å; V180-L184 HydrophobicContact CG1-CG 4.19Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 3.23Å; I182-L184 VanDerWaalsContact C-N 3.35Å; I182-L184 PolarHBondContact O-N 2.93Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-V187 WeakPolarHBondContact O-CB 3.47Å; L184-V187 PolarHBondContact O-N 3.11Å; L184-T188 PolarHBondContact O-N 3.25Å; L184-T188 PolarHBondContact O-OG1 3.02Å
185S88.3Confident87.3Confident0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-71-29.4175.657.10000112.9F37 M41 I181 I182 T188 V189F37-S185 WeakPolarHBondContact CD1-OG 3.39Å; F37-S185 WeakPolarHBondContact CE1-OG 3.38Å; M41-S185 WeakPolarHBondContact CG-OG 3.36Å; I181-S185 PolarHBondContact O-N 3.22Å; I181-S185 PolarHBondContact O-OG 2.89Å; I182-S185 PolarHBondContact O-N 3.4Å; I182-S185 PolarHBondContact O-OG 3.44Å; I182-S185 VanDerWaalsContact O-OG 3.13Å; S185-T188 WeakPolarHBondContact O-CB 3.46Å; S185-T188 PolarHBondContact O-N 3.05Å; S185-V189 WeakPolarHBondContact O-CG2 3.46Å; S185-V189 PolarHBondContact O-N 2.76Å
186L90Very high87.3Confident2 Ų241.8 Ų41.81%0.0123%0.229CC..Hα-helixtrans-62.8-39.9167.4-76.4178.2000112.2M41 I45 F126 T127 W130 I182 G183 L184 V189 C190M41-L186 HydrophobicContact CB-CD2 4.21Å; M41-L186 HydrophobicContact CG-CD2 4.48Å; I45-L186 HydrophobicContact CD1-CD2 3.64Å; I45-L186 HydrophobicContact CG1-CD2 4.04Å; F126-L186 HydrophobicContact CD1-CD1 4.37Å; F126-L186 HydrophobicContact CD1-CD2 3.89Å; F126-L186 HydrophobicContact CE1-CD1 4.02Å; F126-L186 HydrophobicContact CE1-CD2 3.75Å; T127-L186 HydrophobicContact CG2-CB 3.69Å; T127-L186 HydrophobicContact CG2-CD2 4.41Å; T127-L186 HydrophobicContact CG2-CG 4.47Å; W130-L186 HydrophobicContact CB-CD1 3.9Å; W130-L186 HydrophobicContact CD2-CD1 3.76Å; W130-L186 HydrophobicContact CE3-CD1 4.39Å; W130-L186 HydrophobicContact CG-CD1 3.48Å; W130-L186 VanDerWaalsContact CG-CD1 3.48Å; I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.35Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 VanDerWaalsContact O-CG 3.22Å; I182-L186 WeakPolarHBondContact O-CG 3.19Å; I182-L186 PolarHBondContact O-N 3.16Å; G183-L186 WeakPolarHBondContact O-CB 3.37Å; G183-L186 PolarHBondContact O-N 2.91Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L186-V189 PolarHBondContact O-N 3.29Å; L186-C190 PolarHBondContact O-N 2.84Å; L186-C190 VanDerWaalsContact O-N 3.09Å; L186-C190 PolarHBondContact O-SG 2.88Å; L186-C190 VanDerWaalsContact O-SG 3.35Å
187V90.3Very high87.5Confident45 Ų4544.2 Ų44.227%0.27324%0.239SC..Hα-helixtrans-64.6-44.1170.8171.10000111.1L157 G183 L184 V189 C190 I191L157-V187 HydrophobicContact CB-CG2 4.16Å; L157-V187 HydrophobicContact CD1-CG2 4.25Å; G183-V187 WeakPolarHBondContact O-CG2 3.36Å; G183-V187 PolarHBondContact O-N 2.85Å; L184-V187 WeakPolarHBondContact O-CB 3.47Å; L184-V187 PolarHBondContact O-N 3.11Å; V187-V189 VanDerWaalsContact C-N 3.32Å; V187-V189 PolarHBondContact O-N 2.94Å; V187-C190 WeakPolarHBondContact O-CB 3.26Å; V187-C190 PolarHBondContact O-N 3.19Å; V187-C190 VanDerWaalsContact O-N 3.07Å; V187-I191 HydrophobicContact CG1-CD1 3.96Å; V187-I191 HydrophobicContact CG1-CG1 4.48Å; V187-I191 WeakPolarHBondContact O-CG1 3.27Å; V187-I191 PolarHBondContact O-N 3.45Å
188T87.9Confident87.6Confident40 Ų4038.3 Ų38.325%0.24522%0.218CC..Hα-helixtrans-55.6-45.7174.7-47.90000111.7L184 S185 C190 I191 S192L184-T188 PolarHBondContact O-N 3.25Å; L184-T188 PolarHBondContact O-OG1 3.02Å; S185-T188 WeakPolarHBondContact O-CB 3.46Å; S185-T188 PolarHBondContact O-N 3.05Å; T188-C190 VanDerWaalsContact C-N 3.32Å; T188-C190 PolarHBondContact O-N 3.02Å; T188-I191 PolarHBondContact O-N 3.23Å; T188-S192 PolarHBondContact O-N 3.22Å; T188-S192 PolarHBondContact O-OG 3.06Å
189V87.8Confident87.5Confident7 Ų739 Ų394%0.04221%0.212CC..Hα-helixtrans-63.3-36.7176.8172.10000112G38 M41 F42 I45 S185 L186 V187 L193G38-V189 WeakPolarHBondContact O-CG2 3.49Å; M41-V189 HydrophobicContact CB-CG2 4.27Å; F42-V189 HydrophobicContact CB-CG1 4.27Å; F42-V189 HydrophobicContact CB-CG2 4.24Å; F42-V189 HydrophobicContact CD2-CG1 3.99Å; I45-V189 HydrophobicContact CD1-CB 4.4Å; I45-V189 HydrophobicContact CD1-CG1 3.79Å; S185-V189 WeakPolarHBondContact O-CG2 3.46Å; S185-V189 PolarHBondContact O-N 2.76Å; L186-V189 PolarHBondContact O-N 3.29Å; V187-V189 VanDerWaalsContact C-N 3.32Å; V187-V189 PolarHBondContact O-N 2.94Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.35Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.41Å; V189-L193 PolarHBondContact O-N 3.42Å
190C88.4Confident87.3Confident15 Ų1541.3 Ų41.310%0.10123%0.225CC..Hα-helixtrans-63.4-45.4173.6-70.50000112T127 L186 V187 T188 L193 V194T127-C190 WeakPolarHBondContact CG2-SG 3.34Å; T127-C190 PolarHBondContact OG1-SG 3.03Å; T127-C190 VanDerWaalsContact OG1-SG 3.38Å; L186-C190 PolarHBondContact O-N 2.84Å; L186-C190 VanDerWaalsContact O-N 3.09Å; L186-C190 PolarHBondContact O-SG 2.88Å; L186-C190 VanDerWaalsContact O-SG 3.35Å; V187-C190 WeakPolarHBondContact O-CB 3.26Å; V187-C190 PolarHBondContact O-N 3.19Å; V187-C190 VanDerWaalsContact O-N 3.07Å; T188-C190 VanDerWaalsContact C-N 3.32Å; T188-C190 PolarHBondContact O-N 3.02Å; C190-L193 PolarHBondContact O-N 2.85Å; C190-V194 WeakPolarHBondContact O-CB 3.44Å; C190-V194 VanDerWaalsContact O-CG2 3.3Å; C190-V194 WeakPolarHBondContact O-CG2 3.2Å; C190-V194 PolarHBondContact O-N 2.71Å
191I87.4Confident87.3Confident107 Ų10744.7 Ų44.755%0.54924%0.241SC..Hα-helixtrans-59.4-51.4178.5-65.7166.5000110V187 T188 L193 V194 E195V187-I191 HydrophobicContact CG1-CD1 3.96Å; V187-I191 HydrophobicContact CG1-CG1 4.48Å; V187-I191 WeakPolarHBondContact O-CG1 3.27Å; V187-I191 PolarHBondContact O-N 3.45Å; T188-I191 PolarHBondContact O-N 3.23Å; I191-L193 VanDerWaalsContact C-N 3.29Å; I191-L193 PolarHBondContact O-N 2.97Å; I191-V194 PolarHBondContact O-N 3.17Å; I191-E195 VanDerWaalsContact O-CB 3.28Å; I191-E195 WeakPolarHBondContact O-CB 3.2Å; I191-E195 PolarHBondContact O-N 3.05Å
192S85.4Confident87.1Confident52 Ų5240.1 Ų40.136%0.36422%0.218SC..Hα-helixtrans-63.6-29.6179-580000114.1T188 A196T188-S192 PolarHBondContact O-N 3.22Å; T188-S192 PolarHBondContact O-OG 3.06Å; S192-A196 VanDerWaalsContact O-CB 3.28Å; S192-A196 WeakPolarHBondContact O-CB 3.19Å; S192-A196 PolarHBondContact O-N 3.36Å; S192-A196 VanDerWaalsContact O-N 3.1Å
193L86.8Confident86.9Confident24 Ų2441.5 Ų41.513%0.12622%0.221CC..Hα-helixtrans-79.8-33.9176-75.5173.2000113.2F42 A123 V189 C190 I191 K197F42-L193 HydrophobicContact CD2-CD1 4.28Å; F42-L193 HydrophobicContact CE2-CD1 4.16Å; F42-L193 HydrophobicContact CE2-CD2 3.93Å; F42-L193 HydrophobicContact CE2-CG 4.48Å; A123-L193 HydrophobicContact CB-CD1 3.48Å; A123-L193 VanDerWaalsContact CB-CD1 3.48Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.35Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.41Å; V189-L193 PolarHBondContact O-N 3.42Å; C190-L193 PolarHBondContact O-N 2.85Å; I191-L193 VanDerWaalsContact C-N 3.29Å; I191-L193 PolarHBondContact O-N 2.97Å; L193-K197 WeakPolarHBondContact O-CB 3.31Å; L193-K197 WeakPolarHBondContact O-CG 3.38Å; L193-K197 PolarHBondContact O-N 3.46Å
194V87.3Confident86.6Confident61 Ų6145.1 Ų45.137%0.3724%0.24SC..Hα-helixtrans-65.8-50.1171.11670000109.4V120 C190 I191 K197 I198V120-V194 HydrophobicContact CG1-CG2 3.71Å; C190-V194 WeakPolarHBondContact O-CB 3.44Å; C190-V194 VanDerWaalsContact O-CG2 3.3Å; C190-V194 WeakPolarHBondContact O-CG2 3.2Å; C190-V194 PolarHBondContact O-N 2.71Å; I191-V194 PolarHBondContact O-N 3.17Å; V194-K197 CarbonylContact O-C 3.54Å; V194-K197 PolarHBondContact O-N 3.01Å; V194-K197 VanDerWaalsContact O-N 3.08Å; V194-I198 HydrophobicContact CG1-CD1 3.63Å; V194-I198 HydrophobicContact CG1-CG1 4.34Å; V194-I198 WeakPolarHBondContact O-CG1 3.39Å; V194-I198 PolarHBondContact O-N 3.36Å
195E85.2Confident86.4Confident73 Ų7343.4 Ų43.434%0.34123%0.231SC..Hα-helixtrans-53.1-57.5176.1-178.9-173-140.600112I191 K197 I198 E199 K251I191-E195 VanDerWaalsContact O-CB 3.28Å; I191-E195 WeakPolarHBondContact O-CB 3.2Å; I191-E195 PolarHBondContact O-N 3.05Å; E195-K197 PolarHBondContact O-N 3.49Å; E195-I198 WeakPolarHBondContact O-CB 3.33Å; E195-I198 PolarHBondContact O-N 2.82Å; E195-E199 WeakPolarHBondContact O-CG 3.34Å; E195-E199 PolarHBondContact O-N 3.38Å; E195-K251 IonicContact OE1-NZ 2.66Å; E195-K251 PolarHBondContact OE1-NZ 3.11Å; E195-K251 IonicContact OE2-NZ 3.72Å
196A83.6Confident86.2Confident22 Ų2243.7 Ų43.718%0.18223%0.233CC..Hα-helixtrans-61.5-16.6179.800000113.9S192 L200S192-A196 VanDerWaalsContact O-CB 3.28Å; S192-A196 WeakPolarHBondContact O-CB 3.19Å; S192-A196 PolarHBondContact O-N 3.36Å; S192-A196 VanDerWaalsContact O-N 3.1Å; A196-L200 WeakPolarHBondContact O-CD1 3.24Å; A196-L200 WeakPolarHBondContact O-CG 3.42Å; A196-L200 PolarHBondContact O-N 2.88Å
197K86.1Confident85.9Confident63 Ų6348.1 Ų48.127%0.27425%0.252SS..Hα-helixtrans-97.8-25.2176.6-76.1-93.5171.9-167.50113V120 L193 V194 E195 L200 L201V120-K197 HydrophobicContact CG2-CB 3.81Å; V120-K197 HydrophobicContact CG2-CD 4.14Å; V120-K197 HydrophobicContact CG2-CG 3.47Å; V120-K197 VanDerWaalsContact CG2-CG 3.47Å; L193-K197 WeakPolarHBondContact O-CB 3.31Å; L193-K197 WeakPolarHBondContact O-CG 3.38Å; L193-K197 PolarHBondContact O-N 3.46Å; V194-K197 CarbonylContact O-C 3.54Å; V194-K197 PolarHBondContact O-N 3.01Å; V194-K197 VanDerWaalsContact O-N 3.08Å; E195-K197 PolarHBondContact O-N 3.49Å; K197-L200 HydrophobicContact CD-CD1 3.98Å; K197-L200 HydrophobicContact CG-CD1 4.48Å; K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 WeakPolarHBondContact O-CG 3.13Å; K197-L201 PolarHBondContact O-N 3.04Å
198I87.3Confident85.7Confident26 Ų2654 Ų5413%0.13327%0.269CS..Hα-helixtrans-64.1-45163.3-70.7165.7000109.4V194 E195 L200 L201 Y202 L243 L246 I247V194-I198 HydrophobicContact CG1-CD1 3.63Å; V194-I198 HydrophobicContact CG1-CG1 4.34Å; V194-I198 WeakPolarHBondContact O-CG1 3.39Å; V194-I198 PolarHBondContact O-N 3.36Å; E195-I198 WeakPolarHBondContact O-CB 3.33Å; E195-I198 PolarHBondContact O-N 2.82Å; I198-L200 PolarHBondContact O-N 2.75Å; I198-L201 PolarHBondContact O-N 3.35Å; I198-Y202 WeakPolarHBondContact O-CB 3.15Å; I198-Y202 PolarHBondContact O-N 2.84Å; I198-L243 HydrophobicContact CB-CD2 4.32Å; I198-L243 HydrophobicContact CG1-CD2 4.3Å; I198-L243 HydrophobicContact CG2-CD2 3.87Å; I198-L246 HydrophobicContact CD1-CB 4.16Å; I198-L246 HydrophobicContact CD1-CD1 4.1Å; I198-L246 HydrophobicContact CG2-CB 4.25Å; I198-I247 HydrophobicContact CG2-CD1 3.73Å; I198-I247 HydrophobicContact CG2-CG1 3.4Å; I198-I247 VanDerWaalsContact CG2-CG1 3.4Å
199E84.3Confident85.5Confident45 Ų4552.1 Ų52.121%0.2126%0.258CS..Hα-helixtrans-55.8-46.9173.9-66.8176.2179.700111.9E195 Y202 Y203 K251 I255E195-E199 WeakPolarHBondContact O-CG 3.34Å; E195-E199 PolarHBondContact O-N 3.38Å; E199-Y202 PolarHBondContact O-N 3.3Å; E199-Y203 PolarHBondContact O-N 3.19Å; E199-Y203 VanDerWaalsContact O-N 3.09Å; E199-K251 WeakPolarHBondContact OE1-CD 3.42Å; E199-K251 WeakPolarHBondContact OE1-CE 3.47Å; E199-K251 IonicContact OE1-NZ 2.74Å; E199-K251 PolarHBondContact OE1-NZ 2.85Å; E199-I255 HydrophobicContact CB-CD1 3.92Å; E199-I255 HydrophobicContact CG-CD1 3.99Å
200L84.9Confident85.3Confident73 Ų7352.2 Ų52.238%0.38226%0.257SS..Hα-helixtrans-66.3-41.4176.8-74.2169.2000113A196 K197 I198 Y202 Y203 D204A196-L200 WeakPolarHBondContact O-CD1 3.24Å; A196-L200 WeakPolarHBondContact O-CG 3.42Å; A196-L200 PolarHBondContact O-N 2.88Å; K197-L200 HydrophobicContact CD-CD1 3.98Å; K197-L200 HydrophobicContact CG-CD1 4.48Å; I198-L200 PolarHBondContact O-N 2.75Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.28Å; L200-Y203 PolarHBondContact O-N 3.27Å; L200-D204 PolarHBondContact O-N 3.44Å
201L85.9Confident85Confident93 Ų9352.5 Ų52.549%0.48726%0.263SS..Hα-helixtrans-65.9-34.4178.1-76.9168.8000112.1K197 I198 L205 L243K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 WeakPolarHBondContact O-CG 3.13Å; K197-L201 PolarHBondContact O-N 3.04Å; I198-L201 PolarHBondContact O-N 3.35Å; L201-L205 VanDerWaalsContact O-CB 3.24Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 PolarHBondContact O-N 2.87Å; L201-L243 HydrophobicContact CB-CD1 3.97Å; L201-L243 HydrophobicContact CB-CD2 4.01Å; L201-L243 HydrophobicContact CD1-CD2 4.42Å
202Y84.4Confident84.7Confident1 Ų150.4 Ų50.40%0.00425%0.251CS..Hα-helixtrans-67.4-44.8173-178.4-100.3000111.5I198 E199 L200 L205 L206 W234 I247 I255I198-Y202 WeakPolarHBondContact O-CB 3.15Å; I198-Y202 PolarHBondContact O-N 2.84Å; E199-Y202 PolarHBondContact O-N 3.3Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.28Å; Y202-L205 WeakPolarHBondContact O-CB 3.29Å; Y202-L205 PolarHBondContact O-N 3.2Å; Y202-L206 HydrophobicContact CD1-CD1 3.98Å; Y202-L206 HydrophobicContact CD2-CD1 4.06Å; Y202-L206 HydrophobicContact CE1-CD1 3.72Å; Y202-L206 HydrophobicContact CE1-CD2 4.06Å; Y202-L206 HydrophobicContact CE2-CD1 3.82Å; Y202-L206 HydrophobicContact CG-CD1 4.14Å; Y202-L206 VanDerWaalsContact O-CD1 3.31Å; Y202-L206 WeakPolarHBondContact O-CD1 3.21Å; Y202-L206 PolarHBondContact O-N 2.87Å; Y202-W234 HydrophobicContact CD2-CH2 4.49Å; Y202-W234 HydrophobicContact CE2-CH2 4.01Å; Y202-I247 VanDerWaalsContact CB-CD1 3.5Å; Y202-I247 HydrophobicContact CD1-CD1 4.23Å; Y202-I247 HydrophobicContact CD2-CD1 3.69Å; Y202-I247 HydrophobicContact CE2-CD1 4.44Å; Y202-I247 HydrophobicContact CG-CD1 3.56Å; Y202-I255 HydrophobicContact CD1-CB 4.13Å; Y202-I255 HydrophobicContact CD1-CD1 4.16Å; Y202-I255 HydrophobicContact CD1-CG2 3.74Å; Y202-I255 HydrophobicContact CE1-CB 4.19Å; Y202-I255 HydrophobicContact CE1-CG2 4.1Å
203Y83.4Confident84.4Confident75 Ų7548.7 Ų48.729%0.29424%0.237SC..Hα-helixtrans-62-44174.7-174-92.9000112.7E199 L200 L205 L206 K207 I255 F259E199-Y203 PolarHBondContact O-N 3.19Å; E199-Y203 VanDerWaalsContact O-N 3.09Å; L200-Y203 PolarHBondContact O-N 3.27Å; Y203-L205 VanDerWaalsContact C-N 3.29Å; Y203-L205 PolarHBondContact O-N 3.03Å; Y203-L206 PolarHBondContact O-N 2.79Å; Y203-K207 WeakPolarHBondContact O-CB 3.14Å; Y203-K207 PolarHBondContact O-N 3.3Å; Y203-I255 HydrophobicContact CD2-CG2 3.98Å; Y203-F259 HydrophobicContact CD2-CB 4.44Å; Y203-F259 HydrophobicContact CD2-CD2 4.24Å; Y203-F259 HydrophobicContact CE2-CB 4.11Å; Y203-F259 AromaticContact CE2-CD2 3.8Å; Y203-F259 HydrophobicContact CE2-CD2 3.8Å; Y203-F259 HydrophobicContact CE2-CG 4.48Å
204D84.5Confident84.1Confident77 Ų7750.5 Ų50.541%0.41225%0.245SC..Hα-helixtrans-64-32.7174.4-89.5-12.3000112.4L200 R208L200-D204 PolarHBondContact O-N 3.44Å; D204-R208 VanDerWaalsContact O-CG 3.23Å; D204-R208 WeakPolarHBondContact O-CG 3.49Å; D204-R208 PolarHBondContact O-N 3.12Å
205L86.1Confident84Confident11 Ų1151.9 Ų51.96%0.05825%0.246CC..Hα-helixtrans-68.1-50.2174.5177.668.1000111.4L201 Y202 Y203 K207 R208 I209 W234 A240 L243L201-L205 VanDerWaalsContact O-CB 3.24Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 PolarHBondContact O-N 2.87Å; Y202-L205 WeakPolarHBondContact O-CB 3.29Å; Y202-L205 PolarHBondContact O-N 3.2Å; Y203-L205 VanDerWaalsContact C-N 3.29Å; Y203-L205 PolarHBondContact O-N 3.03Å; L205-K207 VanDerWaalsContact C-N 3.27Å; L205-K207 PolarHBondContact O-N 3.39Å; L205-R208 PolarHBondContact O-N 2.94Å; L205-I209 HydrophobicContact CD1-CD1 3.79Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 WeakPolarHBondContact O-CG1 3.38Å; L205-I209 PolarHBondContact O-N 3.27Å; L205-W234 HydrophobicContact CD2-CE3 4.19Å; L205-W234 HydrophobicContact CD2-CH2 3.94Å; L205-W234 HydrophobicContact CD2-CZ3 3.63Å; L205-W234 HydrophobicContact CG-CZ3 4.26Å; L205-A240 HydrophobicContact CD1-CB 4.44Å; L205-A240 HydrophobicContact CD2-CB 3.6Å; L205-L243 HydrophobicContact CD2-CD1 4.28Å
206L84.2Confident83.7Confident6 Ų650 Ų503%0.03124%0.237CC..Hα-helixtrans-54.2-46.2174.2-94.666000110.6Y202 Y203 R208 I209 F210 W234 L256 F259Y202-L206 HydrophobicContact CD1-CD1 3.98Å; Y202-L206 HydrophobicContact CD2-CD1 4.06Å; Y202-L206 HydrophobicContact CE1-CD1 3.72Å; Y202-L206 HydrophobicContact CE1-CD2 4.06Å; Y202-L206 HydrophobicContact CE2-CD1 3.82Å; Y202-L206 HydrophobicContact CG-CD1 4.14Å; Y202-L206 VanDerWaalsContact O-CD1 3.31Å; Y202-L206 WeakPolarHBondContact O-CD1 3.21Å; Y202-L206 PolarHBondContact O-N 2.87Å; Y203-L206 PolarHBondContact O-N 2.79Å; L206-R208 PolarHBondContact O-N 3.49Å; L206-I209 PolarHBondContact O-N 3.19Å; L206-F210 WeakPolarHBondContact O-CB 3.35Å; L206-F210 PolarHBondContact O-N 2.94Å; L206-W234 HydrophobicContact CD1-CZ3 4.29Å; L206-L256 HydrophobicContact CD2-CD1 4Å; L206-F259 HydrophobicContact CB-CD1 4.48Å; L206-F259 HydrophobicContact CB-CD2 4.12Å; L206-F259 HydrophobicContact CB-CE2 4.2Å; L206-F259 HydrophobicContact CB-CG 4.28Å; L206-F259 HydrophobicContact CB-CZ 4.41Å; L206-F259 HydrophobicContact CD2-CB 4.17Å; L206-F259 HydrophobicContact CD2-CD1 4.24Å; L206-F259 HydrophobicContact CD2-CG 4.09Å
207K83.6Confident83.6Confident94 Ų9452 Ų5241%0.40924%0.244SC..Hα-helixtrans-61.9-39.3178.7-165.1-179.2-174.2-170.50113.4Y203 L205 G211 F259Y203-K207 WeakPolarHBondContact O-CB 3.14Å; Y203-K207 PolarHBondContact O-N 3.3Å; L205-K207 VanDerWaalsContact C-N 3.27Å; L205-K207 PolarHBondContact O-N 3.39Å; K207-G211 PolarHBondContact O-N 2.78Å; K207-F259 HydrophobicContact CB-CE2 3.99Å; K207-F259 HydrophobicContact CG-CE2 4.4Å
208R85.4Confident83.3Confident169 Ų16953.3 Ų53.364%0.63827%0.267SS*.Hα-helixtrans-66.1-44.1174.3-72.5166.6-170.2-146.43.5111.7D204 L205 L206 G211 E212D204-R208 VanDerWaalsContact O-CG 3.23Å; D204-R208 WeakPolarHBondContact O-CG 3.49Å; D204-R208 PolarHBondContact O-N 3.12Å; L205-R208 PolarHBondContact O-N 2.94Å; L206-R208 PolarHBondContact O-N 3.49Å; R208-G211 PolarHBondContact O-N 2.92Å; R208-E212 PolarHBondContact O-N 2.98Å
209I83.5Confident83Confident1 Ų161.2 Ų61.21%0.00530%0.295CS..Hα-helixtrans-67-44.7-176.7-71175.3000111L205 L206 G211 E212 Y213 M230 L233 W234L205-I209 HydrophobicContact CD1-CD1 3.79Å; L205-I209 HydrophobicContact CD1-CG1 4.31Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 WeakPolarHBondContact O-CG1 3.38Å; L205-I209 PolarHBondContact O-N 3.27Å; L206-I209 PolarHBondContact O-N 3.19Å; I209-G211 VanDerWaalsContact C-N 3.31Å; I209-G211 PolarHBondContact O-N 3.37Å; I209-E212 PolarHBondContact O-N 3.14Å; I209-Y213 PolarHBondContact O-N 3.13Å; I209-M230 HydrophobicContact CG2-CB 4.19Å; I209-M230 HydrophobicContact CG2-CG 3.53Å; I209-M230 HydrophobicContact CG2-SD 4.08Å; I209-L233 HydrophobicContact CG1-CD2 4Å; I209-L233 HydrophobicContact CG1-CG 4.14Å; I209-W234 HydrophobicContact CD1-CB 4.11Å; I209-W234 HydrophobicContact CD1-CD2 4.3Å; I209-W234 HydrophobicContact CD1-CE3 3.49Å; I209-W234 VanDerWaalsContact CD1-CE3 3.49Å; I209-W234 HydrophobicContact CD1-CZ3 4.26Å
210F84.4Confident82.5Confident8 Ų862.4 Ų62.44%0.03532%0.319CS..Hα-helixtrans-63.8-35.5171.9-169.5-104.2000112.5L206 E212 Y213 Q214 F259 V263 M268 V270 F274L206-F210 WeakPolarHBondContact O-CB 3.35Å; L206-F210 PolarHBondContact O-N 2.94Å; F210-E212 PolarHBondContact O-N 3.42Å; F210-Y213 HydrophobicContact CD2-CD1 4.2Å; F210-Y213 AromaticContact CE2-CD1 3.99Å; F210-Y213 HydrophobicContact CE2-CD1 3.99Å; F210-Y213 HydrophobicContact CE2-CE1 4.48Å; F210-Y213 WeakPolarHBondContact O-CB 3.35Å; F210-Y213 PolarHBondContact O-N 3.39Å; F210-Q214 HydrophobicContact CD1-CG 4.16Å; F210-Q214 HydrophobicContact CE1-CG 3.78Å; F210-Q214 VanDerWaalsContact CE1-NE2 3.25Å; F210-Q214 HydrophobicContact CZ-CG 3.99Å; F210-Q214 WeakPolarHBondContact O-CG 3.4Å; F210-Q214 PolarHBondContact O-N 3.18Å; F210-F259 HydrophobicContact CB-CE1 3.97Å; F210-F259 HydrophobicContact CB-CZ 3.55Å; F210-F259 HydrophobicContact CD1-CZ 4.11Å; F210-F259 HydrophobicContact CD2-CE1 4.31Å; F210-F259 HydrophobicContact CG-CE1 4.02Å; F210-F259 AromaticContact CG-CZ 3.83Å; F210-F259 HydrophobicContact CG-CZ 3.83Å; F210-V263 HydrophobicContact CD1-CG2 4.16Å; F210-V263 HydrophobicContact CE1-CB 4.45Å; F210-V263 HydrophobicContact CE1-CG1 3.55Å; F210-V263 HydrophobicContact CE1-CG2 3.92Å; F210-V263 HydrophobicContact CE2-CG1 4.3Å; F210-V263 HydrophobicContact CZ-CG1 3.43Å; F210-V263 VanDerWaalsContact CZ-CG1 3.43Å; F210-V263 HydrophobicContact CZ-CG2 4.4Å; F210-M268 HydrophobicContact CE1-CE 4.41Å; F210-V270 HydrophobicContact CE2-CG1 4.22Å; F210-F274 HydrophobicContact CD2-CE2 4.07Å; F210-F274 HydrophobicContact CD2-CZ 4.32Å
211G82Confident81.8Confident22 Ų2261 Ų6123%0.22732%0.316CS..Hα-helixtrans-59.9-41172.700000113.4K207 R208 I209 K215K207-G211 PolarHBondContact O-N 2.78Å; R208-G211 PolarHBondContact O-N 2.92Å; I209-G211 VanDerWaalsContact C-N 3.31Å; I209-G211 PolarHBondContact O-N 3.37Å; G211-K215 VanDerWaalsContact O-CG 3.26Å; G211-K215 WeakPolarHBondContact O-CG 3.25Å; G211-K215 PolarHBondContact O-N 2.79Å
212E80.6Confident81.3Confident62 Ų6258.4 Ų58.429%0.2931%0.311SS..Hα-helixtrans-76-29.4174.3-64.8-53.3138.700113.1R208 I209 F210 K215 Q216 L233R208-E212 PolarHBondContact O-N 2.98Å; I209-E212 PolarHBondContact O-N 3.14Å; F210-E212 PolarHBondContact O-N 3.42Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact OE1-CD 3.3Å; E212-K215 WeakPolarHBondContact OE1-CD 3.46Å; E212-K215 WeakPolarHBondContact OE1-CE 3.43Å; E212-K215 IonicContact OE1-NZ 3.44Å; E212-K215 PolarHBondContact OE1-NZ 3.01Å; E212-K215 VanDerWaalsContact OE2-CD 3.3Å; E212-K215 WeakPolarHBondContact OE2-CD 3.19Å; E212-Q216 WeakPolarHBondContact O-CG 3.3Å; E212-Q216 PolarHBondContact O-N 3.3Å; E212-Q216 PolarHBondContact O-NE2 3.14Å; E212-L233 HydrophobicContact CB-CD2 3.81Å; E212-L233 HydrophobicContact CG-CD2 3.6Å
213Y78.7Confident80.9Confident16 Ų1663.8 Ų63.86%0.06334%0.335CS..Hα-helixtrans-57.7-51.3167.6175.5-104.4000110.8I209 F210 K215 Q216 L217 A226 Q227 M230 P271I209-Y213 PolarHBondContact O-N 3.13Å; F210-Y213 HydrophobicContact CD2-CD1 4.2Å; F210-Y213 AromaticContact CE2-CD1 3.99Å; F210-Y213 HydrophobicContact CE2-CD1 3.99Å; F210-Y213 HydrophobicContact CE2-CE1 4.48Å; F210-Y213 WeakPolarHBondContact O-CB 3.35Å; F210-Y213 PolarHBondContact O-N 3.39Å; Y213-K215 PolarHBondContact O-N 3.44Å; Y213-Q216 PolarHBondContact O-N 3.44Å; Y213-Q216 VanDerWaalsContact O-N 3.13Å; Y213-L217 HydrophobicContact CD1-CD1 4.16Å; Y213-L217 HydrophobicContact CE1-CD1 3.45Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.45Å; Y213-L217 HydrophobicContact CE1-CG 4.17Å; Y213-L217 PolarHBondContact O-N 2.91Å; Y213-L217 VanDerWaalsContact O-N 3.11Å; Y213-A226 VanDerWaalsContact CD2-C 3.49Å; Y213-A226 HydrophobicContact CD2-CB 3.58Å; Y213-A226 HydrophobicContact CE2-CB 3.5Å; Y213-A226 VanDerWaalsContact CE2-CB 3.5Å; Y213-A226 HydrophobicContact CG-CB 4.5Å; Y213-Q227 HydrophobicContact CE2-CG 3.97Å; Y213-M230 HydrophobicContact CD2-CB 4.49Å; Y213-M230 HydrophobicContact CD2-SD 4.04Å; Y213-M230 HydrophobicContact CG-SD 4.09Å; Y213-P271 HydrophobicContact CD1-CG 4.11Å; Y213-P271 HydrophobicContact CE1-CG 3.41Å; Y213-P271 VanDerWaalsContact CE1-CG 3.41Å; Y213-P271 HydrophobicContact CE2-CG 3.95Å; Y213-P271 WeakPolarHBondContact OH-CG 3.41Å
214Q80.9Confident80.2Confident63 Ų6363.1 Ų63.129%0.29434%0.335SS..Hα-helixtrans-65.8-37.1179.2-68.3-166.7-46.100113.3F210 Q216 L217 A218 M268F210-Q214 HydrophobicContact CD1-CG 4.16Å; F210-Q214 HydrophobicContact CE1-CG 3.78Å; F210-Q214 VanDerWaalsContact CE1-NE2 3.25Å; F210-Q214 HydrophobicContact CZ-CG 3.99Å; F210-Q214 WeakPolarHBondContact O-CG 3.4Å; F210-Q214 PolarHBondContact O-N 3.18Å; Q214-Q216 PolarHBondContact O-N 3Å; Q214-L217 PolarHBondContact O-N 2.89Å; Q214-A218 VanDerWaalsContact O-CB 3.28Å; Q214-A218 WeakPolarHBondContact O-CB 3.21Å; Q214-A218 PolarHBondContact O-N 3.19Å; Q214-M268 PolarHBondContact NE2-SD 3.23Å
215K84.3Confident79.7Confident89 Ų8963.3 Ų63.339%0.38734%0.336SS..Hα-helixtrans-63-26.9173.3-75.6166.3-176.1-1800113.2G211 E212 Y213 R219G211-K215 VanDerWaalsContact O-CG 3.26Å; G211-K215 WeakPolarHBondContact O-CG 3.25Å; G211-K215 PolarHBondContact O-N 2.79Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 VanDerWaalsContact OE1-CD 3.3Å; E212-K215 WeakPolarHBondContact OE1-CD 3.46Å; E212-K215 WeakPolarHBondContact OE1-CE 3.43Å; E212-K215 IonicContact OE1-NZ 3.44Å; E212-K215 PolarHBondContact OE1-NZ 3.01Å; E212-K215 VanDerWaalsContact OE2-CD 3.3Å; E212-K215 WeakPolarHBondContact OE2-CD 3.19Å; Y213-K215 PolarHBondContact O-N 3.44Å; K215-R219 WeakPolarHBondContact O-CD 3.3Å; K215-R219 VanDerWaalsContact O-CG 3.25Å; K215-R219 WeakPolarHBondContact O-CG 3.46Å; K215-R219 PolarHBondContact O-N 3.05Å
216Q80.5Confident79.2Confident33 Ų3362.8 Ų62.815%0.15433%0.333CS..Hα-helixtrans-81.3-42.2176.6-73.1168.697.500111.7E212 Y213 Q214 A218 R219 S221 D225 A226E212-Q216 WeakPolarHBondContact O-CG 3.3Å; E212-Q216 PolarHBondContact O-N 3.3Å; E212-Q216 PolarHBondContact O-NE2 3.14Å; Y213-Q216 PolarHBondContact O-N 3.44Å; Y213-Q216 VanDerWaalsContact O-N 3.13Å; Q214-Q216 PolarHBondContact O-N 3Å; Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 3.37Å; Q216-R219 PolarHBondContact O-N 2.92Å; Q216-R219 VanDerWaalsContact O-N 3.12Å; Q216-S221 WeakPolarHBondContact O-CB 3.39Å; Q216-S221 PolarHBondContact O-N 3.09Å; Q216-D225 PolarHBondContact OE1-O 2.92Å; Q216-A226 HydrophobicContact CB-CB 3.68Å; Q216-A226 PolarHBondContact NE2-O 2.89Å
217L80.1Confident78.7Confident64 Ų6463.6 Ų63.634%0.33534%0.337SS..Hα-helixtrans-56.4-46168.6-67.2-179.4000111.6Y213 Q214 R219 G220 A226Y213-L217 HydrophobicContact CD1-CD1 4.16Å; Y213-L217 HydrophobicContact CE1-CD1 3.45Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.45Å; Y213-L217 HydrophobicContact CE1-CG 4.17Å; Y213-L217 PolarHBondContact O-N 2.91Å; Y213-L217 VanDerWaalsContact O-N 3.11Å; Q214-L217 PolarHBondContact O-N 2.89Å; L217-R219 PolarHBondContact O-N 2.95Å; L217-R219 VanDerWaalsContact O-N 3.12Å; L217-G220 PolarHBondContact O-N 3.42Å; L217-A226 HydrophobicContact CD2-CB 3.94Å; L217-A226 HydrophobicContact CG-CB 4.08Å
218A79.8Confident78.3Confident92 Ų9266.4 Ų66.476%0.7635%0.349SS*.THydrogen-bonded Turntrans-67.6-9.2179.300000114.7Q214 Q216Q214-A218 VanDerWaalsContact O-CB 3.28Å; Q214-A218 WeakPolarHBondContact O-CB 3.21Å; Q214-A218 PolarHBondContact O-N 3.19Å; Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 3.37Å
219R81.7Confident77.9Confident191 Ų19159.4 Ų59.472%0.72133%0.33SS*.THydrogen-bonded Turntrans-91.3-2.7169.7-73.8168.3-172.5169.86.1113K215 Q216 L217 S221K215-R219 WeakPolarHBondContact O-CD 3.3Å; K215-R219 VanDerWaalsContact O-CG 3.25Å; K215-R219 WeakPolarHBondContact O-CG 3.46Å; K215-R219 PolarHBondContact O-N 3.05Å; Q216-R219 PolarHBondContact O-N 2.92Å; Q216-R219 VanDerWaalsContact O-N 3.12Å; L217-R219 PolarHBondContact O-N 2.95Å; L217-R219 VanDerWaalsContact O-N 3.12Å; R219-S221 VanDerWaalsContact C-N 3.32Å
220G74.3Confident77.6Confident70 Ų7059.4 Ų59.472%0.72233%0.329SS*.THydrogen-bonded Turntrans76.915.7-171.300000114L217L217-G220 PolarHBondContact O-N 3.42Å
221S69.8Low77Confident45 Ų4560.9 Ų60.932%0.31534%0.337SS..  trans-70.8146.6169.8-130.50000109.6Q216 R219 D225Q216-S221 WeakPolarHBondContact O-CB 3.39Å; Q216-S221 PolarHBondContact O-N 3.09Å; R219-S221 VanDerWaalsContact C-N 3.32Å; S221-D225 WeakPolarHBondContact OG-CB 3.4Å; S221-D225 PolarHBondContact OG-OD2 3.33Å
222G76Confident76.8Confident37 Ų3766 Ų6638%0.38135%0.354SS..  trans-63.8159179.800000112M224 D225 A226G222-M224 PolarHBondContact O-N 2.96Å; G222-M224 VanDerWaalsContact O-N 3.16Å; G222-D225 PolarHBondContact N-OD2 2.83Å; G222-D225 PolarHBondContact O-N 3.41Å; G222-A226 PolarHBondContact O-N 3.04Å
223K75Confident76.8Confident114 Ų11465.3 Ų65.350%0.49635%0.353SS..Hα-helixtrans-47.1-45.8173.9-68-175.8-175.1-178.60111.5D225 A226 Q227 E299K223-D225 PolarHBondContact O-N 3.43Å; K223-A226 PolarHBondContact O-N 3.49Å; K223-Q227 WeakPolarHBondContact O-CB 3.46Å; K223-Q227 VanDerWaalsContact O-CG 3.29Å; K223-Q227 WeakPolarHBondContact O-CG 3.46Å; K223-Q227 PolarHBondContact O-N 2.71Å; K223-E299 WeakPolarHBondContact CD-OE2 3.4Å; K223-E299 IonicContact NZ-OE1 2.64Å; K223-E299 PolarHBondContact NZ-OE1 2.91Å; K223-E299 IonicContact NZ-OE2 2.66Å
224M68.3Low76.9Confident62 Ų6265 Ų6531%0.30535%0.351SS..Hα-helixtrans-56.8-45.6177.2-68.4-68.8-17800113.1G222 K228 L296 E299G222-M224 PolarHBondContact O-N 2.96Å; G222-M224 VanDerWaalsContact O-N 3.16Å; M224-K228 WeakPolarHBondContact O-CB 3.49Å; M224-K228 PolarHBondContact O-N 3.27Å; M224-L296 HydrophobicContact CE-CD2 3.69Å; M224-L296 HydrophobicContact CE-CG 4.27Å; M224-L296 HydrophobicContact SD-CD2 3.56Å; M224-L296 VanDerWaalsContact SD-CD2 3.56Å; M224-L296 HydrophobicContact SD-CG 4.08Å; M224-E299 HydrophobicContact CE-CB 3.48Å; M224-E299 VanDerWaalsContact CE-CB 3.48Å; M224-E299 HydrophobicContact CE-CG 4.34Å
225D74.1Confident76.6Confident80 Ų8066.4 Ų66.443%0.42836%0.361SS..Hα-helixtrans-66.4-44.8178.3-58.2-42.4000110.7Q216 S221 G222 K223 Q227 K228 G229Q216-D225 PolarHBondContact OE1-O 2.92Å; S221-D225 WeakPolarHBondContact OG-CB 3.4Å; S221-D225 PolarHBondContact OG-OD2 3.33Å; G222-D225 PolarHBondContact N-OD2 2.83Å; G222-D225 PolarHBondContact O-N 3.41Å; K223-D225 PolarHBondContact O-N 3.43Å; D225-Q227 PolarHBondContact O-N 2.92Å; D225-K228 PolarHBondContact O-N 2.94Å; D225-G229 PolarHBondContact O-N 3.26Å
226A76.7Confident76.4Confident0 Ų066.3 Ų66.30%037%0.368CS..Hα-helixtrans-61.8-44.5179.500000111.1Y213 Q216 L217 G222 K223 M230Y213-A226 VanDerWaalsContact CD2-C 3.49Å; Y213-A226 HydrophobicContact CD2-CB 3.58Å; Y213-A226 HydrophobicContact CE2-CB 3.5Å; Y213-A226 VanDerWaalsContact CE2-CB 3.5Å; Y213-A226 HydrophobicContact CG-CB 4.5Å; Q216-A226 HydrophobicContact CB-CB 3.68Å; Q216-A226 PolarHBondContact NE2-O 2.89Å; L217-A226 HydrophobicContact CD2-CB 3.94Å; L217-A226 HydrophobicContact CG-CB 4.08Å; G222-A226 PolarHBondContact O-N 3.04Å; K223-A226 PolarHBondContact O-N 3.49Å; A226-M230 VanDerWaalsContact O-CB 3.29Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 PolarHBondContact O-N 3.1Å
227Q73.9Confident76.3Confident23 Ų2367 Ų6711%0.10737%0.373CS..Hα-helixtrans-59.6-46.7172-74.6171.9-3.300111.4Y213 K223 D225 M230 M231Y213-Q227 HydrophobicContact CE2-CG 3.97Å; K223-Q227 WeakPolarHBondContact O-CB 3.46Å; K223-Q227 VanDerWaalsContact O-CG 3.29Å; K223-Q227 WeakPolarHBondContact O-CG 3.46Å; K223-Q227 PolarHBondContact O-N 2.71Å; D225-Q227 PolarHBondContact O-N 2.92Å; Q227-M230 CarbonylContact O-C 3.58Å; Q227-M230 WeakPolarHBondContact O-CA 3.46Å; Q227-M230 WeakPolarHBondContact O-CB 3.44Å; Q227-M230 PolarHBondContact O-N 2.92Å; Q227-M231 WeakPolarHBondContact O-CG 3.35Å; Q227-M231 PolarHBondContact O-N 3.23Å
228K74.8Confident76.3Confident154 Ų15473.4 Ų73.467%0.6739%0.393SS*.Hα-helixtrans-63.7-42.6-179.6-175.5174.8-177.8175.20112.8M224 D225 M230 M231 H232M224-K228 WeakPolarHBondContact O-CB 3.49Å; M224-K228 PolarHBondContact O-N 3.27Å; D225-K228 PolarHBondContact O-N 2.94Å; K228-M230 VanDerWaalsContact C-N 3.32Å; K228-M231 PolarHBondContact O-N 3.12Å; K228-H232 WeakPolarHBondContact O-CB 3.16Å; K228-H232 PolarHBondContact O-N 2.9Å
229G76.2Confident76.2Confident22 Ų2274 Ų7423%0.22738%0.382CS..Hα-helixtrans-67.2-33.4173.900000112.8D225 L233D225-G229 PolarHBondContact O-N 3.26Å; G229-L233 WeakPolarHBondContact O-CB 3.22Å; G229-L233 PolarHBondContact O-N 2.71Å
230M78.1Confident75.9Confident0 Ų064.9 Ų64.90%035%0.348CS..Hα-helixtrans-64.7-46.6171149.816611700112.4I209 Y213 A226 Q227 K228 L233 W234 L273 F274I209-M230 HydrophobicContact CG2-CB 4.19Å; I209-M230 HydrophobicContact CG2-CG 3.53Å; I209-M230 HydrophobicContact CG2-SD 4.08Å; Y213-M230 HydrophobicContact CD2-CB 4.49Å; Y213-M230 HydrophobicContact CD2-SD 4.04Å; Y213-M230 HydrophobicContact CG-SD 4.09Å; A226-M230 VanDerWaalsContact O-CB 3.29Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 PolarHBondContact O-N 3.1Å; Q227-M230 CarbonylContact O-C 3.58Å; Q227-M230 WeakPolarHBondContact O-CA 3.46Å; Q227-M230 WeakPolarHBondContact O-CB 3.44Å; Q227-M230 PolarHBondContact O-N 2.92Å; K228-M230 VanDerWaalsContact C-N 3.32Å; M230-L233 PolarHBondContact O-N 2.77Å; M230-W234 PolarHBondContact O-N 2.9Å; M230-L273 HydrophobicContact CE-CD2 3.7Å; M230-F274 HydrophobicContact CE-CD2 4.11Å; M230-F274 HydrophobicContact CE-CE2 3.41Å; M230-F274 VanDerWaalsContact CE-CE2 3.41Å; M230-F274 HydrophobicContact CE-CZ 3.88Å; M230-F274 HydrophobicContact SD-CE2 3.41Å; M230-F274 WeakPolarHBondContact SD-CE2 3.46Å; M230-F274 HydrophobicContact SD-CZ 3.48Å; M230-F274 WeakPolarHBondContact SD-CZ 3.47Å
231M70.6Confident76.1Confident39 Ų3967.2 Ų67.219%0.19234%0.338CS..Hα-helixtrans-61.9-43.2173.7-71.7177.6177.800111.8Q227 K228 L233 W234 N235 L273 Q292Q227-M231 WeakPolarHBondContact O-CG 3.35Å; Q227-M231 PolarHBondContact O-N 3.23Å; K228-M231 PolarHBondContact O-N 3.12Å; M231-L233 VanDerWaalsContact C-N 3.32Å; M231-L233 PolarHBondContact O-N 2.85Å; M231-W234 PolarHBondContact O-N 3.07Å; M231-N235 PolarHBondContact O-N 2.94Å; M231-L273 HydrophobicContact CE-CD1 4.26Å; M231-L273 HydrophobicContact CE-CD2 3.63Å; M231-Q292 HydrophobicContact CE-CG 3.96Å
232H79.1Confident76.7Confident129 Ų12972 Ų7260%0.59735%0.354SS*.Hα-helixtrans-58.6-45.5175.3-174.6-81.1000110.9K228 W234 N235 T236K228-H232 WeakPolarHBondContact O-CB 3.16Å; K228-H232 PolarHBondContact O-N 2.9Å; H232-W234 PolarHBondContact O-N 2.76Å; H232-N235 PolarHBondContact O-N 2.87Å; H232-T236 PolarHBondContact CE1-OG1 2.79Å; H232-T236 PolarHBondContact ND1-OG1 3.32Å; H232-T236 WeakPolarHBondContact O-CB 3.46Å; H232-T236 PolarHBondContact O-N 3.45Å; H232-T236 PolarHBondContact O-OG1 3.36Å
233L80.8Confident76.8Confident49 Ų4971 Ų7126%0.25734%0.339SS..Hα-helixtrans-63.3-37177.1-174.961.8000112.8I209 E212 G229 M230 M231 N237I209-L233 HydrophobicContact CG1-CD2 4Å; I209-L233 HydrophobicContact CG1-CG 4.14Å; E212-L233 HydrophobicContact CB-CD2 3.81Å; E212-L233 HydrophobicContact CG-CD2 3.6Å; G229-L233 WeakPolarHBondContact O-CB 3.22Å; G229-L233 PolarHBondContact O-N 2.71Å; M230-L233 PolarHBondContact O-N 2.77Å; M231-L233 VanDerWaalsContact C-N 3.32Å; M231-L233 PolarHBondContact O-N 2.85Å; L233-N237 WeakPolarHBondContact CD1-ND2 3.23Å; L233-N237 WeakPolarHBondContact O-CB 3.23Å; L233-N237 PolarHBondContact O-N 2.66Å; L233-N237 PolarHBondContact O-ND2 2.93Å
234W79.4Confident76.6Confident8 Ų868.2 Ų68.23%0.0333%0.329CS..Hα-helixtrans-61.5-53.9170.3-177.7-82.2000111Y202 L205 L206 I209 M230 M231 H232 T236 N237 A240 M244 M286 F287Y202-W234 HydrophobicContact CD2-CH2 4.49Å; Y202-W234 HydrophobicContact CE2-CH2 4.01Å; L205-W234 HydrophobicContact CD2-CE3 4.19Å; L205-W234 HydrophobicContact CD2-CH2 3.94Å; L205-W234 HydrophobicContact CD2-CZ3 3.63Å; L205-W234 HydrophobicContact CG-CZ3 4.26Å; L206-W234 HydrophobicContact CD1-CZ3 4.29Å; I209-W234 HydrophobicContact CD1-CB 4.11Å; I209-W234 HydrophobicContact CD1-CD2 4.3Å; I209-W234 HydrophobicContact CD1-CE3 3.49Å; I209-W234 VanDerWaalsContact CD1-CE3 3.49Å; I209-W234 HydrophobicContact CD1-CZ3 4.26Å; M230-W234 PolarHBondContact O-N 2.9Å; M231-W234 PolarHBondContact O-N 3.07Å; H232-W234 PolarHBondContact O-N 2.76Å; W234-T236 PolarHBondContact O-N 3.38Å; W234-N237 PolarHBondContact O-N 2.94Å; W234-N237 VanDerWaalsContact O-N 3.11Å; W234-A240 HydrophobicContact CD2-CB 3.71Å; W234-A240 HydrophobicContact CE3-CB 4.14Å; W234-A240 HydrophobicContact CG-CB 4.15Å; W234-A240 HydrophobicContact CH2-CB 4.19Å; W234-A240 HydrophobicContact CZ2-CB 3.81Å; W234-A240 HydrophobicContact CZ3-CB 4.35Å; W234-M244 HydrophobicContact CZ2-CB 4.29Å; W234-M244 HydrophobicContact CZ2-SD 4.2Å; W234-M286 HydrophobicContact CD2-CE 4.48Å; W234-M286 HydrophobicContact CE3-CE 4.15Å; W234-F287 AromaticContact CD1-CE1 3.6Å; W234-F287 AromaticContact CD2-CE1 3.44Å; W234-F287 HydrophobicContact CD2-CE1 3.44Å; W234-F287 VanDerWaalsContact CD2-CE1 3.44Å; W234-F287 AromaticContact CD2-CZ 3.59Å; W234-F287 HydrophobicContact CD2-CZ 3.59Å; W234-F287 AromaticContact CE2-CE1 3.2Å; W234-F287 AromaticContact CE2-CZ 3.44Å; W234-F287 VanDerWaalsContact CE2-CZ 3.44Å; W234-F287 HydrophobicContact CE3-CE1 4.04Å; W234-F287 AromaticContact CE3-CZ 3.69Å; W234-F287 HydrophobicContact CE3-CZ 3.69Å; W234-F287 AromaticContact CG-CE1 3.74Å; W234-F287 HydrophobicContact CG-CE1 3.74Å; W234-F287 HydrophobicContact CG-CZ 4.32Å; W234-F287 HydrophobicContact CH2-CE1 4.3Å; W234-F287 AromaticContact CH2-CZ 3.67Å; W234-F287 HydrophobicContact CH2-CZ 3.67Å; W234-F287 AromaticContact CZ2-CE1 3.69Å; W234-F287 HydrophobicContact CZ2-CE1 3.69Å; W234-F287 HydrophobicContact CZ2-CE2 4.49Å; W234-F287 AromaticContact CZ2-CZ 3.5Å; W234-F287 HydrophobicContact CZ2-CZ 3.5Å; W234-F287 HydrophobicContact CZ3-CE1 4.44Å; W234-F287 AromaticContact CZ3-CZ 3.75Å; W234-F287 HydrophobicContact CZ3-CZ 3.75Å; W234-F287 AromaticContact NE1-CE1 3.28Å; W234-F287 VanDerWaalsContact NE1-CE1 3.28Å
235N75.7Confident77.3Confident93 Ų9370 Ų7050%0.49735%0.345SS..Hα-helixtrans-70.2-27-171.7-84.2-31.3000114.4M231 H232 K241M231-N235 PolarHBondContact O-N 2.94Å; H232-N235 PolarHBondContact O-N 2.87Å; N235-K241 WeakPolarHBondContact O-CE 3.45Å; N235-K241 PolarHBondContact O-NZ 2.93Å
236T78.7Confident77.6Confident88 Ų8871.5 Ų71.554%0.5435%0.353SS..Hα-helixtrans-76.2-30.7170.5-55.90000112.4H232 W234 R238H232-T236 PolarHBondContact CE1-OG1 2.79Å; H232-T236 PolarHBondContact ND1-OG1 3.32Å; H232-T236 WeakPolarHBondContact O-CB 3.46Å; H232-T236 PolarHBondContact O-N 3.45Å; H232-T236 PolarHBondContact O-OG1 3.36Å; W234-T236 PolarHBondContact O-N 3.38Å; T236-R238 PolarHBondContact O-N 2.89Å
237N79.8Confident77.7Confident48 Ų4872 Ų7226%0.25736%0.356SS..  trans-71.8102.7-179.1-91.8-59.8000111.8L233 W234 L239 A240 K241L233-N237 WeakPolarHBondContact CD1-ND2 3.23Å; L233-N237 WeakPolarHBondContact O-CB 3.23Å; L233-N237 PolarHBondContact O-N 2.66Å; L233-N237 PolarHBondContact O-ND2 2.93Å; W234-N237 PolarHBondContact O-N 2.94Å; W234-N237 VanDerWaalsContact O-N 3.11Å; N237-L239 PolarHBondContact O-N 3.49Å; N237-L239 VanDerWaalsContact O-N 3.14Å; N237-A240 HydrophobicContact CB-CB 3.93Å; N237-A240 VanDerWaalsContact O-CB 3.27Å; N237-A240 WeakPolarHBondContact O-CB 3.39Å; N237-A240 PolarHBondContact O-N 3.44Å; N237-K241 PolarHBondContact O-N 3.46Å
238R80Confident78Confident197 Ų19774.4 Ų74.474%0.74338%0.375SS*.Hα-helixtrans-50.9-37.9170.4-66.3-173.7-177.7-173.10.7112.3T236 A240 K241 F242T236-R238 PolarHBondContact O-N 2.89Å; R238-A240 VanDerWaalsContact C-N 3.29Å; R238-A240 PolarHBondContact O-N 2.86Å; R238-K241 PolarHBondContact O-N 2.75Å; R238-F242 HydrophobicContact CB-CD2 4.45Å; R238-F242 HydrophobicContact CB-CE2 4.48Å; R238-F242 WeakPolarHBondContact O-CD2 3.25Å; R238-F242 PolarHBondContact O-N 3.15Å
239L77.1Confident78Confident104 Ų10471.3 Ų71.355%0.54536%0.361SS..Hα-helixtrans-58.8-38.2176.1-66.8178.3000112.8N237 F242 L243N237-L239 PolarHBondContact O-N 3.49Å; N237-L239 VanDerWaalsContact O-N 3.14Å; L239-F242 PolarHBondContact O-N 3.49Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CD1 3.48Å; L239-L243 WeakPolarHBondContact O-CG 3.34Å; L239-L243 PolarHBondContact O-N 2.91Å
240A76.1Confident77.9Confident0 Ų073.5 Ų73.50%037%0.373CS..Hα-helixtrans-63.5-47.8178.800000110.9L205 W234 N237 R238 F242 L243 M244L205-A240 HydrophobicContact CD1-CB 4.44Å; L205-A240 HydrophobicContact CD2-CB 3.6Å; W234-A240 HydrophobicContact CD2-CB 3.71Å; W234-A240 HydrophobicContact CE3-CB 4.14Å; W234-A240 HydrophobicContact CG-CB 4.15Å; W234-A240 HydrophobicContact CH2-CB 4.19Å; W234-A240 HydrophobicContact CZ2-CB 3.81Å; W234-A240 HydrophobicContact CZ3-CB 4.35Å; N237-A240 HydrophobicContact CB-CB 3.93Å; N237-A240 VanDerWaalsContact O-CB 3.27Å; N237-A240 WeakPolarHBondContact O-CB 3.39Å; N237-A240 PolarHBondContact O-N 3.44Å; R238-A240 VanDerWaalsContact C-N 3.29Å; R238-A240 PolarHBondContact O-N 2.86Å; A240-F242 VanDerWaalsContact C-N 3.32Å; A240-F242 PolarHBondContact O-N 3.35Å; A240-L243 PolarHBondContact O-N 2.91Å; A240-M244 VanDerWaalsContact O-CB 3.3Å; A240-M244 WeakPolarHBondContact O-CB 3.33Å; A240-M244 PolarHBondContact O-N 3.01Å
241K78.8Confident78Confident119 Ų11976 Ų7652%0.51738%0.384SS..Hα-helixtrans-62.9-33176.1-71.7172.3169.2167.90113.3N235 N237 R238 P245N235-K241 WeakPolarHBondContact O-CE 3.45Å; N235-K241 PolarHBondContact O-NZ 2.93Å; N237-K241 PolarHBondContact O-N 3.46Å; R238-K241 PolarHBondContact O-N 2.75Å; K241-P245 WeakPolarHBondContact O-CD 3.32Å
242F81.8Confident78.4Confident146 Ų14674.9 Ų74.964%0.6438%0.378SS*.Hα-helixtrans-78.8-33.1174.2-80-64.3000114.2R238 L239 A240 L246R238-F242 HydrophobicContact CB-CD2 4.45Å; R238-F242 HydrophobicContact CB-CE2 4.48Å; R238-F242 WeakPolarHBondContact O-CD2 3.25Å; R238-F242 PolarHBondContact O-N 3.15Å; L239-F242 PolarHBondContact O-N 3.49Å; A240-F242 VanDerWaalsContact C-N 3.32Å; A240-F242 PolarHBondContact O-N 3.35Å; F242-L246 VanDerWaalsContact O-CD1 3.3Å; F242-L246 WeakPolarHBondContact O-CD1 3.42Å; F242-L246 WeakPolarHBondContact O-CG 3.41Å
243L78.3Confident78.4Confident15 Ų1572.2 Ų72.28%0.07937%0.366CS..Hα-helixtrans-78.1-34.9179.4-69.8164.1000112.3I198 L201 L205 L239 A240 L246I198-L243 HydrophobicContact CB-CD2 4.32Å; I198-L243 HydrophobicContact CG1-CD2 4.3Å; I198-L243 HydrophobicContact CG2-CD2 3.87Å; L201-L243 HydrophobicContact CB-CD1 3.97Å; L201-L243 HydrophobicContact CB-CD2 4.01Å; L201-L243 HydrophobicContact CD1-CD2 4.42Å; L205-L243 HydrophobicContact CD2-CD1 4.28Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CD1 3.48Å; L239-L243 WeakPolarHBondContact O-CG 3.34Å; L239-L243 PolarHBondContact O-N 2.91Å; A240-L243 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 3.45Å
244M70.7Confident78.4Confident56 Ų5673 Ų7328%0.27637%0.372SS..G310 helixtrans-52-45.1-176.6179.7167.5168.200115.8W234 A240 K252 M283W234-M244 HydrophobicContact CZ2-CB 4.29Å; W234-M244 HydrophobicContact CZ2-SD 4.2Å; A240-M244 VanDerWaalsContact O-CB 3.3Å; A240-M244 WeakPolarHBondContact O-CB 3.33Å; A240-M244 PolarHBondContact O-N 3.01Å; M244-K252 WeakPolarHBondContact O-CE 3.45Å; M244-K252 PolarHBondContact O-NZ 3.3Å; M244-M283 HydrophobicContact CE-CE 3.71Å; M244-M283 HydrophobicContact CE-CG 4.32Å; M244-M283 HydrophobicContact CE-SD 4.02Å; M244-M283 HydrophobicContact CG-CE 3.86Å; M244-M283 HydrophobicContact CG-SD 4.11Å; M244-M283 HydrophobicContact SD-CE 3.86Å
245P81.5Confident78.5Confident100 Ų10073.4 Ų73.465%0.64938%0.375SS*.G310 helixtrans-80.4-12.2176.531.7-36.6000114.1K241K241-P245 WeakPolarHBondContact O-CD 3.32Å
246L80.6Confident78.7Confident112 Ų11269.2 Ų69.259%0.58635%0.352SS*.G310 helixtrans-91.93.3-174.6-62.8178000114.1I198 F242 L243I198-L246 HydrophobicContact CD1-CB 4.16Å; I198-L246 HydrophobicContact CD1-CD1 4.1Å; I198-L246 HydrophobicContact CG2-CB 4.25Å; F242-L246 VanDerWaalsContact O-CD1 3.3Å; F242-L246 WeakPolarHBondContact O-CD1 3.42Å; F242-L246 WeakPolarHBondContact O-CG 3.41Å; L243-L246 PolarHBondContact O-N 3.45Å
247I80.6Confident78.9Confident11 Ų1170.9 Ų70.96%0.05635%0.354CS..SBendtrans-124.3126.9-178.7-52.8175000109I198 Y202 K251 K252I198-I247 HydrophobicContact CG2-CD1 3.73Å; I198-I247 HydrophobicContact CG2-CG1 3.4Å; I198-I247 VanDerWaalsContact CG2-CG1 3.4Å; Y202-I247 VanDerWaalsContact CB-CD1 3.5Å; Y202-I247 HydrophobicContact CD1-CD1 4.23Å; Y202-I247 HydrophobicContact CD2-CD1 3.69Å; Y202-I247 HydrophobicContact CE2-CD1 4.44Å; Y202-I247 HydrophobicContact CG-CD1 3.56Å; I247-K251 HydrophobicContact CG2-CB 3.67Å; I247-K252 HydrophobicContact CB-CG 4Å; I247-K252 HydrophobicContact CG2-CG 3.68Å; I247-K252 WeakPolarHBondContact O-CE 3.42Å; I247-K252 PolarHBondContact O-NZ 3.48Å
248S79.5Confident79.1Confident73 Ų7374.6 Ų74.651%0.5137%0.368SS..  trans-60.6148.3173.5-174.40000111.7S250 K251 K252S248-S250 PolarHBondContact O-N 3.31Å; S248-K251 WeakPolarHBondContact O-CA 3.44Å; S248-K251 WeakPolarHBondContact O-CB 3.44Å; S248-K251 PolarHBondContact O-N 3.33Å; S248-K252 PolarHBondContact O-N 3.42Å
249K73.9Confident79.2Confident89 Ų8965.4 Ų65.439%0.38733%0.333SS..Hα-helixtrans-46.3-60.3179.5-66.8-169.1172.9-172.40112.4K251 K252 E253 P279 D280 S281K249-K251 PolarHBondContact O-N 3.46Å; K249-K252 WeakPolarHBondContact O-CA 3.33Å; K249-K252 VanDerWaalsContact O-CB 3.3Å; K249-K252 WeakPolarHBondContact O-CB 3.29Å; K249-K252 PolarHBondContact O-N 3.17Å; K249-E253 WeakPolarHBondContact CB-OE1 3.33Å; K249-E253 PolarHBondContact O-N 3.35Å; K249-E253 VanDerWaalsContact O-OE1 3.12Å; K249-P279 PolarHBondContact NZ-O 3.18Å; K249-P279 VanDerWaalsContact NZ-O 3.12Å; K249-D280 WeakPolarHBondContact CE-O 3.48Å; K249-D280 PolarHBondContact NZ-O 3.38Å; K249-S281 WeakPolarHBondContact CE-O 3.41Å
250S75.2Confident79.4Confident67 Ų6761.3 Ų61.347%0.46931%0.313SS..Hα-helixtrans-58.1-26.7179.157.60000114.5S248 E253 V254S248-S250 PolarHBondContact O-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE2 3.25Å; S250-E253 PolarHBondContact N-OE1 2.99Å; S250-V254 WeakPolarHBondContact O-CB 3.41Å; S250-V254 VanDerWaalsContact O-CG2 3.24Å; S250-V254 WeakPolarHBondContact O-CG2 3.1Å; S250-V254 PolarHBondContact O-N 3.33Å; S250-V254 VanDerWaalsContact O-N 3.1Å
251K80.2Confident79.7Confident52 Ų5264.2 Ų64.223%0.22633%0.328CS..Hα-helixtrans-77.3-35.3172.4-73.6-166.1167-161.80112.7E195 E199 I247 S248 K249 I255E195-K251 IonicContact OE1-NZ 2.66Å; E195-K251 PolarHBondContact OE1-NZ 3.11Å; E195-K251 IonicContact OE2-NZ 3.72Å; E199-K251 WeakPolarHBondContact OE1-CD 3.42Å; E199-K251 WeakPolarHBondContact OE1-CE 3.47Å; E199-K251 IonicContact OE1-NZ 2.74Å; E199-K251 PolarHBondContact OE1-NZ 2.85Å; I247-K251 HydrophobicContact CG2-CB 3.67Å; S248-K251 WeakPolarHBondContact O-CA 3.44Å; S248-K251 WeakPolarHBondContact O-CB 3.44Å; S248-K251 PolarHBondContact O-N 3.33Å; K249-K251 PolarHBondContact O-N 3.46Å; K251-I255 WeakPolarHBondContact O-CD1 3.44Å; K251-I255 WeakPolarHBondContact O-CG1 3.29Å; K251-I255 PolarHBondContact O-N 3.41Å
252K79.3Confident79.7Confident17 Ų1760 Ų607%0.07432%0.315CS..Hα-helixtrans-62.6-49.6172.2-65.7166.9175.7157.70110.2M244 I247 S248 K249 V254 I255 L256 G282 M283M244-K252 WeakPolarHBondContact O-CE 3.45Å; M244-K252 PolarHBondContact O-NZ 3.3Å; I247-K252 HydrophobicContact CB-CG 4Å; I247-K252 HydrophobicContact CG2-CG 3.68Å; I247-K252 WeakPolarHBondContact O-CE 3.42Å; I247-K252 PolarHBondContact O-NZ 3.48Å; S248-K252 PolarHBondContact O-N 3.42Å; K249-K252 WeakPolarHBondContact O-CA 3.33Å; K249-K252 VanDerWaalsContact O-CB 3.3Å; K249-K252 WeakPolarHBondContact O-CB 3.29Å; K249-K252 PolarHBondContact O-N 3.17Å; K252-V254 PolarHBondContact O-N 2.95Å; K252-I255 PolarHBondContact O-N 3.19Å; K252-L256 WeakPolarHBondContact O-CB 3.12Å; K252-L256 PolarHBondContact O-N 3.34Å; K252-G282 VanDerWaalsContact CD-O 3.29Å; K252-G282 WeakPolarHBondContact CD-O 3.34Å; K252-M283 HydrophobicContact CD-SD 3.51Å; K252-M283 VanDerWaalsContact CD-SD 3.51Å; K252-M283 VanDerWaalsContact CE-SD 3.5Å; K252-M283 PolarHBondContact NZ-SD 2.95Å
253E77.4Confident79.6Confident73 Ų7353.5 Ų53.534%0.34129%0.288SS..Hα-helixtrans-53.3-53.4175.4-70.8144.3-13300111.4K249 S250 I255 L256 Q257 V277K249-E253 WeakPolarHBondContact CB-OE1 3.33Å; K249-E253 PolarHBondContact O-N 3.35Å; K249-E253 VanDerWaalsContact O-OE1 3.12Å; S250-E253 WeakPolarHBondContact CA-OE2 3.25Å; S250-E253 PolarHBondContact N-OE1 2.99Å; E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.17Å; E253-L256 PolarHBondContact O-N 3.09Å; E253-Q257 WeakPolarHBondContact O-CB 3.47Å; E253-Q257 PolarHBondContact O-N 2.97Å; E253-V277 HydrophobicContact CG-CG1 3.89Å; E253-V277 HydrophobicContact CG-CG2 4.35Å
254V82.2Confident79.6Confident64 Ų6456.4 Ų56.439%0.38830%0.301SS..Hα-helixtrans-65.2-29.1-179.1165.10000113.3S250 K252 K258S250-V254 WeakPolarHBondContact O-CB 3.41Å; S250-V254 VanDerWaalsContact O-CG2 3.24Å; S250-V254 WeakPolarHBondContact O-CG2 3.1Å; S250-V254 PolarHBondContact O-N 3.33Å; S250-V254 VanDerWaalsContact O-N 3.1Å; K252-V254 PolarHBondContact O-N 2.95Å; V254-K258 HydrophobicContact CG1-CD 4.36Å; V254-K258 VanDerWaalsContact O-CD 3.22Å; V254-K258 WeakPolarHBondContact O-CD 3.11Å; V254-K258 WeakPolarHBondContact O-CG 3.06Å; V254-K258 PolarHBondContact O-N 2.79Å
255I82Confident79.9Confident17 Ų1756.9 Ų56.99%0.08731%0.314CS..Hα-helixtrans-80.5-37.1174.3-62.1162.1000111.1E199 Y202 Y203 K251 K252 E253 K258 F259E199-I255 HydrophobicContact CB-CD1 3.92Å; E199-I255 HydrophobicContact CG-CD1 3.99Å; Y202-I255 HydrophobicContact CD1-CB 4.13Å; Y202-I255 HydrophobicContact CD1-CD1 4.16Å; Y202-I255 HydrophobicContact CD1-CG2 3.74Å; Y202-I255 HydrophobicContact CE1-CB 4.19Å; Y202-I255 HydrophobicContact CE1-CG2 4.1Å; Y203-I255 HydrophobicContact CD2-CG2 3.98Å; K251-I255 WeakPolarHBondContact O-CD1 3.44Å; K251-I255 WeakPolarHBondContact O-CG1 3.29Å; K251-I255 PolarHBondContact O-N 3.41Å; K252-I255 PolarHBondContact O-N 3.19Å; E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.17Å; I255-K258 PolarHBondContact O-N 3.24Å; I255-F259 WeakPolarHBondContact O-CB 3.41Å; I255-F259 PolarHBondContact O-N 3.4Å
256L79.7Confident79.5Confident5 Ų557.2 Ų57.23%0.02631%0.307CS..Hα-helixtrans-65.1-45.7176.1179.665.1000111.2L206 K252 E253 K258 F259 T260 F274 V277 P284L206-L256 HydrophobicContact CD2-CD1 4Å; K252-L256 WeakPolarHBondContact O-CB 3.12Å; K252-L256 PolarHBondContact O-N 3.34Å; E253-L256 PolarHBondContact O-N 3.09Å; L256-K258 PolarHBondContact O-N 2.87Å; L256-F259 CarbonylContact O-C 3.57Å; L256-F259 WeakPolarHBondContact O-CA 3.29Å; L256-F259 WeakPolarHBondContact O-CB 3.17Å; L256-F259 PolarHBondContact O-N 2.98Å; L256-F259 VanDerWaalsContact O-N 3.09Å; L256-T260 PolarHBondContact O-N 2.98Å; L256-T260 PolarHBondContact O-OG1 3.05Å; L256-F274 HydrophobicContact CD1-CB 4.18Å; L256-F274 HydrophobicContact CD1-CD1 3.96Å; L256-F274 WeakPolarHBondContact CD1-O 3.22Å; L256-F274 WeakPolarHBondContact CD2-O 3.19Å; L256-F274 WeakPolarHBondContact CG-O 3.5Å; L256-V277 HydrophobicContact CD2-CG2 3.55Å; L256-P284 HydrophobicContact CD1-CG 4.39Å; L256-P284 HydrophobicContact CD2-CB 3.89Å; L256-P284 HydrophobicContact CD2-CG 3.81Å
257Q82.5Confident78.8Confident123 Ų12355.4 Ų55.458%0.57532%0.315SS*.Hα-helixtrans-59.4-47.4174-171.6-177.826.800111.1E253 F259 T260 D261E253-Q257 WeakPolarHBondContact O-CB 3.47Å; E253-Q257 PolarHBondContact O-N 2.97Å; Q257-F259 PolarHBondContact O-N 3.02Å; Q257-T260 PolarHBondContact O-N 3.42Å; Q257-T260 VanDerWaalsContact O-N 3.15Å; Q257-D261 WeakPolarHBondContact O-CB 3.3Å; Q257-D261 PolarHBondContact O-N 3.28Å
258K82.7Confident78Confident126 Ų12656.8 Ų56.855%0.54832%0.321SS..Hα-helixtrans-60.8-31.6174.5-74167.6-169.5162.80113V254 I255 L256 A262V254-K258 HydrophobicContact CG1-CD 4.36Å; V254-K258 VanDerWaalsContact O-CD 3.22Å; V254-K258 WeakPolarHBondContact O-CD 3.11Å; V254-K258 WeakPolarHBondContact O-CG 3.06Å; V254-K258 PolarHBondContact O-N 2.79Å; I255-K258 PolarHBondContact O-N 3.24Å; L256-K258 PolarHBondContact O-N 2.87Å; K258-A262 WeakPolarHBondContact O-CB 3.33Å; K258-A262 PolarHBondContact O-N 3.47Å; K258-A262 VanDerWaalsContact O-N 3.12Å
259F83.3Confident77.4Confident4 Ų459.3 Ų59.32%0.01833%0.334CS..Hα-helixtrans-71.5-45.3174.2-175.6-97.4000111Y203 L206 K207 F210 I255 L256 Q257 A262 V263Y203-F259 HydrophobicContact CD2-CB 4.44Å; Y203-F259 HydrophobicContact CD2-CD2 4.24Å; Y203-F259 HydrophobicContact CE2-CB 4.11Å; Y203-F259 AromaticContact CE2-CD2 3.8Å; Y203-F259 HydrophobicContact CE2-CD2 3.8Å; Y203-F259 HydrophobicContact CE2-CG 4.48Å; L206-F259 HydrophobicContact CB-CD1 4.48Å; L206-F259 HydrophobicContact CB-CD2 4.12Å; L206-F259 HydrophobicContact CB-CE2 4.2Å; L206-F259 HydrophobicContact CB-CG 4.28Å; L206-F259 HydrophobicContact CB-CZ 4.41Å; L206-F259 HydrophobicContact CD2-CB 4.17Å; L206-F259 HydrophobicContact CD2-CD1 4.24Å; L206-F259 HydrophobicContact CD2-CG 4.09Å; K207-F259 HydrophobicContact CB-CE2 3.99Å; K207-F259 HydrophobicContact CG-CE2 4.4Å; F210-F259 HydrophobicContact CB-CE1 3.97Å; F210-F259 HydrophobicContact CB-CZ 3.55Å; F210-F259 HydrophobicContact CD1-CZ 4.11Å; F210-F259 HydrophobicContact CD2-CE1 4.31Å; F210-F259 HydrophobicContact CG-CE1 4.02Å; F210-F259 AromaticContact CG-CZ 3.83Å; F210-F259 HydrophobicContact CG-CZ 3.83Å; I255-F259 WeakPolarHBondContact O-CB 3.41Å; I255-F259 PolarHBondContact O-N 3.4Å; L256-F259 CarbonylContact O-C 3.57Å; L256-F259 WeakPolarHBondContact O-CA 3.29Å; L256-F259 WeakPolarHBondContact O-CB 3.17Å; L256-F259 PolarHBondContact O-N 2.98Å; L256-F259 VanDerWaalsContact O-N 3.09Å; Q257-F259 PolarHBondContact O-N 3.02Å; F259-A262 PolarHBondContact O-N 2.98Å; F259-V263 HydrophobicContact CD1-CG2 4.31Å; F259-V263 HydrophobicContact CE1-CG2 3.85Å; F259-V263 HydrophobicContact CE2-CG2 4.31Å; F259-V263 HydrophobicContact CZ-CG2 3.83Å; F259-V263 WeakPolarHBondContact O-CG2 3.28Å; F259-V263 PolarHBondContact O-N 3.25Å
260T80.2Confident77Confident18 Ų1855.2 Ų55.211%0.1132%0.317CS..Hα-helixtrans-62.5-50.9176-62.70000111.8L256 Q257 A262 V263 E264 V270L256-T260 PolarHBondContact O-N 2.98Å; L256-T260 PolarHBondContact O-OG1 3.05Å; Q257-T260 PolarHBondContact O-N 3.42Å; Q257-T260 VanDerWaalsContact O-N 3.15Å; T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 PolarHBondContact O-N 3.48Å; T260-V263 PolarHBondContact O-N 3.2Å; T260-E264 HydrophobicContact CG2-CG 4.26Å; T260-E264 WeakPolarHBondContact O-CB 3.18Å; T260-E264 WeakPolarHBondContact O-CG 3.34Å; T260-E264 PolarHBondContact O-N 3.48Å; T260-V270 HydrophobicContact CG2-CG2 3.97Å
261D82.6Confident76.5Confident62 Ų6252.6 Ų52.633%0.33230%0.298SS..Hα-helixtrans-52.6-43.9172-99.1-56.6000111.8Q257 V263 A265 K644Q257-D261 WeakPolarHBondContact O-CB 3.3Å; Q257-D261 PolarHBondContact O-N 3.28Å; D261-V263 VanDerWaalsContact C-N 3.34Å; D261-V263 PolarHBondContact O-N 2.79Å; D261-A265 WeakPolarHBondContact O-CB 3.44Å; D261-A265 PolarHBondContact O-N 2.66Å; D261-K644 WeakPolarHBondContact OD1-CE 3.4Å; D261-K644 IonicContact OD1-NZ 2.87Å; D261-K644 PolarHBondContact OD1-NZ 2.92Å
262A80.3Confident75.5Confident30 Ų3054.9 Ų54.925%0.24831%0.312CS..Hα-helixtrans-68.2-31.8179.300000112.7K258 F259 T260 H266K258-A262 WeakPolarHBondContact O-CB 3.33Å; K258-A262 PolarHBondContact O-N 3.47Å; K258-A262 VanDerWaalsContact O-N 3.12Å; F259-A262 PolarHBondContact O-N 2.98Å; T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 PolarHBondContact O-N 3.48Å; A262-H266 PolarHBondContact O-ND1 2.8Å
263V78.7Confident74.4Confident10 Ų1054.3 Ų54.36%0.06131%0.31CS..Hα-helixtrans-81.1-39.9178.1172.30000111.5F210 F259 T260 D261 H266 M268 V270F210-V263 HydrophobicContact CD1-CG2 4.16Å; F210-V263 HydrophobicContact CE1-CB 4.45Å; F210-V263 HydrophobicContact CE1-CG1 3.55Å; F210-V263 HydrophobicContact CE1-CG2 3.92Å; F210-V263 HydrophobicContact CE2-CG1 4.3Å; F210-V263 HydrophobicContact CZ-CG1 3.43Å; F210-V263 VanDerWaalsContact CZ-CG1 3.43Å; F210-V263 HydrophobicContact CZ-CG2 4.4Å; F259-V263 HydrophobicContact CD1-CG2 4.31Å; F259-V263 HydrophobicContact CE1-CG2 3.85Å; F259-V263 HydrophobicContact CE2-CG2 4.31Å; F259-V263 HydrophobicContact CZ-CG2 3.83Å; F259-V263 WeakPolarHBondContact O-CG2 3.28Å; F259-V263 PolarHBondContact O-N 3.25Å; T260-V263 PolarHBondContact O-N 3.2Å; D261-V263 VanDerWaalsContact C-N 3.34Å; D261-V263 PolarHBondContact O-N 2.79Å; V263-H266 CarbonylContact O-C 3.59Å; V263-H266 WeakPolarHBondContact O-CA 3.38Å; V263-H266 WeakPolarHBondContact O-CB 3.3Å; V263-H266 PolarHBondContact O-N 2.82Å; V263-H266 VanDerWaalsContact O-N 3.11Å; V263-M268 HydrophobicContact CG1-CB 3.89Å; V263-M268 HydrophobicContact CG1-CE 4.24Å; V263-M268 WeakPolarHBondContact CG1-O 3.43Å; V263-M268 PolarHBondContact O-N 3.09Å; V263-V270 HydrophobicContact CB-CG2 3.77Å; V263-V270 HydrophobicContact CG1-CG2 3.59Å
264E79Confident73.4Confident75 Ų7551 Ų5135%0.3530%0.295SS..Hα-helixtrans-69.2-37.9177.2-69.1-175.1158.800112.2T260 H266 G267 V270 K275T260-E264 HydrophobicContact CG2-CG 4.26Å; T260-E264 WeakPolarHBondContact O-CB 3.18Å; T260-E264 WeakPolarHBondContact O-CG 3.34Å; T260-E264 PolarHBondContact O-N 3.48Å; E264-H266 PolarHBondContact O-N 3.21Å; E264-H266 VanDerWaalsContact O-N 3.1Å; E264-G267 PolarHBondContact O-N 2.84Å; E264-V270 HydrophobicContact CG-CG2 4.35Å; E264-K275 WeakPolarHBondContact OE1-CE 3.37Å; E264-K275 IonicContact OE1-NZ 2.67Å; E264-K275 PolarHBondContact OE1-NZ 2.92Å
265A77.3Confident72.2Confident66 Ų6652.3 Ų52.355%0.54530%0.295SS..THydrogen-bonded Turntrans-63.9-12.4171.200000113.7D261D261-A265 WeakPolarHBondContact O-CB 3.44Å; D261-A265 PolarHBondContact O-N 2.66Å
266H72.1Confident71Confident108 Ų10855.8 Ų55.850%0.531%0.311SS..THydrogen-bonded Turntrans-100.711.1171.6-77.194.8000112.9A262 V263 E264 M268 Y321A262-H266 PolarHBondContact O-ND1 2.8Å; V263-H266 CarbonylContact O-C 3.59Å; V263-H266 WeakPolarHBondContact O-CA 3.38Å; V263-H266 WeakPolarHBondContact O-CB 3.3Å; V263-H266 PolarHBondContact O-N 2.82Å; V263-H266 VanDerWaalsContact O-N 3.11Å; E264-H266 PolarHBondContact O-N 3.21Å; E264-H266 VanDerWaalsContact O-N 3.1Å; H266-M268 HydrophobicContact CB-CE 3.93Å; H266-Y321 HydrophobicContact CB-CE1 3.95Å; H266-Y321 WeakPolarHBondContact CB-OH 3.45Å; H266-Y321 AromaticContact CD2-CE1 3.46Å; H266-Y321 VanDerWaalsContact CD2-CE1 3.46Å; H266-Y321 WeakPolarHBondContact CD2-CE1 3.07Å; H266-Y321 AromaticContact CG-CE1 3.87Å; H266-Y321 PolarHBondContact O-OH 3.41Å
267G65.7Low70Confident74 Ų7458 Ų5876%0.76333%0.325SS*.THydrogen-bonded Turntrans76.923172.700000114.7E264E264-G267 PolarHBondContact O-N 2.84Å
268M65Low68.7Low39 Ų3953.9 Ų53.919%0.19231%0.307CS..  trans-120.4128.9-175.5-59.2-179.9-57.900109.8F210 Q214 V263 H266 V270 Y321F210-M268 HydrophobicContact CE1-CE 4.41Å; Q214-M268 PolarHBondContact NE2-SD 3.23Å; V263-M268 HydrophobicContact CG1-CB 3.89Å; V263-M268 HydrophobicContact CG1-CE 4.24Å; V263-M268 WeakPolarHBondContact CG1-O 3.43Å; V263-M268 PolarHBondContact O-N 3.09Å; H266-M268 HydrophobicContact CB-CE 3.93Å; M268-V270 PolarHBondContact O-N 3.08Å; M268-Y321 HydrophobicContact CE-CE1 3.86Å; M268-Y321 WeakPolarHBondContact CE-OH 3.23Å; M268-Y321 HydrophobicContact SD-CE1 4.49Å; M268-Y321 HydrophobicContact SD-CE2 4.12Å; M268-Y321 PolarHBondContact SD-OH 3.47Å
269T65.6Low67.4Low126 Ų12653 Ų5377%0.77331%0.313SS*.PPolyproline II helixtrans-76.7121.6176.843.60000110.5
270V66.5Low65.9Low4 Ų459.4 Ų59.42%0.02435%0.348CS..PPolyproline II helixtrans-74.4135.8170.2-162.30000108.5F210 T260 V263 E264 M268 F274F210-V270 HydrophobicContact CE2-CG1 4.22Å; T260-V270 HydrophobicContact CG2-CG2 3.97Å; V263-V270 HydrophobicContact CB-CG2 3.77Å; V263-V270 HydrophobicContact CG1-CG2 3.59Å; E264-V270 HydrophobicContact CG-CG2 4.35Å; M268-V270 PolarHBondContact O-N 3.08Å; V270-F274 HydrophobicContact CG1-CB 3.5Å; V270-F274 HydrophobicContact CG1-CD2 3.49Å; V270-F274 VanDerWaalsContact CG1-CD2 3.49Å; V270-F274 HydrophobicContact CG1-CE2 4.27Å; V270-F274 HydrophobicContact CG1-CG 3.7Å
271P63.6Low64.5Low11 Ų1160.7 Ų60.77%0.07136%0.358CS..PPolyproline II helixtrans-53143170.6-27.535.3000112.1Y213 L273 F274Y213-P271 HydrophobicContact CD1-CG 4.11Å; Y213-P271 HydrophobicContact CE1-CG 3.41Å; Y213-P271 VanDerWaalsContact CE1-CG 3.41Å; Y213-P271 HydrophobicContact CE2-CG 3.95Å; Y213-P271 WeakPolarHBondContact OH-CG 3.41Å; P271-L273 HydrophobicContact CB-CB 4.3Å; P271-L273 PolarHBondContact O-N 3Å; P271-F274 HydrophobicContact CB-CD2 4.24Å; P271-F274 HydrophobicContact CG-CD2 4.29Å; P271-F274 HydrophobicContact CG-CE2 4.4Å; P271-F274 PolarHBondContact O-N 2.95Å
272D59.8Low63.1Low100 Ų10057.8 Ų57.854%0.53534%0.342SS..G310 helixtrans-59.2-24.7-178.6-50.8-57.1000112.3F274 K275 E276D272-F274 PolarHBondContact O-N 3.33Å; D272-K275 WeakPolarHBondContact O-CA 3.35Å; D272-K275 WeakPolarHBondContact O-CB 3.4Å; D272-K275 PolarHBondContact O-N 3.47Å; D272-E276 PolarHBondContact O-N 3.05Å
273L55.8Low61.9Low5 Ų556.5 Ų56.53%0.02633%0.331CS..G310 helixtrans-55.4-12.4168.5-154.683.1000115.6M230 M231 P271 P284 M286 I295M230-L273 HydrophobicContact CE-CD2 3.7Å; M231-L273 HydrophobicContact CE-CD1 4.26Å; M231-L273 HydrophobicContact CE-CD2 3.63Å; P271-L273 HydrophobicContact CB-CB 4.3Å; P271-L273 PolarHBondContact O-N 3Å; L273-P284 WeakPolarHBondContact O-CB 3.47Å; L273-M286 HydrophobicContact CD1-CB 4.5Å; L273-M286 HydrophobicContact CD2-CB 3.53Å; L273-M286 HydrophobicContact CG-CB 3.68Å; L273-I295 HydrophobicContact CD1-CD1 3.73Å
274F57.8Low60.7Low3 Ų356.1 Ų56.11%0.01333%0.329CS..G310 helixtrans-110.5-8.9169.6-71.3-86.9000113.2F210 M230 L256 V270 P271 D272 M286F210-F274 HydrophobicContact CD2-CE2 4.07Å; F210-F274 HydrophobicContact CD2-CZ 4.32Å; M230-F274 HydrophobicContact CE-CD2 4.11Å; M230-F274 HydrophobicContact CE-CE2 3.41Å; M230-F274 VanDerWaalsContact CE-CE2 3.41Å; M230-F274 HydrophobicContact CE-CZ 3.88Å; M230-F274 HydrophobicContact SD-CE2 3.41Å; M230-F274 WeakPolarHBondContact SD-CE2 3.46Å; M230-F274 HydrophobicContact SD-CZ 3.48Å; M230-F274 WeakPolarHBondContact SD-CZ 3.47Å; L256-F274 HydrophobicContact CD1-CB 4.18Å; L256-F274 HydrophobicContact CD1-CD1 3.96Å; L256-F274 WeakPolarHBondContact CD1-O 3.22Å; L256-F274 WeakPolarHBondContact CD2-O 3.19Å; L256-F274 WeakPolarHBondContact CG-O 3.5Å; V270-F274 HydrophobicContact CG1-CB 3.5Å; V270-F274 HydrophobicContact CG1-CD2 3.49Å; V270-F274 VanDerWaalsContact CG1-CD2 3.49Å; V270-F274 HydrophobicContact CG1-CE2 4.27Å; V270-F274 HydrophobicContact CG1-CG 3.7Å; P271-F274 HydrophobicContact CB-CD2 4.24Å; P271-F274 HydrophobicContact CG-CD2 4.29Å; P271-F274 HydrophobicContact CG-CE2 4.4Å; P271-F274 PolarHBondContact O-N 2.95Å; D272-F274 PolarHBondContact O-N 3.33Å; F274-M286 HydrophobicContact CD1-SD 4.24Å; F274-M286 HydrophobicContact CE1-SD 4.17Å
275K56.5Low59.6Low92 Ų9253.5 Ų53.540%0.432%0.318SS..THydrogen-bonded Turntrans-94.8-41.1-177.5-63.5-170.3169-159.90111.3E264 D272 V277E264-K275 WeakPolarHBondContact OE1-CE 3.37Å; E264-K275 IonicContact OE1-NZ 2.67Å; E264-K275 PolarHBondContact OE1-NZ 2.92Å; D272-K275 WeakPolarHBondContact O-CA 3.35Å; D272-K275 WeakPolarHBondContact O-CB 3.4Å; D272-K275 PolarHBondContact O-N 3.47Å; K275-V277 PolarHBondContact O-N 3.45Å
276E56Low58.3Low91 Ų9151 Ų5143%0.42530%0.295SS..  trans-74.4112.2173.1-62.4169.516500109.2D272 P284 T285D272-E276 PolarHBondContact O-N 3.05Å; E276-P284 CarbonylContact O-C 3.59Å; E276-P284 WeakPolarHBondContact O-CA 3.35Å; E276-T285 HydrophobicContact CB-CG2 3.54Å; E276-T285 PolarHBondContact O-N 2.9Å; E276-T285 PolarHBondContact OE2-OG1 3.15Å
277V59.1Low57.3Low52 Ų5247.7 Ų47.732%0.31528%0.28SS..EExtended strand (participates in β ladder)trans-99.7125166.9-179.10000108.2E253 L256 K275E253-V277 HydrophobicContact CG-CG1 3.89Å; E253-V277 HydrophobicContact CG-CG2 4.35Å; L256-V277 HydrophobicContact CD2-CG2 3.55Å; K275-V277 PolarHBondContact O-N 3.45Å
278D54.7Low56.8Low36 Ų3646.4 Ų46.419%0.19326%0.255CS..EExtended strand (participates in β ladder)trans-69.2125.9173.6167.860.7000110.6D280 S281 G282 M283 I288D278-D280 VanDerWaalsContact C-N 3.34Å; D278-D280 PolarHBondContact O-N 3.15Å; D278-D280 PolarHBondContact OD2-N 3.28Å; D278-S281 PolarHBondContact O-N 2.8Å; D278-S281 WeakPolarHBondContact OD2-CA 3.48Å; D278-S281 WeakPolarHBondContact OD2-CB 3.3Å; D278-S281 PolarHBondContact OD2-N 2.88Å; D278-G282 WeakPolarHBondContact O-CA 3.25Å; D278-G282 PolarHBondContact O-N 3.49Å; D278-M283 PolarHBondContact N-O 3.11Å; D278-I288 HydrophobicContact CB-CD1 3.53Å; D278-I288 VanDerWaalsContact CG-CD1 3.43Å
279P56.8Low56.1Low106 Ų10652.6 Ų52.669%0.68828%0.283SS*.THydrogen-bonded Turntrans-62.5-37.8-177.123.8-34.4000113.2K249 S281K249-P279 PolarHBondContact NZ-O 3.18Å; K249-P279 VanDerWaalsContact NZ-O 3.12Å; P279-S281 VanDerWaalsContact C-N 3.35Å; P279-S281 PolarHBondContact O-N 3.36Å
280D50.3Low55.3Low139 Ų13954 Ų5474%0.74328%0.281SS*.THydrogen-bonded Turntrans-76.5-22.1-174.9-76.1-31.7000113.2K249 D278K249-D280 WeakPolarHBondContact CE-O 3.48Å; K249-D280 PolarHBondContact NZ-O 3.38Å; D278-D280 VanDerWaalsContact C-N 3.34Å; D278-D280 PolarHBondContact O-N 3.15Å; D278-D280 PolarHBondContact OD2-N 3.28Å
281S51.6Low54.5Low45 Ų4554.6 Ų54.632%0.31529%0.288SS..THydrogen-bonded Turntrans-107.1-28.9179.6-157.90000113.6K249 D278 P279 M283K249-S281 WeakPolarHBondContact CE-O 3.41Å; D278-S281 PolarHBondContact O-N 2.8Å; D278-S281 WeakPolarHBondContact OD2-CA 3.48Å; D278-S281 WeakPolarHBondContact OD2-CB 3.3Å; D278-S281 PolarHBondContact OD2-N 2.88Å; P279-S281 VanDerWaalsContact C-N 3.35Å; P279-S281 PolarHBondContact O-N 3.36Å; S281-M283 WeakPolarHBondContact OG-CG 3.29Å
282G53.5Low53.8Low1 Ų156.8 Ų56.81%0.0130%0.298CS..THydrogen-bonded Turntrans6333.8-168.900000111.6K252 D278K252-G282 VanDerWaalsContact CD-O 3.29Å; K252-G282 WeakPolarHBondContact CD-O 3.34Å; D278-G282 WeakPolarHBondContact O-CA 3.25Å; D278-G282 PolarHBondContact O-N 3.49Å
283M53.8Low53.4Low3 Ų354.5 Ų54.52%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-130136.7-173.2-64.2-62.7-47.400107.6M244 K252 D278 S281 F287M244-M283 HydrophobicContact CE-CE 3.71Å; M244-M283 HydrophobicContact CE-CG 4.32Å; M244-M283 HydrophobicContact CE-SD 4.02Å; M244-M283 HydrophobicContact CG-CE 3.86Å; M244-M283 HydrophobicContact CG-SD 4.11Å; M244-M283 HydrophobicContact SD-CE 3.86Å; K252-M283 HydrophobicContact CD-SD 3.51Å; K252-M283 VanDerWaalsContact CD-SD 3.51Å; K252-M283 VanDerWaalsContact CE-SD 3.5Å; K252-M283 PolarHBondContact NZ-SD 2.95Å; D278-M283 PolarHBondContact N-O 3.11Å; S281-M283 WeakPolarHBondContact OG-CG 3.29Å; M283-F287 HydrophobicContact CB-CB 4.14Å; M283-F287 HydrophobicContact CB-CD2 3.78Å; M283-F287 HydrophobicContact CB-CG 4.32Å; M283-F287 HydrophobicContact CE-CD1 4.35Å; M283-F287 HydrophobicContact CE-CD2 3.19Å; M283-F287 HydrophobicContact CE-CE1 4.48Å; M283-F287 HydrophobicContact CE-CE2 3.26Å; M283-F287 HydrophobicContact CE-CG 3.75Å; M283-F287 HydrophobicContact CE-CZ 3.96Å
284P55.3Low53.2Low2 Ų261 Ų611%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-61.8153.8174.118.7-27.5000112.8L256 L273 E276 M286 F287L256-P284 HydrophobicContact CD1-CG 4.39Å; L256-P284 HydrophobicContact CD2-CB 3.89Å; L256-P284 HydrophobicContact CD2-CG 3.81Å; L273-P284 WeakPolarHBondContact O-CB 3.47Å; E276-P284 CarbonylContact O-C 3.59Å; E276-P284 WeakPolarHBondContact O-CA 3.35Å; P284-M286 HydrophobicContact CB-CG 4.18Å; P284-M286 HydrophobicContact CB-SD 4.39Å; P284-M286 HydrophobicContact CG-CG 3.97Å; P284-M286 HydrophobicContact CG-SD 3.85Å; P284-M286 PolarHBondContact O-N 3.42Å; P284-F287 HydrophobicContact CG-CD2 3.93Å; P284-F287 HydrophobicContact CG-CE2 3.66Å; P284-F287 WeakPolarHBondContact O-CD2 3.28Å; P284-F287 PolarHBondContact O-N 2.98Å; P284-F287 VanDerWaalsContact O-N 3.09Å
285T55.2Low52.8Low20 Ų2062.6 Ų62.612%0.12333%0.331CS..G310 helixtrans-59.4-11.7-171500000115E276 F287E276-T285 HydrophobicContact CB-CG2 3.54Å; E276-T285 PolarHBondContact O-N 2.9Å; E276-T285 PolarHBondContact OE2-OG1 3.15Å; T285-F287 PolarHBondContact O-N 3.49Å
286M50.7Low52.6Low13 Ų1362.7 Ų62.76%0.06434%0.336CS..G310 helixtrans-54.3-8.9165.167.7-172.1-67.200115.8W234 L273 F274 P284W234-M286 HydrophobicContact CD2-CE 4.48Å; W234-M286 HydrophobicContact CE3-CE 4.15Å; L273-M286 HydrophobicContact CD1-CB 4.5Å; L273-M286 HydrophobicContact CD2-CB 3.53Å; L273-M286 HydrophobicContact CG-CB 3.68Å; F274-M286 HydrophobicContact CD1-SD 4.24Å; F274-M286 HydrophobicContact CE1-SD 4.17Å; P284-M286 HydrophobicContact CB-CG 4.18Å; P284-M286 HydrophobicContact CB-SD 4.39Å; P284-M286 HydrophobicContact CG-CG 3.97Å; P284-M286 HydrophobicContact CG-SD 3.85Å; P284-M286 PolarHBondContact O-N 3.42Å
287F50.8Low52.6Low40 Ų4064.5 Ų64.518%0.17534%0.344CS..G310 helixtrans-111.2-0.6-171.3-65.7-54.5000116.8W234 M283 P284 T285W234-F287 AromaticContact CD1-CE1 3.6Å; W234-F287 AromaticContact CD2-CE1 3.44Å; W234-F287 HydrophobicContact CD2-CE1 3.44Å; W234-F287 VanDerWaalsContact CD2-CE1 3.44Å; W234-F287 AromaticContact CD2-CZ 3.59Å; W234-F287 HydrophobicContact CD2-CZ 3.59Å; W234-F287 AromaticContact CE2-CE1 3.2Å; W234-F287 AromaticContact CE2-CZ 3.44Å; W234-F287 VanDerWaalsContact CE2-CZ 3.44Å; W234-F287 HydrophobicContact CE3-CE1 4.04Å; W234-F287 AromaticContact CE3-CZ 3.69Å; W234-F287 HydrophobicContact CE3-CZ 3.69Å; W234-F287 AromaticContact CG-CE1 3.74Å; W234-F287 HydrophobicContact CG-CE1 3.74Å; W234-F287 HydrophobicContact CG-CZ 4.32Å; W234-F287 HydrophobicContact CH2-CE1 4.3Å; W234-F287 AromaticContact CH2-CZ 3.67Å; W234-F287 HydrophobicContact CH2-CZ 3.67Å; W234-F287 AromaticContact CZ2-CE1 3.69Å; W234-F287 HydrophobicContact CZ2-CE1 3.69Å; W234-F287 HydrophobicContact CZ2-CE2 4.49Å; W234-F287 AromaticContact CZ2-CZ 3.5Å; W234-F287 HydrophobicContact CZ2-CZ 3.5Å; W234-F287 HydrophobicContact CZ3-CE1 4.44Å; W234-F287 AromaticContact CZ3-CZ 3.75Å; W234-F287 HydrophobicContact CZ3-CZ 3.75Å; W234-F287 AromaticContact NE1-CE1 3.28Å; W234-F287 VanDerWaalsContact NE1-CE1 3.28Å; M283-F287 HydrophobicContact CB-CB 4.14Å; M283-F287 HydrophobicContact CB-CD2 3.78Å; M283-F287 HydrophobicContact CB-CG 4.32Å; M283-F287 HydrophobicContact CE-CD1 4.35Å; M283-F287 HydrophobicContact CE-CD2 3.19Å; M283-F287 HydrophobicContact CE-CE1 4.48Å; M283-F287 HydrophobicContact CE-CE2 3.26Å; M283-F287 HydrophobicContact CE-CG 3.75Å; M283-F287 HydrophobicContact CE-CZ 3.96Å; P284-F287 HydrophobicContact CG-CD2 3.93Å; P284-F287 HydrophobicContact CG-CE2 3.66Å; P284-F287 WeakPolarHBondContact O-CD2 3.28Å; P284-F287 PolarHBondContact O-N 2.98Å; P284-F287 VanDerWaalsContact O-N 3.09Å; T285-F287 PolarHBondContact O-N 3.49Å
288I54.1Low52.2Low47 Ų4767.3 Ų67.324%0.24135%0.353CS..  trans-120.6122.9-173.7-55176.6000109.4D278 E290 G291 Q292D278-I288 HydrophobicContact CB-CD1 3.53Å; D278-I288 VanDerWaalsContact CG-CD1 3.43Å; I288-E290 HydrophobicContact CG2-CB 4.16Å; I288-E290 PolarHBondContact O-N 3.41Å; I288-G291 PolarHBondContact O-N 2.86Å; I288-Q292 VanDerWaalsContact C-NE2 3.33Å; I288-Q292 VanDerWaalsContact O-CG 3.25Å; I288-Q292 WeakPolarHBondContact O-CG 3.34Å; I288-Q292 PolarHBondContact O-N 3.08Å; I288-Q292 PolarHBondContact O-NE2 3.43Å
289E51.8Low51.9Low168 Ų16867.5 Ų67.579%0.78535%0.353SS*.Hα-helixtrans-64.8-25.3-178.5-73.6-175.6124.900113
290E48.8Very low51.2Low155 Ų15571.1 Ų71.172%0.72435%0.353SS*.Hα-helixtrans-76.8-42.8175.9-56.4-175.6157.100112I288 Q292 A293 Q294I288-E290 HydrophobicContact CG2-CB 4.16Å; I288-E290 PolarHBondContact O-N 3.41Å; E290-Q292 VanDerWaalsContact C-N 3.3Å; E290-Q292 PolarHBondContact O-N 2.94Å; E290-A293 PolarHBondContact O-N 2.69Å; E290-Q294 PolarHBondContact O-N 3.06Å
291G48.4Very low50.7Low17 Ų1768.5 Ų68.518%0.17535%0.345CS..Hα-helixtrans-64.7-33.1172.400000112.9I288 A293 Q294 I295I288-G291 PolarHBondContact O-N 2.86Å; G291-A293 PolarHBondContact O-N 2.81Å; G291-Q294 PolarHBondContact O-N 3.28Å; G291-I295 WeakPolarHBondContact O-CG1 3.25Å; G291-I295 PolarHBondContact O-N 3.47Å
292Q50.1Low50.2Low58 Ų5871.8 Ų71.827%0.27135%0.353SS..Hα-helixtrans-58.1-34.2173-75.6164.95600112.6M231 I288 E290 L296M231-Q292 HydrophobicContact CE-CG 3.96Å; I288-Q292 VanDerWaalsContact C-NE2 3.33Å; I288-Q292 VanDerWaalsContact O-CG 3.25Å; I288-Q292 WeakPolarHBondContact O-CG 3.34Å; I288-Q292 PolarHBondContact O-N 3.08Å; I288-Q292 PolarHBondContact O-NE2 3.43Å; E290-Q292 VanDerWaalsContact C-N 3.3Å; E290-Q292 PolarHBondContact O-N 2.94Å; Q292-L296 WeakPolarHBondContact O-CB 3.42Å; Q292-L296 PolarHBondContact O-N 3.5Å
293A50.6Low49.4Very low52 Ų5275.2 Ų75.243%0.4338%0.381SS..Hα-helixtrans-73.7-49.1178.600000112.1E290 G291 I295 L296 E297E290-A293 PolarHBondContact O-N 2.69Å; G291-A293 PolarHBondContact O-N 2.81Å; A293-I295 PolarHBondContact O-N 3.08Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.25Å; A293-E297 PolarHBondContact O-N 2.77Å
294Q50.6Low48.4Very low142 Ų14283.7 Ų83.766%0.66442%0.419SS*.Hα-helixtrans-63.3-41.9-174.3-62.5-178.812.200112.4E290 G291 E297 Q298E290-Q294 PolarHBondContact O-N 3.06Å; G291-Q294 PolarHBondContact O-N 3.28Å; Q294-E297 PolarHBondContact O-N 3.24Å; Q294-Q298 WeakPolarHBondContact O-CB 3.42Å; Q294-Q298 PolarHBondContact O-N 2.89Å
295I51.3Low47.4Very low36 Ų3691.9 Ų91.919%0.18546%0.457CS..Hα-helixtrans-67.5-37.3177.1-61.7170.3000110.9L273 G291 A293 Q298 E299L273-I295 HydrophobicContact CD1-CD1 3.73Å; G291-I295 WeakPolarHBondContact O-CG1 3.25Å; G291-I295 PolarHBondContact O-N 3.47Å; A293-I295 PolarHBondContact O-N 3.08Å; I295-Q298 PolarHBondContact O-N 3.45Å; I295-E299 PolarHBondContact O-N 2.87Å
296L51.3Low46.1Very low94 Ų9495.6 Ų95.649%0.49248%0.48SS..Hα-helixtrans-63.5-42176.2-110.9155.8000112.2M224 Q292 A293 R300M224-L296 HydrophobicContact CE-CD2 3.69Å; M224-L296 HydrophobicContact CE-CG 4.27Å; M224-L296 HydrophobicContact SD-CD2 3.56Å; M224-L296 VanDerWaalsContact SD-CD2 3.56Å; M224-L296 HydrophobicContact SD-CG 4.08Å; Q292-L296 WeakPolarHBondContact O-CB 3.42Å; Q292-L296 PolarHBondContact O-N 3.5Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.25Å; L296-R300 WeakPolarHBondContact O-CB 3.41Å; L296-R300 PolarHBondContact O-N 3.36Å; L296-R300 VanDerWaalsContact O-N 3.13Å
297E55.1Low45.1Very low128 Ų128101.5 Ų101.560%0.59852%0.516SS*.Hα-helixtrans-68.9-41.1174.3-66.9-164.2135.100111.8A293 Q294 R300 C301A293-E297 PolarHBondContact O-N 2.77Å; Q294-E297 PolarHBondContact O-N 3.24Å; E297-R300 WeakPolarHBondContact O-CB 3.43Å; E297-R300 PolarHBondContact O-N 3.39Å; E297-C301 PolarHBondContact O-N 2.88Å; E297-C301 PolarHBondContact O-SG 2.87Å; E297-C301 VanDerWaalsContact O-SG 3.39Å
298Q51.4Low44.1Very low111 Ų111104.9 Ų104.952%0.51954%0.54SS..Hα-helixtrans-65.8-43.2-178.9-156.5-162.469.600112.9Q294 I295 R300 K302Q294-Q298 WeakPolarHBondContact O-CB 3.42Å; Q294-Q298 PolarHBondContact O-N 2.89Å; I295-Q298 PolarHBondContact O-N 3.45Å; Q298-R300 VanDerWaalsContact C-N 3.34Å; Q298-K302 HydrophobicContact CG-CD 4.44Å; Q298-K302 WeakPolarHBondContact O-CB 2.95Å; Q298-K302 WeakPolarHBondContact O-CD 3.34Å; Q298-K302 VanDerWaalsContact O-CG 3.26Å; Q298-K302 WeakPolarHBondContact O-CG 3.46Å; Q298-K302 PolarHBondContact O-N 3.19Å
299E49Very low42.9Very low40 Ų40108 Ų10819%0.18756%0.563CS.*Hα-helixtrans-66-35.8171.7-85.9-115.3129.300111.6K223 M224 I295 K302 A303K223-E299 WeakPolarHBondContact CD-OE2 3.4Å; K223-E299 IonicContact NZ-OE1 2.64Å; K223-E299 PolarHBondContact NZ-OE1 2.91Å; K223-E299 IonicContact NZ-OE2 2.66Å; M224-E299 HydrophobicContact CE-CB 3.48Å; M224-E299 VanDerWaalsContact CE-CB 3.48Å; M224-E299 HydrophobicContact CE-CG 4.34Å; I295-E299 PolarHBondContact O-N 2.87Å; E299-K302 PolarHBondContact O-N 2.94Å; E299-A303 VanDerWaalsContact O-CB 3.23Å; E299-A303 WeakPolarHBondContact O-CB 3.48Å; E299-A303 PolarHBondContact O-N 3.48Å
300R42.3Very low42Very low183 Ų183108.1 Ų108.169%0.69157%0.567SS**Hα-helixtrans-65.3-37.9178.1-166.4-175.7-148.1-178.57.1112.6L296 E297 Q298 F304L296-R300 WeakPolarHBondContact O-CB 3.41Å; L296-R300 PolarHBondContact O-N 3.36Å; L296-R300 VanDerWaalsContact O-N 3.13Å; E297-R300 WeakPolarHBondContact O-CB 3.43Å; E297-R300 PolarHBondContact O-N 3.39Å; Q298-R300 VanDerWaalsContact C-N 3.34Å; R300-F304 PolarHBondContact O-N 3Å
301C39.1Very low41Very low83 Ų83107.3 Ų107.356%0.56156%0.564SS**Hα-helixtrans-70.3-49.1173.3-67.60000111.6E297 A303 F304 E305E297-C301 PolarHBondContact O-N 2.88Å; E297-C301 PolarHBondContact O-SG 2.87Å; E297-C301 VanDerWaalsContact O-SG 3.39Å; C301-A303 PolarHBondContact O-N 3.02Å; C301-F304 WeakPolarHBondContact O-CB 3.49Å; C301-F304 PolarHBondContact O-N 2.7Å; C301-E305 PolarHBondContact O-N 2.78Å
302K42Very low40.1Very low114 Ų114116.6 Ų116.650%0.49659%0.593SS.*Hα-helixtrans-55.2-39176.5-74.1167.4173.8174.30112.6Q298 E299 F304 T306Q298-K302 HydrophobicContact CG-CD 4.44Å; Q298-K302 WeakPolarHBondContact O-CB 2.95Å; Q298-K302 WeakPolarHBondContact O-CD 3.34Å; Q298-K302 VanDerWaalsContact O-CG 3.26Å; Q298-K302 WeakPolarHBondContact O-CG 3.46Å; Q298-K302 PolarHBondContact O-N 3.19Å; E299-K302 PolarHBondContact O-N 2.94Å; K302-F304 VanDerWaalsContact C-N 3.3Å; K302-F304 PolarHBondContact O-N 2.98Å; K302-T306 PolarHBondContact O-OG1 3.1Å
303A36Very low39Very low73 Ų73122.7 Ų122.760%0.60362%0.622SS**Hα-helixtrans-72.1-17.4176.900000114.5E299 C301E299-A303 VanDerWaalsContact O-CB 3.23Å; E299-A303 WeakPolarHBondContact O-CB 3.48Å; E299-A303 PolarHBondContact O-N 3.48Å; C301-A303 PolarHBondContact O-N 3.02Å
304F32.9Very low38Very low182 Ų182131.2 Ų131.280%0.79864%0.644SS**Hα-helixtrans-88.5-25.1177.3-132.4-91.3000112.8R300 C301 K302R300-F304 PolarHBondContact O-N 3Å; C301-F304 WeakPolarHBondContact O-CB 3.49Å; C301-F304 PolarHBondContact O-N 2.7Å; K302-F304 VanDerWaalsContact C-N 3.3Å; K302-F304 PolarHBondContact O-N 2.98Å
305E34.4Very low37Very low173 Ų173132.9 Ų132.981%0.80865%0.652SS**Hα-helixtrans-98.7-4.9-171.7-156.9155.1-137.400113.5C301C301-E305 PolarHBondContact O-N 2.78Å
306T28.6Very low36Very low99 Ų99136 Ų13661%0.60768%0.675SS**  trans-121.561.6179.8490000112.9K302 V308K302-T306 PolarHBondContact O-OG1 3.1Å; T306-V308 PolarHBondContact O-N 2.86Å
307V27.9Very low34.9Very low137 Ų137135.5 Ų135.583%0.8368%0.684SS**  trans-7571.4173.1-170.90000110.8
308V30.3Very low33.6Very low110 Ų110137.2 Ų137.267%0.66770%0.696SS**  trans-107.7129.3171.4179.10000108.3T306 I310T306-V308 PolarHBondContact O-N 2.86Å; V308-I310 PolarHBondContact O-N 3.33Å; V308-I310 VanDerWaalsContact O-N 3.14Å
309P28.6Very low32.6Very low114 Ų114135.4 Ų135.474%0.7471%0.707SS**  trans-69.5111.9-179.927.8-33.6000110.6E311P309-E311 PolarHBondContact O-N 3.03Å
310I32.9Very low31.8Very low169 Ų169139.1 Ų139.187%0.86773%0.732SS**  trans-7777.6175.9-53177000109.2V308V308-I310 PolarHBondContact O-N 3.33Å; V308-I310 VanDerWaalsContact O-N 3.14Å
311E29.3Very low31.3Very low139 Ų139134.7 Ų134.765%0.6572%0.716SS**  trans-96.3134.1160.5-79.6-160176.900110.7P309P309-E311 PolarHBondContact O-N 3.03Å
312R28.5Very low30.7Very low212 Ų212135 Ų13580%0.873%0.733SS**SBendtrans90.4159.6166.5-55.1160.3-158.3-1614.6116.8
313E27.2Very low30.3Very low185 Ų185135.7 Ų135.786%0.86474%0.736SS**  trans56.977.2177.5-59.7-163.5150.500117.6
314Y29.7Very low30Very low231 Ų231140.3 Ų140.391%0.90675%0.746SS**  trans-134.387.9147.2-113-89.9000109.9
315E30Very low30.1Very low177 Ų177137.8 Ų137.883%0.82774%0.736SS**  trans-73.6146162.3-82.4-149.9127.500110.4A317E315-A317 PolarHBondContact O-N 3.11Å; E315-A317 VanDerWaalsContact O-N 3.11Å
316P29.4Very low30.2Very low103 Ų103135.5 Ų135.567%0.66973%0.729SS**  trans-76.4103.5-177.330.4-33.9000111.2I318P316-I318 HydrophobicContact CB-CD1 4.28Å; P316-I318 HydrophobicContact CB-CG1 4.23Å; P316-I318 PolarHBondContact O-N 3.01Å
317A28.8Very low30.7Very low82 Ų82136 Ų13668%0.67873%0.734SS**  trans-67.229.7174.200000115E315 G319E315-A317 PolarHBondContact O-N 3.11Å; E315-A317 VanDerWaalsContact O-N 3.11Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.17Å
318I28.4Very low31.2Very low164 Ų164137.5 Ų137.584%0.84173%0.733SS**THydrogen-bonded Turntrans-83.170.2178.5-50176.8000108.8P316P316-I318 HydrophobicContact CB-CD1 4.28Å; P316-I318 HydrophobicContact CB-CG1 4.23Å; P316-I318 PolarHBondContact O-N 3.01Å
319G28.5Very low31.6Very low73 Ų73141.2 Ų141.275%0.75374%0.736SS**THydrogen-bonded Turntrans-164.5-18.2-178.500000118.4A317A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.17Å
320V32.5Very low32Very low119 Ų119142.8 Ų142.872%0.72173%0.731SS**SBendtrans-98.9-21.8-167.9-173.10000113.7
321Y31.6Very low32.3Very low90 Ų90141.1 Ų141.135%0.35372%0.718SS.*SBendtrans-92.1126.7-175.9-59-81.6000112.5H266 M268 F323H266-Y321 HydrophobicContact CB-CE1 3.95Å; H266-Y321 WeakPolarHBondContact CB-OH 3.45Å; H266-Y321 AromaticContact CD2-CE1 3.46Å; H266-Y321 VanDerWaalsContact CD2-CE1 3.46Å; H266-Y321 WeakPolarHBondContact CD2-CE1 3.07Å; H266-Y321 AromaticContact CG-CE1 3.87Å; H266-Y321 PolarHBondContact O-OH 3.41Å; M268-Y321 HydrophobicContact CE-CE1 3.86Å; M268-Y321 WeakPolarHBondContact CE-OH 3.23Å; M268-Y321 HydrophobicContact SD-CE1 4.49Å; M268-Y321 HydrophobicContact SD-CE2 4.12Å; M268-Y321 PolarHBondContact SD-OH 3.47Å; Y321-F323 PolarHBondContact O-N 2.79Å
322G27.1Very low32.7Very low89 Ų89140.7 Ų140.792%0.91872%0.715SS**  trans-7240.2178.100000115.5
323F33Very low33.2Very low128 Ų128132.8 Ų132.856%0.56170%0.696SS**  trans-84.6114.7167.1-83.9-82000109.4Y321 E325Y321-F323 PolarHBondContact O-N 2.79Å; F323-E325 VanDerWaalsContact C-N 3.3Å; F323-E325 HydrophobicContact CB-CG 4.42Å; F323-E325 PolarHBondContact O-N 2.97Å
324Q30.6Very low33.8Very low171 Ų171131 Ų13180%0.79969%0.685SS**  trans-84.773.2-178.9-167.9-178.5-40.600110.4
325E35.6Very low34.6Very low129 Ų129123.6 Ų123.660%0.60366%0.659SS**  trans-98.5144176.4-63.1-173.2168.400111.3F323F323-E325 VanDerWaalsContact C-N 3.3Å; F323-E325 HydrophobicContact CB-CG 4.42Å; F323-E325 PolarHBondContact O-N 2.97Å
326D34.9Very low35.1Very low124 Ų124120.5 Ų120.566%0.66365%0.647SS**  trans-82.7130.8-161-77.2-57.1000114.8E328 Y329D326-E328 VanDerWaalsContact C-N 3.27Å; D326-E328 PolarHBondContact O-N 3.48Å; D326-E328 VanDerWaalsContact O-N 3.16Å; D326-Y329 PolarHBondContact O-N 3.44Å
327P39.5Very low35.7Very low110 Ų110121.6 Ų121.671%0.71464%0.643SS**THydrogen-bonded Turntrans-74.1-6.3-170.930.1-37.1000115.4
328E39.6Very low36.6Very low169 Ų169122.1 Ų122.179%0.7963%0.632SS**THydrogen-bonded Turntrans-88-26.7177.2-63.3-167.3149.800112.5D326 K331D326-E328 VanDerWaalsContact C-N 3.27Å; D326-E328 PolarHBondContact O-N 3.48Å; D326-E328 VanDerWaalsContact O-N 3.16Å; E328-K331 PolarHBondContact O-N 3.3Å
329Y37.4Very low37.2Very low188 Ų188119 Ų11974%0.73762%0.616SS**Hα-helixtrans-66.7-45-177.6-160.2-96.6000112.1D326 K331 A333D326-Y329 PolarHBondContact O-N 3.44Å; Y329-K331 PolarHBondContact O-N 2.98Å; Y329-A333 WeakPolarHBondContact O-CB 3.28Å; Y329-A333 PolarHBondContact O-N 2.86Å; Y329-A333 VanDerWaalsContact O-N 3.1Å
330F36.6Very low37.8Very low147 Ų147118.4 Ų118.465%0.64560%0.604SS**Hα-helixtrans-71.7-26-179.2-98.7-81.9000114.3K334F330-K334 WeakPolarHBondContact O-CB 3.45Å; F330-K334 PolarHBondContact O-N 3.17Å
331K40.4Very low38Very low134 Ų134120.6 Ų120.658%0.58360%0.6SS**Hα-helixtrans-67.2-47.7177.7-167.8172.9-174.1-76.80110.5E328 Y329 K334 E335E328-K331 PolarHBondContact O-N 3.3Å; Y329-K331 PolarHBondContact O-N 2.98Å; K331-K334 PolarHBondContact O-N 3.35Å; K331-E335 IonicContact NZ-OE1 2.66Å; K331-E335 PolarHBondContact NZ-OE1 3.1Å; K331-E335 WeakPolarHBondContact O-CB 3.48Å; K331-E335 VanDerWaalsContact O-CG 3.27Å; K331-E335 WeakPolarHBondContact O-CG 3.24Å; K331-E335 PolarHBondContact O-N 3.49Å
332H38.5Very low38.2Very low129 Ų129124.1 Ų124.160%0.59761%0.613SS**Hα-helixtrans-70.5-35.6178.1-127.431.1000112.5K334 E335 L336H332-K334 PolarHBondContact O-N 3.03Å; H332-E335 IonicContact CE1-OE2 3.73Å; H332-E335 IonicContact ND1-OE2 2.89Å; H332-E335 PolarHBondContact ND1-OE2 3.03Å; H332-E335 PolarHBondContact O-N 3.23Å; H332-L336 WeakPolarHBondContact O-CB 3.35Å; H332-L336 PolarHBondContact O-N 3.22Å
333A38.5Very low38.7Very low47 Ų47125.4 Ų125.439%0.38860%0.599SS.*Hα-helixtrans-61.7-41172.800000112.6Y329 L336 H337Y329-A333 WeakPolarHBondContact O-CB 3.28Å; Y329-A333 PolarHBondContact O-N 2.86Å; Y329-A333 VanDerWaalsContact O-N 3.1Å; A333-L336 PolarHBondContact O-N 2.85Å; A333-H337 WeakPolarHBondContact O-CB 3.43Å; A333-H337 PolarHBondContact O-N 3.03Å
334K38.5Very low38.9Very low146 Ų146127 Ų12764%0.63561%0.61SS**Hα-helixtrans-72.2-37.7177.5-166.7169.2-176.5174.10112.4F330 K331 H332 H337 E338F330-K334 WeakPolarHBondContact O-CB 3.45Å; F330-K334 PolarHBondContact O-N 3.17Å; K331-K334 PolarHBondContact O-N 3.35Å; H332-K334 PolarHBondContact O-N 3.03Å; K334-H337 PolarHBondContact O-N 3.05Å; K334-E338 PolarHBondContact O-N 3.3Å
335E46.4Very low39.1Very low77 Ų77127.2 Ų127.236%0.3661%0.611SS.*Hα-helixtrans-61.8-42.6171.8-73.1164.7172.600111.6K331 H332 L339K331-E335 IonicContact NZ-OE1 2.66Å; K331-E335 PolarHBondContact NZ-OE1 3.1Å; K331-E335 WeakPolarHBondContact O-CB 3.48Å; K331-E335 VanDerWaalsContact O-CG 3.27Å; K331-E335 WeakPolarHBondContact O-CG 3.24Å; K331-E335 PolarHBondContact O-N 3.49Å; H332-E335 IonicContact CE1-OE2 3.73Å; H332-E335 IonicContact ND1-OE2 2.89Å; H332-E335 PolarHBondContact ND1-OE2 3.03Å; H332-E335 PolarHBondContact O-N 3.23Å; E335-L339 WeakPolarHBondContact O-CB 3.48Å; E335-L339 PolarHBondContact O-N 2.97Å
336L41Very low39.1Very low111 Ų111127.6 Ų127.658%0.58162%0.616SS**Hα-helixtrans-64.4-40173.7-113.376.7000112.5H332 A333 L339 A340H332-L336 WeakPolarHBondContact O-CB 3.35Å; H332-L336 PolarHBondContact O-N 3.22Å; A333-L336 PolarHBondContact O-N 2.85Å; L336-L339 PolarHBondContact O-N 3.23Å; L336-A340 WeakPolarHBondContact O-CB 3.46Å; L336-A340 PolarHBondContact O-N 3.28Å
337H41.8Very low38.8Very low127 Ų127130.5 Ų130.559%0.58863%0.625SS**Hα-helixtrans-70.6-38.5-177.2-156.761.6000112.2A333 K334 A340 Y341A333-H337 WeakPolarHBondContact O-CB 3.43Å; A333-H337 PolarHBondContact O-N 3.03Å; K334-H337 PolarHBondContact O-N 3.05Å; H337-A340 PolarHBondContact O-N 2.88Å; H337-Y341 PolarHBondContact O-N 2.87Å; H337-Y341 VanDerWaalsContact O-N 3.11Å
338E48.6Very low38.5Very low93 Ų93131.9 Ų131.944%0.43563%0.632SS.*Hα-helixtrans-66.6-38.3169.7-85.3-162.3-142.600112.7K334 Y341 R342K334-E338 PolarHBondContact O-N 3.3Å; E338-Y341 PolarHBondContact O-N 3.25Å; E338-R342 WeakPolarHBondContact O-CB 3.46Å; E338-R342 VanDerWaalsContact O-CG 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.41Å; E338-R342 PolarHBondContact O-N 3.3Å; E338-R342 IonicContact OE2-CZ 3.45Å; E338-R342 IonicContact OE2-NE 3.39Å; E338-R342 PolarHBondContact OE2-NE 3.1Å; E338-R342 IonicContact OE2-NH2 2.7Å; E338-R342 PolarHBondContact OE2-NH2 2.74Å
339L41.7Very low38Very low98 Ų98132.2 Ų132.251%0.51364%0.639SS.*Hα-helixtrans-65-39.4175.1-90.8160.3000112.3E335 L336 N343E335-L339 WeakPolarHBondContact O-CB 3.48Å; E335-L339 PolarHBondContact O-N 2.97Å; L336-L339 PolarHBondContact O-N 3.23Å; L339-N343 WeakPolarHBondContact O-CB 3.4Å; L339-N343 PolarHBondContact O-N 2.82Å; L339-N343 VanDerWaalsContact O-N 3.13Å; L339-N343 PolarHBondContact O-ND2 3.32Å
340A40.1Very low37.8Very low60 Ų60130.5 Ų130.550%0.49664%0.643SS.*Hα-helixtrans-62.1-45.117500000111.8L336 H337L336-A340 WeakPolarHBondContact O-CB 3.46Å; L336-A340 PolarHBondContact O-N 3.28Å; H337-A340 PolarHBondContact O-N 2.88Å
341Y36.9Very low37.6Very low166 Ų166127.4 Ų127.465%0.65164%0.639SS**Hα-helixtrans-72.8-40.1179.2-104.6-84.7000113.7H337 E338 N343 M344H337-Y341 PolarHBondContact O-N 2.87Å; H337-Y341 VanDerWaalsContact O-N 3.11Å; E338-Y341 PolarHBondContact O-N 3.25Å; Y341-N343 PolarHBondContact O-N 3.17Å; Y341-M344 PolarHBondContact O-N 2.92Å
342R35.5Very low37.3Very low164 Ų164127.1 Ų127.162%0.61964%0.644SS**Hα-helixtrans-66.9-36.6178.8-71.8-177.3-163.9-145.68.7112.7E338 M344E338-R342 WeakPolarHBondContact O-CB 3.46Å; E338-R342 VanDerWaalsContact O-CG 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.41Å; E338-R342 PolarHBondContact O-N 3.3Å; E338-R342 IonicContact OE2-CZ 3.45Å; E338-R342 IonicContact OE2-NE 3.39Å; E338-R342 PolarHBondContact OE2-NE 3.1Å; E338-R342 IonicContact OE2-NH2 2.7Å; E338-R342 PolarHBondContact OE2-NH2 2.74Å; R342-M344 PolarHBondContact O-N 3.46Å
343N38.5Very low37.1Very low116 Ų116129.5 Ų129.562%0.6266%0.66SS**Hα-helixtrans-75-11.9-179.9-68.3-18000113.2L339 Y341L339-N343 WeakPolarHBondContact O-CB 3.4Å; L339-N343 PolarHBondContact O-N 2.82Å; L339-N343 VanDerWaalsContact O-N 3.13Å; L339-N343 PolarHBondContact O-ND2 3.32Å; Y341-N343 PolarHBondContact O-N 3.17Å
344M35.8Very low36.6Very low160 Ų160135 Ų13579%0.78868%0.675SS**THydrogen-bonded Turntrans-89.7-4.6178.9-131.4172.1-168.500114.2Y341 R342Y341-M344 PolarHBondContact O-N 2.92Å; R342-M344 PolarHBondContact O-N 3.46Å
345Q36.2Very low36.3Very low176 Ų176136.4 Ų136.482%0.82268%0.684SS**THydrogen-bonded Turntrans-10414.3178.5-70.2-169.4-32.100114.1
346I34.9Very low35.6Very low138 Ų138137.1 Ų137.171%0.70870%0.703SS**SBendtrans-127.635.5-178.9-36.1-178.4000111.9
347Q29.2Very low35Very low184 Ų184141.5 Ų141.586%0.8671%0.713SS**SBendtrans-166.369.6165.7-119.7169.615.700115.1
348T32.6Very low34.2Very low139 Ų139141.6 Ų141.685%0.85372%0.722SS**  trans-163.590.7147.826.60000109.6D350T348-D350 PolarHBondContact O-N 3.49Å
349D28.2Very low33.4Very low177 Ų177144.8 Ų144.895%0.94774%0.737SS**  trans-72.5107.4148.3-83.7-52.4000107.2
350D34.2Very low32.9Very low152 Ų152146 Ų14681%0.81375%0.749SS**  trans-148.4162.7133.4-146.8-19.8000110.6T348T348-D350 PolarHBondContact O-N 3.49Å
351S32.8Very low32.3Very low81 Ų81150.6 Ų150.657%0.56676%0.764SS**  trans-99.3158.6-163.256.10000112.4
352N33.5Very low31.9Very low128 Ų128149.8 Ų149.868%0.68478%0.777SS**  trans77.190.4169.8-42.7-76.7000117.2
353L34.9Very low31.6Very low180 Ų180145.4 Ų145.494%0.94278%0.782SS**  -145.8155.8110.3-132.467.5000110.1
354K28.4Very low31.3Very low161 Ų161149.3 Ų149.370%0.780%0.797SS**  trans-126.9159.9-167.3-64.7178.5179174.90112.1
355H31.3Very low30.8Very low177 Ų177153 Ų15382%0.81980%0.804SS**  trans71141.6170.7-50.5-75.1000113.9
356A30.8Very low30.4Very low91 Ų91148.1 Ų148.175%0.75279%0.794SS**  cis-166.6161.7-7.400000107.6
357Y28.3Very low30.2Very low204 Ų204149.4 Ų149.480%0.880%0.802SS**  cis-165.5158.4-25.4-160.6-91.7000105.5
358V26.7Very low30.3Very low128 Ų128145.3 Ų145.378%0.77680%0.8SS**  trans-121.3130.4-173.5175.40000111.9
359Q31.9Very low30Very low161 Ų161147.7 Ų147.775%0.75280%0.801SS**  trans-178.6153.6160.6-105.3154.9-16.500110.9
360T30.2Very low30.1Very low124 Ų124147.7 Ų147.776%0.76180%0.796SS**  cis-168.1149.9-29.8-95.10000108.5
361L26.8Very low29.9Very low156 Ų156147.3 Ų147.382%0.81780%0.799SS**  trans-68.8143.8176.4-70.8141.9000114.2
362T29.6Very low29.6Very low148 Ų148150.9 Ų150.991%0.90881%0.807SS**  trans-178.3139.6134.533.20000112.9
363G29.9Very low29.4Very low72 Ų72151.1 Ų151.174%0.74281%0.813SS**  trans85.6148.8164.900000116
364E30.6Very low28.9Very low199 Ų199148.4 Ų148.493%0.9380%0.799SS**  cis-149.5171.6-6.8-104.5-175.913500110.8
365Y25.4Very low28.9Very low236 Ų236150.8 Ų150.893%0.92581%0.81SS**  trans-86.7150.3177.8-86.5-108.6000112.4
366A28.7Very low28.6Very low75 Ų75147.5 Ų147.562%0.6281%0.806SS**  145.2145.8118.700000115
367N29.9Very low28.3Very low164 Ų164151 Ų15188%0.87781%0.807SS**  trans68.9152.9165.7-45.5-35.4000116
368A31Very low28.2Very low98 Ų98148.3 Ų148.381%0.8181%0.812SS**  cis-134.8168.1-1.300000111.3
369E28.1Very low28Very low189 Ų189152.4 Ų152.488%0.88381%0.813SS**  trans-84.9176.3179.4-61171.8107.100113
370Q28.9Very low27.7Very low178 Ų178149.3 Ų149.383%0.83281%0.809SS**  trans75.894.7141.8-163.7172.750.700119.6
371T30.9Very low27.3Very low144 Ų144151.3 Ų151.388%0.88381%0.812SS**  -153.1130.2123.1-90000111.6
372Q26.5Very low27.2Very low156 Ų156152 Ų15273%0.72981%0.811SS**  trans-116.9133.5171.9170-175.8-1100107.6D374Q372-D374 PolarHBondContact NE2-OD2 3.43Å
373T29.6Very low26.9Very low133 Ų133151.1 Ų151.182%0.81681%0.806SS**  trans-142.6102.6165.652.10000108.9
374D24.7Very low26.7Very low122 Ų122153 Ų15365%0.65281%0.807SS**  trans-67.6152.3170.1-59.8-86.3000111Q372Q372-D374 PolarHBondContact NE2-OD2 3.43Å
375F28.5Very low26.4Very low211 Ų211149.5 Ų149.593%0.92580%0.799SS**  trans-136.4127.8159.8-123.5-86.2000108.4
376C24.1Very low26.4Very low108 Ų108145.6 Ų145.673%0.7379%0.793SS**  trans-122.1154.4-169.2-1570000111.2
377E25.2Very low26.3Very low165 Ų165145.9 Ų145.977%0.77179%0.79SS**  trans60130.6174.5-55-157.6109.200116.2
378T25.4Very low26Very low147 Ų147145.5 Ų145.590%0.90279%0.785SS**  -146145.278-60.40000112.1
379R22.3Very low25.9Very low215 Ų215148.8 Ų148.881%0.81178%0.783SS**  trans-104.995.4-168.5-173.7-173.8-165163.85.1112
380S25.5Very low26Very low95 Ų95144 Ų14466%0.66476%0.764SS**  trans-84.5137.8168.6-168.80000111.4
381M22.2Very low26Very low166 Ų166143.7 Ų143.782%0.81876%0.76SS**  trans-10675.1178.6-74.4-177.757.600111
382E25.2Very low25.7Very low172 Ų172140.6 Ų140.680%0.80476%0.757SS**  trans-84.1123.3177.6-66.3-165.5171.200112.4S384E382-S384 PolarHBondContact O-N 3.11Å
383T23.1Very low25.8Very low129 Ų129139 Ų13979%0.79176%0.758SS**  trans-88.591-176-60.20000109.8V385T383-V385 PolarHBondContact O-N 2.85Å
384S25.2Very low25.6Very low110 Ų110140.8 Ų140.877%0.76976%0.762SS**  trans-69.595.2179.3490000112.1E382 I386E382-S384 PolarHBondContact O-N 3.11Å; S384-I386 PolarHBondContact O-N 3.42Å; S384-I386 VanDerWaalsContact O-N 3.09Å
385V24.7Very low25.7Very low127 Ų127142.7 Ų142.777%0.7777%0.769SS**  trans-66.1107174.7179.20000109.4T383 S387T383-V385 PolarHBondContact O-N 2.85Å; V385-S387 PolarHBondContact O-N 3.28Å
386I25.5Very low25.4Very low153 Ų153142 Ų14279%0.78577%0.769SS**  trans-67.896.3177.5-56.3174.7000109.2S384S384-I386 PolarHBondContact O-N 3.42Å; S384-I386 VanDerWaalsContact O-N 3.09Å
387S25.6Very low25.6Very low81 Ų81142.5 Ų142.557%0.56677%0.768SS**  trans-66.6144178.582.20000111.6V385 H389V385-S387 PolarHBondContact O-N 3.28Å; S387-H389 PolarHBondContact OG-ND1 2.96Å; S387-H389 VanDerWaalsContact OG-ND1 3.08Å
388M25Very low25.5Very low157 Ų157143.7 Ų143.777%0.77377%0.774SS**  trans-97.884.7171.6-70.4-155.4-165.900110.3D390M388-D390 PolarHBondContact O-N 3.48Å
389H28.4Very low25.7Very low166 Ų166142.7 Ų142.777%0.76977%0.767SS**  trans-90.985.5166.1-80.586.3000110.7S387S387-H389 PolarHBondContact OG-ND1 2.96Å; S387-H389 VanDerWaalsContact OG-ND1 3.08Å
390D28.8Very low26Very low90 Ų90140.9 Ų140.948%0.48177%0.77SS.*  trans-110.9130.9156.5-98.3-50.8000106R114 M388R114-D390 IonicContact NH1-OD1 3.93Å; R114-D390 IonicContact NH1-OD2 3.82Å; M388-D390 PolarHBondContact O-N 3.48Å
391F29.1Very low26.1Very low170 Ų170143.3 Ų143.375%0.74678%0.776SS**SBendtrans74.5127.6-171.3-59.6-86.3000116.6
392G26.3Very low26.5Very low80 Ų80143.8 Ų143.883%0.82578%0.776SS**  trans-87.5107.8178.800000112.1
393V27.5Very low26.6Very low122 Ų122143.3 Ų143.374%0.73977%0.773SS**  trans-136.4115.2156.3176.70000104.8M395V393-M395 PolarHBondContact O-N 3.25Å
394D25.1Very low26.9Very low170 Ų170144.6 Ų144.691%0.90978%0.782SS**  trans-66.1125.8176.8-54.7-62000109
395M26.5Very low26.9Very low163 Ų163146.5 Ų146.580%0.80378%0.778SS**  trans-137.3103.3-177.6-167.6168.4-169.700109.2V393V393-M395 PolarHBondContact O-N 3.25Å
396E23.9Very low27Very low197 Ų197147.4 Ų147.492%0.92178%0.784SS**  trans-58.8135.4171.2-65.7177.1113.300109.9
397V27.6Very low27.1Very low118 Ų118145.6 Ų145.672%0.71578%0.776SS**  trans-120.295.6173.2-177.10000108V399V397-V399 HydrophobicContact CG1-CG2 4.02Å; V397-V399 PolarHBondContact O-N 2.82Å
398E22.9Very low27.1Very low190 Ų190148.9 Ų148.989%0.88878%0.784SS**  trans-66.1117168.9-175.6177.5-149.100109
399V29.5Very low27.2Very low125 Ų125151.5 Ų151.576%0.75879%0.787SS**  trans-107.9110.8-180-178.80000109.7V397V397-V399 HydrophobicContact CG1-CG2 4.02Å; V397-V399 PolarHBondContact O-N 2.82Å
400M27.6Very low27.2Very low178 Ų178150 Ų15088%0.87778%0.783SS**  trans-69.2144.2171.8-90.2177.854.100112
401N28.8Very low27.2Very low146 Ų146152.8 Ų152.878%0.78180%0.798SS**  trans-78.3136.6-173.91778.9000112.9Q403N401-Q403 PolarHBondContact OD1-N 3.38Å
402E30.8Very low27.1Very low175 Ų175152.5 Ų152.582%0.81880%0.799SS**  trans-151.599.5149.8-137.2166.2-136.300114.4
403Q27.7Very low27.4Very low162 Ų162156.9 Ų156.976%0.75780%0.798SS**  trans43.8109.3142.5-56.2-177.79.200120.6N401N401-Q403 PolarHBondContact OD1-N 3.38Å
404T28.4Very low27.5Very low157 Ų157155.2 Ų155.296%0.96379%0.791SS**  -152.7159.3117.7-8.70000110.9
405Q24.9Very low27.7Very low150 Ų150153.4 Ų153.470%0.70179%0.786SS**  trans-130.5133-163.6176-170.8-5.100111.8D407Q405-D407 PolarHBondContact NE2-OD1 3.35Å; Q405-D407 VanDerWaalsContact NE2-OD1 3.17Å
406T28Very low27.9Very low146 Ų146153.8 Ų153.890%0.89679%0.786SS**  trans-154.7147.5157.913.40000109.4
407D27.5Very low28.2Very low115 Ų115150.4 Ų150.462%0.61578%0.779SS**  trans-106.8150.3-152.2-50.4-76.8000116Q405Q405-D407 PolarHBondContact NE2-OD1 3.35Å; Q405-D407 VanDerWaalsContact NE2-OD1 3.17Å
408M24.8Very low28.4Very low150 Ų150152.3 Ų152.374%0.73979%0.785SS**  trans49.9125.3142.9-68.6176.262.100121.2
409Y28.2Very low28.8Very low212 Ų212147.3 Ų147.383%0.83178%0.776SS**  -150.4156.890.2-124.3-94.2000111.5
410I26.5Very low28.9Very low133 Ų133149.5 Ų149.568%0.68278%0.782SS**  trans-124.3143176.9-61172.7000107.3E412I410-E412 HydrophobicContact CG2-CG 3.93Å
411D28.9Very low29.2Very low149 Ų149149.5 Ų149.580%0.79778%0.78SS**  trans-128.5127.5161.8-1659.6000108.9
412E26.8Very low29.2Very low165 Ų165150.5 Ų150.577%0.77178%0.784SS**  trans-111.6105.5-173-75.7-166.4130.700111.2I410I410-E412 HydrophobicContact CG2-CG 3.93Å
413H34.2Very low29.3Very low171 Ų171146.1 Ų146.179%0.79278%0.778SS**  trans-119.562.3168.2-98.2-71.3000114.1
414S29.6Very low29.3Very low87 Ų87143.6 Ų143.661%0.60878%0.778SS**  32129.6126.649.30000120.9
415V29.5Very low29.5Very low132 Ų132140.8 Ų140.880%0.876%0.761SS**  trans74.3134.1155.2175.70000114.5
416Q30.8Very low29.8Very low172 Ų172142.1 Ų142.180%0.80477%0.767SS**  cis-138.3149.925.5-160.5157.8-38.200114.2
417T28.3Very low30Very low125 Ų125143.5 Ų143.577%0.76777%0.765SS**  trans-85.9135.7173.6-38.90000111.4
418D33.3Very low30.1Very low159 Ų159145.9 Ų145.985%0.8577%0.773SS**  trans-139.2150.5150.2-104.3-41.4000108.6
419A31Very low30.3Very low84 Ų84145.3 Ų145.369%0.69478%0.778SS**  trans-119.9136.1-165.300000113.3
420I32.2Very low30.6Very low171 Ų171144.4 Ų144.488%0.87778%0.781SS**  trans-131.9148.7157.4-83.2101.4000109.6
421E32.2Very low30.9Very low178 Ų178149.2 Ų149.283%0.83279%0.791SS**  trans-70.7151-155.6-62.4161.9119.600116.9A423E421-A423 PolarHBondContact O-N 3.07Å
422L29.4Very low31.2Very low168 Ų168146.1 Ų146.188%0.8879%0.794SS**  trans-65.2106.9155.5-97.3145.3000109.7
423A32.5Very low31.5Very low82 Ų82142.8 Ų142.868%0.67879%0.794SS**  trans-102.769.3174.800000111.9E421 V425E421-A423 PolarHBondContact O-N 3.07Å; A423-V425 HydrophobicContact CB-CG2 4.41Å; A423-V425 PolarHBondContact O-N 3.09Å
424S28.2Very low31.5Very low110 Ų110143.8 Ų143.877%0.76980%0.799SS**  trans-68.990.7169.1-58.50000110.1
425V33.4Very low31.7Very low98 Ų98144 Ų14459%0.59481%0.807SS**  trans-120.3110.5-175.2178.90000111.4A423 M427A423-V425 HydrophobicContact CB-CG2 4.41Å; A423-V425 PolarHBondContact O-N 3.09Å; V425-M427 HydrophobicContact CG1-CE 3.94Å; V425-M427 HydrophobicContact CG1-CG 4.36Å; V425-M427 PolarHBondContact O-N 3.43Å
426E30.3Very low31.9Very low177 Ų177146.3 Ų146.383%0.82781%0.806SS**  trans-61.4128.7157.5-56.3172.4104.900108.7
427M32.3Very low32Very low175 Ų175146.1 Ų146.186%0.86281%0.805SS**  trans-122.2114.4165.3-112.9-177.5-78.100111.5V425V425-M427 HydrophobicContact CG1-CE 3.94Å; V425-M427 HydrophobicContact CG1-CG 4.36Å; V425-M427 PolarHBondContact O-N 3.43Å
428Q29.1Very low32.4Very low166 Ų166145.2 Ų145.278%0.77680%0.804SS**  trans-83.2158.8179.4-61.9176.90.300110.6E430Q428-E430 PolarHBondContact O-N 3.03Å
429T30.4Very low32.4Very low138 Ų138142.8 Ų142.885%0.84780%0.799SS**  trans-34.7114.5173.5-49.40000114.2
430E34.6Very low32.5Very low192 Ų192144.5 Ų144.590%0.89780%0.801SS**  trans-59.2139.6168.7-70.9-161.5125.200111.1Q428Q428-E430 PolarHBondContact O-N 3.03Å
431R31.9Very low32.6Very low235 Ų235144.2 Ų144.289%0.88780%0.796SS**  trans-133.5106.6179.6-157.8-178.4-160.2-177.36.6110A433R431-A433 PolarHBondContact O-N 2.92Å
432G35.8Very low32.4Very low83 Ų83142.2 Ų142.286%0.85680%0.796SS**  trans-53.9128.4172.300000110.9
433A32.9Very low32.6Very low95 Ų95144.5 Ų144.579%0.78579%0.794SS**  trans-89.7144.8-171.100000112.7R431R431-A433 PolarHBondContact O-N 2.92Å
434Q34.2Very low32.7Very low192 Ų192151.4 Ų151.490%0.89780%0.803SS**  -164.9121.3126-108.8172.92300114.3
435A33.2Very low32.9Very low92 Ų92154.8 Ų154.876%0.7681%0.806SS**  trans62140.2139.900000123.3
436K34.1Very low33.1Very low180 Ų180155.9 Ų155.978%0.78382%0.815SS**  trans76.680.4156.8-67.3-168169.9-176.10120.9
437E34.1Very low33.6Very low168 Ų168152.9 Ų152.979%0.78581%0.814SS**  63.2135.5108.3-68.5173.2125.700122.5
438S35.2Very low34.1Very low107 Ų107150.4 Ų150.475%0.74881%0.811SS**  trans91.9113.9148.675.90000120.1
439S33.8Very low34.6Very low107 Ų107150.1 Ų150.175%0.74882%0.815SS**  trans45.4144.3137.255.10000122.6
440V33.1Very low34.9Very low120 Ų120148.5 Ų148.573%0.72781%0.809SS**  cis179.9167.5-23.4117.30000106.7
441Q33.9Very low34.9Very low165 Ų165145.4 Ų145.477%0.77181%0.807SS**  trans7099.9164.8-89.1156.8-1300119.6
442T28Very low35.2Very low136 Ų136139.4 Ų139.483%0.83480%0.802SS**  trans-56.7143.2147.5-41.10000111.5
443Y33.1Very low35.4Very low216 Ų216140.5 Ų140.585%0.84780%0.796SS**  trans-135.3159.5158.1-119.4-91.9000112.1
444R35.5Very low35.6Very low228 Ų228141.8 Ų141.886%0.8679%0.794SS**  trans-109.6138.8-170.7178.2-171.3-101.9134.5-8.2109.8
445E32.3Very low35.9Very low180 Ų180140.8 Ų140.884%0.84179%0.79SS**  trans-59.3155.8172.7-65.3-174.7115.800112.4
446P38.4Very low36.1Very low121 Ų121141.6 Ų141.679%0.78679%0.785SS**  -134.5172.3103.538.5-29.6000115.7
447S40Very low36.5Very low114 Ų114140.4 Ų140.480%0.79779%0.788SS**  trans-59.2164.3-173.247.20000117.3
448P43Very low36.9Very low123 Ų123137.3 Ų137.380%0.79979%0.79SS**  trans-108.3177-154.642.5-37.3000115.5
449D38.8Very low37.4Very low160 Ų160137.3 Ų137.386%0.85679%0.788SS**  trans-162.5165.4141.6-124.4-32.2000115.1
450S37.9Very low38.1Very low105 Ų105137.3 Ų137.373%0.73479%0.785SS**  trans67.283.7167.462.10000122.7
451C34.9Very low39Very low126 Ų126134.7 Ų134.785%0.85178%0.777SS**  trans27.3123.5130-60.20000122.9
452S37.5Very low39.8Very low110 Ų110132.7 Ų132.777%0.76977%0.77SS**  147138.6100.760.40000116.4
453S39.9Very low41.1Very low105 Ų105133.8 Ų133.873%0.73476%0.764SS**  trans16.6134.5153.657.80000120.4
454T36.9Very low42.6Very low122 Ų122128.3 Ų128.375%0.74875%0.749SS**  -164.6154.850.7-490000113.1
455Q39.8Very low44.3Very low172 Ų172124.6 Ų124.680%0.80474%0.739SS**  trans-14.2147.2149.3-110.4168.8-20.100117.2
456T38.8Very low46.3Very low108 Ų108121.4 Ų121.466%0.66372%0.724SS**  cis-158.3143.719.1-44.30000111.4
457D41.3Very low48.1Very low156 Ų156118.2 Ų118.283%0.83471%0.708SS**  trans163.2145.2135.3-87-15.3000111
458A42.1Very low49.9Very low102 Ų102118.9 Ų118.984%0.84370%0.698SS**  trans-109.1119.5-162.700000114.4
459P47Very low51.6Low108 Ų108115.8 Ų115.870%0.70168%0.683SS**  trans-77.8158.5171-13.129.9000113.2A461P459-A461 VanDerWaalsContact C-N 3.34Å; P459-A461 PolarHBondContact O-N 3.46Å
460P48.3Very low53.5Low106 Ų106114.9 Ų114.969%0.68867%0.674SS**SBendtrans-77-1.7-165.329.4-36.6000117.4L462 K463P460-L462 PolarHBondContact O-N 2.83Å; P460-K463 PolarHBondContact O-N 3.5Å
461A51.5Low55.5Low66 Ų66115.2 Ų115.255%0.54566%0.664SS.*THydrogen-bonded Turntrans-65.72.7-162.900000117.6P459P459-A461 VanDerWaalsContact C-N 3.34Å; P459-A461 PolarHBondContact O-N 3.46Å
462L51.1Low57.7Low122 Ų122115.3 Ų115.364%0.63965%0.652SS**Hα-helixtrans-86.7-36.8179.4-136.3164.3000111.8P460 D464 K465 E466P460-L462 PolarHBondContact O-N 2.83Å; L462-D464 VanDerWaalsContact C-N 3.31Å; L462-D464 PolarHBondContact O-N 3.21Å; L462-K465 PolarHBondContact O-N 3.43Å; L462-E466 HydrophobicContact CD2-CG 4.36Å; L462-E466 PolarHBondContact O-N 3.28Å
463K54.8Low59.9Low160 Ų160112.9 Ų112.970%0.69664%0.638SS**Hα-helixtrans-63.9-36.3178.9-74.8-171.7173.3-174.80112.7P460 K465 E466 A467P460-K463 PolarHBondContact O-N 3.5Å; K463-K465 VanDerWaalsContact C-N 3.29Å; K463-K465 PolarHBondContact O-N 3.17Å; K463-E466 PolarHBondContact O-N 3.08Å; K463-A467 WeakPolarHBondContact O-CB 3.37Å; K463-A467 PolarHBondContact O-N 3.48Å
464D64.9Low61.9Low100 Ų100110.2 Ų110.254%0.53562%0.623SS.*Hα-helixtrans-67-33.4-178.2-52.5-39000111.4L462 Q468L462-D464 VanDerWaalsContact C-N 3.31Å; L462-D464 PolarHBondContact O-N 3.21Å; D464-Q468 WeakPolarHBondContact O-CG 3.44Å; D464-Q468 PolarHBondContact O-N 3.22Å
465K71.9Confident64.2Low151 Ų151107.7 Ų107.766%0.65761%0.605SS**Hα-helixtrans-72.7-38.7174.1-70.2-168.3174.3-171.60112.9L462 K463 A467 Q468 A469L462-K465 PolarHBondContact O-N 3.43Å; K463-K465 VanDerWaalsContact C-N 3.29Å; K463-K465 PolarHBondContact O-N 3.17Å; K465-A467 VanDerWaalsContact C-N 3.33Å; K465-Q468 PolarHBondContact O-N 3.16Å; K465-A469 WeakPolarHBondContact O-CB 3.45Å; K465-A469 PolarHBondContact O-N 3.39Å
466E74.4Confident66.2Low113 Ų113105.5 Ų105.553%0.52860%0.595SS.*Hα-helixtrans-64.8-39.3172.8-68.2-177.6152.800111.2L462 K463 A469 Q470L462-E466 HydrophobicContact CD2-CG 4.36Å; L462-E466 PolarHBondContact O-N 3.28Å; K463-E466 PolarHBondContact O-N 3.08Å; E466-A469 PolarHBondContact O-N 2.98Å; E466-Q470 WeakPolarHBondContact O-CB 3.2Å; E466-Q470 VanDerWaalsContact O-CG 3.28Å; E466-Q470 WeakPolarHBondContact O-CG 3.48Å; E466-Q470 PolarHBondContact O-N 3.47Å
467A75.7Confident68.3Low54 Ų54103.1 Ų103.145%0.44659%0.585SS.*Hα-helixtrans-65.4-44.2174.800000112.6K463 K465 Q470 Q471K463-A467 WeakPolarHBondContact O-CB 3.37Å; K463-A467 PolarHBondContact O-N 3.48Å; K465-A467 VanDerWaalsContact C-N 3.33Å; A467-Q470 PolarHBondContact O-N 2.89Å; A467-Q471 WeakPolarHBondContact O-CB 3.47Å; A467-Q471 PolarHBondContact O-N 2.84Å
468Q76.8Confident70.3Confident127 Ų127101.3 Ų101.359%0.59357%0.573SS**Hα-helixtrans-61.6-45.4174.5-77.8-174.8-51.500112D464 K465 Q470 Q471 E472D464-Q468 WeakPolarHBondContact O-CG 3.44Å; D464-Q468 PolarHBondContact O-N 3.22Å; K465-Q468 PolarHBondContact O-N 3.16Å; Q468-Q470 VanDerWaalsContact C-N 3.3Å; Q468-Q470 PolarHBondContact O-N 3.09Å; Q468-Q471 PolarHBondContact O-N 3.45Å; Q468-Q471 VanDerWaalsContact O-N 3.15Å; Q468-E472 PolarHBondContact O-N 2.66Å
469A78.5Confident72Confident58 Ų58102.5 Ų102.548%0.47956%0.562SS.*Hα-helixtrans-63.5-34.6177.600000112.8K465 E466 A473K465-A469 WeakPolarHBondContact O-CB 3.45Å; K465-A469 PolarHBondContact O-N 3.39Å; E466-A469 PolarHBondContact O-N 2.98Å; A469-A473 WeakPolarHBondContact O-CB 3.47Å; A469-A473 PolarHBondContact O-N 3Å; A469-A473 VanDerWaalsContact O-N 3.13Å
470Q78.7Confident73.5Confident142 Ų142101.5 Ų101.566%0.66455%0.554SS**Hα-helixtrans-69.5-37.4173-74.2175.212.200112.3E466 A467 Q468 A474E466-Q470 WeakPolarHBondContact O-CB 3.2Å; E466-Q470 VanDerWaalsContact O-CG 3.28Å; E466-Q470 WeakPolarHBondContact O-CG 3.48Å; E466-Q470 PolarHBondContact O-N 3.47Å; A467-Q470 PolarHBondContact O-N 2.89Å; Q468-Q470 VanDerWaalsContact C-N 3.3Å; Q468-Q470 PolarHBondContact O-N 3.09Å; Q470-A474 WeakPolarHBondContact O-CB 3.36Å; Q470-A474 PolarHBondContact O-N 2.94Å
471Q80.3Confident75.1Confident111 Ų11199 Ų9952%0.51954%0.538SS..Hα-helixtrans-67-47.9175.9-17262.448.300111.6A467 Q468 A473 A474 D475A467-Q471 WeakPolarHBondContact O-CB 3.47Å; A467-Q471 PolarHBondContact O-N 2.84Å; Q468-Q471 PolarHBondContact O-N 3.45Å; Q468-Q471 VanDerWaalsContact O-N 3.15Å; Q471-A473 VanDerWaalsContact C-N 3.3Å; Q471-A473 PolarHBondContact O-N 3.43Å; Q471-A474 WeakPolarHBondContact O-CB 3.41Å; Q471-A474 PolarHBondContact O-N 3.41Å; Q471-A474 VanDerWaalsContact O-N 3.09Å; Q471-D475 PolarHBondContact NE2-OD1 2.77Å; Q471-D475 VanDerWaalsContact NE2-OD1 3.16Å; Q471-D475 PolarHBondContact NE2-OD2 3.44Å; Q471-D475 PolarHBondContact O-N 3.41Å
472E81.1Confident76.7Confident128 Ų12899.9 Ų99.960%0.59854%0.537SS*.Hα-helixtrans-59.9-39.4176.3-71.6-178.5174.500112.1Q468 D475 Q476Q468-E472 PolarHBondContact O-N 2.66Å; E472-D475 PolarHBondContact O-N 3.16Å; E472-Q476 WeakPolarHBondContact O-CB 3.41Å; E472-Q476 WeakPolarHBondContact O-CG 3.38Å; E472-Q476 PolarHBondContact O-N 3.2Å
473A83.3Confident77.9Confident59 Ų5998.9 Ų98.949%0.48853%0.531SS..Hα-helixtrans-66.5-37.4174.500000112.7A469 Q471 A477A469-A473 WeakPolarHBondContact O-CB 3.47Å; A469-A473 PolarHBondContact O-N 3Å; A469-A473 VanDerWaalsContact O-N 3.13Å; Q471-A473 VanDerWaalsContact C-N 3.3Å; Q471-A473 PolarHBondContact O-N 3.43Å; A473-A477 WeakPolarHBondContact O-CB 3.37Å; A473-A477 PolarHBondContact O-N 3.34Å
474A83.6Confident79.2Confident50 Ų5097 Ų9741%0.41353%0.525SS..Hα-helixtrans-67.4-41.6175.200000112Q470 Q471 A477 M478Q470-A474 WeakPolarHBondContact O-CB 3.36Å; Q470-A474 PolarHBondContact O-N 2.94Å; Q471-A474 WeakPolarHBondContact O-CB 3.41Å; Q471-A474 PolarHBondContact O-N 3.41Å; Q471-A474 VanDerWaalsContact O-N 3.09Å; A474-A477 PolarHBondContact O-N 2.81Å; A474-M478 PolarHBondContact O-N 3.41Å
475D83.7Confident80Confident68 Ų6898.7 Ų98.736%0.36453%0.53SS..Hα-helixtrans-68.7-38.6178.9-66.5-27.5000111.5Q471 E472 M478 Q479Q471-D475 PolarHBondContact NE2-OD1 2.77Å; Q471-D475 VanDerWaalsContact NE2-OD1 3.16Å; Q471-D475 PolarHBondContact NE2-OD2 3.44Å; Q471-D475 PolarHBondContact O-N 3.41Å; E472-D475 PolarHBondContact O-N 3.16Å; D475-M478 PolarHBondContact O-N 3.06Å; D475-Q479 WeakPolarHBondContact O-CG 3.5Å; D475-Q479 PolarHBondContact O-N 3.29Å
476Q82.8Confident80.4Confident127 Ų12794.7 Ų94.759%0.59352%0.521SS*.Hα-helixtrans-64.6-40.2170.7-73.1-178.822.400112.5E472 M478 Q479 T480E472-Q476 WeakPolarHBondContact O-CB 3.41Å; E472-Q476 WeakPolarHBondContact O-CG 3.38Å; E472-Q476 PolarHBondContact O-N 3.2Å; Q476-M478 VanDerWaalsContact C-N 3.33Å; Q476-Q479 PolarHBondContact O-N 2.87Å; Q476-T480 WeakPolarHBondContact O-CB 3.49Å; Q476-T480 WeakPolarHBondContact O-CG2 3.49Å; Q476-T480 PolarHBondContact O-N 3.43Å; Q476-T480 PolarHBondContact O-OG1 3.08Å
477A83.5Confident80.7Confident57 Ų5793.6 Ų93.647%0.47152%0.519SS..Hα-helixtrans-63.8-38.617400000111.8A473 A474 T480 S481A473-A477 WeakPolarHBondContact O-CB 3.37Å; A473-A477 PolarHBondContact O-N 3.34Å; A474-A477 PolarHBondContact O-N 2.81Å; A477-T480 WeakPolarHBondContact CA-OG1 3.22Å; A477-T480 PolarHBondContact O-OG1 3.42Å; A477-T480 VanDerWaalsContact O-OG1 3.11Å; A477-S481 WeakPolarHBondContact O-CB 3.28Å; A477-S481 PolarHBondContact O-N 3.01Å; A477-S481 PolarHBondContact O-OG 3.31Å
478M82.9Confident81Confident118 Ų11896.3 Ų96.358%0.58152%0.522SS*.Hα-helixtrans-65.5-50.9175.3-167.4173.571.500111.1A474 D475 Q476 T480 S481 V482A474-M478 PolarHBondContact O-N 3.41Å; D475-M478 PolarHBondContact O-N 3.06Å; Q476-M478 VanDerWaalsContact C-N 3.33Å; M478-T480 PolarHBondContact O-N 2.97Å; M478-S481 PolarHBondContact O-N 3.27Å; M478-S481 PolarHBondContact O-OG 3.45Å; M478-V482 WeakPolarHBondContact O-CG2 3.5Å; M478-V482 PolarHBondContact O-N 2.97Å
479Q76.6Confident81.3Confident128 Ų12892.9 Ų92.960%0.59852%0.515SS*.Hα-helixtrans-58.7-45.2179.1-72.4-177.415.500112.4D475 Q476 S481 V482 I483D475-Q479 WeakPolarHBondContact O-CG 3.5Å; D475-Q479 PolarHBondContact O-N 3.29Å; Q476-Q479 PolarHBondContact O-N 2.87Å; Q479-S481 PolarHBondContact O-N 3.07Å; Q479-V482 PolarHBondContact O-N 2.99Å; Q479-I483 WeakPolarHBondContact O-CG1 3.11Å; Q479-I483 PolarHBondContact O-N 2.9Å
480T80Confident81.4Confident87 Ų8793.2 Ų93.253%0.53451%0.511SS..Hα-helixtrans-64.5-37.7177.249.60000112.3Q476 A477 M478 I483 Q484Q476-T480 WeakPolarHBondContact O-CB 3.49Å; Q476-T480 WeakPolarHBondContact O-CG2 3.49Å; Q476-T480 PolarHBondContact O-N 3.43Å; Q476-T480 PolarHBondContact O-OG1 3.08Å; A477-T480 WeakPolarHBondContact CA-OG1 3.22Å; A477-T480 PolarHBondContact O-OG1 3.42Å; A477-T480 VanDerWaalsContact O-OG1 3.11Å; M478-T480 PolarHBondContact O-N 2.97Å; T480-I483 PolarHBondContact O-N 3.19Å; T480-Q484 WeakPolarHBondContact O-CB 3.32Å; T480-Q484 PolarHBondContact O-N 2.66Å
481S81.9Confident81.5Confident52 Ų5291.1 Ų91.136%0.36450%0.504SS..Hα-helixtrans-65.1-38.5174.778.10000113.3A477 M478 Q479 Q484 Q485A477-S481 WeakPolarHBondContact O-CB 3.28Å; A477-S481 PolarHBondContact O-N 3.01Å; A477-S481 PolarHBondContact O-OG 3.31Å; M478-S481 PolarHBondContact O-N 3.27Å; M478-S481 PolarHBondContact O-OG 3.45Å; Q479-S481 PolarHBondContact O-N 3.07Å; S481-Q484 PolarHBondContact O-N 2.86Å; S481-Q485 PolarHBondContact O-N 3.31Å
482V83.6Confident81.8Confident86 Ų8690.1 Ų90.152%0.52151%0.506SS..Hα-helixtrans-68.5-43177.8171.60000111M478 Q479 Q484 Q485 S486M478-V482 WeakPolarHBondContact O-CG2 3.5Å; M478-V482 PolarHBondContact O-N 2.97Å; Q479-V482 PolarHBondContact O-N 2.99Å; V482-Q484 VanDerWaalsContact C-N 3.3Å; V482-Q484 PolarHBondContact O-N 3.25Å; V482-Q485 PolarHBondContact O-N 3.2Å; V482-S486 WeakPolarHBondContact O-CB 3.46Å; V482-S486 PolarHBondContact O-N 3.45Å
483I76.8Confident82Confident100 Ų10090 Ų9051%0.51351%0.505SS..Hα-helixtrans-61.7-41173.6-67.7165.8000110.4Q479 T480 S486 N487Q479-I483 WeakPolarHBondContact O-CG1 3.11Å; Q479-I483 PolarHBondContact O-N 2.9Å; T480-I483 PolarHBondContact O-N 3.19Å; I483-S486 PolarHBondContact O-N 2.94Å; I483-N487 WeakPolarHBondContact O-CB 3.34Å; I483-N487 VanDerWaalsContact O-CG 3.23Å; I483-N487 PolarHBondContact O-N 3.38Å; I483-N487 PolarHBondContact O-ND2 3.03Å
484Q81.5Confident81.9Confident120 Ų12091.4 Ų91.456%0.56150%0.504SS*.Hα-helixtrans-65.2-43176.8-176.3174.1-20.800112.6T480 S481 V482 Q488T480-Q484 WeakPolarHBondContact O-CB 3.32Å; T480-Q484 PolarHBondContact O-N 2.66Å; S481-Q484 PolarHBondContact O-N 2.86Å; V482-Q484 VanDerWaalsContact C-N 3.3Å; V482-Q484 PolarHBondContact O-N 3.25Å; Q484-Q488 WeakPolarHBondContact O-CB 3.5Å; Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 3.36Å
485Q82.5Confident82Confident136 Ų13693.8 Ų93.864%0.63651%0.509SS*.Hα-helixtrans-64.2-44175.4-77-172.9-6.800112.2S481 V482 Q488 A489S481-Q485 PolarHBondContact O-N 3.31Å; V482-Q485 PolarHBondContact O-N 3.2Å; Q485-Q488 PolarHBondContact O-N 3.09Å; Q485-A489 PolarHBondContact O-N 2.94Å
486S79.5Confident82.1Confident68 Ų6895.8 Ų95.848%0.47652%0.52SS..Hα-helixtrans-58-51.1176.2-174.70000111.2V482 I483 Q488 A489 T490V482-S486 WeakPolarHBondContact O-CB 3.46Å; V482-S486 PolarHBondContact O-N 3.45Å; I483-S486 PolarHBondContact O-N 2.94Å; S486-Q488 VanDerWaalsContact C-N 3.34Å; S486-Q488 PolarHBondContact O-N 3.46Å; S486-A489 PolarHBondContact O-N 2.95Å; S486-T490 PolarHBondContact O-N 3.33Å; S486-T490 PolarHBondContact O-OG1 3.18Å; S486-T490 VanDerWaalsContact O-OG1 3.14Å
487N81.1Confident81.9Confident90 Ų9094.3 Ų94.348%0.48151%0.514SS..Hα-helixtrans-60.6-39.9176.8-72.2-28000112.5I483 I491I483-N487 WeakPolarHBondContact O-CB 3.34Å; I483-N487 VanDerWaalsContact O-CG 3.23Å; I483-N487 PolarHBondContact O-N 3.38Å; I483-N487 PolarHBondContact O-ND2 3.03Å; N487-I491 WeakPolarHBondContact O-CB 3.48Å; N487-I491 WeakPolarHBondContact O-CD1 3.39Å; N487-I491 WeakPolarHBondContact O-CG1 3.26Å; N487-I491 PolarHBondContact O-N 2.9Å
488Q83.1Confident81.9Confident110 Ų11095.5 Ų95.551%0.51452%0.515SS..Hα-helixtrans-63.5-43.9175.5-79.6-177.1-21.900112.1Q484 Q485 S486 I491 T492Q484-Q488 WeakPolarHBondContact O-CB 3.5Å; Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 3.36Å; Q485-Q488 PolarHBondContact O-N 3.09Å; S486-Q488 VanDerWaalsContact C-N 3.34Å; S486-Q488 PolarHBondContact O-N 3.46Å; Q488-I491 PolarHBondContact O-N 3.32Å; Q488-T492 PolarHBondContact O-N 3.35Å; Q488-T492 PolarHBondContact O-OG1 3.45Å; Q488-T492 VanDerWaalsContact O-OG1 3.11Å
489A83.1Confident82Confident55 Ų5595.3 Ų95.346%0.45551%0.513SS..Hα-helixtrans-60.3-47.9177.300000111.7Q485 S486 I491 T492 E493Q485-A489 PolarHBondContact O-N 2.94Å; S486-A489 PolarHBondContact O-N 2.95Å; A489-I491 VanDerWaalsContact C-N 3.32Å; A489-I491 PolarHBondContact O-N 3.02Å; A489-T492 WeakPolarHBondContact CA-OG1 3.46Å; A489-T492 PolarHBondContact O-N 3.09Å; A489-T492 PolarHBondContact O-OG1 2.84Å; A489-E493 PolarHBondContact O-N 3.25Å
490T79.8Confident82.3Confident65 Ų6595.3 Ų95.340%0.39951%0.513SS..Hα-helixtrans-60.7-38.8175.9-50.10000112.2S486 E493 L494S486-T490 PolarHBondContact O-N 3.33Å; S486-T490 PolarHBondContact O-OG1 3.18Å; S486-T490 VanDerWaalsContact O-OG1 3.14Å; T490-E493 PolarHBondContact O-N 3.21Å; T490-L494 HydrophobicContact CG2-CD1 4.12Å; T490-L494 WeakPolarHBondContact O-CB 3.27Å; T490-L494 VanDerWaalsContact O-CG 3.26Å; T490-L494 WeakPolarHBondContact O-CG 3.49Å; T490-L494 PolarHBondContact O-N 2.94Å
491I81.9Confident82.1Confident99 Ų9997.5 Ų97.551%0.50852%0.517SS..Hα-helixtrans-66-41.4176.8-71.6164.8000111.4N487 Q488 A489 L495N487-I491 WeakPolarHBondContact O-CB 3.48Å; N487-I491 WeakPolarHBondContact O-CD1 3.39Å; N487-I491 WeakPolarHBondContact O-CG1 3.26Å; N487-I491 PolarHBondContact O-N 2.9Å; Q488-I491 PolarHBondContact O-N 3.32Å; A489-I491 VanDerWaalsContact C-N 3.32Å; A489-I491 PolarHBondContact O-N 3.02Å; I491-L495 HydrophobicContact CG2-CD1 4.16Å; I491-L495 WeakPolarHBondContact O-CB 3.36Å; I491-L495 PolarHBondContact O-N 3.23Å
492T86Confident82.1Confident90 Ų9099.2 Ų99.255%0.55252%0.521SS*.Hα-helixtrans-66.9-37.1175.240.10000113.1Q488 A489 L495 N496Q488-T492 PolarHBondContact O-N 3.35Å; Q488-T492 PolarHBondContact O-OG1 3.45Å; Q488-T492 VanDerWaalsContact O-OG1 3.11Å; A489-T492 WeakPolarHBondContact CA-OG1 3.46Å; A489-T492 PolarHBondContact O-N 3.09Å; A489-T492 PolarHBondContact O-OG1 2.84Å; T492-L495 PolarHBondContact O-N 3.13Å; T492-N496 WeakPolarHBondContact O-CB 3.32Å; T492-N496 PolarHBondContact O-N 3.3Å
493E84.4Confident82Confident125 Ų125100.4 Ų100.458%0.58452%0.521SS*.Hα-helixtrans-66.4-44.1176.5-169.8178.2-161.900111.7A489 T490 N496 M497A489-E493 PolarHBondContact O-N 3.25Å; T490-E493 PolarHBondContact O-N 3.21Å; E493-N496 PolarHBondContact O-N 2.98Å; E493-M497 HydrophobicContact CG-CE 4.36Å; E493-M497 PolarHBondContact O-N 3Å
494L81.5Confident81.9Confident89 Ų8998.7 Ų98.747%0.46652%0.515SS..Hα-helixtrans-61.1-42.7173.5-72.4169.7000112.3T490 N496 M497 V498T490-L494 HydrophobicContact CG2-CD1 4.12Å; T490-L494 WeakPolarHBondContact O-CB 3.27Å; T490-L494 VanDerWaalsContact O-CG 3.26Å; T490-L494 WeakPolarHBondContact O-CG 3.49Å; T490-L494 PolarHBondContact O-N 2.94Å; L494-N496 VanDerWaalsContact C-N 3.35Å; L494-M497 HydrophobicContact CD2-CE 4Å; L494-M497 PolarHBondContact O-N 3.33Å; L494-V498 WeakPolarHBondContact O-CG2 3.38Å; L494-V498 PolarHBondContact O-N 3.38Å
495L85.1Confident81.6Confident99 Ų9997 Ų9752%0.51851%0.509SS..Hα-helixtrans-62.2-41.1175.3-86.2167.3000112.2I491 T492 V498 Q499I491-L495 HydrophobicContact CG2-CD1 4.16Å; I491-L495 WeakPolarHBondContact O-CB 3.36Å; I491-L495 PolarHBondContact O-N 3.23Å; T492-L495 PolarHBondContact O-N 3.13Å; L495-V498 PolarHBondContact O-N 3.24Å; L495-Q499 PolarHBondContact O-N 3.37Å
496N86.8Confident81.4Confident110 Ų11093.8 Ų93.859%0.58850%0.497SS*.Hα-helixtrans-66.7-42.7-179.6-158.417.3000111.5T492 E493 L494 V498 Q499 Q500T492-N496 WeakPolarHBondContact O-CB 3.32Å; T492-N496 PolarHBondContact O-N 3.3Å; E493-N496 PolarHBondContact O-N 2.98Å; L494-N496 VanDerWaalsContact C-N 3.35Å; N496-V498 PolarHBondContact O-N 2.94Å; N496-Q499 PolarHBondContact O-N 3.16Å; N496-Q500 WeakPolarHBondContact O-CB 3.34Å; N496-Q500 PolarHBondContact O-N 2.9Å
497M78.8Confident81.2Confident96 Ų9698.6 Ų98.647%0.47350%0.504SS..Hα-helixtrans-59.8-42.7171.5-78-170.9-7600112.4E493 L494 Q500 E501E493-M497 HydrophobicContact CG-CE 4.36Å; E493-M497 PolarHBondContact O-N 3Å; L494-M497 HydrophobicContact CD2-CE 4Å; L494-M497 PolarHBondContact O-N 3.33Å; M497-Q500 WeakPolarHBondContact O-CB 3.04Å; M497-Q500 PolarHBondContact O-N 3.12Å; M497-E501 PolarHBondContact O-N 2.85Å
498V82.3Confident80.6Confident82 Ų8299.9 Ų99.950%0.49751%0.511SS..Hα-helixtrans-66-38.9177.4170.20000111.6L494 L495 N496 Q500 E501 I502L494-V498 WeakPolarHBondContact O-CG2 3.38Å; L494-V498 PolarHBondContact O-N 3.38Å; L495-V498 PolarHBondContact O-N 3.24Å; N496-V498 PolarHBondContact O-N 2.94Å; V498-Q500 VanDerWaalsContact C-N 3.32Å; V498-Q500 PolarHBondContact O-N 2.61Å; V498-E501 PolarHBondContact O-N 3.15Å; V498-I502 HydrophobicContact CG1-CD1 3.93Å; V498-I502 VanDerWaalsContact O-CG1 3.28Å; V498-I502 WeakPolarHBondContact O-CG1 3.44Å; V498-I502 PolarHBondContact O-N 3.1Å
499Q85.4Confident79.9Confident115 Ų115100.2 Ų100.254%0.53751%0.51SS..Hα-helixtrans-64.3-36.5172.3-74.7-167.6-103.400112.2L495 N496 I502 Q503L495-Q499 PolarHBondContact O-N 3.37Å; N496-Q499 PolarHBondContact O-N 3.16Å; Q499-I502 PolarHBondContact O-N 3.13Å; Q499-Q503 WeakPolarHBondContact O-CG 3.45Å; Q499-Q503 PolarHBondContact O-N 3.35Å
500Q84.5Confident79.3Confident128 Ų128104.1 Ų104.160%0.59852%0.519SS*.Hα-helixtrans-66.8-41.7176.6-167.5173.94.100112N496 M497 V498 Q503 T504N496-Q500 WeakPolarHBondContact O-CB 3.34Å; N496-Q500 PolarHBondContact O-N 2.9Å; M497-Q500 WeakPolarHBondContact O-CB 3.04Å; M497-Q500 PolarHBondContact O-N 3.12Å; V498-Q500 VanDerWaalsContact C-N 3.32Å; V498-Q500 PolarHBondContact O-N 2.61Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q500-T504 PolarHBondContact O-N 3.36Å; Q500-T504 PolarHBondContact O-OG1 3.27Å
501E74.8Confident78.5Confident132 Ų132109.2 Ų109.262%0.61754%0.536SS*.Hα-helixtrans-63.7-39.7172.4-73.1-117.5130.400112.6M497 V498 T504 I505M497-E501 PolarHBondContact O-N 2.85Å; V498-E501 PolarHBondContact O-N 3.15Å; E501-T504 WeakPolarHBondContact CA-OG1 3.46Å; E501-T504 PolarHBondContact O-N 2.69Å; E501-T504 PolarHBondContact O-OG1 3.27Å; E501-I505 WeakPolarHBondContact O-CB 3.33Å; E501-I505 WeakPolarHBondContact O-CD1 3.2Å; E501-I505 VanDerWaalsContact O-CG1 3.23Å; E501-I505 WeakPolarHBondContact O-CG1 3.35Å; E501-I505 PolarHBondContact O-N 3.31Å
502I82.1Confident76.6Confident88 Ų88113.2 Ų113.245%0.45155%0.546SS..Hα-helixtrans-63.5-43.2175.4-69.1164.8000110.4V498 Q499 T504 I505 D506V498-I502 HydrophobicContact CG1-CD1 3.93Å; V498-I502 VanDerWaalsContact O-CG1 3.28Å; V498-I502 WeakPolarHBondContact O-CG1 3.44Å; V498-I502 PolarHBondContact O-N 3.1Å; Q499-I502 PolarHBondContact O-N 3.13Å; I502-T504 PolarHBondContact O-N 3Å; I502-I505 PolarHBondContact O-N 3.32Å; I502-D506 PolarHBondContact O-N 2.92Å
503Q80.6Confident74.9Confident111 Ų111113 Ų11352%0.51955%0.545SS..Hα-helixtrans-65.9-34.9177.4-74.2-177.21400113.5Q499 Q500 R507Q499-Q503 WeakPolarHBondContact O-CG 3.45Å; Q499-Q503 PolarHBondContact O-N 3.35Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q503-R507 WeakPolarHBondContact O-CB 3.13Å; Q503-R507 WeakPolarHBondContact O-CG 3.14Å; Q503-R507 PolarHBondContact O-N 2.74Å; Q503-R507 VanDerWaalsContact O-N 3.12Å
504T74.9Confident73.3Confident64 Ų64113 Ų11339%0.39355%0.548SS..Hα-helixtrans-71.8-38.8173.754.60000111.5Q500 E501 I502 R507 L508Q500-T504 PolarHBondContact O-N 3.36Å; Q500-T504 PolarHBondContact O-OG1 3.27Å; E501-T504 WeakPolarHBondContact CA-OG1 3.46Å; E501-T504 PolarHBondContact O-N 2.69Å; E501-T504 PolarHBondContact O-OG1 3.27Å; I502-T504 PolarHBondContact O-N 3Å; T504-R507 PolarHBondContact O-N 3.12Å; T504-L508 WeakPolarHBondContact O-CB 3.33Å; T504-L508 VanDerWaalsContact O-CG 3.25Å; T504-L508 WeakPolarHBondContact O-CG 3.49Å; T504-L508 PolarHBondContact O-N 3.22Å
505I76.3Confident71.5Confident84 Ų84113 Ų11343%0.43156%0.556SS.*Hα-helixtrans-62.2-43.2174.6-72166.4000111.6E501 I502 L508 K509E501-I505 WeakPolarHBondContact O-CB 3.33Å; E501-I505 WeakPolarHBondContact O-CD1 3.2Å; E501-I505 VanDerWaalsContact O-CG1 3.23Å; E501-I505 WeakPolarHBondContact O-CG1 3.35Å; E501-I505 PolarHBondContact O-N 3.31Å; I502-I505 PolarHBondContact O-N 3.32Å; I505-L508 PolarHBondContact O-N 3.38Å; I505-K509 WeakPolarHBondContact O-CG 3.3Å; I505-K509 PolarHBondContact O-N 3.43Å
506D76.8Confident69.6Low70 Ų70111.6 Ų111.637%0.37455%0.554SS.*Hα-helixtrans-71.3-38.4179.6-75.5-23.8000112.5I502 L508 K509 E510I502-D506 PolarHBondContact O-N 2.92Å; D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.07Å; D506-K509 WeakPolarHBondContact O-CB 3.32Å; D506-K509 PolarHBondContact O-N 2.87Å; D506-K509 VanDerWaalsContact O-N 3.08Å; D506-K509 WeakPolarHBondContact OD1-CD 3.35Å; D506-K509 WeakPolarHBondContact OD1-CE 3.39Å; D506-K509 IonicContact OD1-NZ 3.13Å; D506-K509 PolarHBondContact OD1-NZ 3.07Å; D506-E510 PolarHBondContact O-N 2.86Å
507R75.6Confident67.5Low168 Ų168111.7 Ų111.763%0.63456%0.559SS**Hα-helixtrans-59.7-38.2169-75.5178-178.1179.43.9112.6Q503 T504 K509 E510 F511Q503-R507 WeakPolarHBondContact O-CB 3.13Å; Q503-R507 WeakPolarHBondContact O-CG 3.14Å; Q503-R507 PolarHBondContact O-N 2.74Å; Q503-R507 VanDerWaalsContact O-N 3.12Å; T504-R507 PolarHBondContact O-N 3.12Å; R507-K509 VanDerWaalsContact C-N 3.33Å; R507-E510 PolarHBondContact O-N 2.88Å; R507-F511 PolarHBondContact O-N 3.15Å; R507-F511 VanDerWaalsContact O-N 3.11Å
508L69.6Low65.7Low118 Ų118111.4 Ų111.462%0.61857%0.567SS**Hα-helixtrans-67.8-31.8175-74.3169.1000112.1T504 I505 D506 Y512T504-L508 WeakPolarHBondContact O-CB 3.33Å; T504-L508 VanDerWaalsContact O-CG 3.25Å; T504-L508 WeakPolarHBondContact O-CG 3.49Å; T504-L508 PolarHBondContact O-N 3.22Å; I505-L508 PolarHBondContact O-N 3.38Å; D506-L508 VanDerWaalsContact C-N 3.28Å; D506-L508 PolarHBondContact O-N 3.07Å; L508-Y512 WeakPolarHBondContact O-CB 3.47Å; L508-Y512 PolarHBondContact O-N 3.29Å; L508-Y512 VanDerWaalsContact O-N 3.12Å
509K68Low63.7Low116 Ų116113.8 Ų113.850%0.50458%0.581SS.*Hα-helixtrans-65.9-46.9171.3-69.3171.8-166.7157.50111.6I505 D506 R507 F511 Y512 V513I505-K509 WeakPolarHBondContact O-CG 3.3Å; I505-K509 PolarHBondContact O-N 3.43Å; D506-K509 WeakPolarHBondContact O-CB 3.32Å; D506-K509 PolarHBondContact O-N 2.87Å; D506-K509 VanDerWaalsContact O-N 3.08Å; D506-K509 WeakPolarHBondContact OD1-CD 3.35Å; D506-K509 WeakPolarHBondContact OD1-CE 3.39Å; D506-K509 IonicContact OD1-NZ 3.13Å; D506-K509 PolarHBondContact OD1-NZ 3.07Å; R507-K509 VanDerWaalsContact C-N 3.33Å; K509-F511 VanDerWaalsContact C-N 3.34Å; K509-F511 PolarHBondContact O-N 2.81Å; K509-Y512 CarbonylContact O-C 3.59Å; K509-Y512 PolarHBondContact O-N 3.46Å; K509-Y512 VanDerWaalsContact O-N 3.07Å; K509-V513 WeakPolarHBondContact O-CG2 3.4Å; K509-V513 PolarHBondContact O-N 2.86Å
510E70.3Confident61.7Low138 Ų138115.4 Ų115.465%0.64559%0.594SS**Hα-helixtrans-56.8-48.6177.9-69-179.8146.900110.9D506 R507 Y512 V513 D514D506-E510 PolarHBondContact O-N 2.86Å; R507-E510 PolarHBondContact O-N 2.88Å; E510-Y512 PolarHBondContact O-N 3.11Å; E510-V513 PolarHBondContact O-N 3.39Å; E510-V513 VanDerWaalsContact O-N 3.14Å; E510-D514 PolarHBondContact O-N 3.42Å; E510-D514 VanDerWaalsContact O-N 3.15Å
511F62Low60Low171 Ų171113.3 Ų113.375%0.7559%0.593SS**Hα-helixtrans-59.7-30.8175.9-124.7-85.6000113.9R507 K509R507-F511 PolarHBondContact O-N 3.15Å; R507-F511 VanDerWaalsContact O-N 3.11Å; K509-F511 VanDerWaalsContact C-N 3.34Å; K509-F511 PolarHBondContact O-N 2.81Å
512Y43.6Very low58.6Low183 Ų183113.6 Ų113.672%0.71860%0.598SS**Hα-helixtrans-83.2-31.5176.9-137.8-86.2000112.8L508 K509 E510 S515 S516L508-Y512 WeakPolarHBondContact O-CB 3.47Å; L508-Y512 PolarHBondContact O-N 3.29Å; L508-Y512 VanDerWaalsContact O-N 3.12Å; K509-Y512 CarbonylContact O-C 3.59Å; K509-Y512 PolarHBondContact O-N 3.46Å; K509-Y512 VanDerWaalsContact O-N 3.07Å; E510-Y512 PolarHBondContact O-N 3.11Å; Y512-S515 PolarHBondContact O-N 3.43Å; Y512-S516 VanDerWaalsContact O-CB 3.31Å; Y512-S516 WeakPolarHBondContact O-CB 3.39Å; Y512-S516 PolarHBondContact O-N 3.19Å
513V50.5Low56.9Low86 Ų86113.6 Ų113.652%0.52160%0.599SS.*Hα-helixtrans-66.1-48.2177.61660000110.5K509 E510 S515 S516K509-V513 WeakPolarHBondContact O-CG2 3.4Å; K509-V513 PolarHBondContact O-N 2.86Å; E510-V513 PolarHBondContact O-N 3.39Å; E510-V513 VanDerWaalsContact O-N 3.14Å; V513-S515 VanDerWaalsContact C-N 3.29Å; V513-S515 PolarHBondContact O-N 3.02Å; V513-S516 WeakPolarHBondContact O-CB 3.4Å; V513-S516 PolarHBondContact O-N 2.95Å; V513-S516 PolarHBondContact O-OG 3.44Å
514D50Low55Low124 Ų124117.1 Ų117.166%0.66361%0.609SS**Hα-helixtrans-59.7-41177.5-76.5-13.8000111.7E510 S516 T517E510-D514 PolarHBondContact O-N 3.42Å; E510-D514 VanDerWaalsContact O-N 3.15Å; D514-S516 VanDerWaalsContact C-N 3.3Å; D514-S516 PolarHBondContact O-N 3.08Å; D514-T517 PolarHBondContact O-OG1 3.49Å
515S44.2Very low53.7Low90 Ų90118.7 Ų118.763%0.62962%0.618SS**Hα-helixtrans-64.6-30.9174.5-162.90000113.3Y512 V513 T517Y512-S515 PolarHBondContact O-N 3.43Å; V513-S515 VanDerWaalsContact C-N 3.29Å; V513-S515 PolarHBondContact O-N 3.02Å; S515-T517 VanDerWaalsContact C-N 3.31Å; S515-T517 PolarHBondContact O-N 2.89Å
516S44.4Very low52.3Low69 Ų69119.2 Ų119.248%0.48362%0.622SS.*Hα-helixtrans-77.8-7.7-174.675.10000115.4Y512 V513 D514 S518Y512-S516 VanDerWaalsContact O-CB 3.31Å; Y512-S516 WeakPolarHBondContact O-CB 3.39Å; Y512-S516 PolarHBondContact O-N 3.19Å; V513-S516 WeakPolarHBondContact O-CB 3.4Å; V513-S516 PolarHBondContact O-N 2.95Å; V513-S516 PolarHBondContact O-OG 3.44Å; D514-S516 VanDerWaalsContact C-N 3.3Å; D514-S516 PolarHBondContact O-N 3.08Å; S516-S518 PolarHBondContact O-N 2.9Å
517T43.2Very low50.9Low113 Ų113123 Ų12369%0.69363%0.631SS**THydrogen-bonded Turntrans-70.4-8.7179.356.80000114.1D514 S515 T519D514-T517 PolarHBondContact O-OG1 3.49Å; S515-T517 VanDerWaalsContact C-N 3.31Å; S515-T517 PolarHBondContact O-N 2.89Å; T517-T519 PolarHBondContact O-N 3.08Å
518S41.7Very low49.3Very low89 Ų89117.9 Ų117.962%0.62263%0.625SS**SBendtrans-83.2102169.1-168.20000111.5S516 D520S516-S518 PolarHBondContact O-N 2.9Å; S518-D520 PolarHBondContact O-N 2.92Å
519T40Very low48.3Very low132 Ų132116.3 Ų116.381%0.8162%0.62SS**THydrogen-bonded Turntrans-7583.1-17454.90000113.6T517T517-T519 PolarHBondContact O-N 3.08Å
520D43.2Very low47.2Very low150 Ų150117 Ų11780%0.80263%0.625SS**THydrogen-bonded Turntrans-154.1-16.2167.7-110-29000115.6S518S518-D520 PolarHBondContact O-N 2.92Å
521S49.1Very low45.9Very low83 Ų83117 Ų11758%0.5863%0.627SS**SBendtrans-81.9-25.6-165.857.10000116.3D523 Y524S521-D523 PolarHBondContact O-N 3.09Å; S521-Y524 PolarHBondContact O-N 3.35Å
522L44.5Very low45Very low138 Ų138115.2 Ų115.272%0.72362%0.621SS**Hα-helixtrans-73-24.3-165.2-157.271.9000114.7Y524 N526L522-Y524 VanDerWaalsContact C-N 3.32Å; L522-N526 PolarHBondContact O-ND2 2.96Å; L522-N526 VanDerWaalsContact O-ND2 3.16Å
523D46.9Very low45.1Very low88 Ų88112.6 Ų112.647%0.47162%0.615SS.*Hα-helixtrans-79.9-15.9179.2-159.255.7000112.7S521 R527S521-D523 PolarHBondContact O-N 3.09Å; D523-R527 WeakPolarHBondContact O-CG 3.12Å; D523-R527 IonicContact OD2-CZ 3.82Å; D523-R527 IonicContact OD2-NE 2.65Å; D523-R527 PolarHBondContact OD2-NE 3.29Å; D523-R527 IonicContact OD2-NH2 2.97Å; D523-R527 PolarHBondContact OD2-NH2 3.49Å
524Y41.1Very low44.7Very low185 Ų185112.8 Ų112.873%0.72562%0.616SS**Hα-helixtrans-74.6-42.4-179.9-130.9-93000112.3S521 L522 N526 R527 A528S521-Y524 PolarHBondContact O-N 3.35Å; L522-Y524 VanDerWaalsContact C-N 3.32Å; Y524-N526 PolarHBondContact O-N 2.92Å; Y524-R527 PolarHBondContact O-N 3.49Å; Y524-A528 PolarHBondContact O-N 2.81Å; Y524-A528 VanDerWaalsContact O-N 3.08Å
525V47.6Very low44.2Very low97 Ų97110.2 Ų110.259%0.58861%0.613SS**Hα-helixtrans-62.9-45-179.6-177.90000111R527 A528 T529V525-R527 VanDerWaalsContact C-N 3.27Å; V525-R527 PolarHBondContact O-N 3.41Å; V525-A528 WeakPolarHBondContact O-CB 3.38Å; V525-A528 PolarHBondContact O-N 3.03Å; V525-A528 VanDerWaalsContact O-N 3.15Å; V525-T529 PolarHBondContact O-N 2.97Å; V525-T529 PolarHBondContact O-OG1 3.27Å
526N46.9Very low44.1Very low95 Ų95113 Ų11351%0.50861%0.613SS.*Hα-helixtrans-62.4-31.2179-76.5-65.1000113.2L522 Y524 Q530L522-N526 PolarHBondContact O-ND2 2.96Å; L522-N526 VanDerWaalsContact O-ND2 3.16Å; Y524-N526 PolarHBondContact O-N 2.92Å; N526-Q530 PolarHBondContact O-N 3.09Å
527R45.9Very low43.9Very low149 Ų149113 Ų11356%0.56261%0.611SS**Hα-helixtrans-76.5-36.6174.5-66.6178-166.2-161.55.8112.3D523 Y524 V525 T529 Q530 M531D523-R527 WeakPolarHBondContact O-CG 3.12Å; D523-R527 IonicContact OD2-CZ 3.82Å; D523-R527 IonicContact OD2-NE 2.65Å; D523-R527 PolarHBondContact OD2-NE 3.29Å; D523-R527 IonicContact OD2-NH2 2.97Å; D523-R527 PolarHBondContact OD2-NH2 3.49Å; Y524-R527 PolarHBondContact O-N 3.49Å; V525-R527 VanDerWaalsContact C-N 3.27Å; V525-R527 PolarHBondContact O-N 3.41Å; R527-T529 VanDerWaalsContact C-N 3.35Å; R527-T529 PolarHBondContact O-N 3.26Å; R527-Q530 PolarHBondContact O-N 3.41Å; R527-M531 PolarHBondContact O-N 2.88Å
528A43Very low43.5Very low61 Ų61113.4 Ų113.450%0.50461%0.608SS.*Hα-helixtrans-60.1-43.5175.800000111.8Y524 V525 Q530 M531 Q532Y524-A528 PolarHBondContact O-N 2.81Å; Y524-A528 VanDerWaalsContact O-N 3.08Å; V525-A528 WeakPolarHBondContact O-CB 3.38Å; V525-A528 PolarHBondContact O-N 3.03Å; V525-A528 VanDerWaalsContact O-N 3.15Å; A528-Q530 PolarHBondContact O-N 3.49Å; A528-M531 PolarHBondContact O-N 3.21Å; A528-Q532 PolarHBondContact O-N 2.96Å
529T49Very low43.2Very low85 Ų85113.1 Ų113.152%0.52161%0.611SS.*Hα-helixtrans-61.9-41.9175.8-41.70000112V525 R527 Q532 E533V525-T529 PolarHBondContact O-N 2.97Å; V525-T529 PolarHBondContact O-OG1 3.27Å; R527-T529 VanDerWaalsContact C-N 3.35Å; R527-T529 PolarHBondContact O-N 3.26Å; T529-Q532 PolarHBondContact O-N 3.24Å; T529-E533 PolarHBondContact O-N 2.99Å
530Q44.9Very low43Very low131 Ų131111.2 Ų111.261%0.61260%0.603SS**Hα-helixtrans-65.3-38.9177.4-72.5-175.816.600112.9N526 R527 A528 Q532 E533 V534N526-Q530 PolarHBondContact O-N 3.09Å; R527-Q530 PolarHBondContact O-N 3.41Å; A528-Q530 PolarHBondContact O-N 3.49Å; Q530-Q532 VanDerWaalsContact C-N 3.29Å; Q530-Q532 PolarHBondContact O-N 3.2Å; Q530-E533 PolarHBondContact O-N 2.92Å; Q530-V534 PolarHBondContact O-N 3.32Å
531M41.5Very low42.7Very low137 Ų137109.7 Ų109.768%0.67560%0.599SS**Hα-helixtrans-66-32176.9-72.1-171.7172.100112.6R527 A528 E533 V534 A535R527-M531 PolarHBondContact O-N 2.88Å; A528-M531 PolarHBondContact O-N 3.21Å; M531-E533 VanDerWaalsContact C-N 3.34Å; M531-V534 PolarHBondContact O-N 2.82Å; M531-A535 PolarHBondContact O-N 3.17Å
532Q44.7Very low41.9Very low135 Ų135114 Ų11463%0.63161%0.611SS**Hα-helixtrans-75.2-19.4177.3-148.3-177.14200113.8A528 T529 Q530A528-Q532 PolarHBondContact O-N 2.96Å; T529-Q532 PolarHBondContact O-N 3.24Å; Q530-Q532 VanDerWaalsContact C-N 3.29Å; Q530-Q532 PolarHBondContact O-N 3.2Å
533E44.5Very low41.3Very low128 Ų128118.4 Ų118.460%0.59862%0.619SS**Hα-helixtrans-77.3-42.8168.4-70.6-161.5127.200112.1T529 Q530 M531 A535 K536T529-E533 PolarHBondContact O-N 2.99Å; Q530-E533 PolarHBondContact O-N 2.92Å; M531-E533 VanDerWaalsContact C-N 3.34Å; E533-A535 VanDerWaalsContact C-N 3.35Å; E533-A535 PolarHBondContact O-N 3.34Å; E533-K536 PolarHBondContact O-N 2.87Å; E533-K536 VanDerWaalsContact O-N 3.09Å
534V42.4Very low40.5Very low89 Ų89117.8 Ų117.854%0.53963%0.633SS.*Hα-helixtrans-61.6-42-180175.90000111.6Q530 M531 K536 T537Q530-V534 PolarHBondContact O-N 3.32Å; M531-V534 PolarHBondContact O-N 2.82Å; V534-K536 PolarHBondContact O-N 3.23Å; V534-T537 PolarHBondContact O-N 2.92Å; V534-T537 VanDerWaalsContact O-N 3.14Å; V534-T537 PolarHBondContact O-OG1 3.16Å
535A40.1Very low40Very low71 Ų71119.7 Ų119.759%0.58764%0.641SS**Hα-helixtrans-62.5-14.1177.600000114.3M531 E533M531-A535 PolarHBondContact O-N 3.17Å; E533-A535 VanDerWaalsContact C-N 3.35Å; E533-A535 PolarHBondContact O-N 3.34Å
536K41.4Very low39.2Very low149 Ų149124.2 Ų124.265%0.64866%0.655SS**Hα-helixtrans-96.9-17.9177.6-72.4176.7179.6170.40113.8E533 V534E533-K536 PolarHBondContact O-N 2.87Å; E533-K536 VanDerWaalsContact O-N 3.09Å; V534-K536 PolarHBondContact O-N 3.23Å
537T40.3Very low38.3Very low69 Ų69124.2 Ų124.242%0.42366%0.661SS.*Hα-helixtrans-76.4-37.9175.3400000112.4V534 A539 S540V534-T537 PolarHBondContact O-N 2.92Å; V534-T537 VanDerWaalsContact O-N 3.14Å; V534-T537 PolarHBondContact O-OG1 3.16Å; T537-A539 VanDerWaalsContact C-N 3.34Å; T537-A539 PolarHBondContact O-N 3.42Å; T537-S540 PolarHBondContact O-N 2.92Å; T537-S540 PolarHBondContact O-OG 3.42Å
538D35Very low37.7Very low121 Ų121124.4 Ų124.465%0.64767%0.673SS**G310 helixtrans-74.6-25.9-172.8-61.1-18.5000112.9S540D538-S540 PolarHBondContact O-N 3.45Å
539A35.5Very low37Very low82 Ų82127.2 Ų127.268%0.67868%0.683SS**G310 helixtrans-70.7-9.2174.200000114.3T537T537-A539 VanDerWaalsContact C-N 3.34Å; T537-A539 PolarHBondContact O-N 3.42Å
540S36Very low36.1Very low93 Ų93133.2 Ų133.265%0.6570%0.703SS**G310 helixtrans-100.21.9-172.5660000115.4T537 D538T537-S540 PolarHBondContact O-N 2.92Å; T537-S540 PolarHBondContact O-OG 3.42Å; D538-S540 PolarHBondContact O-N 3.45Å
541T36.9Very low35.4Very low117 Ų117129.5 Ų129.572%0.71870%0.7SS**SBendtrans-108.211.8-170.6-34.20000114.1
542Q32.5Very low34.9Very low174 Ų174129.8 Ų129.881%0.81371%0.709SS**  trans-121.838.9-171.3-151.417912.400115.1
543Y30.8Very low34.1Very low231 Ų231132.5 Ų132.591%0.90672%0.719SS**  trans-127.391.1167.6-83.1-78.2000111.1
544G30.1Very low33.5Very low74 Ų74131.8 Ų131.876%0.76373%0.725SS**  trans-97.4129.7173.200000112
545Y30.6Very low32.8Very low226 Ų226134.3 Ų134.389%0.88674%0.741SS**  trans20.6112.8153-93.6-99.4000119.3
546E30.7Very low32.5Very low191 Ų191137.8 Ų137.889%0.89376%0.755SS**  trans-147.3123.7133.6-155.6167.8-137.500108.3
547P29.3Very low32.1Very low96 Ų96135 Ų13562%0.62376%0.759SS**  trans-91.8139.717434.4-29.9000110.7
548D31.6Very low31.6Very low153 Ų153140.2 Ų140.282%0.81878%0.779SS**  trans-161.2123.8140.1-108.7-23.2000114
549V29.1Very low31.5Very low119 Ų119141.2 Ų141.272%0.72179%0.789SS**  trans24118.3139.8-174.70000119.1
550F29.6Very low31.4Very low212 Ų212140.5 Ų140.593%0.9379%0.79SS**  trans-128.7111139.6-118.4-90.2000109
551G31Very low31.3Very low53 Ų53142 Ų14255%0.54679%0.794SS.*PPolyproline II helixtrans-81.5149.4-179.800000112.5
552V31.3Very low31Very low142 Ų142144.7 Ų144.786%0.86180%0.799SS**PPolyproline II helixtrans-75.2131.3172.61780000109.5P554V552-P554 WeakPolarHBondContact O-CD 3.45Å
553F28.1Very low31Very low193 Ų193141.9 Ų141.985%0.84679%0.794SS**PPolyproline II helixtrans-77.9122.6170-84-89.6000111
554P30.7Very low31.2Very low112 Ų112139.8 Ų139.873%0.72779%0.792SS**PPolyproline II helixtrans-83.8151.9158.534.9-32.1000110.7V552V552-P554 WeakPolarHBondContact O-CD 3.45Å
555V28.7Very low31.2Very low143 Ų143141.6 Ų141.687%0.86779%0.79SS**PPolyproline II helixtrans-94.6119.5174.2175.40000109.8
556T32.6Very low31.4Very low144 Ų144139.6 Ų139.688%0.88379%0.789SS**  trans-165.9164.6150.617.10000111.1
557A32.8Very low31.4Very low89 Ų89141.2 Ų141.274%0.73679%0.787SS**  trans-94.9157.8-160.900000116.8
558E30.4Very low31.8Very low180 Ų180142 Ų14284%0.84179%0.793SS**  trans70.3129.5140.3-81.2-177.3179.400124.9
559V33.5Very low31.8Very low141 Ų141144.2 Ų144.286%0.85580%0.8SS**  trans66.8129143.8178.90000119.4
560G32.6Very low31.8Very low68 Ų68149.6 Ų149.670%0.70181%0.807SS**  trans166.210.9166.300000124.9
561V33.4Very low32Very low123 Ų123151.5 Ų151.575%0.74581%0.809SS**  trans40111.4153.4-177.20000121.1
562Q31.4Very low32Very low175 Ų175154 Ų15482%0.81882%0.817SS**  trans63.9154147.1-67.5175.6-21.300119.9
563T33.4Very low32.1Very low115 Ų115157.4 Ų157.471%0.70682%0.821SS**  cis-154.6152.4-3.32.50000113
564E33.8Very low32.3Very low187 Ų187153.9 Ų153.987%0.87482%0.82SS**  trans59.7157.2154.2-71.4-158.9102.400124.6
565P31.6Very low32.5Very low111 Ų111152.4 Ų152.472%0.72183%0.826SS**  trans-127.4173.2-17043.8-28.2000116.3
566E34.6Very low32.7Very low185 Ų185149 Ų14986%0.86482%0.82SS**  trans-156.5168159.1-109.2-76.374.500111.3
567R30Very low32.7Very low225 Ų225152.7 Ų152.785%0.84982%0.824SS**  trans-145.9-178.9-174.5-89.8-170.7-179.5-178.32.7110.7
568P37.7Very low32.7Very low113 Ų113153.5 Ų153.573%0.73482%0.824SS**  cis-133.7173.7-49.839.3-24.4000112.6
569M32Very low33.1Very low198 Ų198151 Ų15198%0.97582%0.822SS**  trans-154.9162.8152-122.4-165.1-169.200115.8
570R29.4Very low33.3Very low232 Ų232148.2 Ų148.288%0.87581%0.813SS**  trans-91.4152.9-177-64.5177.4169.2-159-1.1113
571R33.5Very low33.5Very low253 Ų253153.9 Ų153.996%0.95582%0.819SS**  -166.6166.8123.5-106162.3-172.6-174.62.6112.3
572S30.2Very low33.7Very low105 Ų105154.7 Ų154.773%0.73482%0.818SS**  trans-107.9157.1-169.253.50000113.4
573F33.6Very low33.9Very low214 Ų214152.3 Ų152.394%0.93981%0.811SS**  trans-139.2159.8158.9-116.6-88.8000111.3
574S32.5Very low34.2Very low118 Ų118154.9 Ų154.983%0.82582%0.815SS**  trans-144149.3-165.855.20000114.4
575G35Very low34.3Very low82 Ų82150.6 Ų150.685%0.84581%0.806SS**  trans169.8145.6167.800000110.8
576G32.5Very low34.8Very low72 Ų72151.3 Ų151.374%0.74281%0.808SS**  cis134.799.8-8.800000113.2
577F33.9Very low35.1Very low220 Ų220148 Ų14897%0.96580%0.803SS**  trans-156.5148.9164.7-120.5-80.9000111
578S33.1Very low35.3Very low107 Ų107142.9 Ų142.975%0.74880%0.801SS**  trans-160.9153-174.8-172.80000113.3
579T37.8Very low35.3Very low128 Ų128143.9 Ų143.979%0.78581%0.806SS**  trans-147.8126.8165.541.70000107.1
580A37.2Very low35.5Very low82 Ų82139.4 Ų139.468%0.67879%0.794SS**  76.3133.156.500000112.4
581F36.8Very low35.9Very low187 Ų187133 Ų13382%0.8279%0.79SS**  cis-159.2152.214.2-111.2-49.9000112.9
582L37.7Very low36Very low139 Ų139124.7 Ų124.773%0.72878%0.776SS**  trans56.5158.3148.1-68.1160000120.6
583N37Very low36.4Very low126 Ų126128.6 Ų128.667%0.67478%0.782SS**  cis-149.6179.37.2-146.5-9.9000115.5
584Q38.2Very low36.5Very low169 Ų169123.1 Ų123.179%0.7977%0.767SS**  trans-62.2172.8174-66.3166.47.800115.6
585S37.1Very low36.9Very low96 Ų96123.3 Ų123.367%0.67176%0.763SS**  cis-170.2-164.7-18.155.90000107.6
586T42.4Very low37Very low127 Ų127125.5 Ų125.578%0.77976%0.755SS**  cis-161.6167.50.1-7.70000108.4
587P41Very low37.3Very low115 Ų115128.6 Ų128.675%0.74776%0.755SS**  trans-118.8-166.9-171.443.2-32.4000117.5
588S34Very low37.9Very low117 Ų117125.7 Ų125.782%0.81875%0.749SS**  trans87.5151.2-175.973.50000115.3
589T37.8Very low38.3Very low135 Ų135126.1 Ų126.183%0.82875%0.749SS**  cis-138.2-166.826.1-63.20000112.7
590S35Very low38.2Very low104 Ų104127.3 Ų127.373%0.72775%0.746SS**  trans-117.1-173.2-155.658.50000116.8
591A37.2Very low38.2Very low96 Ų96130.2 Ų130.279%0.79374%0.743SS**  trans80.5150.9163.400000118.6
592A37.3Very low38.1Very low79 Ų79132.3 Ų132.365%0.65375%0.745SS**  cis-172.5157.8-24.300000110.7
593Q37.9Very low38.1Very low187 Ų187130.8 Ų130.887%0.87475%0.746SS**  trans59149.6141.3-76.5-174.6-1400120.7
594T35.5Very low37.9Very low99 Ų99130.8 Ų130.861%0.60775%0.753SS**  cis-160.6-175.2-13.3-64.10000107.3
595T40.9Very low37.7Very low122 Ų122134.7 Ų134.775%0.74876%0.761SS**  trans76.7152.7159.976.30000119
596D36.1Very low37.4Very low128 Ų128134.9 Ų134.968%0.68476%0.762SS**  cis-164.8174.4-42.4-108.5-52000110.9
597N40.5Very low37.3Very low137 Ų137135 Ų13573%0.73377%0.765SS**  trans111.988.2153.8-58.7-70.1000120.5
598L45.3Very low37Very low160 Ų160140.6 Ų140.684%0.83877%0.771SS**  62.6157.9127.5-84.384.6000123.3
599P41Very low37.1Very low115 Ų115146 Ų14675%0.74777%0.773SS**  trans-132.4178.5-158.244-27.9000116.3
600E37Very low36.8Very low154 Ų154151.2 Ų151.272%0.7278%0.78SS**  trans-147.1133.4153.3-122.7-165.3150.700117.7
601K36.4Very low36.9Very low143 Ų143148.9 Ų148.962%0.62277%0.772SS**  trans41123.6149.2-75.1170-169.7155.10123.6
602R35.4Very low37.3Very low230 Ų230148 Ų14887%0.86876%0.76SS**  trans69.3142.2131.1-64.7173178.5-177.7-2.5118
603S37.4Very low37.4Very low108 Ų108150.7 Ų150.776%0.75576%0.761SS**  cis-157.1162.7-6.158.30000110.1
604P32.4Very low37.6Very low125 Ų125148.8 Ų148.881%0.81275%0.752SS**  trans-93.3132.1-162.734.2-33.9000115.3
605R33.5Very low37.9Very low251 Ų251149.2 Ų149.295%0.94775%0.747SS**  trans-140.3146.2158.2-73.4-166.8171.6171.9-1.8111.6
606S32.5Very low37.9Very low100 Ų100148.3 Ų148.370%0.69974%0.737SS**PPolyproline II helixtrans-76.9142.7-16346.30000115.9
607P38.7Very low38.2Very low130 Ų130148.8 Ų148.884%0.84474%0.735SS**PPolyproline II helixtrans-78127156.431.9-30.4000109.9
608R35.6Very low38.3Very low232 Ų232150.7 Ų150.788%0.87573%0.732SS**PPolyproline II helixtrans-86.9140.5179.6-86.3177.2164.6173.1-4.8112.2
609R35.6Very low38.4Very low230 Ų230148.2 Ų148.287%0.86871%0.714SS**  trans63.154.2141.4-160.3-174.6-89.5-172.7-7.7117.9
610Y32.6Very low38.4Very low246 Ų246151.4 Ų151.497%0.96571%0.711SS**  trans-83.5101.5145.4-100.1-95.1000108.5
611G37.1Very low38.9Very low54 Ų54148.9 Ų148.956%0.55771%0.707SS**  trans-174.10.5-175.600000118.5
612S44.3Very low39.3Very low79 Ų79149.9 Ų149.955%0.55271%0.707SS**SBendtrans-82-47.2-177.746.10000113.8H615 L616S612-H615 PolarHBondContact O-N 2.99Å; S612-L616 PolarHBondContact O-N 2.92Å; S612-L616 VanDerWaalsContact O-N 3.09Å
613M39.7Very low39.6Very low135 Ų135145.6 Ų145.667%0.66569%0.69SS**Hα-helixtrans-68.9-48-169.5-77.7-175.5162.900114.6H615 L616 E617M613-H615 PolarHBondContact O-N 3.05Å; M613-H615 VanDerWaalsContact O-N 3.14Å; M613-L616 WeakPolarHBondContact O-CA 3.03Å; M613-L616 WeakPolarHBondContact O-CB 2.92Å; M613-L616 PolarHBondContact O-N 3.2Å; M613-E617 PolarHBondContact O-N 2.96Å; M613-E617 VanDerWaalsContact O-N 3.12Å
614Q41.6Very low39.8Very low146 Ų146142.1 Ų142.168%0.68267%0.672SS**Hα-helixtrans-62.4-23.6176-71.4-174.2-7.700112.9R618Q614-R618 WeakPolarHBondContact O-CG 3.48Å; Q614-R618 PolarHBondContact O-N 3.25Å
615H41.4Very low40.4Very low108 Ų108139.4 Ų139.450%0.566%0.656SS.*Hα-helixtrans-79.9-27.9174.8-158.674.7000112.1S612 M613 K619S612-H615 PolarHBondContact O-N 2.99Å; M613-H615 PolarHBondContact O-N 3.05Å; M613-H615 VanDerWaalsContact O-N 3.14Å; H615-K619 VanDerWaalsContact NE2-CE 3.33Å; H615-K619 WeakPolarHBondContact NE2-CE 3.4Å; H615-K619 WeakPolarHBondContact O-CB 3.17Å; H615-K619 VanDerWaalsContact O-CG 3.31Å; H615-K619 WeakPolarHBondContact O-CG 3.41Å; H615-K619 PolarHBondContact O-N 3Å; H615-K619 VanDerWaalsContact O-N 3.09Å
616L42.5Very low41Very low103 Ų103131.8 Ų131.854%0.53963%0.631SS.*Hα-helixtrans-71.5-41.2172.7-92160.4000112.7S612 M613 K619 R620S612-L616 PolarHBondContact O-N 2.92Å; S612-L616 VanDerWaalsContact O-N 3.09Å; M613-L616 WeakPolarHBondContact O-CA 3.03Å; M613-L616 WeakPolarHBondContact O-CB 2.92Å; M613-L616 PolarHBondContact O-N 3.2Å; L616-K619 CarbonylContact O-C 3.41Å; L616-K619 WeakPolarHBondContact O-CA 3.45Å; L616-K619 PolarHBondContact O-N 3.23Å; L616-K619 VanDerWaalsContact O-N 3.17Å; L616-R620 PolarHBondContact O-N 3.33Å
617E40.8Very low41.5Very low138 Ų138132.4 Ų132.465%0.64563%0.626SS**Hα-helixtrans-65-45.4175.4-68.5-173.2128.700111.8M613 K619 R620 T621M613-E617 PolarHBondContact O-N 2.96Å; M613-E617 VanDerWaalsContact O-N 3.12Å; E617-K619 PolarHBondContact O-N 3.43Å; E617-R620 WeakPolarHBondContact O-CA 3.37Å; E617-R620 WeakPolarHBondContact O-CB 3.39Å; E617-R620 PolarHBondContact O-N 3.12Å; E617-T621 PolarHBondContact O-N 3.32Å; E617-T621 PolarHBondContact O-OG1 2.77Å
618R43.8Very low41.8Very low178 Ų178131.1 Ų131.167%0.67261%0.612SS**Hα-helixtrans-60.8-28.7172.3-70.2-179.2-177.5-172.12.3112.8Q614 T621 R622Q614-R618 WeakPolarHBondContact O-CG 3.48Å; Q614-R618 PolarHBondContact O-N 3.25Å; R618-T621 PolarHBondContact O-OG1 3.39Å; R618-R622 VanDerWaalsContact O-CB 3.27Å; R618-R622 WeakPolarHBondContact O-CB 3.31Å; R618-R622 WeakPolarHBondContact O-CG 3.48Å; R618-R622 PolarHBondContact O-N 3.4Å
619K46.2Very low42.4Very low107 Ų107123 Ų12347%0.46559%0.591SS.*Hα-helixtrans-82.9-9.2171.6-79.3-176.6173.3-175.90114.7H615 L616 E617 R623H615-K619 VanDerWaalsContact NE2-CE 3.33Å; H615-K619 WeakPolarHBondContact NE2-CE 3.4Å; H615-K619 WeakPolarHBondContact O-CB 3.17Å; H615-K619 VanDerWaalsContact O-CG 3.31Å; H615-K619 WeakPolarHBondContact O-CG 3.41Å; H615-K619 PolarHBondContact O-N 3Å; H615-K619 VanDerWaalsContact O-N 3.09Å; L616-K619 CarbonylContact O-C 3.41Å; L616-K619 WeakPolarHBondContact O-CA 3.45Å; L616-K619 PolarHBondContact O-N 3.23Å; L616-K619 VanDerWaalsContact O-N 3.17Å; E617-K619 PolarHBondContact O-N 3.43Å; K619-R623 WeakPolarHBondContact O-CB 3.12Å; K619-R623 PolarHBondContact O-NE 3.06Å
620R42.6Very low42.9Very low182 Ų182117.1 Ų117.169%0.68757%0.573SS**Hα-helixtrans-86.2-47.6166.4-94.8-174.3176.2162.70.9110.7L616 E617 R623 G624L616-R620 PolarHBondContact O-N 3.33Å; E617-R620 WeakPolarHBondContact O-CA 3.37Å; E617-R620 WeakPolarHBondContact O-CB 3.39Å; E617-R620 PolarHBondContact O-N 3.12Å; R620-R623 PolarHBondContact O-N 2.97Å; R620-G624 PolarHBondContact O-N 2.95Å
621T46.4Very low43.3Very low102 Ų102114.6 Ų114.663%0.62656%0.561SS**Hα-helixtrans-65.6-41.8177.249.60000111.9E617 R618 G624 S625E617-T621 PolarHBondContact O-N 3.32Å; E617-T621 PolarHBondContact O-OG1 2.77Å; R618-T621 PolarHBondContact O-OG1 3.39Å; T621-G624 PolarHBondContact O-N 2.95Å; T621-S625 PolarHBondContact O-N 2.66Å; T621-S625 PolarHBondContact O-OG 3.35Å
622R45Very low43.6Very low164 Ų164118.7 Ų118.762%0.61957%0.571SS**Hα-helixtrans-59.1-49.7171.3-85.5-162.6174.9-157.7-0.7113.1R618 G624 S625 E626R618-R622 VanDerWaalsContact O-CB 3.27Å; R618-R622 WeakPolarHBondContact O-CB 3.31Å; R618-R622 WeakPolarHBondContact O-CG 3.48Å; R618-R622 PolarHBondContact O-N 3.4Å; R622-G624 PolarHBondContact O-N 2.85Å; R622-S625 WeakPolarHBondContact CA-OG 3.12Å; R622-S625 CarbonylContact O-C 3.54Å; R622-S625 PolarHBondContact O-N 3.31Å; R622-S625 PolarHBondContact O-OG 3.36Å; R622-E626 WeakPolarHBondContact O-CB 3.07Å; R622-E626 VanDerWaalsContact O-CG 3.24Å; R622-E626 WeakPolarHBondContact O-CG 3.21Å; R622-E626 PolarHBondContact O-N 3.5Å
623R41.6Very low43.6Very low139 Ų139124.1 Ų124.153%0.52558%0.579SS.*Hα-helixtrans-63.6-29.7177.5-81.2-173.6-73.7-177-2.6113.3K619 R620 E626 L627K619-R623 WeakPolarHBondContact O-CB 3.12Å; K619-R623 PolarHBondContact O-NE 3.06Å; R620-R623 PolarHBondContact O-N 2.97Å; R623-E626 PolarHBondContact N-OE2 3.09Å; R623-L627 VanDerWaalsContact O-CB 3.23Å; R623-L627 WeakPolarHBondContact O-CB 3.5Å; R623-L627 WeakPolarHBondContact O-CD1 3.39Å; R623-L627 WeakPolarHBondContact O-CG 3.07Å; R623-L627 PolarHBondContact O-N 3.25Å
624G41.1Very low44Very low36 Ų36121.9 Ų121.937%0.37157%0.573SS.*Hα-helixtrans-59.7-50.7168.400000112.2R620 T621 R622 L628R620-G624 PolarHBondContact O-N 2.95Å; T621-G624 PolarHBondContact O-N 2.95Å; R622-G624 PolarHBondContact O-N 2.85Å; G624-L628 WeakPolarHBondContact O-CB 3.17Å; G624-L628 WeakPolarHBondContact O-CD1 3.22Å; G624-L628 VanDerWaalsContact O-CG 3.28Å; G624-L628 WeakPolarHBondContact O-CG 3.3Å; G624-L628 PolarHBondContact O-N 3.44Å; G624-L628 VanDerWaalsContact O-N 3.14Å
625S44.9Very low43.7Very low68 Ų68115.8 Ų115.848%0.47655%0.549SS..Hα-helixtrans-70.3-32.7176.850.10000114.2T621 R622 L628 S629T621-S625 PolarHBondContact O-N 2.66Å; T621-S625 PolarHBondContact O-OG 3.35Å; R622-S625 WeakPolarHBondContact CA-OG 3.12Å; R622-S625 CarbonylContact O-C 3.54Å; R622-S625 PolarHBondContact O-N 3.31Å; R622-S625 PolarHBondContact O-OG 3.36Å; S625-L628 PolarHBondContact O-N 2.92Å; S625-S629 VanDerWaalsContact O-CB 3.29Å; S625-S629 WeakPolarHBondContact O-CB 3.4Å; S625-S629 PolarHBondContact O-N 3.25Å
626E46.8Very low43.6Very low90 Ų90114.5 Ų114.542%0.42155%0.545SS..Hα-helixtrans-72.5-42.3179.3-70.5155.3174.400110.1R622 R623 L628 S629 E630R622-E626 WeakPolarHBondContact O-CB 3.07Å; R622-E626 VanDerWaalsContact O-CG 3.24Å; R622-E626 WeakPolarHBondContact O-CG 3.21Å; R622-E626 PolarHBondContact O-N 3.5Å; R623-E626 PolarHBondContact N-OE2 3.09Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.34Å; E626-S629 PolarHBondContact O-N 2.82Å; E626-E630 WeakPolarHBondContact O-CB 3.46Å; E626-E630 VanDerWaalsContact O-CG 3.24Å; E626-E630 WeakPolarHBondContact O-CG 3.37Å; E626-E630 PolarHBondContact O-N 2.98Å
627L43.8Very low43.6Very low114 Ų114115.7 Ų115.760%0.59755%0.551SS**Hα-helixtrans-71.1-23.7174.1-68.7169.6000113.6R623 R631R623-L627 VanDerWaalsContact O-CB 3.23Å; R623-L627 WeakPolarHBondContact O-CB 3.5Å; R623-L627 WeakPolarHBondContact O-CD1 3.39Å; R623-L627 WeakPolarHBondContact O-CG 3.07Å; R623-L627 PolarHBondContact O-N 3.25Å; L627-R631 WeakPolarHBondContact O-CB 3.39Å; L627-R631 WeakPolarHBondContact O-CG 3.45Å; L627-R631 PolarHBondContact O-N 3.19Å
628L43.6Very low43.6Very low103 Ų103117.5 Ų117.554%0.53955%0.552SS.*Hα-helixtrans-75-44.8167.9-74.4166.7000110.9G624 S625 E626 E630 R631 D632G624-L628 WeakPolarHBondContact O-CB 3.17Å; G624-L628 WeakPolarHBondContact O-CD1 3.22Å; G624-L628 VanDerWaalsContact O-CG 3.28Å; G624-L628 WeakPolarHBondContact O-CG 3.3Å; G624-L628 PolarHBondContact O-N 3.44Å; G624-L628 VanDerWaalsContact O-N 3.14Å; S625-L628 PolarHBondContact O-N 2.92Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.34Å; L628-E630 VanDerWaalsContact C-N 3.3Å; L628-E630 PolarHBondContact O-N 3.2Å; L628-R631 WeakPolarHBondContact O-CB 3.2Å; L628-R631 PolarHBondContact O-N 2.97Å; L628-R631 VanDerWaalsContact O-N 3.15Å; L628-D632 PolarHBondContact O-N 2.99Å
629S49.2Very low43.3Very low62 Ų62115.6 Ų115.643%0.43455%0.551SS.*Hα-helixtrans-64-31.1175.7-176.10000113.4S625 E626 R633S625-S629 VanDerWaalsContact O-CB 3.29Å; S625-S629 WeakPolarHBondContact O-CB 3.4Å; S625-S629 PolarHBondContact O-N 3.25Å; E626-S629 PolarHBondContact O-N 2.82Å; S629-R633 WeakPolarHBondContact O-CB 3.07Å; S629-R633 WeakPolarHBondContact O-CD 3.37Å; S629-R633 WeakPolarHBondContact O-CG 3.38Å; S629-R633 PolarHBondContact O-N 3.21Å; S629-R633 VanDerWaalsContact O-N 3.17Å
630E46Very low43.3Very low106 Ų106118.8 Ų118.850%0.49556%0.56SS.*Hα-helixtrans-70.9-44171.2-74.3-88104.800110.7E626 L628 D632 R633 V634E626-E630 WeakPolarHBondContact O-CB 3.46Å; E626-E630 VanDerWaalsContact O-CG 3.24Å; E626-E630 WeakPolarHBondContact O-CG 3.37Å; E626-E630 PolarHBondContact O-N 2.98Å; L628-E630 VanDerWaalsContact C-N 3.3Å; L628-E630 PolarHBondContact O-N 3.2Å; E630-D632 VanDerWaalsContact C-N 3.35Å; E630-D632 PolarHBondContact O-N 3.35Å; E630-R633 WeakPolarHBondContact O-CB 3.38Å; E630-R633 PolarHBondContact O-N 2.95Å; E630-R633 VanDerWaalsContact O-N 3.08Å; E630-V634 VanDerWaalsContact O-CG2 3.3Å; E630-V634 WeakPolarHBondContact O-CG2 3.16Å; E630-V634 PolarHBondContact O-N 3.37Å
631R41.7Very low43.5Very low192 Ų192114.8 Ų114.873%0.72556%0.555SS**Hα-helixtrans-59.6-42.9175.2-85.2176.7153.8167.7-5.2112.8L627 L628 R633 V634L627-R631 WeakPolarHBondContact O-CB 3.39Å; L627-R631 WeakPolarHBondContact O-CG 3.45Å; L627-R631 PolarHBondContact O-N 3.19Å; L628-R631 WeakPolarHBondContact O-CB 3.2Å; L628-R631 PolarHBondContact O-N 2.97Å; L628-R631 VanDerWaalsContact O-N 3.15Å; R631-R633 VanDerWaalsContact C-N 3.27Å; R631-R633 PolarHBondContact O-N 2.81Å; R631-V634 PolarHBondContact O-N 3.28Å
632D42.8Very low43Very low140 Ų140114.5 Ų114.575%0.74955%0.55SS**Hα-helixtrans-72.1-20.5176.4-66.9-18.5000112.6L628 E630L628-D632 PolarHBondContact O-N 2.99Å; E630-D632 VanDerWaalsContact C-N 3.35Å; E630-D632 PolarHBondContact O-N 3.35Å
633R45.1Very low42.9Very low194 Ų194109.3 Ų109.373%0.73255%0.548SS*.Hα-helixtrans-81.9-30.9174.1-87.4174.6166.1-157.9-6.6114.3S629 E630 R631S629-R633 WeakPolarHBondContact O-CB 3.07Å; S629-R633 WeakPolarHBondContact O-CD 3.37Å; S629-R633 WeakPolarHBondContact O-CG 3.38Å; S629-R633 PolarHBondContact O-N 3.21Å; S629-R633 VanDerWaalsContact O-N 3.17Å; E630-R633 WeakPolarHBondContact O-CB 3.38Å; E630-R633 PolarHBondContact O-N 2.95Å; E630-R633 VanDerWaalsContact O-N 3.08Å; R631-R633 VanDerWaalsContact C-N 3.27Å; R631-R633 PolarHBondContact O-N 2.81Å
634V46.4Very low42.8Very low87 Ų87109.2 Ų109.253%0.52755%0.551SS.*Hα-helixtrans-93.3-6.3-171.6-179.30000112.5E630 R631 L636E630-V634 VanDerWaalsContact O-CG2 3.3Å; E630-V634 WeakPolarHBondContact O-CG2 3.16Å; E630-V634 PolarHBondContact O-N 3.37Å; R631-V634 PolarHBondContact O-N 3.28Å; V634-L636 HydrophobicContact CG1-CD1 3.73Å; V634-L636 HydrophobicContact CG1-CG 4.04Å; V634-L636 PolarHBondContact O-N 3.17Å; V634-L636 VanDerWaalsContact O-N 3.14Å
635G36.7Very low42.7Very low18 Ų18114.7 Ų114.719%0.18657%0.567CS.*  trans69.312.2165.100000116.1I637 Q649G635-I637 PolarHBondContact O-N 3.41Å; G635-Q649 WeakPolarHBondContact O-CG 3.37Å; G635-Q649 PolarHBondContact O-OE1 3.36Å
636L39.2Very low42.4Very low81 Ų81114.7 Ų114.742%0.42457%0.571SS.*  trans-7989.3-173.3-75.8168.6000112.8V634 A646V634-L636 HydrophobicContact CG1-CD1 3.73Å; V634-L636 HydrophobicContact CG1-CG 4.04Å; V634-L636 PolarHBondContact O-N 3.17Å; V634-L636 VanDerWaalsContact O-N 3.14Å; L636-A646 HydrophobicContact CD2-CB 4.12Å
637I42.8Very low41.9Very low129 Ų129118.7 Ų118.766%0.66259%0.59SS**PPolyproline II helixtrans-81.3116.3164.9-60.2-172.9000109.2G635 H639 Q649G635-I637 PolarHBondContact O-N 3.41Å; I637-H639 PolarHBondContact O-N 2.99Å; I637-Q649 VanDerWaalsContact CD1-NE2 3.25Å
638W40.3Very low41.7Very low176 Ų176124.2 Ų124.267%0.66760%0.603SS**PPolyproline II helixtrans-69.1127.7172.3-78.672.4000111
639H37.5Very low41.5Very low138 Ų138124.6 Ų124.664%0.63960%0.602SS**PPolyproline II helixtrans-68.4144.1171.8-146.3-105.9000110.5I637 T641I637-H639 PolarHBondContact O-N 2.99Å; H639-T641 VanDerWaalsContact C-N 3.3Å; H639-T641 PolarHBondContact ND1-OG1 3.2Å; H639-T641 PolarHBondContact O-N 3.17Å
640R46.3Very low41.4Very low173 Ų173126.4 Ų126.465%0.65361%0.606SS**SBendtrans-82.1-8.1-164.9-159.6176.1-177.5-163.6-1.3114.2D107D107-R640 PolarHBondContact O-NH2 3.43Å
641T46.6Very low41.2Very low98 Ų98124.4 Ų124.460%0.60160%0.602SS**SBendtrans-108.6-48.4-170.341.80000112H639H639-T641 VanDerWaalsContact C-N 3.3Å; H639-T641 PolarHBondContact ND1-OG1 3.2Å; H639-T641 PolarHBondContact O-N 3.17Å
642D36.4Very low41.3Very low96 Ų96120.7 Ų120.751%0.51360%0.6SS.*  trans-123.5101.8-161.6-47.6-67.7000110.9K644D642-K644 PolarHBondContact O-N 2.75Å
643G41.7Very low41.7Very low56 Ų56122.7 Ų122.758%0.57760%0.602SS**THydrogen-bonded Turntrans-72.420.4-173.300000116.2
644K39.1Very low42.1Very low136 Ų136119.1 Ų119.159%0.59159%0.594SS**THydrogen-bonded Turntrans-119.9-3.9-173.1-65.1-167.2177.3-173.60115.1D261 D642D261-K644 WeakPolarHBondContact OD1-CE 3.4Å; D261-K644 IonicContact OD1-NZ 2.87Å; D261-K644 PolarHBondContact OD1-NZ 2.92Å; D642-K644 PolarHBondContact O-N 2.75Å
645H40Very low42.2Very low152 Ų152118.8 Ų118.870%0.70459%0.589SS**  trans-126.5134.6178.3-64-74.8000113.2
646A38.2Very low42.6Very low68 Ų68125.1 Ų125.156%0.56261%0.607SS**  trans-132.989.8-17900000109.2L636L636-A646 HydrophobicContact CD2-CB 4.12Å
647E37.2Very low43.5Very low174 Ų174123.2 Ų123.281%0.81360%0.603SS**PPolyproline II helixtrans-83.3142.7-174.1-163.7167.1-129.600111.7
648R39.4Very low43.9Very low230 Ų230123.8 Ų123.887%0.86860%0.601SS**PPolyproline II helixtrans-77.8124.7178.6-77.3-172.7174.9-167.81.1110.4I650R648-I650 PolarHBondContact O-N 3.17Å
649Q39.2Very low44.3Very low111 Ų111125.5 Ų125.552%0.51961%0.607SS.*PPolyproline II helixtrans-70118166.9-78.3-171.5-8.700111.3G635 I637G635-Q649 WeakPolarHBondContact O-CG 3.37Å; G635-Q649 PolarHBondContact O-OE1 3.36Å; I637-Q649 VanDerWaalsContact CD1-NE2 3.25Å
650I46.3Very low45Very low100 Ų100125.6 Ų125.651%0.51361%0.608SS.*PPolyproline II helixtrans-63.6127.4161.5-58170.5000107.3R648 E654 L655R648-I650 PolarHBondContact O-N 3.17Å; I650-E654 HydrophobicContact CG2-CB 3.78Å; I650-L655 HydrophobicContact CB-CD1 4.17Å; I650-L655 HydrophobicContact CB-CG 4.23Å; I650-L655 HydrophobicContact CG2-CD1 4.36Å; I650-L655 HydrophobicContact CG2-CG 3.94Å
651P43.4Very low45.1Very low64 Ų64124.5 Ų124.542%0.41661%0.61SS.*PPolyproline II helixtrans-64.4142.3-179.426.9-34.9000110.9K653 E654 L655P651-K653 PolarHBondContact O-N 3.28Å; P651-E654 VanDerWaalsContact CD-OE2 3.31Å; P651-E654 WeakPolarHBondContact CD-OE2 3.49Å; P651-E654 HydrophobicContact CG-CB 4.18Å; P651-E654 HydrophobicContact CG-CG 3.98Å; P651-E654 VanDerWaalsContact CG-OE1 3.27Å; P651-E654 WeakPolarHBondContact CG-OE1 3.37Å; P651-E654 WeakPolarHBondContact CG-OE2 3.36Å; P651-E654 PolarHBondContact O-N 3.38Å; P651-L655 PolarHBondContact O-N 2.92Å
652V43Very low44.7Very low113 Ų113123.2 Ų123.269%0.68562%0.616SS**Hα-helixtrans-58.1-13.9-175.2-1780000113.9R656V652-R656 VanDerWaalsContact O-CB 3.26Å; V652-R656 WeakPolarHBondContact O-CB 3.33Å; V652-R656 PolarHBondContact O-N 3.44Å
653K50.4Low44.8Very low182 Ų182125.5 Ų125.579%0.79163%0.629SS**Hα-helixtrans-77.5-38.8171.6-67.5-174.3176.9-176.20113.2P651 R656 A657P651-K653 PolarHBondContact O-N 3.28Å; K653-R656 PolarHBondContact O-N 3.25Å; K653-A657 PolarHBondContact O-N 3.42Å
654E53.2Low44.6Very low120 Ų120128 Ų12856%0.56164%0.637SS**Hα-helixtrans-74.3-41.5176.4-74.3160.6-148.700110.3I650 P651 R656 A657 F658I650-E654 HydrophobicContact CG2-CB 3.78Å; P651-E654 VanDerWaalsContact CD-OE2 3.31Å; P651-E654 WeakPolarHBondContact CD-OE2 3.49Å; P651-E654 HydrophobicContact CG-CB 4.18Å; P651-E654 HydrophobicContact CG-CG 3.98Å; P651-E654 VanDerWaalsContact CG-OE1 3.27Å; P651-E654 WeakPolarHBondContact CG-OE1 3.37Å; P651-E654 WeakPolarHBondContact CG-OE2 3.36Å; P651-E654 PolarHBondContact O-N 3.38Å; E654-R656 PolarHBondContact O-N 2.93Å; E654-A657 PolarHBondContact O-N 2.87Å; E654-F658 WeakPolarHBondContact O-CB 3.46Å; E654-F658 PolarHBondContact O-N 3.49Å
655L48.9Very low44.6Very low80 Ų80127 Ų12742%0.41965%0.645SS.*Hα-helixtrans-60.1-29.5169.8-91.3163.7000113.4I650 P651 W659I650-L655 HydrophobicContact CB-CD1 4.17Å; I650-L655 HydrophobicContact CB-CG 4.23Å; I650-L655 HydrophobicContact CG2-CD1 4.36Å; I650-L655 HydrophobicContact CG2-CG 3.94Å; P651-L655 PolarHBondContact O-N 2.92Å; L655-W659 PolarHBondContact O-N 3.22Å
656R45.3Very low44.4Very low150 Ų150132.5 Ų132.557%0.56667%0.671SS**Hα-helixtrans-76.2-45.9172.6179.8-179.9-64.4-132.40.4111.7V652 K653 E654 F658 W659 E660V652-R656 VanDerWaalsContact O-CB 3.26Å; V652-R656 WeakPolarHBondContact O-CB 3.33Å; V652-R656 PolarHBondContact O-N 3.44Å; K653-R656 PolarHBondContact O-N 3.25Å; E654-R656 PolarHBondContact O-N 2.93Å; R656-F658 VanDerWaalsContact C-N 3.28Å; R656-F658 PolarHBondContact O-N 3.24Å; R656-W659 CarbonylContact O-C 3.55Å; R656-W659 PolarHBondContact O-N 3.33Å; R656-E660 VanDerWaalsContact CD-OE1 3.27Å; R656-E660 WeakPolarHBondContact CD-OE1 3.47Å; R656-E660 HydrophobicContact CG-CG 4.07Å; R656-E660 VanDerWaalsContact CG-OE1 3.22Å; R656-E660 WeakPolarHBondContact CG-OE1 3.31Å; R656-E660 WeakPolarHBondContact O-CB 3.35Å; R656-E660 WeakPolarHBondContact O-CG 3.36Å; R656-E660 PolarHBondContact O-N 3.41Å
657A57.6Low44.7Very low41 Ų41135.8 Ų135.834%0.33968%0.676SS.*Hα-helixtrans-56.3-45.1175.300000111K653 E654 W659 E660 E661K653-A657 PolarHBondContact O-N 3.42Å; E654-A657 PolarHBondContact O-N 2.87Å; A657-W659 PolarHBondContact O-N 2.97Å; A657-E660 PolarHBondContact O-N 3.05Å; A657-E660 VanDerWaalsContact O-N 3.12Å; A657-E661 WeakPolarHBondContact O-CB 3.31Å; A657-E661 PolarHBondContact O-N 3.1Å
658F51.2Low45.1Very low142 Ų142133.7 Ų133.762%0.62367%0.669SS**Hα-helixtrans-60.6-25.1175.5-171.7-93.8000114.3E654 R656E654-F658 WeakPolarHBondContact O-CB 3.46Å; E654-F658 PolarHBondContact O-N 3.49Å; R656-F658 VanDerWaalsContact C-N 3.28Å; R656-F658 PolarHBondContact O-N 3.24Å
659W49.4Very low45.4Very low212 Ų212128.4 Ų128.480%0.80366%0.658SS**Hα-helixtrans-96.4-16.6175.2-91.880.9000114.2L655 R656 A657L655-W659 PolarHBondContact O-N 3.22Å; R656-W659 CarbonylContact O-C 3.55Å; R656-W659 PolarHBondContact O-N 3.33Å; A657-W659 PolarHBondContact O-N 2.97Å
660E52.5Low45.8Very low140 Ų140129.4 Ų129.465%0.65467%0.666SS**Hα-helixtrans-94.1-30.3176.2-71.8174.7176.800111.3R656 A657 G662R656-E660 VanDerWaalsContact CD-OE1 3.27Å; R656-E660 WeakPolarHBondContact CD-OE1 3.47Å; R656-E660 HydrophobicContact CG-CG 4.07Å; R656-E660 VanDerWaalsContact CG-OE1 3.22Å; R656-E660 WeakPolarHBondContact CG-OE1 3.31Å; R656-E660 WeakPolarHBondContact O-CB 3.35Å; R656-E660 WeakPolarHBondContact O-CG 3.36Å; R656-E660 PolarHBondContact O-N 3.41Å; A657-E660 PolarHBondContact O-N 3.05Å; A657-E660 VanDerWaalsContact O-N 3.12Å; E660-G662 PolarHBondContact O-N 3.4Å
661E47.3Very low45.8Very low150 Ų150131.3 Ų131.370%0.70168%0.676SS**SBendtrans-9069.9169.6-62.6-173.8153.500110.3A657 N663A657-E661 WeakPolarHBondContact O-CB 3.31Å; A657-E661 PolarHBondContact O-N 3.1Å; E661-N663 PolarHBondContact O-N 3.2Å
662G38.3Very low45.9Very low70 Ų70135.7 Ų135.772%0.72269%0.693SS**  trans-66.773.8-165.700000117.4E660E660-G662 PolarHBondContact O-N 3.4Å
663N39.2Very low46.1Very low145 Ų145137.4 Ų137.478%0.77569%0.694SS**PPolyproline II helixtrans-86.8143.1159.1-72.5-36.9000110.3E661E661-N663 PolarHBondContact O-N 3.2Å
664S37.7Very low45.8Very low108 Ų108133.9 Ų133.976%0.75569%0.686SS**PPolyproline II helixtrans-74.2143.4-178.550.20000112.6
665P39.1Very low45.2Very low116 Ų116135.1 Ų135.175%0.75370%0.696SS**PPolyproline II helixtrans-76.4125.117131.4-32.6000111.3
666E35.6Very low44.8Very low267 Ų267140.1 Ų140.1100%1.24872%0.722SS**  trans-950143.6-68.2-172.5139.300108.2

Retrieved 666 of 666 residues in 127 ms (Link to these results)

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