A0A061IL54_CRIGR Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A061IL54, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100759957, Length 304 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
1M46.9Very low41.8Very low145 Ų145119 Ų11971%0.71460%0.604SS**  01340-76.1169.461.700108.4E5M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-E5 HydrophobicContact CB-CB 4.39Å; M1-E5 VanDerWaalsContact CB-OE2 3.3Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.1Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å
2S35.8Very low41.5Very low55 Ų55124.4 Ų124.439%0.38563%0.625SS.*  trans-73.6159177.270.10000110.5E4 E5 I6S2-E4 PolarHBondContact O-N 3Å; S2-E4 VanDerWaalsContact O-N 3.09Å; S2-E5 PolarHBondContact N-OE2 2.96Å; S2-E5 PolarHBondContact O-N 3.43Å; S2-E5 PolarHBondContact OG-N 3.22Å; S2-I6 PolarHBondContact O-N 2.84Å
3L42.9Very low41.6Very low127 Ų127127 Ų12767%0.66563%0.634SS**Hα-helixtrans-56.5-21.9173.1-91.4148.2000112.9
4E38.4Very low41.6Very low152 Ų152129.1 Ų129.171%0.7164%0.641SS**Hα-helixtrans-77.2-32.1176.7-68.4-177.9152.600112.6S2 I6 K7S2-E4 PolarHBondContact O-N 3Å; S2-E4 VanDerWaalsContact O-N 3.09Å; E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 2.71Å; E4-K7 PolarHBondContact O-N 3.06Å
5E36.8Very low42Very low97 Ų97130.4 Ų130.445%0.45364%0.644SS.*Hα-helixtrans-74.3-22.1176.1-68.1170.2148.800112.4M1 S2 K7 S8M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-E5 HydrophobicContact CB-CB 4.39Å; M1-E5 VanDerWaalsContact CB-OE2 3.3Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.1Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; S2-E5 PolarHBondContact N-OE2 2.96Å; S2-E5 PolarHBondContact O-N 3.43Å; S2-E5 PolarHBondContact OG-N 3.22Å; E5-K7 VanDerWaalsContact C-N 3.33Å; E5-S8 PolarHBondContact O-OG 3.12Å; E5-S8 VanDerWaalsContact O-OG 3.07Å
6I49.9Very low43.1Very low44 Ų44130.6 Ų130.623%0.22665%0.648CS.*Hα-helixtrans-73.7-28.8173.4-62.6175.2000110.8S2 E4 S8 P97 P253S2-I6 PolarHBondContact O-N 2.84Å; E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 2.71Å; I6-S8 VanDerWaalsContact C-N 3.28Å; I6-S8 PolarHBondContact O-N 3.38Å; I6-P97 HydrophobicContact CD1-CG 3.99Å; I6-P97 HydrophobicContact CG1-CG 4.36Å; I6-P253 HydrophobicContact CG2-CG 4.4Å
7K43.4Very low44.8Very low170 Ų170128.9 Ų128.974%0.73964%0.638SS**THydrogen-bonded Turntrans-70.6-20.4179.1-73179177.21770113.6E4 E5E4-K7 PolarHBondContact O-N 3.06Å; E5-K7 VanDerWaalsContact C-N 3.33Å
8S37.2Very low46.9Very low83 Ų83123.5 Ų123.558%0.5861%0.613SS**THydrogen-bonded Turntrans-93.3-6.3-175.460.40000114.4E5 I6 H10E5-S8 PolarHBondContact O-OG 3.12Å; E5-S8 VanDerWaalsContact O-OG 3.07Å; I6-S8 VanDerWaalsContact C-N 3.28Å; I6-S8 PolarHBondContact O-N 3.38Å; S8-H10 VanDerWaalsContact C-N 3.32Å; S8-H10 PolarHBondContact O-N 3.24Å
9L42.3Very low49.3Very low110 Ų110123.6 Ų123.658%0.57661%0.612SS**  trans-75.685.7172.4-70.5169.2000109.6L11L9-L11 PolarHBondContact O-N 3.41Å
10H41.8Very low51.5Low184 Ų184120.4 Ų120.485%0.85260%0.6SS**  trans-65.883.8158.3-78.661.7000107.9S8 E12S8-H10 VanDerWaalsContact C-N 3.32Å; S8-H10 PolarHBondContact O-N 3.24Å; H10-E12 PolarHBondContact O-N 3.19Å
11L44.7Very low53.6Low142 Ų142120.4 Ų120.474%0.74360%0.596SS**  trans-71.5119.4161.1-81.2151.1000106.5L9 E13L9-L11 PolarHBondContact O-N 3.41Å; L11-E13 PolarHBondContact O-N 3.3Å
12E38.2Very low56Low184 Ų184119.6 Ų119.686%0.8659%0.59SS**  trans-50.8111.2165.2-70.8176.715800107.9H10 Q14H10-E12 PolarHBondContact O-N 3.19Å; E12-Q14 PolarHBondContact O-N 3.48Å
13E43Very low58.9Low158 Ų158117.6 Ų117.674%0.73858%0.576SS**  trans-70.378-179.5-80.1-175.8146.500110L11 H15L11-E13 PolarHBondContact O-N 3.3Å; E13-H15 PolarHBondContact O-N 2.92Å
14Q40.5Very low61.4Low156 Ų156117.3 Ų117.373%0.72958%0.575SS**  trans-72.4108.5145.2-72.2-175.1-1.500106.2E12 L16E12-Q14 PolarHBondContact O-N 3.48Å; Q14-L16 HydrophobicContact CB-CD1 4.12Å; Q14-L16 PolarHBondContact O-N 3.26Å
15H48.5Very low64.2Low149 Ų149112.6 Ų112.669%0.6957%0.567SS**  trans-63.871.6171-75.8-53.7000110.3E13 Q17E13-H15 PolarHBondContact O-N 2.92Å; H15-Q17 PolarHBondContact O-N 3.49Å
16L59Low67.1Low134 Ų134109 Ų10970%0.70255%0.551SS**  trans-71.7112.4167.8-86.5134.6000107.3Q14Q14-L16 HydrophobicContact CB-CD1 4.12Å; Q14-L16 PolarHBondContact O-N 3.26Å
17Q71.6Confident69.3Low102 Ų102108.5 Ų108.548%0.47755%0.548SS..PPolyproline II helixtrans-54.6134.6172.2-73.1-68.4-2700109.6H15 E19H15-Q17 PolarHBondContact O-N 3.49Å; Q17-E19 PolarHBondContact O-N 3.08Å; Q17-E19 VanDerWaalsContact O-N 3.15Å
18P83.5Confident71.8Confident31 Ų31100.4 Ų100.420%0.20151%0.513CS..PPolyproline II helixtrans-57.1121.4175.9-27.336.8000111.2K156 L158P18-K156 WeakPolarHBondContact CG-O 3.48Å; P18-L158 WeakPolarHBondContact CG-O 3.39Å
19E91.4Very high74.5Confident125 Ų12596.8 Ų96.858%0.58449%0.488SS*.PPolyproline II helixtrans-64.7145.4176.8-66.9-176.9-178.200110.8Q17 K30Q17-E19 PolarHBondContact O-N 3.08Å; Q17-E19 VanDerWaalsContact O-N 3.15Å; E19-K30 HydrophobicContact CB-CB 3.81Å; E19-K30 HydrophobicContact CB-CD 3.87Å; E19-K30 HydrophobicContact CB-CG 4.5Å; E19-K30 WeakPolarHBondContact O-CB 3.5Å; E19-K30 PolarHBondContact O-N 3.04Å; E19-K30 WeakPolarHBondContact OE2-CD 3.49Å; E19-K30 WeakPolarHBondContact OE2-CE 3.47Å
20T94.6Very high76.9Confident60 Ų6095 Ų9537%0.36848%0.475SS..EExtended strand (participates in β ladder)trans-126.4155.7177.857.60000111.1M28 P159 L177T20-M28 CarbonylContact C-O 3.56Å; T20-M28 VanDerWaalsContact CA-O 3.26Å; T20-M28 WeakPolarHBondContact CA-O 3.5Å; T20-M28 WeakPolarHBondContact CB-O 3.44Å; T20-P159 HydrophobicContact CG2-CG 3.48Å; T20-P159 VanDerWaalsContact CG2-CG 3.48Å; T20-L177 HydrophobicContact CG2-CD2 3.95Å
21K95.8Very high79.2Confident121 Ų12189 Ų8953%0.52645%0.448SS..EExtended strand (participates in β ladder)trans-147.8147.9176.3-178.9178.4175.9-172.90109.1M28 S33K21-M28 PolarHBondContact N-O 3.27Å; K21-M28 PolarHBondContact O-N 3.37Å; K21-S33 PolarHBondContact O-OG 3.5Å
22E96.9Very high81.6Confident127 Ų12782.8 Ų82.859%0.59342%0.416SS*.EExtended strand (participates in β ladder)trans-83.7134.9172-69.2-176.9-173.700111.1I26 L27E22-I26 WeakPolarHBondContact CA-O 3.43Å; E22-L27 HydrophobicContact CG-CD1 4.18Å
23V97.2Very high84.3Confident14 Ų1474.5 Ų74.59%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-121.2118.7169178.40000106.9G25 I26 M28 W36 M122V23-G25 PolarHBondContact O-N 3.42Å; V23-I26 PolarHBondContact N-O 2.84Å; V23-I26 PolarHBondContact O-N 3.23Å; V23-M28 HydrophobicContact CB-SD 4.08Å; V23-M28 HydrophobicContact CG2-SD 4.13Å; V23-W36 HydrophobicContact CG1-CB 4.35Å; V23-W36 VanDerWaalsContact CG1-CD1 3.41Å; V23-W36 HydrophobicContact CG1-CD2 3.57Å; V23-W36 HydrophobicContact CG1-CE3 4.34Å; V23-W36 HydrophobicContact CG1-CG 3.5Å; V23-W36 HydrophobicContact CG1-CZ2 4.32Å; V23-W36 HydrophobicContact CG2-CB 4.45Å; V23-W36 HydrophobicContact CG2-CG 4.4Å; V23-M122 HydrophobicContact CB-CE 4.01Å; V23-M122 HydrophobicContact CG1-CE 3.79Å
24N95.4Very high86.7Confident121 Ų12171.3 Ų71.365%0.64737%0.366SS*.THydrogen-bonded Turntrans51.437.7-175.5-60.7-22.4000113.4I26N24-I26 VanDerWaalsContact C-N 3.28Å; N24-I26 PolarHBondContact O-N 3.31Å
25G96Very high89.3Confident52 Ų5265.8 Ų65.854%0.53634%0.341SS..THydrogen-bonded Turntrans76.47.6-179.100000115.1V23V23-G25 PolarHBondContact O-N 3.42Å
26I97.9Very high91.6Very high23 Ų2359.6 Ų59.612%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-108.3125.7176.8-56.6-59.6000109.3E22 V23 N24 M28 P119 M122E22-I26 WeakPolarHBondContact CA-O 3.43Å; V23-I26 PolarHBondContact N-O 2.84Å; V23-I26 PolarHBondContact O-N 3.23Å; N24-I26 VanDerWaalsContact C-N 3.28Å; N24-I26 PolarHBondContact O-N 3.31Å; I26-M28 PolarHBondContact O-N 3.16Å; I26-P119 HydrophobicContact CD1-CG 4.44Å; I26-P119 HydrophobicContact CG1-CG 4.11Å; I26-P119 HydrophobicContact CG2-CG 4.43Å; I26-M122 HydrophobicContact CB-CE 4.44Å; I26-M122 HydrophobicContact CB-SD 3.55Å; I26-M122 VanDerWaalsContact CB-SD 3.55Å; I26-M122 HydrophobicContact CG1-SD 3.45Å; I26-M122 WeakPolarHBondContact CG1-SD 3.25Å; I26-M122 HydrophobicContact CG2-SD 4.01Å
27L97Very high93.4Very high32 Ų3259.1 Ų59.117%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-68.5127.5178.7-167.569.4000110.3E22 K175 L177 W178E22-L27 HydrophobicContact CG-CD1 4.18Å; L27-K175 WeakPolarHBondContact CD2-O 3.48Å; L27-L177 HydrophobicContact CD2-CD2 4.46Å; L27-L177 HydrophobicContact CG-CD2 4.24Å; L27-L177 CarbonylContact O-C 3.59Å; L27-L177 WeakPolarHBondContact O-CA 3.38Å; L27-W178 PolarHBondContact O-N 3.36Å
28M95.6Very high94.6Very high1 Ų161 Ų611%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-132.8162176.4-60.6-169.885.900109.6T20 K21 V23 I26 M32 S33 W36 E91 L118 M122T20-M28 CarbonylContact C-O 3.56Å; T20-M28 VanDerWaalsContact CA-O 3.26Å; T20-M28 WeakPolarHBondContact CA-O 3.5Å; T20-M28 WeakPolarHBondContact CB-O 3.44Å; K21-M28 PolarHBondContact N-O 3.27Å; K21-M28 PolarHBondContact O-N 3.37Å; V23-M28 HydrophobicContact CB-SD 4.08Å; V23-M28 HydrophobicContact CG2-SD 4.13Å; I26-M28 PolarHBondContact O-N 3.16Å; M28-M32 HydrophobicContact CB-CB 4.21Å; M28-M32 HydrophobicContact CE-CB 3.87Å; M28-M32 HydrophobicContact CE-SD 4.23Å; M28-S33 WeakPolarHBondContact CB-OG 3.35Å; M28-W36 HydrophobicContact CE-CE3 4.35Å; M28-W36 HydrophobicContact CE-CZ3 4.24Å; M28-W36 HydrophobicContact SD-CE3 4.06Å; M28-W36 HydrophobicContact SD-CZ3 4.24Å; M28-E91 HydrophobicContact CE-CB 4.33Å; M28-E91 HydrophobicContact CE-CG 4.43Å; M28-L118 HydrophobicContact CE-CD2 3.7Å; M28-M122 HydrophobicContact SD-CE 3.76Å
29S93.8Very high95.2Very high6 Ų659.5 Ų59.54%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-66.415416979.80000109.4M31 M32 S33S29-M31 VanDerWaalsContact C-N 3.27Å; S29-M31 PolarHBondContact O-N 3.11Å; S29-M32 PolarHBondContact O-N 3.1Å; S29-M32 VanDerWaalsContact O-N 3.13Å; S29-M32 WeakPolarHBondContact OG-CG 3.3Å; S29-M32 PolarHBondContact OG-N 3.26Å; S29-S33 PolarHBondContact O-N 2.84Å; S29-S33 PolarHBondContact O-OG 2.93Å
30K92.8Very high95.6Very high73 Ų7357.7 Ų57.732%0.31730%0.295SS..Hα-helixtrans-57.5-42.1179.9179.9174.1-175-27.60111.9E19 M32 S33 D34E19-K30 HydrophobicContact CB-CB 3.81Å; E19-K30 HydrophobicContact CB-CD 3.87Å; E19-K30 HydrophobicContact CB-CG 4.5Å; E19-K30 WeakPolarHBondContact O-CB 3.5Å; E19-K30 PolarHBondContact O-N 3.04Å; E19-K30 WeakPolarHBondContact OE2-CD 3.49Å; E19-K30 WeakPolarHBondContact OE2-CE 3.47Å; K30-M32 VanDerWaalsContact C-N 3.32Å; K30-M32 PolarHBondContact O-N 2.98Å; K30-S33 WeakPolarHBondContact O-CB 3.44Å; K30-S33 PolarHBondContact O-N 2.93Å; K30-S33 VanDerWaalsContact O-N 3.14Å; K30-D34 WeakPolarHBondContact CG-OD2 3.43Å; K30-D34 IonicContact NZ-OD1 3.06Å; K30-D34 PolarHBondContact NZ-OD1 3.32Å; K30-D34 IonicContact NZ-OD2 2.62Å; K30-D34 PolarHBondContact NZ-OD2 2.75Å; K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 PolarHBondContact O-N 3.32Å
31M90.8Very high95.7Very high58 Ų5859.7 Ų59.729%0.28630%0.304SS..Hα-helixtrans-61.3-38.6177.9-70.5179.6-74.100113.1S29 N35 T93 M157S29-M31 VanDerWaalsContact C-N 3.27Å; S29-M31 PolarHBondContact O-N 3.11Å; M31-N35 PolarHBondContact O-N 2.79Å; M31-N35 PolarHBondContact O-ND2 3.12Å; M31-T93 HydrophobicContact CB-CG2 3.84Å; M31-M157 HydrophobicContact CE-CE 3.17Å; M31-M157 HydrophobicContact SD-CE 4.32Å
32M94Very high95.9Very high11 Ų1154.2 Ų54.25%0.05428%0.28CS..Hα-helixtrans-67.1-44.1174.2-62.3175.1179.300110.7M28 S29 K30 N35 W36 E91 W178M28-M32 HydrophobicContact CB-CB 4.21Å; M28-M32 HydrophobicContact CE-CB 3.87Å; M28-M32 HydrophobicContact CE-SD 4.23Å; S29-M32 PolarHBondContact O-N 3.1Å; S29-M32 VanDerWaalsContact O-N 3.13Å; S29-M32 WeakPolarHBondContact OG-CG 3.3Å; S29-M32 PolarHBondContact OG-N 3.26Å; K30-M32 VanDerWaalsContact C-N 3.32Å; K30-M32 PolarHBondContact O-N 2.98Å; M32-N35 CarbonylContact O-C 3.52Å; M32-N35 PolarHBondContact O-N 3.48Å; M32-W36 PolarHBondContact O-N 2.94Å; M32-W36 VanDerWaalsContact O-N 3.16Å; M32-E91 VanDerWaalsContact CG-O 3.3Å; M32-E91 WeakPolarHBondContact CG-O 3.11Å; M32-E91 HydrophobicContact SD-CG 4.47Å; M32-W178 HydrophobicContact CE-CZ2 4.07Å; M32-W178 HydrophobicContact SD-CZ2 4.49Å
33S94.9Very high95.9Very high10 Ų1054.1 Ų54.17%0.0728%0.279CS..Hα-helixtrans-65.4-40.6-178.1-51.90000112.5K21 M28 S29 K30 N35 W36K21-S33 PolarHBondContact O-OG 3.5Å; M28-S33 WeakPolarHBondContact CB-OG 3.35Å; S29-S33 PolarHBondContact O-N 2.84Å; S29-S33 PolarHBondContact O-OG 2.93Å; K30-S33 WeakPolarHBondContact O-CB 3.44Å; K30-S33 PolarHBondContact O-N 2.93Å; K30-S33 VanDerWaalsContact O-N 3.14Å; S33-N35 PolarHBondContact O-N 3.32Å; S33-W36 WeakPolarHBondContact O-CB 3.37Å; S33-W36 PolarHBondContact O-N 2.85Å
34D94.1Very high96Very high92 Ų9253.9 Ų53.949%0.49228%0.279SS..Hα-helixtrans-66.3-27.4177.8-68.7-15.3000111.7K30K30-D34 WeakPolarHBondContact CG-OD2 3.43Å; K30-D34 IonicContact NZ-OD1 3.06Å; K30-D34 PolarHBondContact NZ-OD1 3.32Å; K30-D34 IonicContact NZ-OD2 2.62Å; K30-D34 PolarHBondContact NZ-OD2 2.75Å; K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 PolarHBondContact O-N 3.32Å
35N93.9Very high96.1Very high39 Ų3951.1 Ų51.121%0.20926%0.261CS..THydrogen-bonded Turntrans-95.77.3176.1-78.4-44.5000113.6M31 M32 S33 D37 K38 I39 T93M31-N35 PolarHBondContact O-N 2.79Å; M31-N35 PolarHBondContact O-ND2 3.12Å; M32-N35 CarbonylContact O-C 3.52Å; M32-N35 PolarHBondContact O-N 3.48Å; S33-N35 PolarHBondContact O-N 3.32Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact O-N 3.18Å; N35-K38 WeakPolarHBondContact O-CB 3.46Å; N35-K38 PolarHBondContact O-N 3.14Å; N35-I39 HydrophobicContact CB-CD1 4.38Å; N35-I39 PolarHBondContact O-N 3.06Å; N35-I39 VanDerWaalsContact O-N 3.14Å; N35-T93 WeakPolarHBondContact ND2-CG2 3.38Å; N35-T93 PolarHBondContact ND2-OG1 3.1Å; N35-T93 VanDerWaalsContact ND2-OG1 3.15Å
36W96.9Very high96.2Very high20 Ų2053.4 Ų53.48%0.07627%0.266CS..Hα-helixtrans-56-43.7-170.4-179.1-113.5000113.7V23 M28 M32 S33 K38 I39 W40 L118 M122V23-W36 HydrophobicContact CG1-CB 4.35Å; V23-W36 VanDerWaalsContact CG1-CD1 3.41Å; V23-W36 HydrophobicContact CG1-CD2 3.57Å; V23-W36 HydrophobicContact CG1-CE3 4.34Å; V23-W36 HydrophobicContact CG1-CG 3.5Å; V23-W36 HydrophobicContact CG1-CZ2 4.32Å; V23-W36 HydrophobicContact CG2-CB 4.45Å; V23-W36 HydrophobicContact CG2-CG 4.4Å; M28-W36 HydrophobicContact CE-CE3 4.35Å; M28-W36 HydrophobicContact CE-CZ3 4.24Å; M28-W36 HydrophobicContact SD-CE3 4.06Å; M28-W36 HydrophobicContact SD-CZ3 4.24Å; M32-W36 PolarHBondContact O-N 2.94Å; M32-W36 VanDerWaalsContact O-N 3.16Å; S33-W36 WeakPolarHBondContact O-CB 3.37Å; S33-W36 PolarHBondContact O-N 2.85Å; W36-K38 PolarHBondContact O-N 3.36Å; W36-I39 HydrophobicContact CE3-CB 4.1Å; W36-I39 HydrophobicContact CE3-CD1 4.2Å; W36-I39 HydrophobicContact CE3-CG2 4.15Å; W36-I39 HydrophobicContact CH2-CG2 4.49Å; W36-I39 HydrophobicContact CZ3-CB 4.22Å; W36-I39 HydrophobicContact CZ3-CG2 3.76Å; W36-I39 WeakPolarHBondContact O-CB 3.35Å; W36-I39 PolarHBondContact O-N 3.4Å; W36-W40 HydrophobicContact CH2-CE3 4.27Å; W36-W40 HydrophobicContact CZ2-CB 4.31Å; W36-W40 HydrophobicContact CZ2-CD2 4.39Å; W36-W40 AromaticContact CZ2-CE3 3.66Å; W36-W40 HydrophobicContact CZ2-CE3 3.66Å; W36-W40 HydrophobicContact CZ2-CZ3 4.4Å; W36-W40 WeakPolarHBondContact O-CB 3.49Å; W36-W40 PolarHBondContact O-N 3.11Å; W36-L118 HydrophobicContact CH2-CD1 4.18Å; W36-L118 HydrophobicContact CH2-CD2 4.11Å; W36-L118 HydrophobicContact CZ3-CD1 4.08Å; W36-L118 HydrophobicContact CZ3-CD2 3.75Å; W36-M122 HydrophobicContact CD2-CE 4.38Å; W36-M122 HydrophobicContact CE3-CE 4.17Å; W36-M122 HydrophobicContact CH2-CB 3.78Å; W36-M122 HydrophobicContact CH2-CE 3.35Å; W36-M122 HydrophobicContact CH2-CG 4.29Å; W36-M122 WeakPolarHBondContact CH2-O 3.37Å; W36-M122 HydrophobicContact CZ2-CB 4.2Å; W36-M122 HydrophobicContact CZ2-CE 3.52Å; W36-M122 HydrophobicContact CZ2-CG 4.34Å; W36-M122 HydrophobicContact CZ3-CE 3.69Å
37D97Very high96.2Very high124 Ų12455.9 Ų55.966%0.66328%0.28SS*.Hα-helixtrans-59.7-34.9179.9-69.7-22000112.2N35 N41N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact O-N 3.18Å; D37-N41 WeakPolarHBondContact O-CB 3.19Å; D37-N41 PolarHBondContact O-N 3.48Å; D37-N41 VanDerWaalsContact O-N 3.16Å; D37-N41 PolarHBondContact O-ND2 3.22Å
38K96.7Very high96.3Very high140 Ų14054.5 Ų54.561%0.60927%0.273SS*.Hα-helixtrans-73-37.4176.1-62.2177.4-176.4166.90111.7N35 W36 F42 L102N35-K38 WeakPolarHBondContact O-CB 3.46Å; N35-K38 PolarHBondContact O-N 3.14Å; W36-K38 PolarHBondContact O-N 3.36Å; K38-F42 PolarHBondContact O-N 3.36Å; K38-L102 HydrophobicContact CB-CD1 3.71Å
39I97.4Very high96.4Very high1 Ų154.8 Ų54.81%0.00527%0.274CS..Hα-helixtrans-64.7-52.8177.4-62.7163.9000109.3N35 W36 N41 F42 E91 L102 L118 P124N35-I39 HydrophobicContact CB-CD1 4.38Å; N35-I39 PolarHBondContact O-N 3.06Å; N35-I39 VanDerWaalsContact O-N 3.14Å; W36-I39 HydrophobicContact CE3-CB 4.1Å; W36-I39 HydrophobicContact CE3-CD1 4.2Å; W36-I39 HydrophobicContact CE3-CG2 4.15Å; W36-I39 HydrophobicContact CH2-CG2 4.49Å; W36-I39 HydrophobicContact CZ3-CB 4.22Å; W36-I39 HydrophobicContact CZ3-CG2 3.76Å; W36-I39 WeakPolarHBondContact O-CB 3.35Å; W36-I39 PolarHBondContact O-N 3.4Å; I39-N41 VanDerWaalsContact C-N 3.29Å; I39-N41 PolarHBondContact O-N 2.87Å; I39-F42 WeakPolarHBondContact O-CB 3.36Å; I39-F42 PolarHBondContact O-N 3.37Å; I39-E91 HydrophobicContact CD1-CB 3.78Å; I39-E91 HydrophobicContact CG1-CB 4.5Å; I39-E91 HydrophobicContact CG2-CB 4.33Å; I39-L102 HydrophobicContact CG1-CD1 3.72Å; I39-L102 HydrophobicContact CG1-CG 4.29Å; I39-L118 HydrophobicContact CG2-CD1 3.94Å; I39-P124 VanDerWaalsContact O-CG 3.22Å; I39-P124 WeakPolarHBondContact O-CG 3.49Å
40W98.1Very high96.7Very high86 Ų8654.5 Ų54.533%0.32627%0.272SS..Hα-helixtrans-59.1-38.3-179.6-177.5-104.1000112.9W36 F42 L123 P125W36-W40 HydrophobicContact CH2-CE3 4.27Å; W36-W40 HydrophobicContact CZ2-CB 4.31Å; W36-W40 HydrophobicContact CZ2-CD2 4.39Å; W36-W40 AromaticContact CZ2-CE3 3.66Å; W36-W40 HydrophobicContact CZ2-CE3 3.66Å; W36-W40 HydrophobicContact CZ2-CZ3 4.4Å; W36-W40 WeakPolarHBondContact O-CB 3.49Å; W36-W40 PolarHBondContact O-N 3.11Å; W40-F42 VanDerWaalsContact C-N 3.31Å; W40-F42 PolarHBondContact O-N 3.09Å; W40-L123 WeakPolarHBondContact CZ3-O 3.33Å; W40-P125 HydrophobicContact CD2-CG 4.41Å; W40-P125 HydrophobicContact CH2-CG 3.82Å; W40-P125 HydrophobicContact CZ2-CG 3.43Å; W40-P125 VanDerWaalsContact CZ2-CG 3.43Å; W40-P125 HydrophobicContact CZ3-CG 4.42Å; W40-P125 WeakPolarHBondContact O-CD 3.35Å
41N98.2Very high97Very high103 Ų10351 Ų5155%0.55126%0.257SS*.THydrogen-bonded Turntrans-88.310.9178.4-68.5-66.2000114.1D37 I39 Q43D37-N41 WeakPolarHBondContact O-CB 3.19Å; D37-N41 PolarHBondContact O-N 3.48Å; D37-N41 VanDerWaalsContact O-N 3.16Å; D37-N41 PolarHBondContact O-ND2 3.22Å; I39-N41 VanDerWaalsContact C-N 3.29Å; I39-N41 PolarHBondContact O-N 2.87Å; N41-Q43 PolarHBondContact O-N 3.05Å; N41-Q43 PolarHBondContact O-NE2 3.47Å
42F98.5Very high97.4Very high6 Ų648.2 Ų48.23%0.02624%0.243CC..  trans-54.2141175.4177.7-100.6000111.1K38 I39 W40 L90 L102 A105 L114 P124 S126 F127K38-F42 PolarHBondContact O-N 3.36Å; I39-F42 WeakPolarHBondContact O-CB 3.36Å; I39-F42 PolarHBondContact O-N 3.37Å; W40-F42 VanDerWaalsContact C-N 3.31Å; W40-F42 PolarHBondContact O-N 3.09Å; F42-L90 HydrophobicContact CD1-CD2 4.14Å; F42-L90 HydrophobicContact CD2-CD2 4.18Å; F42-L90 HydrophobicContact CE1-CD2 3.95Å; F42-L90 HydrophobicContact CE2-CD2 3.99Å; F42-L90 HydrophobicContact CG-CD2 4.24Å; F42-L90 HydrophobicContact CZ-CD2 3.86Å; F42-L102 HydrophobicContact CB-CD2 4.24Å; F42-L102 HydrophobicContact CD2-CD2 3.67Å; F42-L102 HydrophobicContact CE2-CD2 4.43Å; F42-L102 HydrophobicContact CG-CD2 4.26Å; F42-A105 HydrophobicContact CE2-CB 3.76Å; F42-A105 HydrophobicContact CZ-CB 4Å; F42-L114 HydrophobicContact CE1-CD1 3.81Å; F42-L114 HydrophobicContact CZ-CD1 3.81Å; F42-P124 HydrophobicContact CB-CB 4.23Å; F42-P124 HydrophobicContact CB-CG 4.25Å; F42-S126 WeakPolarHBondContact O-CB 3.35Å; F42-S126 PolarHBondContact O-OG 3.4Å; F42-F127 AromaticContact CD1-CE2 3.82Å; F42-F127 HydrophobicContact CD1-CE2 3.82Å; F42-F127 AromaticContact CD1-CZ 3.92Å; F42-F127 HydrophobicContact CD1-CZ 3.92Å; F42-F127 HydrophobicContact CE1-CE2 4.09Å; F42-F127 AromaticContact CE1-CZ 3.69Å; F42-F127 HydrophobicContact CE1-CZ 3.69Å
43Q98.3Very high97.6Very high124 Ų12447.7 Ų47.758%0.57924%0.241SC*.  trans-101.8100.2179.6-59.3-59.5-63.300109.8N41 R112N41-Q43 PolarHBondContact O-N 3.05Å; N41-Q43 PolarHBondContact O-NE2 3.47Å; Q43-R112 PolarHBondContact O-NH2 3.19Å
44A98.5Very high97.8Very high10 Ų1047.3 Ų47.38%0.08324%0.238CC..  trans-62154.5166.200000110.5D48 S126 F127 E130A44-D48 WeakPolarHBondContact CA-OD2 3.35Å; A44-S126 PolarHBondContact N-OG 3.46Å; A44-F127 HydrophobicContact CB-CD1 3.67Å; A44-F127 HydrophobicContact CB-CD2 4.37Å; A44-F127 HydrophobicContact CB-CE1 3.82Å; A44-F127 HydrophobicContact CB-CG 3.95Å; A44-F127 HydrophobicContact CB-CZ 4.23Å; A44-E130 HydrophobicContact CB-CG 4.41Å
45K98.3Very high98Very high63 Ų6343 Ų4327%0.27422%0.215SC..  trans-110.3155.9173.1-66.1172.7-170.4173.70109.5D47 D48 M108 S110K45-D47 PolarHBondContact O-N 2.6Å; K45-D47 VanDerWaalsContact O-N 3.11Å; K45-D48 PolarHBondContact N-OD2 3.14Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.23Å; K45-D48 VanDerWaalsContact O-N 3.1Å; K45-M108 PolarHBondContact NZ-O 2.94Å; K45-S110 WeakPolarHBondContact CD-OG 3.42Å; K45-S110 PolarHBondContact NZ-OG 3.47Å
46P97.5Very high98.2Very high99 Ų9942.4 Ų42.464%0.64321%0.21SC*.THydrogen-bonded Turntrans-56.3-28.7179.5-25.532.4000114.5E130P46-E130 WeakPolarHBondContact CG-OE2 3.43Å
47D97.9Very high98.3Very high75 Ų7541.4 Ų41.440%0.40121%0.207SC..THydrogen-bonded Turntrans-102.513.2-17770.9-26.9000114K45 S110 P111K45-D47 PolarHBondContact O-N 2.6Å; K45-D47 VanDerWaalsContact O-N 3.11Å; D47-S110 PolarHBondContact OD1-OG 2.96Å; D47-S110 WeakPolarHBondContact OD2-CB 3.35Å; D47-S110 PolarHBondContact OD2-OG 3.24Å; D47-P111 HydrophobicContact CB-CB 4.39Å; D47-P111 WeakPolarHBondContact OD2-CA 3.21Å
48D98.6Very high98.3Very high3 Ų336.1 Ų36.12%0.01618%0.182CC..  trans-72.3141.1172.7-72.9-17.7000111.6A44 K45 R112 F127A44-D48 WeakPolarHBondContact CA-OD2 3.35Å; K45-D48 PolarHBondContact N-OD2 3.14Å; K45-D48 WeakPolarHBondContact O-CB 3.49Å; K45-D48 PolarHBondContact O-N 3.23Å; K45-D48 VanDerWaalsContact O-N 3.1Å; D48-R112 WeakPolarHBondContact CA-O 3.15Å; D48-R112 WeakPolarHBondContact OD1-CB 3.43Å; D48-R112 IonicContact OD1-CZ 2.91Å; D48-R112 IonicContact OD1-NE 2.71Å; D48-R112 PolarHBondContact OD1-NE 2.97Å; D48-R112 IonicContact OD1-NH2 2.6Å; D48-R112 PolarHBondContact OD1-NH2 2.89Å; D48-R112 IonicContact OD2-CZ 2.8Å; D48-R112 IonicContact OD2-NE 2.79Å; D48-R112 PolarHBondContact OD2-NE 2.59Å; D48-R112 IonicContact OD2-NH2 3.61Å; D48-R112 PolarHBondContact OD2-NH2 2.8Å; D48-F127 HydrophobicContact CB-CE1 4.49Å
49L98.9Very high98.4Very high7 Ų729.8 Ų29.84%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-108.3128.1164.4175.366.2000109.1V66 R112 T113 L114 K133 I135 F219 L220L49-V66 HydrophobicContact CD2-CG1 3.39Å; L49-V66 HydrophobicContact CD2-CG2 4.38Å; L49-R112 PolarHBondContact N-O 3.13Å; L49-T113 HydrophobicContact CD2-CG2 3.99Å; L49-T113 HydrophobicContact CG-CG2 4.3Å; L49-T113 CarbonylContact O-C 3.58Å; L49-T113 WeakPolarHBondContact O-CA 3.34Å; L49-L114 PolarHBondContact O-N 2.87Å; L49-K133 HydrophobicContact CD1-CB 3.76Å; L49-I135 HydrophobicContact CD1-CD1 4.13Å; L49-I135 HydrophobicContact CD1-CG1 4.14Å; L49-I135 HydrophobicContact CD2-CD1 4.44Å; L49-F219 HydrophobicContact CD1-CE1 4.38Å; L49-L220 HydrophobicContact CD1-CD2 3.92Å; L49-L220 HydrophobicContact CD2-CD2 3.56Å; L49-L220 HydrophobicContact CG-CD2 4.37Å
50L98.9Very high98.5Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-106.8129.4174.5-175.769.2000110.9L90 L114 T116 L123 F127 K133 I134 I135 W188L50-L90 HydrophobicContact CD1-CD1 3.96Å; L50-L114 HydrophobicContact CD1-CB 4.03Å; L50-T116 HydrophobicContact CD1-CG2 3.88Å; L50-T116 HydrophobicContact CD2-CG2 3.97Å; L50-T116 HydrophobicContact CG-CG2 4.14Å; L50-L123 HydrophobicContact CD2-CD1 3.45Å; L50-L123 VanDerWaalsContact CD2-CD1 3.45Å; L50-L123 HydrophobicContact CD2-CD2 4.04Å; L50-L123 HydrophobicContact CD2-CG 4.39Å; L50-F127 HydrophobicContact CB-CD1 4.37Å; L50-F127 HydrophobicContact CB-CE1 4.17Å; L50-F127 HydrophobicContact CD1-CE1 4.21Å; L50-F127 HydrophobicContact CD1-CZ 4.08Å; L50-F127 HydrophobicContact CD2-CD1 4.26Å; L50-F127 HydrophobicContact CD2-CE1 4.37Å; L50-F127 HydrophobicContact CD2-CG 4.37Å; L50-F127 HydrophobicContact CG-CE1 4.49Å; L50-K133 PolarHBondContact N-O 3.35Å; L50-I134 HydrophobicContact CB-CG1 4.16Å; L50-I134 HydrophobicContact CB-CG2 4.33Å; L50-I134 HydrophobicContact CD2-CD1 4.24Å; L50-I134 HydrophobicContact CD2-CG1 4.32Å; L50-I134 HydrophobicContact CD2-CG2 4.26Å; L50-I134 HydrophobicContact CG-CG2 4.45Å; L50-I134 CarbonylContact O-C 3.52Å; L50-I134 VanDerWaalsContact O-CA 3.28Å; L50-I134 WeakPolarHBondContact O-CA 3.27Å; L50-I135 PolarHBondContact O-N 3Å; L50-W188 HydrophobicContact CD2-CH2 4.38Å
51I98.9Very high98.5Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-101.9108.5168.3-60.4171.8000107.8T59 T62 Q63 V66 T113 L114 K115 T116 I135I51-T59 HydrophobicContact CG2-CG2 3.88Å; I51-T62 HydrophobicContact CD1-CG2 4.35Å; I51-T62 HydrophobicContact CG2-CG2 4.01Å; I51-Q63 HydrophobicContact CD1-CB 4.31Å; I51-Q63 HydrophobicContact CD1-CG 3.71Å; I51-V66 HydrophobicContact CD1-CB 4.22Å; I51-V66 HydrophobicContact CD1-CG1 4.47Å; I51-V66 HydrophobicContact CD1-CG2 4.06Å; I51-T113 HydrophobicContact CD1-CG2 3.79Å; I51-T113 HydrophobicContact CG1-CG2 4.27Å; I51-L114 PolarHBondContact N-O 3.1Å; I51-K115 WeakPolarHBondContact O-CA 3.42Å; I51-T116 PolarHBondContact O-N 3.36Å; I51-I135 WeakPolarHBondContact CA-O 3.44Å
52A98.9Very high98.6Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-109.9136.5-178.500000110.3T116 I134 I135 Y136 V137 W188A52-T116 HydrophobicContact CB-CG2 3.92Å; A52-I134 HydrophobicContact CB-CG2 4.06Å; A52-I135 PolarHBondContact N-O 3.48Å; A52-Y136 HydrophobicContact CB-CD2 3.87Å; A52-Y136 VanDerWaalsContact O-CA 3.25Å; A52-Y136 WeakPolarHBondContact O-CA 3.37Å; A52-Y136 WeakPolarHBondContact O-CD2 3.4Å; A52-V137 PolarHBondContact O-N 3.16Å; A52-V137 VanDerWaalsContact O-N 3.13Å; A52-W188 HydrophobicContact CB-CH2 3.64Å; A52-W188 HydrophobicContact CB-CZ2 3.55Å; A52-W188 HydrophobicContact CB-CZ3 4.22Å
53T98.9Very high98.6Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-154.4150.6178.750.70000109.5T59 T116 H117 V137T53-T59 HydrophobicContact CG2-CG2 4.01Å; T53-T59 VanDerWaalsContact OG1-CG2 3.28Å; T53-T59 WeakPolarHBondContact OG1-CG2 3.35Å; T53-T59 PolarHBondContact OG1-OG1 3.1Å; T53-T116 PolarHBondContact N-O 3.23Å; T53-H117 WeakPolarHBondContact O-CA 3.4Å; T53-H117 PolarHBondContact O-ND1 3.14Å; T53-H117 PolarHBondContact OG1-CE1 2.76Å; T53-H117 PolarHBondContact OG1-ND1 3.46Å; T53-H117 VanDerWaalsContact OG1-ND1 3.11Å; T53-V137 HydrophobicContact CG2-CB 3.75Å; T53-V137 HydrophobicContact CG2-CG2 4.34Å; T53-V137 WeakPolarHBondContact CG2-O 3.23Å
54Y98.8Very high98.6Very high1 Ų116.7 Ų16.70%0.0049%0.093CC..SBendtrans-63152.5155.7-173.8-98.1000109.2K56 A57 Y148 F171 V176 G179 W181 H184Y54-K56 PolarHBondContact O-N 3.04Å; Y54-A57 WeakPolarHBondContact O-CB 3.37Å; Y54-A57 PolarHBondContact O-N 2.78Å; Y54-Y148 AromaticContact CE1-CD1 4Å; Y54-Y148 HydrophobicContact CE1-CD1 4Å; Y54-Y148 HydrophobicContact CE1-CE1 4.2Å; Y54-F171 AromaticContact CE1-CE2 3.83Å; Y54-F171 HydrophobicContact CE1-CE2 3.83Å; Y54-F171 HydrophobicContact CE1-CZ 4.23Å; Y54-F171 WeakPolarHBondContact OH-CE2 3.46Å; Y54-V176 WeakPolarHBondContact OH-CG2 2.96Å; Y54-G179 PolarHBondContact OH-O 2.93Å; Y54-W181 HydrophobicContact CD1-CB 4.38Å; Y54-W181 AromaticContact CD1-CD1 3.51Å; Y54-W181 HydrophobicContact CD1-CG 4.33Å; Y54-W181 HydrophobicContact CD2-CB 4.45Å; Y54-W181 HydrophobicContact CE1-CB 4.04Å; Y54-W181 AromaticContact CE1-CD1 3.85Å; Y54-W181 HydrophobicContact CE1-CG 4.37Å; Y54-W181 HydrophobicContact CE2-CB 4.12Å; Y54-W181 AromaticContact CG-CD1 3.87Å; Y54-H184 HydrophobicContact CD2-CB 3.83Å; Y54-H184 AromaticContact CD2-CD2 3.81Å; Y54-H184 AromaticContact CD2-CG 3.75Å; Y54-H184 PolarHBondContact N-CE1 3.44Å
55A98Very high98.6Very high1 Ų116.3 Ų16.31%0.0089%0.09CC..THydrogen-bonded Turntrans-52135.317900000111.3A57 Y148 W178A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 2.99Å; A55-Y148 HydrophobicContact CB-CD1 4.19Å; A55-Y148 HydrophobicContact CB-CE1 3.82Å; A55-Y148 HydrophobicContact CB-CE2 4.29Å; A55-W178 HydrophobicContact CB-CE3 3.64Å; A55-W178 HydrophobicContact CB-CZ3 3.67Å
56K98.6Very high98.7Very high27 Ų2713.3 Ų13.312%0.1178%0.077CC..THydrogen-bonded Turntrans69.418.4175.9-40-51.6-61.8-178.40116.3Y54 R139 Y148 F151Y54-K56 PolarHBondContact O-N 3.04Å; K56-R139 PolarHBondContact O-NH1 3.33Å; K56-Y148 HydrophobicContact CG-CD2 4.1Å; K56-Y148 HydrophobicContact CG-CG 4Å; K56-F151 HydrophobicContact CD-CB 3.81Å; K56-F151 HydrophobicContact CD-CD1 3.75Å; K56-F151 HydrophobicContact CD-CD2 4.38Å; K56-F151 HydrophobicContact CD-CE1 4.37Å; K56-F151 HydrophobicContact CD-CG 3.73Å; K56-F151 HydrophobicContact CG-CB 4.49Å
57A98.6Very high98.7Very high0 Ų08.6 Ų8.60%05%0.046CC..SBendtrans-89.211.5175.800000115.4Y54 A55 V137 R139Y54-A57 WeakPolarHBondContact O-CB 3.37Å; Y54-A57 PolarHBondContact O-N 2.78Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 2.99Å; A57-V137 WeakPolarHBondContact CB-O 3.42Å; A57-V137 WeakPolarHBondContact O-CG1 3.43Å; A57-R139 HydrophobicContact CB-CB 3.76Å
58G98.2Very high98.7Very high13 Ų135.3 Ų5.313%0.1343%0.028CC..SBendtrans103.225.2177.700000115.7T60 W61 T62G58-T60 PolarHBondContact O-N 3.47Å; G58-W61 WeakPolarHBondContact O-CB 3.17Å; G58-W61 PolarHBondContact O-N 3.45Å; G58-T62 PolarHBondContact O-N 3.17Å; G58-T62 VanDerWaalsContact O-N 3.07Å; G58-T62 PolarHBondContact O-OG1 3.18Å
59T98.8Very high98.7Very high7 Ų75.1 Ų5.14%0.0433%0.028CC..Hα-helixtrans-57.8-51.3-177-25.90000113.3I51 T53 W61 T62 Q63 K115 H117I51-T59 HydrophobicContact CG2-CG2 3.88Å; T53-T59 HydrophobicContact CG2-CG2 4.01Å; T53-T59 VanDerWaalsContact OG1-CG2 3.28Å; T53-T59 WeakPolarHBondContact OG1-CG2 3.35Å; T53-T59 PolarHBondContact OG1-OG1 3.1Å; T59-W61 VanDerWaalsContact C-N 3.26Å; T59-W61 PolarHBondContact O-N 2.93Å; T59-T62 WeakPolarHBondContact O-CB 3.33Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 VanDerWaalsContact O-N 3.12Å; T59-Q63 WeakPolarHBondContact O-CG 3.27Å; T59-Q63 PolarHBondContact O-N 3.28Å; T59-K115 HydrophobicContact CG2-CD 3.57Å; T59-K115 HydrophobicContact CG2-CG 3.67Å; T59-H117 PolarHBondContact OG1-CE1 3.24Å; T59-H117 VanDerWaalsContact OG1-CE1 3.25Å
60T98.8Very high98.7Very high10 Ų107.4 Ų7.46%0.0614%0.038CC..Hα-helixtrans-61.8-36.4-179.3-52.90000112G58 Q63 E64 T83 M241 A247 Y249 F264 M265G58-T60 PolarHBondContact O-N 3.47Å; T60-Q63 PolarHBondContact O-N 3.26Å; T60-E64 WeakPolarHBondContact O-CG 3.37Å; T60-E64 PolarHBondContact O-N 3.49Å; T60-T83 HydrophobicContact CG2-CG2 4.11Å; T60-M241 HydrophobicContact CG2-CE 3.96Å; T60-A247 HydrophobicContact CG2-CB 4.48Å; T60-A247 WeakPolarHBondContact CG2-O 3.36Å; T60-Y249 HydrophobicContact CG2-CE2 4.07Å; T60-F264 HydrophobicContact CG2-CE1 4.3Å; T60-F264 WeakPolarHBondContact OG1-CZ 3.49Å; T60-M265 HydrophobicContact CG2-CE 3.93Å
61W98.9Very high98.7Very high29 Ų298.9 Ų8.911%0.115%0.046CC..Hα-helixtrans-63.5-44.9176-172.620.5000111.5G58 T59 E64 I65 Y202 M205 K206 T236 M241G58-W61 WeakPolarHBondContact O-CB 3.17Å; G58-W61 PolarHBondContact O-N 3.45Å; T59-W61 VanDerWaalsContact C-N 3.26Å; T59-W61 PolarHBondContact O-N 2.93Å; W61-E64 PolarHBondContact O-N 2.93Å; W61-I65 HydrophobicContact CD2-CD1 4.44Å; W61-I65 HydrophobicContact CG-CD1 4.27Å; W61-I65 WeakPolarHBondContact O-CG1 3.43Å; W61-I65 PolarHBondContact O-N 3.43Å; W61-Y202 AromaticContact CE3-CD2 3.89Å; W61-Y202 HydrophobicContact CE3-CD2 3.89Å; W61-Y202 AromaticContact CE3-CE2 3.54Å; W61-Y202 HydrophobicContact CE3-CE2 3.54Å; W61-Y202 AromaticContact CZ3-CD2 3.94Å; W61-Y202 HydrophobicContact CZ3-CD2 3.94Å; W61-Y202 AromaticContact CZ3-CE2 3.68Å; W61-Y202 HydrophobicContact CZ3-CE2 3.68Å; W61-M205 HydrophobicContact CD2-CE 3.99Å; W61-M205 HydrophobicContact CE3-CB 4.35Å; W61-M205 HydrophobicContact CE3-CE 3.82Å; W61-M205 HydrophobicContact CG-CE 4.5Å; W61-M205 VanDerWaalsContact CH2-C 3.44Å; W61-M205 HydrophobicContact CH2-CB 3.56Å; W61-M205 VanDerWaalsContact CH2-O 3.31Å; W61-M205 WeakPolarHBondContact CH2-O 3.34Å; W61-M205 HydrophobicContact CZ2-CB 4.41Å; W61-M205 HydrophobicContact CZ3-CB 3.51Å; W61-M205 HydrophobicContact CZ3-CE 4.14Å; W61-K206 HydrophobicContact CH2-CB 4.48Å; W61-K206 HydrophobicContact CH2-CD 3.45Å; W61-K206 VanDerWaalsContact CH2-CD 3.45Å; W61-K206 HydrophobicContact CH2-CG 3.82Å; W61-K206 HydrophobicContact CZ2-CD 4.39Å; W61-K206 HydrophobicContact CZ3-CD 3.6Å; W61-K206 HydrophobicContact CZ3-CG 3.71Å; W61-T236 PolarHBondContact NE1-O 3.38Å; W61-M241 HydrophobicContact CG-SD 4.45Å
62T98.9Very high98.6Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-64.3-41176.2-48.20000111.7I51 G58 T59 I65 V66 I135 V137I51-T62 HydrophobicContact CD1-CG2 4.35Å; I51-T62 HydrophobicContact CG2-CG2 4.01Å; G58-T62 PolarHBondContact O-N 3.17Å; G58-T62 VanDerWaalsContact O-N 3.07Å; G58-T62 PolarHBondContact O-OG1 3.18Å; T59-T62 WeakPolarHBondContact O-CB 3.33Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 VanDerWaalsContact O-N 3.12Å; T62-I65 PolarHBondContact O-N 3.39Å; T62-V66 HydrophobicContact CG2-CG2 4.4Å; T62-V66 WeakPolarHBondContact O-CB 3.24Å; T62-V66 VanDerWaalsContact O-CG2 3.28Å; T62-V66 WeakPolarHBondContact O-CG2 3.24Å; T62-V66 PolarHBondContact O-N 2.83Å; T62-I135 HydrophobicContact CG2-CG2 3.84Å; T62-V137 HydrophobicContact CG2-CG2 4.04Å; T62-V137 WeakPolarHBondContact OG1-CG2 3.41Å
63Q98.9Very high98.5Very high0 Ų013.6 Ų13.60%07%0.073CC..Hα-helixtrans-58.3-47.8175.4-73.5172-66.600111.7I51 T59 T60 V66 D67 H87I51-Q63 HydrophobicContact CD1-CB 4.31Å; I51-Q63 HydrophobicContact CD1-CG 3.71Å; T59-Q63 WeakPolarHBondContact O-CG 3.27Å; T59-Q63 PolarHBondContact O-N 3.28Å; T60-Q63 PolarHBondContact O-N 3.26Å; Q63-V66 PolarHBondContact O-N 2.9Å; Q63-D67 WeakPolarHBondContact O-CB 3.44Å; Q63-D67 PolarHBondContact O-N 2.84Å; Q63-H87 HydrophobicContact CG-CB 4.22Å; Q63-H87 PolarHBondContact O-CE1 3.35Å
64E98.8Very high98.5Very high6 Ų616.2 Ų16.23%0.0289%0.086CC..Hα-helixtrans-67.5-37.2177.7-63.1-44.7131.200112.9T60 W61 M68 T83 R86 T236 M241 A247T60-E64 WeakPolarHBondContact O-CG 3.37Å; T60-E64 PolarHBondContact O-N 3.49Å; W61-E64 PolarHBondContact O-N 2.93Å; E64-M68 VanDerWaalsContact O-CB 3.31Å; E64-M68 WeakPolarHBondContact O-CB 3.09Å; E64-M68 VanDerWaalsContact O-CG 3.27Å; E64-M68 WeakPolarHBondContact O-CG 3.17Å; E64-M68 PolarHBondContact O-N 2.65Å; E64-T83 VanDerWaalsContact OE1-CB 3.22Å; E64-T83 WeakPolarHBondContact OE1-CB 3.37Å; E64-T83 PolarHBondContact OE1-OG1 2.9Å; E64-R86 IonicContact OE1-CZ 2.59Å; E64-R86 IonicContact OE1-NH1 2.91Å; E64-R86 PolarHBondContact OE1-NH1 3.4Å; E64-R86 IonicContact OE1-NH2 2.81Å; E64-R86 PolarHBondContact OE1-NH2 3.47Å; E64-R86 IonicContact OE2-CZ 3.64Å; E64-R86 IonicContact OE2-NH1 2.85Å; E64-R86 PolarHBondContact OE2-NH1 2.76Å; E64-R86 IonicContact OE2-NH2 2.71Å; E64-R86 PolarHBondContact OE2-NH2 2.87Å; E64-T236 HydrophobicContact CB-CG2 4Å; E64-M241 HydrophobicContact CB-CE 3.97Å; E64-M241 HydrophobicContact CB-SD 4.05Å; E64-M241 HydrophobicContact CG-CE 3.33Å; E64-M241 HydrophobicContact CG-SD 4Å; E64-A247 HydrophobicContact CG-CB 3.91Å
65I98.9Very high98.4Very high1 Ų118 Ų181%0.00510%0.097CC..Hα-helixtrans-59.4-50.2173.7-71.6165.4000110.3W61 T62 M68 I69 M205 I213 I216 V232 T236W61-I65 HydrophobicContact CD2-CD1 4.44Å; W61-I65 HydrophobicContact CG-CD1 4.27Å; W61-I65 WeakPolarHBondContact O-CG1 3.43Å; W61-I65 PolarHBondContact O-N 3.43Å; T62-I65 PolarHBondContact O-N 3.39Å; I65-M68 PolarHBondContact O-N 3.49Å; I65-I69 HydrophobicContact CG2-CD1 3.67Å; I65-I69 WeakPolarHBondContact O-CD1 3.27Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3Å; I65-M205 HydrophobicContact CD1-CE 3.69Å; I65-I213 HydrophobicContact CD1-CD1 4.35Å; I65-I213 HydrophobicContact CD1-CG1 4.07Å; I65-I213 HydrophobicContact CG1-CD1 4.37Å; I65-I213 HydrophobicContact CG1-CG1 4.3Å; I65-I213 HydrophobicContact CG2-CG1 3.92Å; I65-I213 HydrophobicContact CG2-CG2 4.41Å; I65-I216 HydrophobicContact CG2-CD1 3.76Å; I65-I216 HydrophobicContact CG2-CG2 4.46Å; I65-V232 HydrophobicContact CG2-CG1 4.17Å; I65-T236 HydrophobicContact CB-CG2 4.33Å; I65-T236 HydrophobicContact CG1-CG2 3.64Å
66V98.9Very high98.4Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-63.2-46.4-178.6166.70000111.3L49 I51 T62 Q63 M68 I69 Q70 T113 I135 I216 L220L49-V66 HydrophobicContact CD2-CG1 3.39Å; L49-V66 HydrophobicContact CD2-CG2 4.38Å; I51-V66 HydrophobicContact CD1-CB 4.22Å; I51-V66 HydrophobicContact CD1-CG1 4.47Å; I51-V66 HydrophobicContact CD1-CG2 4.06Å; T62-V66 HydrophobicContact CG2-CG2 4.4Å; T62-V66 WeakPolarHBondContact O-CB 3.24Å; T62-V66 VanDerWaalsContact O-CG2 3.28Å; T62-V66 WeakPolarHBondContact O-CG2 3.24Å; T62-V66 PolarHBondContact O-N 2.83Å; Q63-V66 PolarHBondContact O-N 2.9Å; V66-M68 PolarHBondContact O-N 2.81Å; V66-I69 PolarHBondContact O-N 3.03Å; V66-Q70 HydrophobicContact CG1-CG 4.28Å; V66-Q70 WeakPolarHBondContact O-CB 3.33Å; V66-Q70 WeakPolarHBondContact O-CG 3.25Å; V66-Q70 PolarHBondContact O-N 3.26Å; V66-T113 HydrophobicContact CG1-CG2 3.91Å; V66-I135 HydrophobicContact CG2-CD1 3.74Å; V66-I216 HydrophobicContact CG2-CG2 4.08Å; V66-L220 HydrophobicContact CG1-CD1 4.33Å; V66-L220 HydrophobicContact CG2-CD1 4.43Å
67D98.5Very high98.3Very high1 Ų129.1 Ų29.11%0.00515%0.148CC..Hα-helixtrans-64.3-40.6-179.8-161.248.9000111.4Q63 Q70 N71 C78 R80 R86 H87Q63-D67 WeakPolarHBondContact O-CB 3.44Å; Q63-D67 PolarHBondContact O-N 2.84Å; D67-Q70 PolarHBondContact O-N 3.3Å; D67-N71 WeakPolarHBondContact O-CB 3.28Å; D67-N71 PolarHBondContact O-N 3.49Å; D67-N71 PolarHBondContact O-ND2 2.83Å; D67-N71 PolarHBondContact OD1-ND2 2.89Å; D67-N71 VanDerWaalsContact OD1-ND2 3.14Å; D67-C78 WeakPolarHBondContact OD2-CA 3.42Å; D67-R80 IonicContact OD1-CZ 3.74Å; D67-R80 IonicContact OD1-NH1 2.93Å; D67-R80 PolarHBondContact OD1-NH1 2.81Å; D67-R80 IonicContact OD1-NH2 3.36Å; D67-R80 PolarHBondContact OD1-NH2 2.89Å; D67-R80 IonicContact OD2-CZ 3.13Å; D67-R80 IonicContact OD2-NH1 2.84Å; D67-R80 PolarHBondContact OD2-NH1 2.9Å; D67-R80 IonicContact OD2-NH2 2.71Å; D67-R86 WeakPolarHBondContact OD2-CD 3.33Å; D67-R86 IonicContact OD2-CZ 3.1Å; D67-R86 IonicContact OD2-NE 3.23Å; D67-R86 IonicContact OD2-NH1 2.66Å; D67-R86 PolarHBondContact OD2-NH1 3.31Å; D67-H87 IonicContact OD1-NE2 3.92Å
68M98.7Very high98.3Very high5 Ų529.3 Ų29.33%0.02515%0.149CC..Hα-helixtrans-62.5-41.9174.2-77.4-70.8-67.600112E64 I65 V66 N71 D72 G73 V75 C78 K231 V232 H235 T236E64-M68 VanDerWaalsContact O-CB 3.31Å; E64-M68 WeakPolarHBondContact O-CB 3.09Å; E64-M68 VanDerWaalsContact O-CG 3.27Å; E64-M68 WeakPolarHBondContact O-CG 3.17Å; E64-M68 PolarHBondContact O-N 2.65Å; I65-M68 PolarHBondContact O-N 3.49Å; V66-M68 PolarHBondContact O-N 2.81Å; M68-N71 PolarHBondContact O-N 2.84Å; M68-D72 PolarHBondContact O-N 2.67Å; M68-G73 WeakPolarHBondContact O-CA 3.28Å; M68-G73 PolarHBondContact O-N 2.71Å; M68-V75 HydrophobicContact CE-CG2 4Å; M68-V75 HydrophobicContact SD-CG2 4.31Å; M68-C78 HydrophobicContact SD-CB 3.95Å; M68-C78 PolarHBondContact SD-SG 2.92Å; M68-K231 HydrophobicContact CE-CB 4.43Å; M68-V232 HydrophobicContact CB-CB 4.39Å; M68-V232 HydrophobicContact CB-CG1 4.08Å; M68-V232 HydrophobicContact CB-CG2 3.87Å; M68-H235 HydrophobicContact CE-CB 3.97Å; M68-T236 HydrophobicContact CG-CG2 4.34Å
69I98.8Very high98.2Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-65.6-45.4175.9-67.1162.4000110.8I65 V66 N71 D72 I213 I216 V217 L220 K222 V232I65-I69 HydrophobicContact CG2-CD1 3.67Å; I65-I69 WeakPolarHBondContact O-CD1 3.27Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3Å; V66-I69 PolarHBondContact O-N 3.03Å; I69-N71 PolarHBondContact O-N 3.36Å; I69-D72 PolarHBondContact O-N 2.85Å; I69-I213 HydrophobicContact CD1-CG2 4.2Å; I69-I216 HydrophobicContact CD1-CB 4.19Å; I69-I216 HydrophobicContact CD1-CG2 3.65Å; I69-V217 HydrophobicContact CD1-CG2 3.74Å; I69-V217 HydrophobicContact CG1-CG2 3.99Å; I69-V217 HydrophobicContact CG2-CG2 4.19Å; I69-L220 HydrophobicContact CB-CD1 4.36Å; I69-L220 HydrophobicContact CD1-CD1 4.44Å; I69-L220 HydrophobicContact CG2-CD1 3.96Å; I69-K222 HydrophobicContact CG2-CB 4.08Å; I69-K222 HydrophobicContact CG2-CG 4Å; I69-V232 HydrophobicContact CG1-CG1 4.31Å; I69-V232 HydrophobicContact CG1-CG2 4.23Å
70Q98.1Very high98.1Very high55 Ų5539 Ų3926%0.25719%0.185SC..Hα-helixtrans-65.5-26-178.4-75.1178.6-22.300112.8V66 D67 T113V66-Q70 HydrophobicContact CG1-CG 4.28Å; V66-Q70 WeakPolarHBondContact O-CB 3.33Å; V66-Q70 WeakPolarHBondContact O-CG 3.25Å; V66-Q70 PolarHBondContact O-N 3.26Å; D67-Q70 PolarHBondContact O-N 3.3Å; Q70-T113 PolarHBondContact NE2-OG1 3Å; Q70-T113 PolarHBondContact OE1-OG1 2.97Å
71N98.1Very high98Very high30 Ų3039.9 Ų39.916%0.1619%0.194CC..THydrogen-bonded Turntrans-103.721.4178.2-68.3-78000113.6D67 M68 I69 G73 D74 K77D67-N71 WeakPolarHBondContact O-CB 3.28Å; D67-N71 PolarHBondContact O-N 3.49Å; D67-N71 PolarHBondContact O-ND2 2.83Å; D67-N71 PolarHBondContact OD1-ND2 2.89Å; D67-N71 VanDerWaalsContact OD1-ND2 3.14Å; M68-N71 PolarHBondContact O-N 2.84Å; I69-N71 PolarHBondContact O-N 3.36Å; N71-G73 PolarHBondContact O-N 3.37Å; N71-G73 VanDerWaalsContact O-N 3.1Å; N71-D74 HydrophobicContact CB-CB 4.43Å; N71-D74 WeakPolarHBondContact O-CB 3.36Å; N71-D74 PolarHBondContact O-N 3.27Å; N71-K77 HydrophobicContact CB-CB 4.04Å; N71-K77 HydrophobicContact CB-CD 4.17Å; N71-K77 WeakPolarHBondContact OD1-CD 3.45Å
72D97.9Very high97.8Very high94 Ų9439.9 Ų39.950%0.50320%0.196SC..THydrogen-bonded Turntrans55.431.9174.8-51.1-55.3000113.9M68 I69 D74 V228M68-D72 PolarHBondContact O-N 2.67Å; I69-D72 PolarHBondContact O-N 2.85Å; D72-D74 VanDerWaalsContact C-N 3.33Å; D72-V228 WeakPolarHBondContact O-CG2 3.32Å
73G97.6Very high97.7Very high6 Ų639.9 Ų39.96%0.06220%0.196CC..THydrogen-bonded Turntrans76.613.2-17800000115.1M68 N71 V75M68-G73 WeakPolarHBondContact O-CA 3.28Å; M68-G73 PolarHBondContact O-N 2.71Å; N71-G73 PolarHBondContact O-N 3.37Å; N71-G73 VanDerWaalsContact O-N 3.1Å; G73-V75 PolarHBondContact O-N 3.42Å
74D98.2Very high97.4Very high54 Ų5440.9 Ų40.929%0.28920%0.2SC..  trans-74.4102.7176.2-173.1-24.4000111.3N71 D72 Q76 K77 C78N71-D74 HydrophobicContact CB-CB 4.43Å; N71-D74 WeakPolarHBondContact O-CB 3.36Å; N71-D74 PolarHBondContact O-N 3.27Å; D72-D74 VanDerWaalsContact C-N 3.33Å; D74-Q76 VanDerWaalsContact C-N 3.31Å; D74-Q76 PolarHBondContact O-N 3Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.32Å; D74-Q76 PolarHBondContact OD1-N 3.4Å; D74-K77 HydrophobicContact CB-CB 4.2Å; D74-K77 HydrophobicContact CB-CD 4.01Å; D74-K77 HydrophobicContact CB-CG 4.18Å; D74-K77 PolarHBondContact O-N 3.19Å; D74-K77 PolarHBondContact OD1-N 3.46Å; D74-K77 VanDerWaalsContact OD1-N 3.15Å; D74-K77 WeakPolarHBondContact OD2-CD 3.28Å; D74-K77 VanDerWaalsContact OD2-CE 3.23Å; D74-K77 WeakPolarHBondContact OD2-CE 3.34Å; D74-K77 WeakPolarHBondContact OD2-CG 3.46Å; D74-K77 IonicContact OD2-NZ 3.27Å; D74-C78 PolarHBondContact O-N 3.19Å; D74-C78 PolarHBondContact O-SG 3.25Å
75V96.8Very high97.2Very high39 Ų3943 Ų4324%0.23621%0.212CC..Hα-helixtrans-64-34.5-179.2179.80000112.1M68 G73 C78 Q79M68-V75 HydrophobicContact CE-CG2 4Å; M68-V75 HydrophobicContact SD-CG2 4.31Å; G73-V75 PolarHBondContact O-N 3.42Å; V75-C78 PolarHBondContact O-N 2.87Å; V75-Q79 HydrophobicContact CG1-CG 4.4Å; V75-Q79 WeakPolarHBondContact O-CG 3.48Å; V75-Q79 PolarHBondContact O-N 3Å
76Q97.3Very high97.1Very high160 Ų16043.3 Ų43.375%0.74821%0.213SC*.Hα-helixtrans-67-42.1-178.9-65.7-176-7.400110.4D74 C78 Q79 R80D74-Q76 VanDerWaalsContact C-N 3.31Å; D74-Q76 PolarHBondContact O-N 3Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.32Å; D74-Q76 PolarHBondContact OD1-N 3.4Å; Q76-C78 VanDerWaalsContact C-N 3.3Å; Q76-C78 PolarHBondContact O-N 3.3Å; Q76-Q79 CarbonylContact O-C 3.51Å; Q76-Q79 PolarHBondContact O-N 3.28Å; Q76-Q79 VanDerWaalsContact O-N 3.12Å; Q76-R80 PolarHBondContact O-N 2.97Å
77K97.8Very high97.1Very high101 Ų10143.3 Ų43.344%0.43921%0.213SC..Hα-helixtrans-62.4-37.5173.1-70.9-179.9-170.9169.80112.2N71 D74 Q79 R80N71-K77 HydrophobicContact CB-CB 4.04Å; N71-K77 HydrophobicContact CB-CD 4.17Å; N71-K77 WeakPolarHBondContact OD1-CD 3.45Å; D74-K77 HydrophobicContact CB-CB 4.2Å; D74-K77 HydrophobicContact CB-CD 4.01Å; D74-K77 HydrophobicContact CB-CG 4.18Å; D74-K77 PolarHBondContact O-N 3.19Å; D74-K77 PolarHBondContact OD1-N 3.46Å; D74-K77 VanDerWaalsContact OD1-N 3.15Å; D74-K77 WeakPolarHBondContact OD2-CD 3.28Å; D74-K77 VanDerWaalsContact OD2-CE 3.23Å; D74-K77 WeakPolarHBondContact OD2-CE 3.34Å; D74-K77 WeakPolarHBondContact OD2-CG 3.46Å; D74-K77 IonicContact OD2-NZ 3.27Å; K77-Q79 PolarHBondContact O-N 3.39Å; K77-R80 VanDerWaalsContact O-CB 3.32Å; K77-R80 WeakPolarHBondContact O-CB 3.45Å; K77-R80 VanDerWaalsContact O-CD 3.3Å; K77-R80 WeakPolarHBondContact O-CD 3.46Å; K77-R80 WeakPolarHBondContact O-CG 3.42Å; K77-R80 PolarHBondContact O-N 3.23Å; K77-R80 PolarHBondContact O-NH1 3.24Å
78C97.3Very high97Very high5 Ų543.3 Ų43.33%0.03421%0.213CC..Hα-helixtrans-71.9-15177.4-60.40000113.2D67 M68 D74 V75 Q76 R86D67-C78 WeakPolarHBondContact OD2-CA 3.42Å; M68-C78 HydrophobicContact SD-CB 3.95Å; M68-C78 PolarHBondContact SD-SG 2.92Å; D74-C78 PolarHBondContact O-N 3.19Å; D74-C78 PolarHBondContact O-SG 3.25Å; V75-C78 PolarHBondContact O-N 2.87Å; Q76-C78 VanDerWaalsContact C-N 3.3Å; Q76-C78 PolarHBondContact O-N 3.3Å; C78-R86 PolarHBondContact O-NE 3.06Å; C78-R86 VanDerWaalsContact O-NE 3.13Å; C78-R86 PolarHBondContact O-NH1 2.83Å
79Q96.4Very high97Very high95 Ų9543.8 Ų43.844%0.44422%0.215SC..THydrogen-bonded Turntrans-99.89.2175.4-69.9177.3-20.500113.6V75 Q76 K77 A81 M246V75-Q79 HydrophobicContact CG1-CG 4.4Å; V75-Q79 WeakPolarHBondContact O-CG 3.48Å; V75-Q79 PolarHBondContact O-N 3Å; Q76-Q79 CarbonylContact O-C 3.51Å; Q76-Q79 PolarHBondContact O-N 3.28Å; Q76-Q79 VanDerWaalsContact O-N 3.12Å; K77-Q79 PolarHBondContact O-N 3.39Å; Q79-A81 PolarHBondContact O-N 3.47Å; Q79-A81 VanDerWaalsContact O-N 3.15Å; Q79-M246 HydrophobicContact CB-CG 4.29Å; Q79-M246 HydrophobicContact CG-CG 4.4Å
80R96.6Very high96.9Very high128 Ų12843.9 Ų43.948%0.48322%0.215SC..SBendtrans-58.5-27.2-179.169.6-170.8175.9-79.83.8114.6D67 Q76 K77 R86D67-R80 IonicContact OD1-CZ 3.74Å; D67-R80 IonicContact OD1-NH1 2.93Å; D67-R80 PolarHBondContact OD1-NH1 2.81Å; D67-R80 IonicContact OD1-NH2 3.36Å; D67-R80 PolarHBondContact OD1-NH2 2.89Å; D67-R80 IonicContact OD2-CZ 3.13Å; D67-R80 IonicContact OD2-NH1 2.84Å; D67-R80 PolarHBondContact OD2-NH1 2.9Å; D67-R80 IonicContact OD2-NH2 2.71Å; Q76-R80 PolarHBondContact O-N 2.97Å; K77-R80 VanDerWaalsContact O-CB 3.32Å; K77-R80 WeakPolarHBondContact O-CB 3.45Å; K77-R80 VanDerWaalsContact O-CD 3.3Å; K77-R80 WeakPolarHBondContact O-CD 3.46Å; K77-R80 WeakPolarHBondContact O-CG 3.42Å; K77-R80 PolarHBondContact O-N 3.23Å; K77-R80 PolarHBondContact O-NH1 3.24Å; R80-R86 HydrophobicContact CG-CG 4.05Å; R80-R86 VanDerWaalsContact CZ-CD 3.41Å; R80-R86 VanDerWaalsContact NH1-CD 3.27Å
81A96.4Very high96.8Very high29 Ų2941.2 Ų41.224%0.2420%0.203CC..SBendtrans-165.2173.6178.900000110.6Q79 D85 R86 M246Q79-A81 PolarHBondContact O-N 3.47Å; Q79-A81 VanDerWaalsContact O-N 3.15Å; A81-D85 HydrophobicContact CB-CB 3.91Å; A81-R86 HydrophobicContact CB-CG 4.1Å; A81-R86 PolarHBondContact O-NE 3.21Å; A81-M246 VanDerWaalsContact C-SD 3.57Å
82N95.8Very high96.5Very high28 Ų2841 Ų4115%0.1520%0.2CC..  trans-61.6153.4173.7-53.3-74000111.2F84 D85 R86 M246 T251N82-F84 HydrophobicContact CB-CD1 3.92Å; N82-F84 HydrophobicContact CB-CD2 4.13Å; N82-F84 HydrophobicContact CB-CE1 3.51Å; N82-F84 HydrophobicContact CB-CE2 3.73Å; N82-F84 HydrophobicContact CB-CG 4.23Å; N82-F84 HydrophobicContact CB-CZ 3.41Å; N82-F84 VanDerWaalsContact CB-CZ 3.41Å; N82-F84 PolarHBondContact O-N 3.14Å; N82-F84 VanDerWaalsContact O-N 3.16Å; N82-D85 WeakPolarHBondContact CB-OD2 3.47Å; N82-D85 PolarHBondContact ND2-OD2 2.71Å; N82-D85 WeakPolarHBondContact O-CB 3.33Å; N82-D85 PolarHBondContact O-N 3.06Å; N82-R86 PolarHBondContact O-N 2.77Å; N82-M246 CarbonylContact C-O 3.59Å; N82-T251 WeakPolarHBondContact OD1-CB 3.13Å; N82-T251 WeakPolarHBondContact OD1-CG2 3.25Å; N82-T251 PolarHBondContact OD1-OG1 3.5Å
83T96.3Very high96Very high1 Ų137.5 Ų37.51%0.00618%0.182CC..Hα-helixtrans-58.1-34-177.4-159.40000112.4T60 E64 D85 R86 H87 M246 Y249T60-T83 HydrophobicContact CG2-CG2 4.11Å; E64-T83 VanDerWaalsContact OE1-CB 3.22Å; E64-T83 WeakPolarHBondContact OE1-CB 3.37Å; E64-T83 PolarHBondContact OE1-OG1 2.9Å; T83-D85 VanDerWaalsContact C-N 3.33Å; T83-R86 PolarHBondContact O-N 3.48Å; T83-H87 WeakPolarHBondContact O-CB 3.49Å; T83-H87 PolarHBondContact O-N 2.75Å; T83-H87 PolarHBondContact O-ND1 3.23Å; T83-M246 WeakPolarHBondContact CB-O 3.44Å; T83-M246 PolarHBondContact N-O 3.48Å; T83-Y249 HydrophobicContact CG2-CD2 4.41Å; T83-Y249 HydrophobicContact CG2-CE2 3.6Å
84F92.7Very high95.2Very high21 Ų2137.9 Ų37.99%0.09218%0.182CC..Hα-helixtrans-76.9-16.6177.853.4-101.1000114.1N82 W92 Y249 L252N82-F84 HydrophobicContact CB-CD1 3.92Å; N82-F84 HydrophobicContact CB-CD2 4.13Å; N82-F84 HydrophobicContact CB-CE1 3.51Å; N82-F84 HydrophobicContact CB-CE2 3.73Å; N82-F84 HydrophobicContact CB-CG 4.23Å; N82-F84 HydrophobicContact CB-CZ 3.41Å; N82-F84 VanDerWaalsContact CB-CZ 3.41Å; N82-F84 PolarHBondContact O-N 3.14Å; N82-F84 VanDerWaalsContact O-N 3.16Å; F84-W92 HydrophobicContact CB-CE3 4.48Å; F84-W92 HydrophobicContact CB-CZ3 3.79Å; F84-W92 HydrophobicContact CD2-CZ3 4.11Å; F84-W92 HydrophobicContact CG-CH2 4.47Å; F84-W92 AromaticContact CG-CZ3 3.94Å; F84-W92 HydrophobicContact CG-CZ3 3.94Å; F84-Y249 HydrophobicContact CB-CE1 4.35Å; F84-Y249 AromaticContact CD1-CD1 3.78Å; F84-Y249 HydrophobicContact CD1-CD1 3.78Å; F84-Y249 AromaticContact CD1-CE1 3.53Å; F84-Y249 HydrophobicContact CD1-CE1 3.53Å; F84-Y249 HydrophobicContact CE1-CD1 4.08Å; F84-Y249 HydrophobicContact CE1-CE1 4.29Å; F84-Y249 HydrophobicContact CG-CE1 4.35Å; F84-L252 HydrophobicContact CE1-CD1 4.41Å; F84-L252 HydrophobicContact CE1-CD2 4.04Å; F84-L252 HydrophobicContact CE1-CG 3.96Å; F84-L252 HydrophobicContact CE2-CD2 4.25Å; F84-L252 HydrophobicContact CZ-CD2 3.69Å; F84-L252 HydrophobicContact CZ-CG 4.08Å
85D94.8Very high94.1Very high50 Ų5038 Ų3827%0.26719%0.186SC..Hα-helixtrans-87.7-38.7170.5-60.1-45.8000110.6A81 N82 T83 H87 M108A81-D85 HydrophobicContact CB-CB 3.91Å; N82-D85 WeakPolarHBondContact CB-OD2 3.47Å; N82-D85 PolarHBondContact ND2-OD2 2.71Å; N82-D85 WeakPolarHBondContact O-CB 3.33Å; N82-D85 PolarHBondContact O-N 3.06Å; T83-D85 VanDerWaalsContact C-N 3.33Å; D85-H87 VanDerWaalsContact C-N 3.35Å; D85-M108 WeakPolarHBondContact O-CE 3.41Å
86R97Very high93.1Very high7 Ų742 Ų423%0.02621%0.213CC..Hα-helixtrans-68.6-32.9176.1-70.8-173.3-77.1127.41113E64 D67 C78 R80 A81 N82 T83 M108 M246E64-R86 IonicContact OE1-CZ 2.59Å; E64-R86 IonicContact OE1-NH1 2.91Å; E64-R86 PolarHBondContact OE1-NH1 3.4Å; E64-R86 IonicContact OE1-NH2 2.81Å; E64-R86 PolarHBondContact OE1-NH2 3.47Å; E64-R86 IonicContact OE2-CZ 3.64Å; E64-R86 IonicContact OE2-NH1 2.85Å; E64-R86 PolarHBondContact OE2-NH1 2.76Å; E64-R86 IonicContact OE2-NH2 2.71Å; E64-R86 PolarHBondContact OE2-NH2 2.87Å; D67-R86 WeakPolarHBondContact OD2-CD 3.33Å; D67-R86 IonicContact OD2-CZ 3.1Å; D67-R86 IonicContact OD2-NE 3.23Å; D67-R86 IonicContact OD2-NH1 2.66Å; D67-R86 PolarHBondContact OD2-NH1 3.31Å; C78-R86 PolarHBondContact O-NE 3.06Å; C78-R86 VanDerWaalsContact O-NE 3.13Å; C78-R86 PolarHBondContact O-NH1 2.83Å; R80-R86 HydrophobicContact CG-CG 4.05Å; R80-R86 VanDerWaalsContact CZ-CD 3.41Å; R80-R86 VanDerWaalsContact NH1-CD 3.27Å; A81-R86 HydrophobicContact CB-CG 4.1Å; A81-R86 PolarHBondContact O-NE 3.21Å; N82-R86 PolarHBondContact O-N 2.77Å; T83-R86 PolarHBondContact O-N 3.48Å; R86-M108 WeakPolarHBondContact O-CE 3.25Å; R86-M246 PolarHBondContact NH2-O 3.48Å
87H97.8Very high92.2Very high1 Ų137.7 Ų37.71%0.00520%0.199CC..SBendtrans-132.183.3-176.4-53.4106.1000110.2Q63 D67 T83 D85 F89 T113Q63-H87 HydrophobicContact CG-CB 4.22Å; Q63-H87 PolarHBondContact O-CE1 3.35Å; D67-H87 IonicContact OD1-NE2 3.92Å; T83-H87 WeakPolarHBondContact O-CB 3.49Å; T83-H87 PolarHBondContact O-N 2.75Å; T83-H87 PolarHBondContact O-ND1 3.23Å; D85-H87 VanDerWaalsContact C-N 3.35Å; H87-F89 PolarHBondContact O-N 2.97Å; H87-T113 WeakPolarHBondContact CA-O 3.33Å; H87-T113 WeakPolarHBondContact CD2-CG2 3.34Å
88P97.4Very high91.4Very high0 Ų035.6 Ų35.60%019%0.192CC..  trans-52.7128-175.4-3037.7000111.9L90 G101 L104 A105 M108 L114 K115P88-L90 PolarHBondContact O-N 3.25Å; P88-G101 WeakPolarHBondContact CB-O 3.44Å; P88-L104 HydrophobicContact CB-CB 3.95Å; P88-L104 HydrophobicContact CG-CB 3.79Å; P88-A105 HydrophobicContact CB-CB 3.89Å; P88-A105 HydrophobicContact CG-CB 4.33Å; P88-M108 VanDerWaalsContact CD-CE 3.45Å; P88-M108 HydrophobicContact CG-CE 3.52Å; P88-M108 HydrophobicContact CG-SD 4.13Å; P88-L114 HydrophobicContact CB-CD2 4.13Å; P88-L114 HydrophobicContact CG-CD2 4.2Å; P88-K115 PolarHBondContact O-N 2.84Å
89F97.8Very high90.7Very high15 Ų1539 Ų397%0.06621%0.21CC..BIsolated β-bridgetrans-87.199.4176.9-178.2-166.2000109H87 E91 W92 G101 K115 H117 W178H87-F89 PolarHBondContact O-N 2.97Å; F89-E91 HydrophobicContact CD2-CG 4.47Å; F89-E91 HydrophobicContact CE2-CG 3.77Å; F89-E91 WeakPolarHBondContact CE2-OE1 3.45Å; F89-E91 VanDerWaalsContact CE2-OE2 3.28Å; F89-E91 WeakPolarHBondContact CE2-OE2 3.43Å; F89-E91 HydrophobicContact CZ-CG 4.01Å; F89-E91 PolarHBondContact O-N 2.87Å; F89-W92 HydrophobicContact CB-CB 3.74Å; F89-W92 HydrophobicContact CB-CE3 4.41Å; F89-W92 HydrophobicContact CB-CG 4.48Å; F89-W92 HydrophobicContact CD1-CB 3.39Å; F89-W92 HydrophobicContact CD1-CD2 4.05Å; F89-W92 HydrophobicContact CD1-CE3 4.46Å; F89-W92 AromaticContact CD1-CG 3.6Å; F89-W92 HydrophobicContact CD1-CG 3.6Å; F89-W92 HydrophobicContact CD2-CB 4.49Å; F89-W92 HydrophobicContact CE1-CB 4.01Å; F89-W92 HydrophobicContact CE1-CG 4.11Å; F89-W92 HydrophobicContact CG-CB 3.63Å; F89-W92 HydrophobicContact CG-CG 4.31Å; F89-W92 VanDerWaalsContact O-CB 3.24Å; F89-W92 WeakPolarHBondContact O-CB 3.47Å; F89-W92 PolarHBondContact O-N 3.25Å; F89-G101 WeakPolarHBondContact O-CA 3.22Å; F89-K115 HydrophobicContact CB-CD 4.32Å; F89-K115 HydrophobicContact CD2-CD 4.15Å; F89-K115 HydrophobicContact CD2-CG 3.99Å; F89-K115 HydrophobicContact CG-CD 4.12Å; F89-K115 HydrophobicContact CG-CG 4.39Å; F89-H117 AromaticContact CE1-CD2 3.95Å; F89-H117 HydrophobicContact CE2-CB 4.23Å; F89-H117 AromaticContact CE2-CD2 3.83Å; F89-H117 HydrophobicContact CZ-CB 4.16Å; F89-H117 AromaticContact CZ-CD2 3.3Å; F89-H117 WeakPolarHBondContact CZ-CD2 3.17Å; F89-H117 AromaticContact CZ-CG 3.94Å; F89-W178 HydrophobicContact CE1-CZ2 4.17Å; F89-W178 HydrophobicContact CZ-CH2 4.46Å; F89-W178 AromaticContact CZ-CZ2 3.67Å; F89-W178 HydrophobicContact CZ-CZ2 3.67Å
90L97.2Very high90.4Very high2 Ų235.1 Ų35.11%0.0119%0.193CC..THydrogen-bonded Turntrans-46.3-54.5-163.5-75.5173.7000114.4F42 L50 P88 W92 L102 A105 L114 K115 F127F42-L90 HydrophobicContact CD1-CD2 4.14Å; F42-L90 HydrophobicContact CD2-CD2 4.18Å; F42-L90 HydrophobicContact CE1-CD2 3.95Å; F42-L90 HydrophobicContact CE2-CD2 3.99Å; F42-L90 HydrophobicContact CG-CD2 4.24Å; F42-L90 HydrophobicContact CZ-CD2 3.86Å; L50-L90 HydrophobicContact CD1-CD1 3.96Å; P88-L90 PolarHBondContact O-N 3.25Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 3.47Å; L90-L102 HydrophobicContact CD2-CD2 4.45Å; L90-L102 WeakPolarHBondContact O-CG 3.42Å; L90-A105 HydrophobicContact CD2-CB 4.16Å; L90-L114 HydrophobicContact CD2-CD1 4.24Å; L90-L114 HydrophobicContact CG-CB 4.46Å; L90-K115 PolarHBondContact N-O 2.85Å; L90-F127 HydrophobicContact CD1-CE2 3.65Å; L90-F127 HydrophobicContact CD1-CZ 3.66Å
91E96.3Very high90.3Very high0 Ų029.1 Ų29.10%017%0.171CC..THydrogen-bonded Turntrans-82.4-3.6-177.865.8-92.6-14600113.7M28 M32 I39 F89 T93 T116 H117 L118 W178M28-E91 HydrophobicContact CE-CB 4.33Å; M28-E91 HydrophobicContact CE-CG 4.43Å; M32-E91 VanDerWaalsContact CG-O 3.3Å; M32-E91 WeakPolarHBondContact CG-O 3.11Å; M32-E91 HydrophobicContact SD-CG 4.47Å; I39-E91 HydrophobicContact CD1-CB 3.78Å; I39-E91 HydrophobicContact CG1-CB 4.5Å; I39-E91 HydrophobicContact CG2-CB 4.33Å; F89-E91 HydrophobicContact CD2-CG 4.47Å; F89-E91 HydrophobicContact CE2-CG 3.77Å; F89-E91 WeakPolarHBondContact CE2-OE1 3.45Å; F89-E91 VanDerWaalsContact CE2-OE2 3.28Å; F89-E91 WeakPolarHBondContact CE2-OE2 3.43Å; F89-E91 HydrophobicContact CZ-CG 4.01Å; F89-E91 PolarHBondContact O-N 2.87Å; E91-T93 PolarHBondContact O-N 3.19Å; E91-T116 PolarHBondContact OE1-OG1 2.95Å; E91-T116 WeakPolarHBondContact OE2-CB 3.28Å; E91-T116 PolarHBondContact OE2-OG1 2.81Å; E91-H117 WeakPolarHBondContact OE1-CA 3.36Å; E91-H117 PolarHBondContact OE1-N 3.01Å; E91-L118 HydrophobicContact CB-CD2 4.43Å; E91-L118 HydrophobicContact CG-CD2 4.33Å; E91-L118 HydrophobicContact CG-CG 4.45Å; E91-L118 PolarHBondContact OE1-N 3.32Å; E91-W178 PolarHBondContact OE1-NE1 3.37Å
92W92.2Very high90.2Very high25 Ų2528.3 Ų28.310%0.09516%0.163CC..  trans-73.4107-176.1-158.330.3000111.7F84 F89 L90 L94 S100 G101 L252F84-W92 HydrophobicContact CB-CE3 4.48Å; F84-W92 HydrophobicContact CB-CZ3 3.79Å; F84-W92 HydrophobicContact CD2-CZ3 4.11Å; F84-W92 HydrophobicContact CG-CH2 4.47Å; F84-W92 AromaticContact CG-CZ3 3.94Å; F84-W92 HydrophobicContact CG-CZ3 3.94Å; F89-W92 HydrophobicContact CB-CB 3.74Å; F89-W92 HydrophobicContact CB-CE3 4.41Å; F89-W92 HydrophobicContact CB-CG 4.48Å; F89-W92 HydrophobicContact CD1-CB 3.39Å; F89-W92 HydrophobicContact CD1-CD2 4.05Å; F89-W92 HydrophobicContact CD1-CE3 4.46Å; F89-W92 AromaticContact CD1-CG 3.6Å; F89-W92 HydrophobicContact CD1-CG 3.6Å; F89-W92 HydrophobicContact CD2-CB 4.49Å; F89-W92 HydrophobicContact CE1-CB 4.01Å; F89-W92 HydrophobicContact CE1-CG 4.11Å; F89-W92 HydrophobicContact CG-CB 3.63Å; F89-W92 HydrophobicContact CG-CG 4.31Å; F89-W92 VanDerWaalsContact O-CB 3.24Å; F89-W92 WeakPolarHBondContact O-CB 3.47Å; F89-W92 PolarHBondContact O-N 3.25Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 3.47Å; W92-L94 HydrophobicContact CD2-CD1 4.15Å; W92-L94 HydrophobicContact CD2-CD2 4.33Å; W92-L94 HydrophobicContact CD2-CG 4.08Å; W92-L94 HydrophobicContact CE3-CD1 3.99Å; W92-L94 HydrophobicContact CE3-CG 4.41Å; W92-L94 HydrophobicContact CH2-CD1 3.7Å; W92-L94 HydrophobicContact CH2-CD2 4.33Å; W92-L94 HydrophobicContact CH2-CG 4.41Å; W92-L94 HydrophobicContact CZ2-CD1 3.87Å; W92-L94 HydrophobicContact CZ2-CD2 3.64Å; W92-L94 HydrophobicContact CZ2-CG 4.08Å; W92-L94 HydrophobicContact CZ3-CD1 3.75Å; W92-S100 WeakPolarHBondContact O-CA 3.43Å; W92-G101 PolarHBondContact O-N 3.42Å; W92-L252 HydrophobicContact CH2-CD1 3.97Å; W92-L252 HydrophobicContact CH2-CD2 4.31Å; W92-L252 HydrophobicContact CZ2-CD1 4.37Å
93T86.8Confident90.1Very high20 Ų2030.6 Ų30.612%0.12318%0.175CC..  trans-101126.1172.5-56.40000109.1M31 N35 E91M31-T93 HydrophobicContact CB-CG2 3.84Å; N35-T93 WeakPolarHBondContact ND2-CG2 3.38Å; N35-T93 PolarHBondContact ND2-OG1 3.1Å; N35-T93 VanDerWaalsContact ND2-OG1 3.15Å; E91-T93 PolarHBondContact O-N 3.19Å
94L79.3Confident90Very high14 Ų1432.1 Ų32.17%0.07318%0.183CC..  trans-116.3153.3176.7-71.3174.6000110.3W92 L98 I256W92-L94 HydrophobicContact CD2-CD1 4.15Å; W92-L94 HydrophobicContact CD2-CD2 4.33Å; W92-L94 HydrophobicContact CD2-CG 4.08Å; W92-L94 HydrophobicContact CE3-CD1 3.99Å; W92-L94 HydrophobicContact CE3-CG 4.41Å; W92-L94 HydrophobicContact CH2-CD1 3.7Å; W92-L94 HydrophobicContact CH2-CD2 4.33Å; W92-L94 HydrophobicContact CH2-CG 4.41Å; W92-L94 HydrophobicContact CZ2-CD1 3.87Å; W92-L94 HydrophobicContact CZ2-CD2 3.64Å; W92-L94 HydrophobicContact CZ2-CG 4.08Å; W92-L94 HydrophobicContact CZ3-CD1 3.75Å; L94-L98 HydrophobicContact CB-CB 3.79Å; L94-L98 HydrophobicContact CB-CD1 4.42Å; L94-L98 HydrophobicContact CD1-CB 3.87Å; L94-L98 HydrophobicContact CD1-CD1 4.03Å; L94-L98 HydrophobicContact CG-CB 4.49Å; L94-I256 HydrophobicContact CD2-CD1 4.4Å
95P76.7Confident90.2Very high58 Ų5831.1 Ų31.138%0.37718%0.178SC..  trans-65.9145.1173.427.7-33.6000110.7L98P95-L98 WeakPolarHBondContact O-CB 2.98Å; P95-L98 PolarHBondContact O-N 3.3Å; P95-L98 VanDerWaalsContact O-N 3.13Å
96P76.3Confident90.3Very high121 Ų12133.5 Ų33.579%0.78619%0.191SC*.THydrogen-bonded Turntrans-52.6144.5169.8-25.234.3000111.4
97P78Confident90.2Very high70 Ų7040.5 Ų40.546%0.45522%0.222SC..THydrogen-bonded Turncis-90.310.38.736.8-37.2000114.8I6I6-P97 HydrophobicContact CD1-CG 3.99Å; I6-P97 HydrophobicContact CG1-CG 4.36Å
98L79.9Confident90.1Very high57 Ų5742.2 Ų42.230%0.29823%0.23SC..SBendtrans-72.3139.1-179.5-61.1174.1000110.4L94 P95 I256L94-L98 HydrophobicContact CB-CB 3.79Å; L94-L98 HydrophobicContact CB-CD1 4.42Å; L94-L98 HydrophobicContact CD1-CB 3.87Å; L94-L98 HydrophobicContact CD1-CD1 4.03Å; L94-L98 HydrophobicContact CG-CB 4.49Å; P95-L98 WeakPolarHBondContact O-CB 2.98Å; P95-L98 PolarHBondContact O-N 3.3Å; P95-L98 VanDerWaalsContact O-N 3.13Å; L98-I256 HydrophobicContact CD1-CD1 3.36Å
99N82.8Confident90.1Very high77 Ų7747 Ų4741%0.41226%0.262SS..PPolyproline II helixtrans-72.7139.3178.6-65-64.1000110.4L104N99-L104 HydrophobicContact CB-CD1 4.19Å; N99-L104 HydrophobicContact CB-CD2 3.82Å; N99-L104 HydrophobicContact CB-CG 3.73Å
100S90.6Very high90Very high14 Ų1449 Ų4910%0.09828%0.277CS..PPolyproline II helixtrans-71.4157.8167.175.80000110.7W92 L102 D103 L104W92-S100 WeakPolarHBondContact O-CA 3.43Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.37Å; S100-D103 PolarHBondContact O-N 3.2Å; S100-D103 PolarHBondContact OG-N 3.36Å; S100-D103 PolarHBondContact OG-OD2 3.41Å; S100-L104 PolarHBondContact O-N 2.85Å; S100-L104 VanDerWaalsContact O-N 3.1Å
101G94.5Very high90Very high1 Ų153.3 Ų53.31%0.0131%0.305CS..Hα-helixtrans-62.1-35.5176.100000113.3P88 F89 W92 L104 A105P88-G101 WeakPolarHBondContact CB-O 3.44Å; F89-G101 WeakPolarHBondContact O-CA 3.22Å; W92-G101 PolarHBondContact O-N 3.42Å; G101-L104 PolarHBondContact O-N 2.97Å; G101-A105 VanDerWaalsContact O-CB 3.25Å; G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 2.71Å
102L94.3Very high90.1Very high13 Ų1353.5 Ų53.57%0.06831%0.306CS..Hα-helixtrans-61-45.2172.9-76.2179.4000112.1K38 I39 F42 L90 S100 L104 A105 N106K38-L102 HydrophobicContact CB-CD1 3.71Å; I39-L102 HydrophobicContact CG1-CD1 3.72Å; I39-L102 HydrophobicContact CG1-CG 4.29Å; F42-L102 HydrophobicContact CB-CD2 4.24Å; F42-L102 HydrophobicContact CD2-CD2 3.67Å; F42-L102 HydrophobicContact CE2-CD2 4.43Å; F42-L102 HydrophobicContact CG-CD2 4.26Å; L90-L102 HydrophobicContact CD2-CD2 4.45Å; L90-L102 WeakPolarHBondContact O-CG 3.42Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.37Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 2.99Å; L102-N106 WeakPolarHBondContact O-CB 3.44Å; L102-N106 VanDerWaalsContact O-CG 3.27Å; L102-N106 PolarHBondContact O-N 3.4Å; L102-N106 PolarHBondContact O-ND2 2.66Å; L102-N106 VanDerWaalsContact O-ND2 3.16Å
103D93.2Very high90.4Very high75 Ų7552.6 Ų52.640%0.40130%0.303SS..Hα-helixtrans-63.8-40.9-179.5-63.6-43.1000111.4S100 K107S100-D103 PolarHBondContact O-N 3.2Å; S100-D103 PolarHBondContact OG-N 3.36Å; S100-D103 PolarHBondContact OG-OD2 3.41Å; D103-K107 VanDerWaalsContact O-CG 3.28Å; D103-K107 WeakPolarHBondContact O-CG 3.5Å; D103-K107 PolarHBondContact O-N 3.07Å
104L95.4Very high91Very high33 Ų3351.7 Ų51.717%0.17330%0.297CS..Hα-helixtrans-65-47.5174.8-68.5172.1000111.2P88 N99 S100 G101 L102 N106 K107 M108P88-L104 HydrophobicContact CB-CB 3.95Å; P88-L104 HydrophobicContact CG-CB 3.79Å; N99-L104 HydrophobicContact CB-CD1 4.19Å; N99-L104 HydrophobicContact CB-CD2 3.82Å; N99-L104 HydrophobicContact CB-CG 3.73Å; S100-L104 PolarHBondContact O-N 2.85Å; S100-L104 VanDerWaalsContact O-N 3.1Å; G101-L104 PolarHBondContact O-N 2.97Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 2.88Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 3.33Å; L104-M108 WeakPolarHBondContact O-CB 3.33Å; L104-M108 PolarHBondContact O-N 3.25Å
105A97.1Very high91.9Very high0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-61.6-37.8-179.500000112.7F42 P88 L90 G101 L102 R112 L114F42-A105 HydrophobicContact CE2-CB 3.76Å; F42-A105 HydrophobicContact CZ-CB 4Å; P88-A105 HydrophobicContact CB-CB 3.89Å; P88-A105 HydrophobicContact CG-CB 4.33Å; L90-A105 HydrophobicContact CD2-CB 4.16Å; G101-A105 VanDerWaalsContact O-CB 3.25Å; G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 2.71Å; L102-A105 PolarHBondContact O-N 2.99Å; A105-R112 WeakPolarHBondContact O-CD 3.3Å; A105-R112 PolarHBondContact O-NH1 2.79Å; A105-L114 HydrophobicContact CB-CD2 3.79Å
106N95.8Very high92.9Very high100 Ų10048.9 Ų48.954%0.53528%0.279SS..Hα-helixtrans-72.3-33.3178.9-74-31.1000112.9L102 L104L102-N106 WeakPolarHBondContact O-CB 3.44Å; L102-N106 VanDerWaalsContact O-CG 3.27Å; L102-N106 PolarHBondContact O-N 3.4Å; L102-N106 PolarHBondContact O-ND2 2.66Å; L102-N106 VanDerWaalsContact O-ND2 3.16Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.1Å
107K95.5Very high94Very high154 Ų15443.6 Ų43.667%0.6724%0.243SC*.Hα-helixtrans-83-21.1178-67.4172.1-171.2172.30113.1D103 L104D103-K107 VanDerWaalsContact O-CG 3.28Å; D103-K107 WeakPolarHBondContact O-CG 3.5Å; D103-K107 PolarHBondContact O-N 3.07Å; L104-K107 PolarHBondContact O-N 3.33Å
108M96.2Very high95Very high38 Ų3840.3 Ų40.319%0.18722%0.222CC..SBendtrans-68.4129.5-175.9-175171.2-73.700111.9K45 D85 R86 P88 L104 R112K45-M108 PolarHBondContact NZ-O 2.94Å; D85-M108 WeakPolarHBondContact O-CE 3.41Å; R86-M108 WeakPolarHBondContact O-CE 3.25Å; P88-M108 VanDerWaalsContact CD-CE 3.45Å; P88-M108 HydrophobicContact CG-CE 3.52Å; P88-M108 HydrophobicContact CG-SD 4.13Å; L104-M108 WeakPolarHBondContact O-CB 3.33Å; L104-M108 PolarHBondContact O-N 3.25Å; M108-R112 HydrophobicContact CB-CG 4.28Å; M108-R112 HydrophobicContact CG-CG 4.01Å; M108-R112 HydrophobicContact SD-CB 4.14Å; M108-R112 HydrophobicContact SD-CG 4.28Å
109P95.8Very high95.9Very high101 Ų10137.7 Ų37.766%0.65621%0.209SC*.PPolyproline II helixtrans-67154.8172.929.8-35.1000111
110S96.8Very high96.6Very high55 Ų5535 Ų3539%0.38520%0.195SC..SBendtrans-73.2151172.2-89.60000111.7K45 D47K45-S110 WeakPolarHBondContact CD-OG 3.42Å; K45-S110 PolarHBondContact NZ-OG 3.47Å; D47-S110 PolarHBondContact OD1-OG 2.96Å; D47-S110 WeakPolarHBondContact OD2-CB 3.35Å; D47-S110 PolarHBondContact OD2-OG 3.24Å
111P96.6Very high97Very high94 Ų9439.2 Ų39.261%0.6121%0.213SC*.SBendcis-75.2144.1-7.231.1-34.5000111.8D47D47-P111 HydrophobicContact CB-CB 4.39Å; D47-P111 WeakPolarHBondContact OD2-CA 3.21Å
112R98.2Very high97.1Very high4 Ų439.2 Ų39.22%0.01521%0.213CC..PPolyproline II helixtrans-103.6138179.9-48.7-179.5-71.3-173.12.1110.6Q43 D48 L49 A105 M108 L114Q43-R112 PolarHBondContact O-NH2 3.19Å; D48-R112 WeakPolarHBondContact CA-O 3.15Å; D48-R112 WeakPolarHBondContact OD1-CB 3.43Å; D48-R112 IonicContact OD1-CZ 2.91Å; D48-R112 IonicContact OD1-NE 2.71Å; D48-R112 PolarHBondContact OD1-NE 2.97Å; D48-R112 IonicContact OD1-NH2 2.6Å; D48-R112 PolarHBondContact OD1-NH2 2.89Å; D48-R112 IonicContact OD2-CZ 2.8Å; D48-R112 IonicContact OD2-NE 2.79Å; D48-R112 PolarHBondContact OD2-NE 2.59Å; D48-R112 IonicContact OD2-NH2 3.61Å; D48-R112 PolarHBondContact OD2-NH2 2.8Å; L49-R112 PolarHBondContact N-O 3.13Å; A105-R112 WeakPolarHBondContact O-CD 3.3Å; A105-R112 PolarHBondContact O-NH1 2.79Å; M108-R112 HydrophobicContact CB-CG 4.28Å; M108-R112 HydrophobicContact CG-CG 4.01Å; M108-R112 HydrophobicContact SD-CB 4.14Å; M108-R112 HydrophobicContact SD-CG 4.28Å; R112-L114 HydrophobicContact CB-CD2 4.06Å; R112-L114 HydrophobicContact CB-CG 4.16Å
113T98.7Very high97.3Very high6 Ų638.6 Ų38.64%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-108.1117.7164.8-61.60000108L49 I51 V66 Q70 H87L49-T113 HydrophobicContact CD2-CG2 3.99Å; L49-T113 HydrophobicContact CG-CG2 4.3Å; L49-T113 CarbonylContact O-C 3.58Å; L49-T113 WeakPolarHBondContact O-CA 3.34Å; I51-T113 HydrophobicContact CD1-CG2 3.79Å; I51-T113 HydrophobicContact CG1-CG2 4.27Å; V66-T113 HydrophobicContact CG1-CG2 3.91Å; Q70-T113 PolarHBondContact NE2-OG1 3Å; Q70-T113 PolarHBondContact OE1-OG1 2.97Å; H87-T113 WeakPolarHBondContact CA-O 3.33Å; H87-T113 WeakPolarHBondContact CD2-CG2 3.34Å
114L98.8Very high97.6Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-114.1157.3-172.5-55.4173.3000110F42 L49 L50 I51 P88 L90 A105 R112 F127F42-L114 HydrophobicContact CE1-CD1 3.81Å; F42-L114 HydrophobicContact CZ-CD1 3.81Å; L49-L114 PolarHBondContact O-N 2.87Å; L50-L114 HydrophobicContact CD1-CB 4.03Å; I51-L114 PolarHBondContact N-O 3.1Å; P88-L114 HydrophobicContact CB-CD2 4.13Å; P88-L114 HydrophobicContact CG-CD2 4.2Å; L90-L114 HydrophobicContact CD2-CD1 4.24Å; L90-L114 HydrophobicContact CG-CB 4.46Å; A105-L114 HydrophobicContact CB-CD2 3.79Å; R112-L114 HydrophobicContact CB-CD2 4.06Å; R112-L114 HydrophobicContact CB-CG 4.16Å; L114-F127 HydrophobicContact CD1-CE1 4.12Å; L114-F127 HydrophobicContact CD1-CZ 3.87Å
115K98.6Very high97.8Very high13 Ų1336.2 Ų36.26%0.05720%0.2CC..EExtended strand (participates in β ladder)trans-120.4145.6175.4168.5-172.2164.1-173.50110.7I51 T59 P88 F89 L90 H117I51-K115 WeakPolarHBondContact O-CA 3.42Å; T59-K115 HydrophobicContact CG2-CD 3.57Å; T59-K115 HydrophobicContact CG2-CG 3.67Å; P88-K115 PolarHBondContact O-N 2.84Å; F89-K115 HydrophobicContact CB-CD 4.32Å; F89-K115 HydrophobicContact CD2-CD 4.15Å; F89-K115 HydrophobicContact CD2-CG 3.99Å; F89-K115 HydrophobicContact CG-CD 4.12Å; F89-K115 HydrophobicContact CG-CG 4.39Å; L90-K115 PolarHBondContact N-O 2.85Å; K115-H117 WeakPolarHBondContact CE-NE2 3.39Å; K115-H117 PolarHBondContact NZ-NE2 2.97Å
116T98.9Very high97.8Very high0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-144.9157.8165.3-166.80000113.2L50 I51 A52 T53 E91 L118 L123L50-T116 HydrophobicContact CD1-CG2 3.88Å; L50-T116 HydrophobicContact CD2-CG2 3.97Å; L50-T116 HydrophobicContact CG-CG2 4.14Å; I51-T116 PolarHBondContact O-N 3.36Å; A52-T116 HydrophobicContact CB-CG2 3.92Å; T53-T116 PolarHBondContact N-O 3.23Å; E91-T116 PolarHBondContact OE1-OG1 2.95Å; E91-T116 WeakPolarHBondContact OE2-CB 3.28Å; E91-T116 PolarHBondContact OE2-OG1 2.81Å; T116-L118 WeakPolarHBondContact OG1-CB 3.47Å; T116-L118 VanDerWaalsContact OG1-CG 3.26Å; T116-L118 WeakPolarHBondContact OG1-CG 3.44Å; T116-L118 PolarHBondContact OG1-N 3.1Å; T116-L123 HydrophobicContact CG2-CD1 4.06Å
117H98.8Very high98Very high10 Ų1032 Ų325%0.04618%0.179CC..  trans-116.512.2166.4-68.7-43.6000111.7T53 T59 F89 E91 K115 W178 H184T53-H117 WeakPolarHBondContact O-CA 3.4Å; T53-H117 PolarHBondContact O-ND1 3.14Å; T53-H117 PolarHBondContact OG1-CE1 2.76Å; T53-H117 PolarHBondContact OG1-ND1 3.46Å; T53-H117 VanDerWaalsContact OG1-ND1 3.11Å; T59-H117 PolarHBondContact OG1-CE1 3.24Å; T59-H117 VanDerWaalsContact OG1-CE1 3.25Å; F89-H117 AromaticContact CE1-CD2 3.95Å; F89-H117 HydrophobicContact CE2-CB 4.23Å; F89-H117 AromaticContact CE2-CD2 3.83Å; F89-H117 HydrophobicContact CZ-CB 4.16Å; F89-H117 AromaticContact CZ-CD2 3.3Å; F89-H117 WeakPolarHBondContact CZ-CD2 3.17Å; F89-H117 AromaticContact CZ-CG 3.94Å; E91-H117 WeakPolarHBondContact OE1-CA 3.36Å; E91-H117 PolarHBondContact OE1-N 3.01Å; K115-H117 WeakPolarHBondContact CE-NE2 3.39Å; K115-H117 PolarHBondContact NZ-NE2 2.97Å; H117-W178 HydrophobicContact CB-CD2 3.73Å; H117-W178 HydrophobicContact CB-CE3 4.44Å; H117-W178 HydrophobicContact CB-CG 3.8Å; H117-W178 HydrophobicContact CB-CZ2 4.16Å; H117-W178 AromaticContact CD2-CH2 4Å; H117-W178 AromaticContact CD2-CZ2 3.89Å; H117-H184 PolarHBondContact O-NE2 2.71Å
118L98.7Very high98.1Very high1 Ų127.7 Ų27.71%0.00516%0.158CC..  trans-67.6136.8178.2-65.1172.2000110.7M28 W36 I39 E91 T116 M122 H184 W188M28-L118 HydrophobicContact CE-CD2 3.7Å; W36-L118 HydrophobicContact CH2-CD1 4.18Å; W36-L118 HydrophobicContact CH2-CD2 4.11Å; W36-L118 HydrophobicContact CZ3-CD1 4.08Å; W36-L118 HydrophobicContact CZ3-CD2 3.75Å; I39-L118 HydrophobicContact CG2-CD1 3.94Å; E91-L118 HydrophobicContact CB-CD2 4.43Å; E91-L118 HydrophobicContact CG-CD2 4.33Å; E91-L118 HydrophobicContact CG-CG 4.45Å; E91-L118 PolarHBondContact OE1-N 3.32Å; T116-L118 WeakPolarHBondContact OG1-CB 3.47Å; T116-L118 VanDerWaalsContact OG1-CG 3.26Å; T116-L118 WeakPolarHBondContact OG1-CG 3.44Å; T116-L118 PolarHBondContact OG1-N 3.1Å; L118-M122 HydrophobicContact CB-CB 4.24Å; L118-M122 HydrophobicContact CD2-CB 4.38Å; L118-M122 HydrophobicContact CD2-CE 4.5Å; L118-H184 PolarHBondContact O-NE2 3.44Å; L118-W188 PolarHBondContact O-NE1 3.43Å
119P98.5Very high98.2Very high3 Ų333.5 Ų33.52%0.01918%0.182CC..  trans-64.8155.3168.731-35.5000109.5I26 Q121 M122 L123I26-P119 HydrophobicContact CD1-CG 4.44Å; I26-P119 HydrophobicContact CG1-CG 4.11Å; I26-P119 HydrophobicContact CG2-CG 4.43Å; P119-Q121 PolarHBondContact O-N 2.91Å; P119-Q121 VanDerWaalsContact O-N 3.1Å; P119-M122 HydrophobicContact CG-CB 4.01Å; P119-M122 HydrophobicContact CG-CG 3.96Å; P119-M122 HydrophobicContact CG-SD 3.78Å; P119-M122 WeakPolarHBondContact O-CA 3.38Å; P119-M122 WeakPolarHBondContact O-CB 3.41Å; P119-M122 PolarHBondContact O-N 2.99Å; P119-L123 PolarHBondContact O-N 3.44Å
120V98.3Very high98.3Very high19 Ų1931.6 Ų31.612%0.11517%0.165CC..G310 helixtrans-52.9-39.9-168.269.90000113.6M122 L123 W128 W188 V191V120-M122 PolarHBondContact O-N 3.04Å; V120-L123 WeakPolarHBondContact O-CB 3.46Å; V120-L123 PolarHBondContact O-N 3.4Å; V120-L123 VanDerWaalsContact O-N 3.16Å; V120-W128 HydrophobicContact CG2-CH2 3.84Å; V120-W128 HydrophobicContact CG2-CZ2 3.66Å; V120-W188 HydrophobicContact CB-CD2 4.13Å; V120-W188 HydrophobicContact CB-CG 4.21Å; V120-W188 HydrophobicContact CG2-CD2 4.33Å; V120-W188 HydrophobicContact CG2-CE3 4.38Å; V120-V191 HydrophobicContact CG2-CG1 4.35Å; V120-V191 HydrophobicContact CG2-CG2 3.68Å
121Q97.8Very high98.4Very high103 Ų10333.6 Ų33.648%0.48117%0.171SC..G310 helixtrans-70.9-13-179.472.3-8012.200113.6P119P119-Q121 PolarHBondContact O-N 2.91Å; P119-Q121 VanDerWaalsContact O-N 3.1Å
122M98.3Very high98.5Very high1 Ų129.3 Ų29.31%0.00514%0.143CC..G310 helixtrans-105-0.7177-70.5-173.875.300112.2V23 I26 M28 W36 L118 P119 V120V23-M122 HydrophobicContact CB-CE 4.01Å; V23-M122 HydrophobicContact CG1-CE 3.79Å; I26-M122 HydrophobicContact CB-CE 4.44Å; I26-M122 HydrophobicContact CB-SD 3.55Å; I26-M122 VanDerWaalsContact CB-SD 3.55Å; I26-M122 HydrophobicContact CG1-SD 3.45Å; I26-M122 WeakPolarHBondContact CG1-SD 3.25Å; I26-M122 HydrophobicContact CG2-SD 4.01Å; M28-M122 HydrophobicContact SD-CE 3.76Å; W36-M122 HydrophobicContact CD2-CE 4.38Å; W36-M122 HydrophobicContact CE3-CE 4.17Å; W36-M122 HydrophobicContact CH2-CB 3.78Å; W36-M122 HydrophobicContact CH2-CE 3.35Å; W36-M122 HydrophobicContact CH2-CG 4.29Å; W36-M122 WeakPolarHBondContact CH2-O 3.37Å; W36-M122 HydrophobicContact CZ2-CB 4.2Å; W36-M122 HydrophobicContact CZ2-CE 3.52Å; W36-M122 HydrophobicContact CZ2-CG 4.34Å; W36-M122 HydrophobicContact CZ3-CE 3.69Å; L118-M122 HydrophobicContact CB-CB 4.24Å; L118-M122 HydrophobicContact CD2-CB 4.38Å; L118-M122 HydrophobicContact CD2-CE 4.5Å; P119-M122 HydrophobicContact CG-CB 4.01Å; P119-M122 HydrophobicContact CG-CG 3.96Å; P119-M122 HydrophobicContact CG-SD 3.78Å; P119-M122 WeakPolarHBondContact O-CA 3.38Å; P119-M122 WeakPolarHBondContact O-CB 3.41Å; P119-M122 PolarHBondContact O-N 2.99Å; V120-M122 PolarHBondContact O-N 3.04Å
123L98.6Very high98.5Very high1 Ų131 Ų311%0.00515%0.151CC..SBendtrans-64.9134.7176.6-17070.8000110.5W40 L50 T116 P119 V120 F127 W128 I134 W188W40-L123 WeakPolarHBondContact CZ3-O 3.33Å; L50-L123 HydrophobicContact CD2-CD1 3.45Å; L50-L123 VanDerWaalsContact CD2-CD1 3.45Å; L50-L123 HydrophobicContact CD2-CD2 4.04Å; L50-L123 HydrophobicContact CD2-CG 4.39Å; T116-L123 HydrophobicContact CG2-CD1 4.06Å; P119-L123 PolarHBondContact O-N 3.44Å; V120-L123 WeakPolarHBondContact O-CB 3.46Å; V120-L123 PolarHBondContact O-N 3.4Å; V120-L123 VanDerWaalsContact O-N 3.16Å; L123-F127 HydrophobicContact CD1-CD2 3.95Å; L123-F127 HydrophobicContact CD1-CE2 4.4Å; L123-F127 HydrophobicContact CD2-CB 3.73Å; L123-F127 HydrophobicContact CD2-CD2 4.28Å; L123-F127 HydrophobicContact CD2-CG 4.2Å; L123-F127 HydrophobicContact CG-CB 4.24Å; L123-F127 HydrophobicContact CG-CD2 3.94Å; L123-F127 HydrophobicContact CG-CG 4.37Å; L123-W128 HydrophobicContact CB-CZ2 3.85Å; L123-W128 HydrophobicContact CD2-CD2 4.17Å; L123-W128 HydrophobicContact CD2-CE3 4.42Å; L123-W128 HydrophobicContact CD2-CH2 3.59Å; L123-W128 HydrophobicContact CD2-CZ2 3.26Å; L123-W128 HydrophobicContact CD2-CZ3 4.16Å; L123-W128 HydrophobicContact CG-CZ2 4.15Å; L123-I134 HydrophobicContact CD2-CD1 4.05Å; L123-W188 HydrophobicContact CD1-CH2 4.26Å; L123-W188 HydrophobicContact CD1-CZ2 4.44Å; L123-W188 HydrophobicContact CD2-CH2 3.81Å; L123-W188 HydrophobicContact CG-CH2 4.48Å
124P98.6Very high98.5Very high1 Ų130.9 Ų30.91%0.00615%0.15CC..  trans-51.9126.7176.3-28.936.8000111.3I39 F42 S126 F127I39-P124 VanDerWaalsContact O-CG 3.22Å; I39-P124 WeakPolarHBondContact O-CG 3.49Å; F42-P124 HydrophobicContact CB-CB 4.23Å; F42-P124 HydrophobicContact CB-CG 4.25Å; P124-S126 PolarHBondContact O-N 3.23Å; P124-F127 HydrophobicContact CB-CD2 3.96Å; P124-F127 HydrophobicContact CB-CE2 4.15Å; P124-F127 HydrophobicContact CG-CD2 4.21Å; P124-F127 HydrophobicContact CG-CE2 4.07Å; P124-F127 PolarHBondContact O-N 3.33Å; P124-F127 VanDerWaalsContact O-N 3.1Å
125P98.6Very high98.5Very high57 Ų5730.9 Ų30.937%0.3715%0.15SC..Hα-helixtrans-58.7-21-172.9-29.135.7000115.1W40 F127 W128 K129W40-P125 HydrophobicContact CD2-CG 4.41Å; W40-P125 HydrophobicContact CH2-CG 3.82Å; W40-P125 HydrophobicContact CZ2-CG 3.43Å; W40-P125 VanDerWaalsContact CZ2-CG 3.43Å; W40-P125 HydrophobicContact CZ3-CG 4.42Å; W40-P125 WeakPolarHBondContact O-CD 3.35Å; P125-F127 VanDerWaalsContact C-N 3.28Å; P125-F127 PolarHBondContact O-N 3.02Å; P125-W128 PolarHBondContact O-N 3Å; P125-K129 PolarHBondContact O-N 2.94Å; P125-K129 VanDerWaalsContact O-N 3.12Å
126S98.7Very high98.5Very high11 Ų1130.2 Ų30.28%0.07715%0.147CC..Hα-helixtrans-61.2-32.6177.359.60000113F42 A44 P124 W128 K129 E130F42-S126 WeakPolarHBondContact O-CB 3.35Å; F42-S126 PolarHBondContact O-OG 3.4Å; A44-S126 PolarHBondContact N-OG 3.46Å; P124-S126 PolarHBondContact O-N 3.23Å; S126-W128 VanDerWaalsContact C-N 3.31Å; S126-W128 PolarHBondContact O-N 3.21Å; S126-K129 PolarHBondContact O-N 2.62Å; S126-E130 WeakPolarHBondContact O-CB 3.49Å; S126-E130 WeakPolarHBondContact O-CG 3.48Å; S126-E130 PolarHBondContact O-N 3.42Å
127F98.7Very high98.5Very high1 Ų130.2 Ų30.20%0.00415%0.147CC..Hα-helixtrans-62.3-39.1176.2-75.5-73.8000112.2F42 A44 D48 L50 L90 L114 L123 P124 P125 N131 S132F42-F127 AromaticContact CD1-CE2 3.82Å; F42-F127 HydrophobicContact CD1-CE2 3.82Å; F42-F127 AromaticContact CD1-CZ 3.92Å; F42-F127 HydrophobicContact CD1-CZ 3.92Å; F42-F127 HydrophobicContact CE1-CE2 4.09Å; F42-F127 AromaticContact CE1-CZ 3.69Å; F42-F127 HydrophobicContact CE1-CZ 3.69Å; A44-F127 HydrophobicContact CB-CD1 3.67Å; A44-F127 HydrophobicContact CB-CD2 4.37Å; A44-F127 HydrophobicContact CB-CE1 3.82Å; A44-F127 HydrophobicContact CB-CG 3.95Å; A44-F127 HydrophobicContact CB-CZ 4.23Å; D48-F127 HydrophobicContact CB-CE1 4.49Å; L50-F127 HydrophobicContact CB-CD1 4.37Å; L50-F127 HydrophobicContact CB-CE1 4.17Å; L50-F127 HydrophobicContact CD1-CE1 4.21Å; L50-F127 HydrophobicContact CD1-CZ 4.08Å; L50-F127 HydrophobicContact CD2-CD1 4.26Å; L50-F127 HydrophobicContact CD2-CE1 4.37Å; L50-F127 HydrophobicContact CD2-CG 4.37Å; L50-F127 HydrophobicContact CG-CE1 4.49Å; L90-F127 HydrophobicContact CD1-CE2 3.65Å; L90-F127 HydrophobicContact CD1-CZ 3.66Å; L114-F127 HydrophobicContact CD1-CE1 4.12Å; L114-F127 HydrophobicContact CD1-CZ 3.87Å; L123-F127 HydrophobicContact CD1-CD2 3.95Å; L123-F127 HydrophobicContact CD1-CE2 4.4Å; L123-F127 HydrophobicContact CD2-CB 3.73Å; L123-F127 HydrophobicContact CD2-CD2 4.28Å; L123-F127 HydrophobicContact CD2-CG 4.2Å; L123-F127 HydrophobicContact CG-CB 4.24Å; L123-F127 HydrophobicContact CG-CD2 3.94Å; L123-F127 HydrophobicContact CG-CG 4.37Å; P124-F127 HydrophobicContact CB-CD2 3.96Å; P124-F127 HydrophobicContact CB-CE2 4.15Å; P124-F127 HydrophobicContact CG-CD2 4.21Å; P124-F127 HydrophobicContact CG-CE2 4.07Å; P124-F127 PolarHBondContact O-N 3.33Å; P124-F127 VanDerWaalsContact O-N 3.1Å; P125-F127 VanDerWaalsContact C-N 3.28Å; P125-F127 PolarHBondContact O-N 3.02Å; F127-N131 PolarHBondContact O-N 3.1Å; F127-S132 PolarHBondContact O-N 2.8Å; F127-S132 VanDerWaalsContact O-N 3.08Å; F127-S132 PolarHBondContact O-OG 2.9Å
128W98.4Very high98.5Very high62 Ų6229.8 Ų29.824%0.23515%0.145CC..Hα-helixtrans-70.1-42.9175.7-49.8126.5000111.3V120 L123 P125 S126 E130 N131 I134 W188 V191 H195 I197V120-W128 HydrophobicContact CG2-CH2 3.84Å; V120-W128 HydrophobicContact CG2-CZ2 3.66Å; L123-W128 HydrophobicContact CB-CZ2 3.85Å; L123-W128 HydrophobicContact CD2-CD2 4.17Å; L123-W128 HydrophobicContact CD2-CE3 4.42Å; L123-W128 HydrophobicContact CD2-CH2 3.59Å; L123-W128 HydrophobicContact CD2-CZ2 3.26Å; L123-W128 HydrophobicContact CD2-CZ3 4.16Å; L123-W128 HydrophobicContact CG-CZ2 4.15Å; P125-W128 PolarHBondContact O-N 3Å; S126-W128 VanDerWaalsContact C-N 3.31Å; S126-W128 PolarHBondContact O-N 3.21Å; W128-E130 PolarHBondContact O-N 2.81Å; W128-N131 PolarHBondContact O-N 2.93Å; W128-I134 HydrophobicContact CE3-CD1 4.4Å; W128-I134 HydrophobicContact CH2-CD1 4.06Å; W128-I134 HydrophobicContact CZ3-CD1 3.67Å; W128-W188 HydrophobicContact CH2-CH2 4.24Å; W128-W188 AromaticContact CH2-CZ3 3.87Å; W128-W188 HydrophobicContact CH2-CZ3 3.87Å; W128-V191 HydrophobicContact CH2-CG2 4.44Å; W128-H195 HydrophobicContact CE3-CB 4.27Å; W128-H195 AromaticContact CE3-CD2 3.62Å; W128-H195 AromaticContact CE3-CE1 3.84Å; W128-H195 AromaticContact CE3-CG 3.64Å; W128-H195 AromaticContact CE3-ND1 3.77Å; W128-H195 AromaticContact CE3-NE2 3.76Å; W128-H195 HydrophobicContact CZ3-CB 3.98Å; W128-H195 AromaticContact CZ3-CD2 3.47Å; W128-H195 VanDerWaalsContact CZ3-CD2 3.47Å; W128-H195 WeakPolarHBondContact CZ3-CD2 3.19Å; W128-H195 AromaticContact CZ3-CG 3.65Å; W128-I197 HydrophobicContact CZ3-CD1 4.3Å
129K98.3Very high98.5Very high160 Ų16030.4 Ų30.470%0.69615%0.147SC*.Hα-helixtrans-60.6-44.2179.5-178-172.2169.4-165.50112.3P125 S126 N131P125-K129 PolarHBondContact O-N 2.94Å; P125-K129 VanDerWaalsContact O-N 3.12Å; S126-K129 PolarHBondContact O-N 2.62Å; K129-N131 PolarHBondContact O-N 3.02Å
130E98.3Very high98.6Very high61 Ų6130.3 Ų30.329%0.28515%0.147SC..THydrogen-bonded Turntrans-82.70.3-179.5-59.9-53.213800112.9A44 P46 S126 W128 S132A44-E130 HydrophobicContact CB-CG 4.41Å; P46-E130 WeakPolarHBondContact CG-OE2 3.43Å; S126-E130 WeakPolarHBondContact O-CB 3.49Å; S126-E130 WeakPolarHBondContact O-CG 3.48Å; S126-E130 PolarHBondContact O-N 3.42Å; W128-E130 PolarHBondContact O-N 2.81Å; E130-S132 PolarHBondContact O-N 3.19Å
131N97.8Very high98.6Very high97 Ų9729.6 Ų29.652%0.51914%0.142SC..THydrogen-bonded Turntrans50.542.9-175.9-169.643.1000112.4F127 W128 K129F127-N131 PolarHBondContact O-N 3.1Å; W128-N131 PolarHBondContact O-N 2.93Å; K129-N131 PolarHBondContact O-N 3.02Å
132S98.3Very high98.6Very high4 Ų425 Ų253%0.02812%0.121CC..  trans-58.8147.3-176.4-57.80000111.6F127 E130F127-S132 PolarHBondContact O-N 2.8Å; F127-S132 VanDerWaalsContact O-N 3.08Å; F127-S132 PolarHBondContact O-OG 2.9Å; E130-S132 PolarHBondContact O-N 3.19Å
133K98.8Very high98.7Very high41 Ų4125 Ų2518%0.17812%0.121CC..EExtended strand (participates in β ladder)trans-68.7131.9169.9-75.8-177.5-179.1-1690109.3L49 L50 H196 F219 E221L49-K133 HydrophobicContact CD1-CB 3.76Å; L50-K133 PolarHBondContact N-O 3.35Å; K133-H196 VanDerWaalsContact CE-CE1 3.48Å; K133-H196 WeakPolarHBondContact CE-CE1 3.48Å; K133-F219 HydrophobicContact CB-CE1 3.89Å; K133-F219 HydrophobicContact CB-CZ 4.1Å; K133-F219 HydrophobicContact CD-CE1 4.46Å; K133-F219 HydrophobicContact CG-CE1 4.3Å; K133-F219 HydrophobicContact CG-CZ 4.32Å; K133-F219 PolarHBondContact NZ-O 3.38Å; K133-E221 WeakPolarHBondContact CE-OE1 3.24Å; K133-E221 IonicContact NZ-OE1 3.87Å; K133-E221 PolarHBondContact NZ-OE1 3.47Å; K133-E221 IonicContact NZ-OE2 3.2Å
134I98.9Very high98.6Very high2 Ų225 Ų251%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-126.7128177.1-49.9179.3000110L50 A52 L123 W128 W188 H196 I197 L198 F219L50-I134 HydrophobicContact CB-CG1 4.16Å; L50-I134 HydrophobicContact CB-CG2 4.33Å; L50-I134 HydrophobicContact CD2-CD1 4.24Å; L50-I134 HydrophobicContact CD2-CG1 4.32Å; L50-I134 HydrophobicContact CD2-CG2 4.26Å; L50-I134 HydrophobicContact CG-CG2 4.45Å; L50-I134 CarbonylContact O-C 3.52Å; L50-I134 VanDerWaalsContact O-CA 3.28Å; L50-I134 WeakPolarHBondContact O-CA 3.27Å; A52-I134 HydrophobicContact CB-CG2 4.06Å; L123-I134 HydrophobicContact CD2-CD1 4.05Å; W128-I134 HydrophobicContact CE3-CD1 4.4Å; W128-I134 HydrophobicContact CH2-CD1 4.06Å; W128-I134 HydrophobicContact CZ3-CD1 3.67Å; I134-W188 HydrophobicContact CD1-CH2 4.2Å; I134-W188 HydrophobicContact CD1-CZ3 3.89Å; I134-W188 HydrophobicContact CG2-CH2 4.13Å; I134-W188 HydrophobicContact CG2-CZ3 3.76Å; I134-H196 PolarHBondContact N-O 2.94Å; I134-I197 HydrophobicContact CB-CG1 4Å; I134-I197 HydrophobicContact CD1-CG1 4.28Å; I134-I197 CarbonylContact O-C 3.59Å; I134-I197 VanDerWaalsContact O-CA 3.3Å; I134-I197 WeakPolarHBondContact O-CA 3.47Å; I134-L198 PolarHBondContact O-N 3.41Å; I134-F219 VanDerWaalsContact O-CZ 3.32Å; I134-F219 WeakPolarHBondContact O-CZ 3.31Å
135I98.9Very high98.7Very high0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-101.6115.1166.5-61.4170.3000107.1L49 L50 I51 A52 T62 V66 V137 L198 L200 I216 F219 L220L49-I135 HydrophobicContact CD1-CD1 4.13Å; L49-I135 HydrophobicContact CD1-CG1 4.14Å; L49-I135 HydrophobicContact CD2-CD1 4.44Å; L50-I135 PolarHBondContact O-N 3Å; I51-I135 WeakPolarHBondContact CA-O 3.44Å; A52-I135 PolarHBondContact N-O 3.48Å; T62-I135 HydrophobicContact CG2-CG2 3.84Å; V66-I135 HydrophobicContact CG2-CD1 3.74Å; I135-V137 HydrophobicContact CG2-CG2 4.17Å; I135-L198 HydrophobicContact CG1-CB 4.4Å; I135-L198 HydrophobicContact CG1-CD2 4.42Å; I135-L200 HydrophobicContact CG2-CD1 4Å; I135-I216 HydrophobicContact CD1-CG2 3.98Å; I135-F219 HydrophobicContact CD1-CD1 4.25Å; I135-F219 HydrophobicContact CD1-CE1 4.49Å; I135-F219 HydrophobicContact CG1-CD1 3.82Å; I135-F219 HydrophobicContact CG1-CE1 3.69Å; I135-L220 HydrophobicContact CD1-CD2 4.38Å
136Y98.9Very high98.7Very high0 Ų022.2 Ų22.20%010%0.103CC..EExtended strand (participates in β ladder)trans-101.6128.4173-172.4-92.5000110.5A52 A138 H184 W188 L198 Y199 L200A52-Y136 HydrophobicContact CB-CD2 3.87Å; A52-Y136 VanDerWaalsContact O-CA 3.25Å; A52-Y136 WeakPolarHBondContact O-CA 3.37Å; A52-Y136 WeakPolarHBondContact O-CD2 3.4Å; Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.86Å; Y136-H184 AromaticContact CE2-CE1 3.72Å; Y136-H184 AromaticContact CE2-ND1 3.82Å; Y136-H184 AromaticContact CZ-ND1 3.78Å; Y136-H184 PolarHBondContact OH-ND1 3.3Å; Y136-W188 HydrophobicContact CD1-CB 4.17Å; Y136-W188 HydrophobicContact CD2-CB 3.7Å; Y136-W188 AromaticContact CD2-CD1 3.81Å; Y136-W188 AromaticContact CD2-CD2 3.49Å; Y136-W188 HydrophobicContact CD2-CD2 3.49Å; Y136-W188 VanDerWaalsContact CD2-CD2 3.49Å; Y136-W188 AromaticContact CD2-CE2 3.96Å; Y136-W188 AromaticContact CD2-CE3 3.96Å; Y136-W188 HydrophobicContact CD2-CE3 3.96Å; Y136-W188 AromaticContact CD2-CG 3.38Å; Y136-W188 HydrophobicContact CD2-CG 3.38Å; Y136-W188 HydrophobicContact CE1-CB 4.03Å; Y136-W188 HydrophobicContact CE2-CB 3.58Å; Y136-W188 AromaticContact CE2-CD1 3.18Å; Y136-W188 AromaticContact CE2-CD2 3.73Å; Y136-W188 HydrophobicContact CE2-CD2 3.73Å; Y136-W188 AromaticContact CE2-CE2 3.98Å; Y136-W188 AromaticContact CE2-CG 3.19Å; Y136-W188 HydrophobicContact CE2-CG 3.19Å; Y136-W188 AromaticContact CE2-NE1 3.64Å; Y136-W188 HydrophobicContact CG-CB 3.99Å; Y136-W188 HydrophobicContact CG-CD2 4.35Å; Y136-W188 HydrophobicContact CG-CG 4.16Å; Y136-W188 AromaticContact CZ-CD1 3.8Å; Y136-W188 AromaticContact CZ-CG 3.82Å; Y136-L198 PolarHBondContact N-O 3.46Å; Y136-Y199 HydrophobicContact CD1-CD1 4.25Å; Y136-Y199 AromaticContact CD1-CD2 3.5Å; Y136-Y199 HydrophobicContact CD1-CD2 3.5Å; Y136-Y199 VanDerWaalsContact CD1-CD2 3.5Å; Y136-Y199 AromaticContact CD1-CE1 3.98Å; Y136-Y199 HydrophobicContact CD1-CE1 3.98Å; Y136-Y199 AromaticContact CD1-CE2 3.18Å; Y136-Y199 HydrophobicContact CD1-CE2 3.18Å; Y136-Y199 HydrophobicContact CD1-CG 4.04Å; Y136-Y199 AromaticContact CD1-CZ 3.46Å; Y136-Y199 VanDerWaalsContact CD1-CZ 3.46Å; Y136-Y199 HydrophobicContact CE1-CD2 4.24Å; Y136-Y199 HydrophobicContact CE1-CE1 4.17Å; Y136-Y199 AromaticContact CE1-CE2 3.45Å; Y136-Y199 HydrophobicContact CE1-CE2 3.45Å; Y136-Y199 VanDerWaalsContact CE1-CE2 3.45Å; Y136-Y199 AromaticContact CE1-CZ 3.41Å; Y136-Y199 VanDerWaalsContact CE1-CZ 3.41Å; Y136-Y199 WeakPolarHBondContact CE1-OH 3.43Å; Y136-Y199 HydrophobicContact CG-CD2 4.13Å; Y136-Y199 HydrophobicContact CG-CE2 4.09Å; Y136-Y199 CarbonylContact O-C 3.6Å; Y136-Y199 WeakPolarHBondContact O-CA 3.35Å; Y136-L200 PolarHBondContact O-N 2.72Å
137V98.9Very high98.7Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-117.2122.8173.2-169.60000110.7A52 T53 A57 T62 I135 L200 M205A52-V137 PolarHBondContact O-N 3.16Å; A52-V137 VanDerWaalsContact O-N 3.13Å; T53-V137 HydrophobicContact CG2-CB 3.75Å; T53-V137 HydrophobicContact CG2-CG2 4.34Å; T53-V137 WeakPolarHBondContact CG2-O 3.23Å; A57-V137 WeakPolarHBondContact CB-O 3.42Å; A57-V137 WeakPolarHBondContact O-CG1 3.43Å; T62-V137 HydrophobicContact CG2-CG2 4.04Å; T62-V137 WeakPolarHBondContact OG1-CG2 3.41Å; I135-V137 HydrophobicContact CG2-CG2 4.17Å; V137-L200 WeakPolarHBondContact CA-O 3.24Å; V137-L200 HydrophobicContact CG2-CB 4.22Å; V137-L200 HydrophobicContact CG2-CD1 4.42Å; V137-M205 HydrophobicContact CG1-SD 3.81Å; V137-M205 HydrophobicContact CG2-SD 4.39Å
138A98.9Very high98.7Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-102.1153.3173.400000110.7Y136 V185 Y199 L200 F201 Y202 F300Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.86Å; A138-V185 HydrophobicContact CB-CG1 4.37Å; A138-Y199 HydrophobicContact CB-CE1 3.54Å; A138-L200 PolarHBondContact N-O 3.11Å; A138-F201 HydrophobicContact CB-CD1 4.24Å; A138-F201 HydrophobicContact CB-CE1 4.37Å; A138-F201 CarbonylContact O-C 3.54Å; A138-F201 WeakPolarHBondContact O-CA 3.22Å; A138-Y202 PolarHBondContact O-N 2.93Å; A138-F300 HydrophobicContact CB-CE1 3.51Å; A138-F300 HydrophobicContact CB-CZ 3.77Å
139R98.9Very high98.7Very high14 Ų1420.9 Ų20.95%0.05310%0.099CC..  trans-140.4148.9174.2-179.6179.6-170.5-173.93.9108.3K56 A57 W181 Y202 E203 M269K56-R139 PolarHBondContact O-NH1 3.33Å; A57-R139 HydrophobicContact CB-CB 3.76Å; R139-W181 VanDerWaalsContact O-CZ2 3.3Å; R139-W181 WeakPolarHBondContact O-CZ2 3.28Å; R139-W181 PolarHBondContact O-NE1 2.79Å; R139-W181 VanDerWaalsContact O-NE1 3.11Å; R139-Y202 HydrophobicContact CB-CG 4.3Å; R139-Y202 HydrophobicContact CG-CD1 3.93Å; R139-Y202 HydrophobicContact CG-CG 3.98Å; R139-E203 WeakPolarHBondContact CG-OE1 3.31Å; R139-M269 PolarHBondContact NH2-O 3.25Å
140N98.9Very high98.7Very high2 Ų214.2 Ų14.21%0.0117%0.07CC..  trans-53.6142.517979.883.2000112K142 D143 C144 E203 F300 R301 T302N140-K142 VanDerWaalsContact C-N 3.33Å; N140-K142 PolarHBondContact O-N 3.42Å; N140-K142 PolarHBondContact OD1-N 2.97Å; N140-D143 PolarHBondContact ND2-OD2 3.21Å; N140-D143 PolarHBondContact O-N 3.01Å; N140-D143 PolarHBondContact OD1-N 3.03Å; N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 3.22Å; N140-E203 PolarHBondContact N-OE1 3Å; N140-E203 PolarHBondContact ND2-OE1 3.16Å; N140-F300 HydrophobicContact CB-CB 4.15Å; N140-F300 HydrophobicContact CB-CD1 4.42Å; N140-R301 VanDerWaalsContact CB-O 3.28Å; N140-R301 WeakPolarHBondContact CB-O 3.38Å; N140-R301 PolarHBondContact ND2-O 3.36Å; N140-T302 HydrophobicContact CB-CG2 4.42Å
141A98.8Very high98.7Very high3 Ų312.3 Ų12.33%0.0256%0.061CC..Hα-helixtrans-61.3-39.1-170.600000113.1C144 L145 W181 F285 Y289A141-C144 WeakPolarHBondContact O-CB 3.22Å; A141-C144 PolarHBondContact O-N 3.16Å; A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 PolarHBondContact O-N 3.24Å; A141-W181 HydrophobicContact CB-CD2 3.62Å; A141-W181 HydrophobicContact CB-CE3 3.6Å; A141-W181 HydrophobicContact CB-CG 4.37Å; A141-W181 HydrophobicContact CB-CH2 3.82Å; A141-W181 HydrophobicContact CB-CZ2 3.78Å; A141-W181 HydrophobicContact CB-CZ3 3.72Å; A141-F285 HydrophobicContact CB-CE1 3.91Å; A141-F285 HydrophobicContact CB-CZ 3.71Å; A141-Y289 HydrophobicContact CB-CD2 4.3Å; A141-Y289 HydrophobicContact CB-CE2 4.24Å
142K98.8Very high98.7Very high8 Ų88 Ų84%0.0354%0.038CC..Hα-helixtrans-65.5-47.7-176-63.6-171.7-179.7176.50111.7N140 L145 V146 W273 F277 S282 F285 D286N140-K142 VanDerWaalsContact C-N 3.33Å; N140-K142 PolarHBondContact O-N 3.42Å; N140-K142 PolarHBondContact OD1-N 2.97Å; K142-L145 PolarHBondContact O-N 3.44Å; K142-V146 VanDerWaalsContact O-CG2 3.25Å; K142-V146 WeakPolarHBondContact O-CG2 3.17Å; K142-V146 PolarHBondContact O-N 3.16Å; K142-V146 VanDerWaalsContact O-N 3.12Å; K142-W273 HydrophobicContact CB-CB 3.69Å; K142-W273 HydrophobicContact CB-CD2 3.84Å; K142-W273 HydrophobicContact CB-CE3 4.32Å; K142-W273 HydrophobicContact CB-CG 3.54Å; K142-W273 HydrophobicContact CD-CD2 3.58Å; K142-W273 HydrophobicContact CD-CE3 3.48Å; K142-W273 VanDerWaalsContact CD-CE3 3.48Å; K142-W273 HydrophobicContact CD-CG 4.23Å; K142-W273 HydrophobicContact CD-CH2 3.94Å; K142-W273 HydrophobicContact CD-CZ2 4.03Å; K142-W273 HydrophobicContact CD-CZ3 3.67Å; K142-W273 HydrophobicContact CG-CD2 4.35Å; K142-W273 HydrophobicContact CG-CE3 4.48Å; K142-F277 HydrophobicContact CB-CE2 4.05Å; K142-F277 HydrophobicContact CB-CZ 4.16Å; K142-F277 HydrophobicContact CG-CE2 4.46Å; K142-F277 HydrophobicContact CG-CZ 4.14Å; K142-S282 PolarHBondContact NZ-OG 3.18Å; K142-F285 HydrophobicContact CD-CD1 4.44Å; K142-F285 HydrophobicContact CG-CD1 3.89Å; K142-F285 HydrophobicContact CG-CE1 3.84Å; K142-D286 WeakPolarHBondContact CE-OD1 3.34Å; K142-D286 IonicContact NZ-OD1 3.41Å; K142-D286 PolarHBondContact NZ-OD1 3.46Å; K142-D286 IonicContact NZ-OD2 2.68Å; K142-D286 PolarHBondContact NZ-OD2 3.34Å
143D98.9Very high98.7Very high0 Ų012.5 Ų12.50%06%0.055CC..Hα-helixtrans-69.1-35175.2-78.7-42.2000112.8N140 S147 P270 G271 D272 W273N140-D143 PolarHBondContact ND2-OD2 3.21Å; N140-D143 PolarHBondContact O-N 3.01Å; N140-D143 PolarHBondContact OD1-N 3.03Å; D143-S147 VanDerWaalsContact O-CB 3.26Å; D143-S147 WeakPolarHBondContact O-CB 3.24Å; D143-S147 PolarHBondContact O-N 3.14Å; D143-P270 VanDerWaalsContact OD2-CA 3.3Å; D143-P270 WeakPolarHBondContact OD2-CA 3.28Å; D143-G271 PolarHBondContact OD2-N 3.2Å; D143-D272 PolarHBondContact OD1-N 3.01Å; D143-W273 PolarHBondContact OD1-N 3.3Å
144C98.4Very high98.6Very high0 Ų010.6 Ų10.60%05%0.046CC..Hα-helixtrans-57.6-49.7172.1-103.30000110.6N140 A141 S147 Y148N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 3.22Å; A141-C144 WeakPolarHBondContact O-CB 3.22Å; A141-C144 PolarHBondContact O-N 3.16Å; C144-S147 PolarHBondContact O-N 3.45Å; C144-Y148 VanDerWaalsContact O-CB 3.22Å; C144-Y148 WeakPolarHBondContact O-CB 3.43Å; C144-Y148 PolarHBondContact O-N 2.92Å
145L98.8Very high98.4Very high0 Ų010.8 Ų10.80%05%0.047CC..Hα-helixtrans-57.1-52.9179.2-165.4169.4000111A141 K142 S147 Y148 Y149 W164 Y167 V168 F171 F277 F285A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 PolarHBondContact O-N 3.24Å; K142-L145 PolarHBondContact O-N 3.44Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 3.31Å; L145-Y148 PolarHBondContact O-N 3.39Å; L145-Y149 PolarHBondContact O-N 2.72Å; L145-W164 HydrophobicContact CD2-CE3 4.33Å; L145-W164 HydrophobicContact CD2-CH2 3.39Å; L145-W164 HydrophobicContact CD2-CZ2 4.33Å; L145-W164 HydrophobicContact CD2-CZ3 3.38Å; L145-Y167 HydrophobicContact CD2-CD1 3.94Å; L145-Y167 HydrophobicContact CD2-CE1 4.37Å; L145-V168 HydrophobicContact CD1-CG1 4.43Å; L145-V168 HydrophobicContact CD1-CG2 4.28Å; L145-V168 HydrophobicContact CD2-CG2 4.01Å; L145-F171 HydrophobicContact CB-CD1 4.12Å; L145-F171 HydrophobicContact CB-CD2 4.1Å; L145-F171 HydrophobicContact CB-CE1 4.09Å; L145-F171 HydrophobicContact CB-CE2 4.04Å; L145-F171 HydrophobicContact CB-CG 4.13Å; L145-F171 HydrophobicContact CB-CZ 4.04Å; L145-F171 HydrophobicContact CD1-CB 3.83Å; L145-F171 HydrophobicContact CD1-CD1 3.47Å; L145-F171 VanDerWaalsContact CD1-CD1 3.47Å; L145-F171 HydrophobicContact CD1-CD2 4.45Å; L145-F171 HydrophobicContact CD1-CE1 4.11Å; L145-F171 HydrophobicContact CD1-CG 3.68Å; L145-F171 HydrophobicContact CG-CB 3.8Å; L145-F171 HydrophobicContact CG-CD1 3.75Å; L145-F171 HydrophobicContact CG-CD2 3.82Å; L145-F171 HydrophobicContact CG-CE1 4.24Å; L145-F171 HydrophobicContact CG-CE2 4.28Å; L145-F171 HydrophobicContact CG-CG 3.52Å; L145-F171 HydrophobicContact CG-CZ 4.48Å; L145-F277 HydrophobicContact CD1-CZ 4.02Å; L145-F285 HydrophobicContact CD1-CD2 4.24Å; L145-F285 HydrophobicContact CD1-CE2 3.71Å
146V98.8Very high98.2Very high0 Ų014.8 Ų14.80%07%0.065CC..Hα-helixtrans-57.3-47.2178.2175.70000111.1K142 Y148 Y149 H150 W164 W273 Y276 F277K142-V146 VanDerWaalsContact O-CG2 3.25Å; K142-V146 WeakPolarHBondContact O-CG2 3.17Å; K142-V146 PolarHBondContact O-N 3.16Å; K142-V146 VanDerWaalsContact O-N 3.12Å; V146-Y148 PolarHBondContact O-N 3.37Å; V146-Y149 PolarHBondContact O-N 2.8Å; V146-H150 PolarHBondContact O-CD2 3.45Å; V146-H150 VanDerWaalsContact O-CD2 3.31Å; V146-H150 PolarHBondContact O-N 2.66Å; V146-W164 HydrophobicContact CB-CH2 4.29Å; V146-W164 HydrophobicContact CG2-CH2 3.52Å; V146-W164 HydrophobicContact CG2-CZ2 4.36Å; V146-W164 HydrophobicContact CG2-CZ3 4.24Å; V146-W273 HydrophobicContact CG2-CB 3.84Å; V146-Y276 HydrophobicContact CB-CD2 4.49Å; V146-Y276 HydrophobicContact CG1-CD1 4.25Å; V146-Y276 HydrophobicContact CG1-CD2 3.47Å; V146-Y276 VanDerWaalsContact CG1-CD2 3.47Å; V146-Y276 HydrophobicContact CG1-CE1 4.29Å; V146-Y276 HydrophobicContact CG1-CE2 3.54Å; V146-Y276 HydrophobicContact CG1-CG 3.85Å; V146-Y276 HydrophobicContact CG2-CD2 4.16Å; V146-Y276 HydrophobicContact CG2-CG 4.24Å; V146-F277 HydrophobicContact CG2-CD2 4.3Å; V146-F277 HydrophobicContact CG2-CE2 3.89Å
147S98.8Very high97.7Very high16 Ų1616.4 Ų16.411%0.1127%0.073CC..Hα-helixtrans-65.6-30.3179.6-169.90000112.2D143 C144 L145 F151D143-S147 VanDerWaalsContact O-CB 3.26Å; D143-S147 WeakPolarHBondContact O-CB 3.24Å; D143-S147 PolarHBondContact O-N 3.14Å; C144-S147 PolarHBondContact O-N 3.45Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 3.31Å; S147-F151 VanDerWaalsContact O-CB 3.32Å; S147-F151 WeakPolarHBondContact O-CB 3.47Å; S147-F151 PolarHBondContact O-N 3.3Å; S147-F151 VanDerWaalsContact O-N 3.13Å
148Y98.8Very high97.4Very high1 Ų117 Ų170%0.0048%0.076CC..Hα-helixtrans-80.5-36.9-179.2-157.2177.9000112.1Y54 A55 K56 C144 L145 V146 H150 F151 S152 L158 Y167 F171 V176 L177 W178Y54-Y148 AromaticContact CE1-CD1 4Å; Y54-Y148 HydrophobicContact CE1-CD1 4Å; Y54-Y148 HydrophobicContact CE1-CE1 4.2Å; A55-Y148 HydrophobicContact CB-CD1 4.19Å; A55-Y148 HydrophobicContact CB-CE1 3.82Å; A55-Y148 HydrophobicContact CB-CE2 4.29Å; K56-Y148 HydrophobicContact CG-CD2 4.1Å; K56-Y148 HydrophobicContact CG-CG 4Å; C144-Y148 VanDerWaalsContact O-CB 3.22Å; C144-Y148 WeakPolarHBondContact O-CB 3.43Å; C144-Y148 PolarHBondContact O-N 2.92Å; L145-Y148 PolarHBondContact O-N 3.39Å; V146-Y148 PolarHBondContact O-N 3.37Å; Y148-H150 PolarHBondContact O-N 3.22Å; Y148-F151 HydrophobicContact CD2-CB 4.44Å; Y148-F151 HydrophobicContact CD2-CD1 4.01Å; Y148-F151 HydrophobicContact CE2-CD1 4.04Å; Y148-F151 PolarHBondContact O-N 3.2Å; Y148-S152 WeakPolarHBondContact O-CB 3.26Å; Y148-S152 PolarHBondContact O-N 3.06Å; Y148-S152 PolarHBondContact O-OG 2.8Å; Y148-L158 HydrophobicContact CE2-CD2 3.59Å; Y148-Y167 WeakPolarHBondContact CD2-OH 3.46Å; Y148-Y167 VanDerWaalsContact CG-OH 3.29Å; Y148-Y167 PolarHBondContact O-OH 3.1Å; Y148-F171 HydrophobicContact CD1-CD2 4.45Å; Y148-F171 HydrophobicContact CD1-CE2 4.31Å; Y148-V176 HydrophobicContact CD1-CG2 4.46Å; Y148-V176 HydrophobicContact CE1-CB 4.11Å; Y148-V176 HydrophobicContact CE1-CG2 3.86Å; Y148-L177 WeakPolarHBondContact OH-CB 3.49Å; Y148-L177 PolarHBondContact OH-O 3.48Å; Y148-L177 VanDerWaalsContact OH-O 3.14Å; Y148-W178 HydrophobicContact CE2-CZ3 4.31Å; Y148-W178 AromaticContact CZ-CE3 3.98Å; Y148-W178 AromaticContact CZ-CZ3 3.88Å; Y148-W178 WeakPolarHBondContact OH-CZ3 3.45Å
149Y98.8Very high97.1Very high30 Ų3019 Ų1912%0.1189%0.089CC..Hα-helixtrans-55.3-53.6169.8177.4-116.4000111.3L145 V146 F151 S152 R153 P161 G162 W164 Y167L145-Y149 PolarHBondContact O-N 2.72Å; V146-Y149 PolarHBondContact O-N 2.8Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 2.79Å; Y149-S152 PolarHBondContact O-N 3.25Å; Y149-R153 HydrophobicContact CE2-CG 4.46Å; Y149-R153 WeakPolarHBondContact O-CG 3.43Å; Y149-R153 PolarHBondContact O-N 2.75Å; Y149-P161 HydrophobicContact CD2-CB 3.75Å; Y149-P161 HydrophobicContact CD2-CG 4.17Å; Y149-P161 HydrophobicContact CE2-CB 3.88Å; Y149-P161 HydrophobicContact CE2-CG 4.05Å; Y149-G162 PolarHBondContact OH-O 3.04Å; Y149-W164 AromaticContact CD1-CE3 3.59Å; Y149-W164 HydrophobicContact CD1-CE3 3.59Å; Y149-W164 HydrophobicContact CD1-CZ3 4.07Å; Y149-W164 HydrophobicContact CD2-CE3 4.26Å; Y149-W164 HydrophobicContact CE1-CB 4.26Å; Y149-W164 HydrophobicContact CE1-CE3 4.04Å; Y149-W164 AromaticContact CG-CE3 3.7Å; Y149-W164 HydrophobicContact CG-CE3 3.7Å; Y149-W164 HydrophobicContact CG-CZ3 4.03Å; Y149-W164 PolarHBondContact OH-N 3.45Å; Y149-Y167 AromaticContact CD2-CD1 3.8Å; Y149-Y167 HydrophobicContact CD2-CD1 3.8Å; Y149-Y167 HydrophobicContact CD2-CD2 4.15Å; Y149-Y167 HydrophobicContact CD2-CE1 4.48Å; Y149-Y167 AromaticContact CD2-CG 3.59Å; Y149-Y167 HydrophobicContact CD2-CG 3.59Å; Y149-Y167 HydrophobicContact CE2-CG 4.41Å; Y149-Y167 HydrophobicContact CG-CD1 4.17Å; Y149-Y167 HydrophobicContact CG-CG 4.41Å
150H98.7Very high96.9Very high19 Ų1923.2 Ų23.29%0.08811%0.113CC..Hα-helixtrans-62.3-36.3177.4-79.4-66.9000113.5V146 Y148 R153 M154 Y276V146-H150 PolarHBondContact O-CD2 3.45Å; V146-H150 VanDerWaalsContact O-CD2 3.31Å; V146-H150 PolarHBondContact O-N 2.66Å; Y148-H150 PolarHBondContact O-N 3.22Å; H150-R153 PolarHBondContact O-N 3.25Å; H150-M154 WeakPolarHBondContact O-CG 3.34Å; H150-M154 PolarHBondContact O-N 3.24Å; H150-Y276 AromaticContact CE1-CE1 3.94Å; H150-Y276 AromaticContact NE2-CE1 3.08Å; H150-Y276 WeakPolarHBondContact NE2-CE1 2.89Å; H150-Y276 AromaticContact NE2-CZ 3.29Å; H150-Y276 VanDerWaalsContact NE2-CZ 3.29Å; H150-Y276 PolarHBondContact NE2-OH 3.12Å
151F98.5Very high96.8Very high22 Ų2223.8 Ų23.810%0.09612%0.116CC..Hα-helixtrans-66.5-41175.9-179.4-116.5000112.3K56 S147 Y148 Y149 R153 M154 N155 L158 M257 F264K56-F151 HydrophobicContact CD-CB 3.81Å; K56-F151 HydrophobicContact CD-CD1 3.75Å; K56-F151 HydrophobicContact CD-CD2 4.38Å; K56-F151 HydrophobicContact CD-CE1 4.37Å; K56-F151 HydrophobicContact CD-CG 3.73Å; K56-F151 HydrophobicContact CG-CB 4.49Å; S147-F151 VanDerWaalsContact O-CB 3.32Å; S147-F151 WeakPolarHBondContact O-CB 3.47Å; S147-F151 PolarHBondContact O-N 3.3Å; S147-F151 VanDerWaalsContact O-N 3.13Å; Y148-F151 HydrophobicContact CD2-CB 4.44Å; Y148-F151 HydrophobicContact CD2-CD1 4.01Å; Y148-F151 HydrophobicContact CE2-CD1 4.04Å; Y148-F151 PolarHBondContact O-N 3.2Å; Y149-F151 VanDerWaalsContact C-N 3.3Å; Y149-F151 PolarHBondContact O-N 2.79Å; F151-R153 VanDerWaalsContact C-N 3.3Å; F151-R153 PolarHBondContact O-N 2.97Å; F151-M154 HydrophobicContact CD2-SD 3.92Å; F151-M154 HydrophobicContact CE2-SD 4.25Å; F151-M154 WeakPolarHBondContact O-CG 3.47Å; F151-M154 PolarHBondContact O-N 2.94Å; F151-N155 HydrophobicContact CD2-CB 4.28Å; F151-N155 HydrophobicContact CE2-CB 4.05Å; F151-N155 HydrophobicContact CZ-CB 4.2Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.31Å; F151-N155 WeakPolarHBondContact O-CB 3.32Å; F151-N155 PolarHBondContact O-N 2.84Å; F151-L158 HydrophobicContact CD1-CD1 4.19Å; F151-L158 HydrophobicContact CD1-CD2 4.43Å; F151-L158 HydrophobicContact CE1-CD1 3.74Å; F151-L158 HydrophobicContact CE1-CD2 4.42Å; F151-L158 HydrophobicContact CZ-CD1 4.34Å; F151-M257 HydrophobicContact CE2-CE 3.87Å; F151-M257 HydrophobicContact CE2-SD 4.34Å; F151-M257 HydrophobicContact CZ-CE 4.11Å; F151-F264 HydrophobicContact CD2-CD2 4.31Å; F151-F264 HydrophobicContact CD2-CE2 4.5Å; F151-F264 HydrophobicContact CE2-CD2 4.03Å; F151-F264 HydrophobicContact CE2-CE2 4.01Å
152S97.5Very high96.7Very high7 Ų725.2 Ų25.25%0.04913%0.131CC..Hα-helixtrans-65.3-35.7177.3-52.10000111.2Y148 Y149 Y167Y148-S152 WeakPolarHBondContact O-CB 3.26Å; Y148-S152 PolarHBondContact O-N 3.06Å; Y148-S152 PolarHBondContact O-OG 2.8Å; Y149-S152 PolarHBondContact O-N 3.25Å; S152-Y167 PolarHBondContact OG-OH 3.25Å; S152-Y167 VanDerWaalsContact OG-OH 3.07Å
153R97.7Very high96.6Very high97 Ų9727.9 Ų27.937%0.36615%0.148SC..Hα-helixtrans-64.2-40175.3-69.3177.657.2-150.2-5.7113.5Y149 H150 F151 P161 I261Y149-R153 HydrophobicContact CE2-CG 4.46Å; Y149-R153 WeakPolarHBondContact O-CG 3.43Å; Y149-R153 PolarHBondContact O-N 2.75Å; H150-R153 PolarHBondContact O-N 3.25Å; F151-R153 VanDerWaalsContact C-N 3.3Å; F151-R153 PolarHBondContact O-N 2.97Å; R153-P161 HydrophobicContact CB-CG 4.44Å; R153-P161 HydrophobicContact CG-CG 3.5Å; R153-P161 VanDerWaalsContact CG-CG 3.5Å; R153-I261 HydrophobicContact CB-CG2 3.9Å
154M97.4Very high96.6Very high1 Ų128.8 Ų28.81%0.00515%0.152CC..Hα-helixtrans-89.7-25.7-175.869.982.964.800113.5H150 F151 M257 D258 I261 S262 F264H150-M154 WeakPolarHBondContact O-CG 3.34Å; H150-M154 PolarHBondContact O-N 3.24Å; F151-M154 HydrophobicContact CD2-SD 3.92Å; F151-M154 HydrophobicContact CE2-SD 4.25Å; F151-M154 WeakPolarHBondContact O-CG 3.47Å; F151-M154 PolarHBondContact O-N 2.94Å; M154-M257 HydrophobicContact CE-CB 3.73Å; M154-M257 HydrophobicContact CE-CG 4.19Å; M154-M257 HydrophobicContact CE-SD 4.3Å; M154-M257 CarbonylContact O-C 3.53Å; M154-M257 WeakPolarHBondContact O-CA 3.28Å; M154-M257 HydrophobicContact SD-CB 4.12Å; M154-M257 HydrophobicContact SD-CG 4.01Å; M154-M257 HydrophobicContact SD-SD 4.2Å; M154-D258 WeakPolarHBondContact CB-O 3.38Å; M154-D258 PolarHBondContact O-N 3.38Å; M154-I261 HydrophobicContact CB-CB 4.27Å; M154-I261 HydrophobicContact CB-CG2 4.45Å; M154-S262 WeakPolarHBondContact CB-O 3.34Å; M154-S262 VanDerWaalsContact CE-O 3.27Å; M154-S262 WeakPolarHBondContact CE-O 3.33Å; M154-S262 WeakPolarHBondContact CG-O 3.37Å; M154-F264 HydrophobicContact CE-CB 4.48Å
155N95.4Very high96.6Very high6 Ų633.8 Ų33.83%0.03218%0.175CC..BIsolated β-bridgetrans-96.5104.9-177.7-175.3-14.6000110.7F151 M157 L158 I256 M257F151-N155 HydrophobicContact CD2-CB 4.28Å; F151-N155 HydrophobicContact CE2-CB 4.05Å; F151-N155 HydrophobicContact CZ-CB 4.2Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.31Å; F151-N155 WeakPolarHBondContact O-CB 3.32Å; F151-N155 PolarHBondContact O-N 2.84Å; N155-M157 PolarHBondContact O-N 2.94Å; N155-M157 VanDerWaalsContact O-N 3.08Å; N155-M157 VanDerWaalsContact OD1-CB 3.28Å; N155-M157 WeakPolarHBondContact OD1-CB 3.37Å; N155-M157 WeakPolarHBondContact OD1-CG 3.28Å; N155-M157 PolarHBondContact OD1-N 2.86Å; N155-L158 HydrophobicContact CB-CD1 3.55Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.17Å; N155-L158 PolarHBondContact O-N 3.42Å; N155-L158 VanDerWaalsContact O-N 3.08Å; N155-I256 CarbonylContact C-O 3.6Å; N155-I256 WeakPolarHBondContact CA-O 3.14Å; N155-I256 PolarHBondContact OD1-O 2.84Å; N155-I256 VanDerWaalsContact OD1-O 3.13Å; N155-M257 HydrophobicContact CB-CG 4.35Å
156K92.8Very high96.6Very high84 Ų8439 Ų3937%0.36520%0.2SC..THydrogen-bonded Turntrans-68.6-6.1-176.3-55.6-58.7-175.6179.50113.8P18 S255 I256 I261P18-K156 WeakPolarHBondContact CG-O 3.48Å; K156-S255 WeakPolarHBondContact CB-O 3.33Å; K156-I256 PolarHBondContact N-O 3.26Å; K156-I261 VanDerWaalsContact NZ-CD1 3.31Å
157M89.5Confident96.6Very high35 Ų3539.5 Ų39.517%0.17220%0.201CC..THydrogen-bonded Turntrans-87.3-6173.9-51.7-56.6-61.300113.2M31 N155 I256M31-M157 HydrophobicContact CE-CE 3.17Å; M31-M157 HydrophobicContact SD-CE 4.32Å; N155-M157 PolarHBondContact O-N 2.94Å; N155-M157 VanDerWaalsContact O-N 3.08Å; N155-M157 VanDerWaalsContact OD1-CB 3.28Å; N155-M157 WeakPolarHBondContact OD1-CB 3.37Å; N155-M157 WeakPolarHBondContact OD1-CG 3.28Å; N155-M157 PolarHBondContact OD1-N 2.86Å; M157-I256 HydrophobicContact CG-CG2 3.77Å; M157-I256 HydrophobicContact SD-CG2 4.48Å
158L92.7Very high96.6Very high12 Ų1238.8 Ų38.86%0.06320%0.196CC..SBendtrans-102.2153.9173.7-74.897.7000111P18 Y148 F151 N155 L177P18-L158 WeakPolarHBondContact CG-O 3.39Å; Y148-L158 HydrophobicContact CE2-CD2 3.59Å; F151-L158 HydrophobicContact CD1-CD1 4.19Å; F151-L158 HydrophobicContact CD1-CD2 4.43Å; F151-L158 HydrophobicContact CE1-CD1 3.74Å; F151-L158 HydrophobicContact CE1-CD2 4.42Å; F151-L158 HydrophobicContact CZ-CD1 4.34Å; N155-L158 HydrophobicContact CB-CD1 3.55Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.17Å; N155-L158 PolarHBondContact O-N 3.42Å; N155-L158 VanDerWaalsContact O-N 3.08Å; L158-L177 HydrophobicContact CD2-CD1 3.75Å; L158-L177 HydrophobicContact CD2-CG 4.25Å; L158-L177 HydrophobicContact CG-CD1 3.8Å
159P92.9Very high96.6Very high41 Ų4143.2 Ų43.227%0.26622%0.217SC..PPolyproline II helixtrans-54.5147168.6-23.634.3000111.5T20 P161T20-P159 HydrophobicContact CG2-CG 3.48Å; T20-P159 VanDerWaalsContact CG2-CG 3.48Å; P159-P161 WeakPolarHBondContact O-CD 3.24Å
160D94.3Very high96.5Very high104 Ų10444.2 Ų44.256%0.55623%0.226SC*.PPolyproline II helixtrans-55.3123.1171.3-174.1-13.2000110.1G162D160-G162 PolarHBondContact O-N 2.97Å; D160-G162 PolarHBondContact OD1-N 3.26Å
161P95.8Very high96.5Very high13 Ų1343.3 Ų43.38%0.08422%0.222CC..  trans-70.9-10.4-17928.1-34.8000114Y149 R153 P159 Y167Y149-P161 HydrophobicContact CD2-CB 3.75Å; Y149-P161 HydrophobicContact CD2-CG 4.17Å; Y149-P161 HydrophobicContact CE2-CB 3.88Å; Y149-P161 HydrophobicContact CE2-CG 4.05Å; R153-P161 HydrophobicContact CB-CG 4.44Å; R153-P161 HydrophobicContact CG-CG 3.5Å; R153-P161 VanDerWaalsContact CG-CG 3.5Å; P159-P161 WeakPolarHBondContact O-CD 3.24Å; P161-Y167 HydrophobicContact CB-CD2 3.29Å; P161-Y167 HydrophobicContact CB-CE2 3.56Å; P161-Y167 HydrophobicContact CB-CG 4.1Å
162G96.7Very high96.5Very high33 Ų3343 Ų4334%0.3422%0.221SC..  trans66.4-148.4-173.700000111.8Y149 D160Y149-G162 PolarHBondContact OH-O 3.04Å; D160-G162 PolarHBondContact O-N 2.97Å; D160-G162 PolarHBondContact OD1-N 3.26Å
163T98.3Very high96.6Very high64 Ų6445.6 Ų45.639%0.39324%0.242SC..  trans-73.5164175.262.50000111.9E165 E166 Y167T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 PolarHBondContact O-N 2.81Å; T163-E166 WeakPolarHBondContact CB-OE2 3.34Å; T163-E166 PolarHBondContact N-OE2 3.48Å; T163-E166 PolarHBondContact O-N 3.33Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 WeakPolarHBondContact OG1-CG 3.42Å; T163-E166 PolarHBondContact OG1-N 3.07Å; T163-E166 PolarHBondContact OG1-OE2 3.11Å; T163-Y167 WeakPolarHBondContact O-CB 3.49Å; T163-Y167 PolarHBondContact O-N 3.38Å
164W98.4Very high96.6Very high20 Ų2041.7 Ų41.78%0.07623%0.232CC..Hα-helixtrans-60.9-42.7175.9167.9-112.2000111.3L145 V146 Y149 Y167 V168 Y276 F277 Q281L145-W164 HydrophobicContact CD2-CE3 4.33Å; L145-W164 HydrophobicContact CD2-CH2 3.39Å; L145-W164 HydrophobicContact CD2-CZ2 4.33Å; L145-W164 HydrophobicContact CD2-CZ3 3.38Å; V146-W164 HydrophobicContact CB-CH2 4.29Å; V146-W164 HydrophobicContact CG2-CH2 3.52Å; V146-W164 HydrophobicContact CG2-CZ2 4.36Å; V146-W164 HydrophobicContact CG2-CZ3 4.24Å; Y149-W164 AromaticContact CD1-CE3 3.59Å; Y149-W164 HydrophobicContact CD1-CE3 3.59Å; Y149-W164 HydrophobicContact CD1-CZ3 4.07Å; Y149-W164 HydrophobicContact CD2-CE3 4.26Å; Y149-W164 HydrophobicContact CE1-CB 4.26Å; Y149-W164 HydrophobicContact CE1-CE3 4.04Å; Y149-W164 AromaticContact CG-CE3 3.7Å; Y149-W164 HydrophobicContact CG-CE3 3.7Å; Y149-W164 HydrophobicContact CG-CZ3 4.03Å; Y149-W164 PolarHBondContact OH-N 3.45Å; W164-Y167 PolarHBondContact O-N 3.1Å; W164-V168 HydrophobicContact CD2-CG2 4.06Å; W164-V168 HydrophobicContact CE3-CG2 4.43Å; W164-V168 HydrophobicContact CH2-CG2 4.16Å; W164-V168 HydrophobicContact CZ2-CG2 3.72Å; W164-V168 HydrophobicContact CZ3-CG2 4.48Å; W164-V168 WeakPolarHBondContact O-CG2 3.18Å; W164-V168 PolarHBondContact O-N 3.11Å; W164-Y276 PolarHBondContact NE1-O 3.32Å; W164-F277 HydrophobicContact CH2-CD2 4.19Å; W164-F277 AromaticContact CH2-CE2 3.78Å; W164-F277 HydrophobicContact CH2-CE2 3.78Å; W164-F277 HydrophobicContact CH2-CZ 4.37Å; W164-F277 AromaticContact CZ2-CD2 3.67Å; W164-F277 HydrophobicContact CZ2-CD2 3.67Å; W164-F277 AromaticContact CZ2-CE2 3.64Å; W164-F277 HydrophobicContact CZ2-CE2 3.64Å; W164-F277 HydrophobicContact CZ2-CG 4.24Å; W164-F277 HydrophobicContact CZ2-CZ 4.18Å; W164-Q281 VanDerWaalsContact NE1-OE1 3.11Å
165E98.3Very high96.6Very high104 Ų10448.8 Ų48.849%0.48626%0.263SS..Hα-helixtrans-61.2-46.5-179.4-6664.1-143.800111.4T163 Y167 V168 E169T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 PolarHBondContact O-N 2.81Å; E165-Y167 VanDerWaalsContact C-N 3.34Å; E165-V168 PolarHBondContact O-N 2.78Å; E165-E169 PolarHBondContact O-N 3.3Å
166E98.3Very high96.7Very high111 Ų11149 Ų4952%0.51926%0.264SS..Hα-helixtrans-64.6-39.1175.7-70.4161.8149.600111.9T163 E169 T170T163-E166 WeakPolarHBondContact CB-OE2 3.34Å; T163-E166 PolarHBondContact N-OE2 3.48Å; T163-E166 PolarHBondContact O-N 3.33Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 WeakPolarHBondContact OG1-CG 3.42Å; T163-E166 PolarHBondContact OG1-N 3.07Å; T163-E166 PolarHBondContact OG1-OE2 3.11Å; E166-E169 PolarHBondContact O-N 3.26Å; E166-T170 WeakPolarHBondContact O-CB 3.25Å; E166-T170 PolarHBondContact O-N 3.32Å; E166-T170 PolarHBondContact O-OG1 3.42Å
167Y98.5Very high96.9Very high9 Ų945.3 Ų45.34%0.03525%0.249CC..Hα-helixtrans-69.4-34.5-178.7-163.1-98000112.6L145 Y148 Y149 S152 P161 T163 W164 E165 E169 T170 F171 V176L145-Y167 HydrophobicContact CD2-CD1 3.94Å; L145-Y167 HydrophobicContact CD2-CE1 4.37Å; Y148-Y167 WeakPolarHBondContact CD2-OH 3.46Å; Y148-Y167 VanDerWaalsContact CG-OH 3.29Å; Y148-Y167 PolarHBondContact O-OH 3.1Å; Y149-Y167 AromaticContact CD2-CD1 3.8Å; Y149-Y167 HydrophobicContact CD2-CD1 3.8Å; Y149-Y167 HydrophobicContact CD2-CD2 4.15Å; Y149-Y167 HydrophobicContact CD2-CE1 4.48Å; Y149-Y167 AromaticContact CD2-CG 3.59Å; Y149-Y167 HydrophobicContact CD2-CG 3.59Å; Y149-Y167 HydrophobicContact CE2-CG 4.41Å; Y149-Y167 HydrophobicContact CG-CD1 4.17Å; Y149-Y167 HydrophobicContact CG-CG 4.41Å; S152-Y167 PolarHBondContact OG-OH 3.25Å; S152-Y167 VanDerWaalsContact OG-OH 3.07Å; P161-Y167 HydrophobicContact CB-CD2 3.29Å; P161-Y167 HydrophobicContact CB-CE2 3.56Å; P161-Y167 HydrophobicContact CB-CG 4.1Å; T163-Y167 WeakPolarHBondContact O-CB 3.49Å; T163-Y167 PolarHBondContact O-N 3.38Å; W164-Y167 PolarHBondContact O-N 3.1Å; E165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-E169 VanDerWaalsContact C-N 3.35Å; Y167-E169 PolarHBondContact O-N 2.69Å; Y167-T170 PolarHBondContact O-N 2.91Å; Y167-F171 VanDerWaalsContact O-CB 3.3Å; Y167-F171 WeakPolarHBondContact O-CB 3.35Å; Y167-F171 PolarHBondContact O-N 2.71Å; Y167-V176 HydrophobicContact CE2-CG1 4.1Å
168V98.6Very high97.3Very high1 Ų144.1 Ų44.11%0.00624%0.243CC..Hα-helixtrans-58.7-47.6173.7169.90000110.6L145 W164 E165 F171 K172L145-V168 HydrophobicContact CD1-CG1 4.43Å; L145-V168 HydrophobicContact CD1-CG2 4.28Å; L145-V168 HydrophobicContact CD2-CG2 4.01Å; W164-V168 HydrophobicContact CD2-CG2 4.06Å; W164-V168 HydrophobicContact CE3-CG2 4.43Å; W164-V168 HydrophobicContact CH2-CG2 4.16Å; W164-V168 HydrophobicContact CZ2-CG2 3.72Å; W164-V168 HydrophobicContact CZ3-CG2 4.48Å; W164-V168 WeakPolarHBondContact O-CG2 3.18Å; W164-V168 PolarHBondContact O-N 3.11Å; E165-V168 PolarHBondContact O-N 2.78Å; V168-F171 PolarHBondContact O-N 2.86Å; V168-K172 HydrophobicContact CG1-CD 4.02Å; V168-K172 WeakPolarHBondContact O-CG 3.28Å; V168-K172 PolarHBondContact O-N 2.85Å
169E98.5Very high97.5Very high95 Ų9543.6 Ų43.644%0.44424%0.24SC..Hα-helixtrans-67.6-40.3177.9-65.7-50.4119.100112.4E165 E166 Y167 F171 K172 A173E165-E169 PolarHBondContact O-N 3.3Å; E166-E169 PolarHBondContact O-N 3.26Å; Y167-E169 VanDerWaalsContact C-N 3.35Å; Y167-E169 PolarHBondContact O-N 2.69Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.88Å; E169-K172 VanDerWaalsContact CD-NZ 3.28Å; E169-K172 PolarHBondContact O-N 3.32Å; E169-K172 IonicContact OE1-NZ 3.39Å; E169-K172 PolarHBondContact OE1-NZ 3.37Å; E169-K172 IonicContact OE2-NZ 3.9Å; E169-K172 PolarHBondContact OE2-NZ 2.83Å; E169-A173 WeakPolarHBondContact O-CB 3.36Å; E169-A173 PolarHBondContact O-N 3.04Å
170T98.3Very high97.8Very high50 Ų5042.6 Ų42.631%0.30723%0.234SC..Hα-helixtrans-60.4-43.3176.1-58.80000111.4E166 Y167 A173 G174 K175 V176E166-T170 WeakPolarHBondContact O-CB 3.25Å; E166-T170 PolarHBondContact O-N 3.32Å; E166-T170 PolarHBondContact O-OG1 3.42Å; Y167-T170 PolarHBondContact O-N 2.91Å; T170-A173 PolarHBondContact O-N 3.49Å; T170-G174 PolarHBondContact O-N 3.31Å; T170-K175 HydrophobicContact CG2-CB 3.9Å; T170-K175 VanDerWaalsContact CG2-O 3.26Å; T170-K175 WeakPolarHBondContact CG2-O 3.34Å; T170-K175 PolarHBondContact O-N 3.07Å; T170-V176 HydrophobicContact CG2-CG1 3.88Å
171F98.7Very high98Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-66.5-47176.3-177.3-83000111.9Y54 L145 Y148 Y167 V168 E169 A173 G174 V176 W181 F285Y54-F171 AromaticContact CE1-CE2 3.83Å; Y54-F171 HydrophobicContact CE1-CE2 3.83Å; Y54-F171 HydrophobicContact CE1-CZ 4.23Å; Y54-F171 WeakPolarHBondContact OH-CE2 3.46Å; L145-F171 HydrophobicContact CB-CD1 4.12Å; L145-F171 HydrophobicContact CB-CD2 4.1Å; L145-F171 HydrophobicContact CB-CE1 4.09Å; L145-F171 HydrophobicContact CB-CE2 4.04Å; L145-F171 HydrophobicContact CB-CG 4.13Å; L145-F171 HydrophobicContact CB-CZ 4.04Å; L145-F171 HydrophobicContact CD1-CB 3.83Å; L145-F171 HydrophobicContact CD1-CD1 3.47Å; L145-F171 VanDerWaalsContact CD1-CD1 3.47Å; L145-F171 HydrophobicContact CD1-CD2 4.45Å; L145-F171 HydrophobicContact CD1-CE1 4.11Å; L145-F171 HydrophobicContact CD1-CG 3.68Å; L145-F171 HydrophobicContact CG-CB 3.8Å; L145-F171 HydrophobicContact CG-CD1 3.75Å; L145-F171 HydrophobicContact CG-CD2 3.82Å; L145-F171 HydrophobicContact CG-CE1 4.24Å; L145-F171 HydrophobicContact CG-CE2 4.28Å; L145-F171 HydrophobicContact CG-CG 3.52Å; L145-F171 HydrophobicContact CG-CZ 4.48Å; Y148-F171 HydrophobicContact CD1-CD2 4.45Å; Y148-F171 HydrophobicContact CD1-CE2 4.31Å; Y167-F171 VanDerWaalsContact O-CB 3.3Å; Y167-F171 WeakPolarHBondContact O-CB 3.35Å; Y167-F171 PolarHBondContact O-N 2.71Å; V168-F171 PolarHBondContact O-N 2.86Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.88Å; F171-A173 PolarHBondContact O-N 3.37Å; F171-G174 PolarHBondContact O-N 3.12Å; F171-V176 HydrophobicContact CD2-CG2 4.37Å; F171-W181 HydrophobicContact CE1-CB 3.94Å; F171-W181 HydrophobicContact CE1-CG 4.42Å; F171-W181 HydrophobicContact CE2-CB 4.36Å; F171-W181 HydrophobicContact CZ-CB 3.54Å; F171-W181 AromaticContact CZ-CG 3.92Å; F171-W181 HydrophobicContact CZ-CG 3.92Å; F171-F285 HydrophobicContact CD1-CE2 4.22Å; F171-F285 HydrophobicContact CE1-CE2 4.37Å; F171-F285 HydrophobicContact CE1-CZ 4.31Å
172K98.4Very high98.2Very high16 Ų1637 Ų377%0.0720%0.203CC..Hα-helixtrans-55.9-42.3175.7-77166.560.6-160.40110.8V168 E169 G174 D284 F285 K292V168-K172 HydrophobicContact CG1-CD 4.02Å; V168-K172 WeakPolarHBondContact O-CG 3.28Å; V168-K172 PolarHBondContact O-N 2.85Å; E169-K172 VanDerWaalsContact CD-NZ 3.28Å; E169-K172 PolarHBondContact O-N 3.32Å; E169-K172 IonicContact OE1-NZ 3.39Å; E169-K172 PolarHBondContact OE1-NZ 3.37Å; E169-K172 IonicContact OE2-NZ 3.9Å; E169-K172 PolarHBondContact OE2-NZ 2.83Å; K172-G174 PolarHBondContact O-N 3.27Å; K172-D284 IonicContact NZ-OD1 3.01Å; K172-D284 IonicContact NZ-OD2 2.81Å; K172-D284 PolarHBondContact NZ-OD2 3.34Å; K172-F285 HydrophobicContact CD-CD2 4.01Å; K172-F285 HydrophobicContact CG-CD2 3.76Å; K172-F285 HydrophobicContact CG-CE2 3.85Å; K172-K292 PolarHBondContact O-NZ 3.05Å
173A98.1Very high98.2Very high61 Ų6139.4 Ų39.450%0.50421%0.208SC..THydrogen-bonded Turntrans-72.5-6.2178.200000114.2E169 T170 F171 K175E169-A173 WeakPolarHBondContact O-CB 3.36Å; E169-A173 PolarHBondContact O-N 3.04Å; T170-A173 PolarHBondContact O-N 3.49Å; F171-A173 PolarHBondContact O-N 3.37Å; A173-K175 HydrophobicContact CB-CD 4.2Å; A173-K175 HydrophobicContact CB-CG 3.98Å; A173-K175 PolarHBondContact O-N 3.47Å
174G98Very high98.3Very high15 Ų1536.4 Ų36.416%0.15519%0.19CC..THydrogen-bonded Turntrans6821-175.400000113.5T170 F171 K172 V176 G179T170-G174 PolarHBondContact O-N 3.31Å; F171-G174 PolarHBondContact O-N 3.12Å; K172-G174 PolarHBondContact O-N 3.27Å; G174-V176 PolarHBondContact O-N 2.66Å; G174-G179 CarbonylContact O-C 3.55Å; G174-G179 VanDerWaalsContact O-CA 3.31Å; G174-G179 WeakPolarHBondContact O-CA 3.45Å
175K97.2Very high98.3Very high151 Ų15135.5 Ų35.566%0.65719%0.186SC*.  trans-91.833.3-178.5-65.6-174.5178.3-177.40112.6L27 T170 A173L27-K175 WeakPolarHBondContact CD2-O 3.48Å; T170-K175 HydrophobicContact CG2-CB 3.9Å; T170-K175 VanDerWaalsContact CG2-O 3.26Å; T170-K175 WeakPolarHBondContact CG2-O 3.34Å; T170-K175 PolarHBondContact O-N 3.07Å; A173-K175 HydrophobicContact CB-CD 4.2Å; A173-K175 HydrophobicContact CB-CG 3.98Å; A173-K175 PolarHBondContact O-N 3.47Å
176V97.6Very high98.3Very high9 Ų932.6 Ų32.66%0.05517%0.172CC..SBendtrans-111167.5172.3-64.10000109.2Y54 Y148 Y167 T170 F171 G174 W178 G179Y54-V176 WeakPolarHBondContact OH-CG2 2.96Å; Y148-V176 HydrophobicContact CD1-CG2 4.46Å; Y148-V176 HydrophobicContact CE1-CB 4.11Å; Y148-V176 HydrophobicContact CE1-CG2 3.86Å; Y167-V176 HydrophobicContact CE2-CG1 4.1Å; T170-V176 HydrophobicContact CG2-CG1 3.88Å; F171-V176 HydrophobicContact CD2-CG2 4.37Å; G174-V176 PolarHBondContact O-N 2.66Å; V176-W178 PolarHBondContact O-N 2.91Å; V176-G179 PolarHBondContact O-N 3.13Å
177L97.1Very high98.3Very high7 Ų728 Ų284%0.03715%0.154CC..THydrogen-bonded Turntrans-58.5144176.9-53-176.4000110.4T20 L27 Y148 L158 G179T20-L177 HydrophobicContact CG2-CD2 3.95Å; L27-L177 HydrophobicContact CD2-CD2 4.46Å; L27-L177 HydrophobicContact CG-CD2 4.24Å; L27-L177 CarbonylContact O-C 3.59Å; L27-L177 WeakPolarHBondContact O-CA 3.38Å; Y148-L177 WeakPolarHBondContact OH-CB 3.49Å; Y148-L177 PolarHBondContact OH-O 3.48Å; Y148-L177 VanDerWaalsContact OH-O 3.14Å; L158-L177 HydrophobicContact CD2-CD1 3.75Å; L158-L177 HydrophobicContact CD2-CG 4.25Å; L158-L177 HydrophobicContact CG-CD1 3.8Å; L177-G179 PolarHBondContact O-N 3.47Å
178W97.6Very high98.3Very high11 Ų1127.6 Ų27.64%0.04215%0.153CC..THydrogen-bonded Turntrans673.5-173.6-49-78.2000115.3L27 M32 A55 F89 E91 H117 Y148 V176L27-W178 PolarHBondContact O-N 3.36Å; M32-W178 HydrophobicContact CE-CZ2 4.07Å; M32-W178 HydrophobicContact SD-CZ2 4.49Å; A55-W178 HydrophobicContact CB-CE3 3.64Å; A55-W178 HydrophobicContact CB-CZ3 3.67Å; F89-W178 HydrophobicContact CE1-CZ2 4.17Å; F89-W178 HydrophobicContact CZ-CH2 4.46Å; F89-W178 AromaticContact CZ-CZ2 3.67Å; F89-W178 HydrophobicContact CZ-CZ2 3.67Å; E91-W178 PolarHBondContact OE1-NE1 3.37Å; H117-W178 HydrophobicContact CB-CD2 3.73Å; H117-W178 HydrophobicContact CB-CE3 4.44Å; H117-W178 HydrophobicContact CB-CG 3.8Å; H117-W178 HydrophobicContact CB-CZ2 4.16Å; H117-W178 AromaticContact CD2-CH2 4Å; H117-W178 AromaticContact CD2-CZ2 3.89Å; Y148-W178 HydrophobicContact CE2-CZ3 4.31Å; Y148-W178 AromaticContact CZ-CE3 3.98Å; Y148-W178 AromaticContact CZ-CZ3 3.88Å; Y148-W178 WeakPolarHBondContact OH-CZ3 3.45Å; V176-W178 PolarHBondContact O-N 2.91Å
179G98.3Very high98.4Very high1 Ų129.5 Ų29.51%0.0116%0.16CC..  trans81.9-147165.300000114.8Y54 G174 V176 L177 W181Y54-G179 PolarHBondContact OH-O 2.93Å; G174-G179 CarbonylContact O-C 3.55Å; G174-G179 VanDerWaalsContact O-CA 3.31Å; G174-G179 WeakPolarHBondContact O-CA 3.45Å; V176-G179 PolarHBondContact O-N 3.13Å; L177-G179 PolarHBondContact O-N 3.47Å; G179-W181 PolarHBondContact O-N 2.89Å
180S98.8Very high98.3Very high19 Ų1929.7 Ų29.713%0.13316%0.164CC..  trans-70.3119.6-176.5169.10000112.2Y182 D183 H184S180-Y182 PolarHBondContact O-N 3.19Å; S180-Y182 PolarHBondContact OG-N 3.38Å; S180-D183 WeakPolarHBondContact CB-OD2 3.32Å; S180-D183 PolarHBondContact O-N 3.02Å; S180-D183 PolarHBondContact OG-N 2.93Å; S180-D183 PolarHBondContact OG-OD2 2.68Å; S180-H184 VanDerWaalsContact O-CB 3.3Å; S180-H184 WeakPolarHBondContact O-CB 3.48Å; S180-H184 PolarHBondContact O-N 3.41Å
181W98.9Very high98.3Very high0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-54.5-41.3170.6173.394.6000111.5Y54 R139 A141 F171 G179 H184 V185 Y289 M293 F300Y54-W181 HydrophobicContact CD1-CB 4.38Å; Y54-W181 AromaticContact CD1-CD1 3.51Å; Y54-W181 HydrophobicContact CD1-CG 4.33Å; Y54-W181 HydrophobicContact CD2-CB 4.45Å; Y54-W181 HydrophobicContact CE1-CB 4.04Å; Y54-W181 AromaticContact CE1-CD1 3.85Å; Y54-W181 HydrophobicContact CE1-CG 4.37Å; Y54-W181 HydrophobicContact CE2-CB 4.12Å; Y54-W181 AromaticContact CG-CD1 3.87Å; R139-W181 VanDerWaalsContact O-CZ2 3.3Å; R139-W181 WeakPolarHBondContact O-CZ2 3.28Å; R139-W181 PolarHBondContact O-NE1 2.79Å; R139-W181 VanDerWaalsContact O-NE1 3.11Å; A141-W181 HydrophobicContact CB-CD2 3.62Å; A141-W181 HydrophobicContact CB-CE3 3.6Å; A141-W181 HydrophobicContact CB-CG 4.37Å; A141-W181 HydrophobicContact CB-CH2 3.82Å; A141-W181 HydrophobicContact CB-CZ2 3.78Å; A141-W181 HydrophobicContact CB-CZ3 3.72Å; F171-W181 HydrophobicContact CE1-CB 3.94Å; F171-W181 HydrophobicContact CE1-CG 4.42Å; F171-W181 HydrophobicContact CE2-CB 4.36Å; F171-W181 HydrophobicContact CZ-CB 3.54Å; F171-W181 AromaticContact CZ-CG 3.92Å; F171-W181 HydrophobicContact CZ-CG 3.92Å; G179-W181 PolarHBondContact O-N 2.89Å; W181-H184 PolarHBondContact O-N 3.4Å; W181-V185 HydrophobicContact CD2-CG1 4.21Å; W181-V185 HydrophobicContact CD2-CG2 4.34Å; W181-V185 HydrophobicContact CE3-CG2 4.19Å; W181-V185 HydrophobicContact CH2-CG2 3.84Å; W181-V185 HydrophobicContact CZ2-CG1 3.91Å; W181-V185 HydrophobicContact CZ2-CG2 4.04Å; W181-V185 HydrophobicContact CZ3-CG2 3.93Å; W181-V185 WeakPolarHBondContact O-CG2 3.4Å; W181-V185 PolarHBondContact O-N 2.82Å; W181-Y289 AromaticContact CH2-CE2 3.65Å; W181-Y289 HydrophobicContact CH2-CE2 3.65Å; W181-Y289 HydrophobicContact CZ3-CD2 4.17Å; W181-Y289 AromaticContact CZ3-CE2 3.55Å; W181-Y289 HydrophobicContact CZ3-CE2 3.55Å; W181-M293 HydrophobicContact CH2-CE 4.45Å; W181-M293 HydrophobicContact CZ3-CE 4.38Å; W181-M293 HydrophobicContact CZ3-CG 4.45Å; W181-M293 HydrophobicContact CZ3-SD 3.93Å; W181-F300 AromaticContact CH2-CD2 3.81Å; W181-F300 HydrophobicContact CH2-CD2 3.81Å; W181-F300 HydrophobicContact CH2-CE1 4.46Å; W181-F300 AromaticContact CH2-CE2 3.47Å; W181-F300 HydrophobicContact CH2-CE2 3.47Å; W181-F300 VanDerWaalsContact CH2-CE2 3.47Å; W181-F300 HydrophobicContact CH2-CG 4.39Å; W181-F300 AromaticContact CH2-CZ 3.86Å; W181-F300 HydrophobicContact CH2-CZ 3.86Å; W181-F300 HydrophobicContact CZ2-CD1 4.33Å; W181-F300 HydrophobicContact CZ2-CD2 4.2Å; W181-F300 AromaticContact CZ2-CE1 3.93Å; W181-F300 HydrophobicContact CZ2-CE1 3.93Å; W181-F300 AromaticContact CZ2-CE2 3.75Å; W181-F300 HydrophobicContact CZ2-CE2 3.75Å; W181-F300 HydrophobicContact CZ2-CG 4.44Å; W181-F300 AromaticContact CZ2-CZ 3.61Å; W181-F300 HydrophobicContact CZ2-CZ 3.61Å
182Y98.8Very high98.3Very high0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-60.7-50.3-177.6-53.9-81.3000111.4S180 H184 V185 K186 D288 Y289 K292 M293S180-Y182 PolarHBondContact O-N 3.19Å; S180-Y182 PolarHBondContact OG-N 3.38Å; Y182-H184 VanDerWaalsContact C-N 3.32Å; Y182-V185 WeakPolarHBondContact O-CG2 3.33Å; Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 WeakPolarHBondContact O-CE 3.3Å; Y182-K186 VanDerWaalsContact O-CG 3.27Å; Y182-K186 WeakPolarHBondContact O-CG 3.24Å; Y182-K186 PolarHBondContact O-N 3.23Å; Y182-K186 VanDerWaalsContact O-N 3.11Å; Y182-D288 PolarHBondContact OH-OD2 2.92Å; Y182-Y289 HydrophobicContact CD1-CD2 4.45Å; Y182-Y289 AromaticContact CE1-CD2 3.72Å; Y182-Y289 HydrophobicContact CE1-CD2 3.72Å; Y182-Y289 HydrophobicContact CE1-CE2 4.47Å; Y182-Y289 HydrophobicContact CE1-CG 4.31Å; Y182-K292 HydrophobicContact CD1-CB 3.68Å; Y182-K292 HydrophobicContact CD1-CD 4.19Å; Y182-K292 HydrophobicContact CD2-CB 4.28Å; Y182-K292 HydrophobicContact CD2-CD 3.37Å; Y182-K292 HydrophobicContact CD2-CG 4.45Å; Y182-K292 HydrophobicContact CE1-CB 4.04Å; Y182-K292 HydrophobicContact CE1-CD 4.2Å; Y182-K292 HydrophobicContact CE2-CD 3.35Å; Y182-K292 HydrophobicContact CG-CB 3.8Å; Y182-K292 HydrophobicContact CG-CD 3.79Å; Y182-K292 HydrophobicContact CG-CG 4.44Å; Y182-M293 HydrophobicContact CD1-CG 3.95Å; Y182-M293 HydrophobicContact CD1-SD 3.85Å; Y182-M293 HydrophobicContact CE1-CG 4.46Å
183D98.6Very high98.2Very high83 Ų8336 Ų3644%0.44420%0.195SC..Hα-helixtrans-73.6-31.3-177-56.2-43000110.9S180 K186 G187S180-D183 WeakPolarHBondContact CB-OD2 3.32Å; S180-D183 PolarHBondContact O-N 3.02Å; S180-D183 PolarHBondContact OG-N 2.93Å; S180-D183 PolarHBondContact OG-OD2 2.68Å; D183-K186 IonicContact OD1-NZ 3.75Å; D183-K186 PolarHBondContact OD1-NZ 2.91Å; D183-G187 PolarHBondContact O-N 3.33Å
184H98.9Very high98.2Very high2 Ų239.7 Ų39.71%0.00920%0.202CC..Hα-helixtrans-62.4-53.7173.9-162.3-67000111.7Y54 H117 L118 Y136 S180 W181 Y182 K186 W188Y54-H184 HydrophobicContact CD2-CB 3.83Å; Y54-H184 AromaticContact CD2-CD2 3.81Å; Y54-H184 AromaticContact CD2-CG 3.75Å; Y54-H184 PolarHBondContact N-CE1 3.44Å; H117-H184 PolarHBondContact O-NE2 2.71Å; L118-H184 PolarHBondContact O-NE2 3.44Å; Y136-H184 AromaticContact CE2-CE1 3.72Å; Y136-H184 AromaticContact CE2-ND1 3.82Å; Y136-H184 AromaticContact CZ-ND1 3.78Å; Y136-H184 PolarHBondContact OH-ND1 3.3Å; S180-H184 VanDerWaalsContact O-CB 3.3Å; S180-H184 WeakPolarHBondContact O-CB 3.48Å; S180-H184 PolarHBondContact O-N 3.41Å; W181-H184 PolarHBondContact O-N 3.4Å; Y182-H184 VanDerWaalsContact C-N 3.32Å; H184-K186 PolarHBondContact O-N 2.85Å; H184-W188 AromaticContact CE1-CD1 3.51Å; H184-W188 AromaticContact CE1-NE1 3.4Å; H184-W188 PolarHBondContact CE1-NE1 3.2Å; H184-W188 AromaticContact ND1-CD1 3.48Å; H184-W188 AromaticContact ND1-NE1 3.85Å; H184-W188 AromaticContact NE2-NE1 3.97Å; H184-W188 VanDerWaalsContact O-CD1 3.27Å; H184-W188 PolarHBondContact O-N 3.12Å
185V98.9Very high98.2Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-68-35.3-178-60.70000112.7A138 W181 Y182 W189 Y199 M293 I298 F300A138-V185 HydrophobicContact CB-CG1 4.37Å; W181-V185 HydrophobicContact CD2-CG1 4.21Å; W181-V185 HydrophobicContact CD2-CG2 4.34Å; W181-V185 HydrophobicContact CE3-CG2 4.19Å; W181-V185 HydrophobicContact CH2-CG2 3.84Å; W181-V185 HydrophobicContact CZ2-CG1 3.91Å; W181-V185 HydrophobicContact CZ2-CG2 4.04Å; W181-V185 HydrophobicContact CZ3-CG2 3.93Å; W181-V185 WeakPolarHBondContact O-CG2 3.4Å; W181-V185 PolarHBondContact O-N 2.82Å; Y182-V185 WeakPolarHBondContact O-CG2 3.33Å; V185-W189 VanDerWaalsContact O-CB 3.27Å; V185-W189 WeakPolarHBondContact O-CB 3.43Å; V185-W189 PolarHBondContact O-N 3.18Å; V185-Y199 PolarHBondContact O-OH 3.2Å; V185-M293 HydrophobicContact CG2-CE 4.14Å; V185-M293 HydrophobicContact CG2-SD 4.5Å; V185-I298 HydrophobicContact CG2-CD1 4.41Å; V185-F300 HydrophobicContact CB-CZ 4.09Å; V185-F300 HydrophobicContact CG1-CZ 4.13Å; V185-F300 HydrophobicContact CG2-CE2 4.16Å; V185-F300 HydrophobicContact CG2-CZ 4.14Å
186K98.8Very high98.2Very high44 Ų4437.8 Ų37.819%0.19119%0.192CC..Hα-helixtrans-68.6-50.1175.5-73-178.2-59.4179.50111.7Y182 D183 H184 W188 W189 D190 K292 M293 I298Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 WeakPolarHBondContact O-CE 3.3Å; Y182-K186 VanDerWaalsContact O-CG 3.27Å; Y182-K186 WeakPolarHBondContact O-CG 3.24Å; Y182-K186 PolarHBondContact O-N 3.23Å; Y182-K186 VanDerWaalsContact O-N 3.11Å; D183-K186 IonicContact OD1-NZ 3.75Å; D183-K186 PolarHBondContact OD1-NZ 2.91Å; H184-K186 PolarHBondContact O-N 2.85Å; K186-W188 VanDerWaalsContact C-N 3.31Å; K186-W188 PolarHBondContact O-N 3.04Å; K186-W189 CarbonylContact O-C 3.45Å; K186-W189 WeakPolarHBondContact O-CA 3.3Å; K186-W189 WeakPolarHBondContact O-CB 3.16Å; K186-W189 PolarHBondContact O-N 3.27Å; K186-D190 PolarHBondContact O-N 2.81Å; K186-K292 PolarHBondContact NZ-O 2.82Å; K186-M293 HydrophobicContact CD-SD 4.14Å; K186-M293 HydrophobicContact CG-CE 4.18Å; K186-M293 HydrophobicContact CG-SD 4.17Å; K186-I298 HydrophobicContact CG-CD1 4.22Å
187G98.6Very high98.3Very high14 Ų1438.3 Ų38.314%0.14419%0.194CC..Hα-helixtrans-57.3-44.3-178.300000112.5D183 W189D183-G187 PolarHBondContact O-N 3.33Å; G187-W189 VanDerWaalsContact C-N 3.34Å; G187-W189 PolarHBondContact O-N 2.59Å
188W98.8Very high98.4Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-68.2-31.1174.8-79.9101.8000113.4L50 A52 L118 V120 L123 W128 I134 Y136 H184 K186 K192 I197 Y199L50-W188 HydrophobicContact CD2-CH2 4.38Å; A52-W188 HydrophobicContact CB-CH2 3.64Å; A52-W188 HydrophobicContact CB-CZ2 3.55Å; A52-W188 HydrophobicContact CB-CZ3 4.22Å; L118-W188 PolarHBondContact O-NE1 3.43Å; V120-W188 HydrophobicContact CB-CD2 4.13Å; V120-W188 HydrophobicContact CB-CG 4.21Å; V120-W188 HydrophobicContact CG2-CD2 4.33Å; V120-W188 HydrophobicContact CG2-CE3 4.38Å; L123-W188 HydrophobicContact CD1-CH2 4.26Å; L123-W188 HydrophobicContact CD1-CZ2 4.44Å; L123-W188 HydrophobicContact CD2-CH2 3.81Å; L123-W188 HydrophobicContact CG-CH2 4.48Å; W128-W188 HydrophobicContact CH2-CH2 4.24Å; W128-W188 AromaticContact CH2-CZ3 3.87Å; W128-W188 HydrophobicContact CH2-CZ3 3.87Å; I134-W188 HydrophobicContact CD1-CH2 4.2Å; I134-W188 HydrophobicContact CD1-CZ3 3.89Å; I134-W188 HydrophobicContact CG2-CH2 4.13Å; I134-W188 HydrophobicContact CG2-CZ3 3.76Å; Y136-W188 HydrophobicContact CD1-CB 4.17Å; Y136-W188 HydrophobicContact CD2-CB 3.7Å; Y136-W188 AromaticContact CD2-CD1 3.81Å; Y136-W188 AromaticContact CD2-CD2 3.49Å; Y136-W188 HydrophobicContact CD2-CD2 3.49Å; Y136-W188 VanDerWaalsContact CD2-CD2 3.49Å; Y136-W188 AromaticContact CD2-CE2 3.96Å; Y136-W188 AromaticContact CD2-CE3 3.96Å; Y136-W188 HydrophobicContact CD2-CE3 3.96Å; Y136-W188 AromaticContact CD2-CG 3.38Å; Y136-W188 HydrophobicContact CD2-CG 3.38Å; Y136-W188 HydrophobicContact CE1-CB 4.03Å; Y136-W188 HydrophobicContact CE2-CB 3.58Å; Y136-W188 AromaticContact CE2-CD1 3.18Å; Y136-W188 AromaticContact CE2-CD2 3.73Å; Y136-W188 HydrophobicContact CE2-CD2 3.73Å; Y136-W188 AromaticContact CE2-CE2 3.98Å; Y136-W188 AromaticContact CE2-CG 3.19Å; Y136-W188 HydrophobicContact CE2-CG 3.19Å; Y136-W188 AromaticContact CE2-NE1 3.64Å; Y136-W188 HydrophobicContact CG-CB 3.99Å; Y136-W188 HydrophobicContact CG-CD2 4.35Å; Y136-W188 HydrophobicContact CG-CG 4.16Å; Y136-W188 AromaticContact CZ-CD1 3.8Å; Y136-W188 AromaticContact CZ-CG 3.82Å; H184-W188 AromaticContact CE1-CD1 3.51Å; H184-W188 AromaticContact CE1-NE1 3.4Å; H184-W188 PolarHBondContact CE1-NE1 3.2Å; H184-W188 AromaticContact ND1-CD1 3.48Å; H184-W188 AromaticContact ND1-NE1 3.85Å; H184-W188 AromaticContact NE2-NE1 3.97Å; H184-W188 VanDerWaalsContact O-CD1 3.27Å; H184-W188 PolarHBondContact O-N 3.12Å; K186-W188 VanDerWaalsContact C-N 3.31Å; K186-W188 PolarHBondContact O-N 3.04Å; W188-K192 PolarHBondContact O-N 3.26Å; W188-I197 HydrophobicContact CE3-CD1 4.16Å; W188-I197 HydrophobicContact CZ3-CD1 4.24Å; W188-Y199 HydrophobicContact CB-CE2 4.17Å
189W98.8Very high98.4Very high42 Ų4240 Ų4016%0.15920%0.202CC..Hα-helixtrans-72.7-39.2177178-96.5000112.8V185 K186 G187 V191 K192 Y199 F201 T297 I298V185-W189 VanDerWaalsContact O-CB 3.27Å; V185-W189 WeakPolarHBondContact O-CB 3.43Å; V185-W189 PolarHBondContact O-N 3.18Å; K186-W189 CarbonylContact O-C 3.45Å; K186-W189 WeakPolarHBondContact O-CA 3.3Å; K186-W189 WeakPolarHBondContact O-CB 3.16Å; K186-W189 PolarHBondContact O-N 3.27Å; G187-W189 VanDerWaalsContact C-N 3.34Å; G187-W189 PolarHBondContact O-N 2.59Å; W189-V191 PolarHBondContact O-N 2.82Å; W189-K192 HydrophobicContact CD2-CD 3.66Å; W189-K192 HydrophobicContact CE3-CD 3.44Å; W189-K192 VanDerWaalsContact CE3-CD 3.44Å; W189-K192 HydrophobicContact CG-CD 4.28Å; W189-K192 HydrophobicContact CH2-CD 4.21Å; W189-K192 HydrophobicContact CZ2-CD 4.39Å; W189-K192 HydrophobicContact CZ3-CD 3.74Å; W189-K192 WeakPolarHBondContact O-CB 3.32Å; W189-K192 WeakPolarHBondContact O-CD 3.37Å; W189-K192 VanDerWaalsContact O-CG 3.25Å; W189-K192 WeakPolarHBondContact O-CG 3.47Å; W189-K192 PolarHBondContact O-N 3.32Å; W189-K192 PolarHBondContact O-NZ 2.92Å; W189-Y199 HydrophobicContact CB-CE2 3.83Å; W189-Y199 AromaticContact CE3-CD1 3.8Å; W189-Y199 HydrophobicContact CE3-CD1 3.8Å; W189-Y199 AromaticContact CE3-CD2 3.9Å; W189-Y199 HydrophobicContact CE3-CD2 3.9Å; W189-Y199 AromaticContact CE3-CE1 3.79Å; W189-Y199 HydrophobicContact CE3-CE1 3.79Å; W189-Y199 AromaticContact CE3-CE2 3.88Å; W189-Y199 HydrophobicContact CE3-CE2 3.88Å; W189-Y199 AromaticContact CE3-CG 3.84Å; W189-Y199 HydrophobicContact CE3-CG 3.84Å; W189-Y199 AromaticContact CE3-CZ 3.82Å; W189-Y199 AromaticContact CZ3-CD1 3.9Å; W189-Y199 HydrophobicContact CZ3-CD1 3.9Å; W189-Y199 HydrophobicContact CZ3-CE1 4.17Å; W189-Y199 HydrophobicContact CZ3-CG 4.15Å; W189-F201 HydrophobicContact CZ3-CE2 4.28Å; W189-F201 AromaticContact CZ3-CZ 3.91Å; W189-F201 HydrophobicContact CZ3-CZ 3.91Å; W189-T297 PolarHBondContact NE1-OG1 3.02Å; W189-I298 HydrophobicContact CB-CD1 3.49Å; W189-I298 VanDerWaalsContact CB-CD1 3.49Å; W189-I298 HydrophobicContact CB-CG1 3.87Å; W189-I298 HydrophobicContact CD2-CD1 4.1Å; W189-I298 HydrophobicContact CD2-CG1 3.43Å; W189-I298 VanDerWaalsContact CD2-CG1 3.43Å; W189-I298 HydrophobicContact CE3-CG1 4.01Å; W189-I298 HydrophobicContact CG-CD1 3.57Å; W189-I298 HydrophobicContact CG-CG1 3.34Å; W189-I298 HydrophobicContact CZ2-CG1 4.44Å
190D98.4Very high98.5Very high99 Ų9940.1 Ų40.153%0.52920%0.202SC..Hα-helixtrans-66.2-27.3-176.2-66.1-19.3000112K186 Q194K186-D190 PolarHBondContact O-N 2.81Å; D190-Q194 PolarHBondContact O-NE2 3.32Å
191V98.2Very high98.5Very high26 Ų2640.5 Ų40.516%0.15820%0.201CC..THydrogen-bonded Turntrans-100.8-3179-52.50000113.8V120 W128 W189 D193 Q194 H195 I197V120-V191 HydrophobicContact CG2-CG1 4.35Å; V120-V191 HydrophobicContact CG2-CG2 3.68Å; W128-V191 HydrophobicContact CH2-CG2 4.44Å; W189-V191 PolarHBondContact O-N 2.82Å; V191-D193 PolarHBondContact O-N 3.12Å; V191-D193 VanDerWaalsContact O-N 3.16Å; V191-Q194 WeakPolarHBondContact O-CB 3.32Å; V191-Q194 PolarHBondContact O-N 2.79Å; V191-H195 PolarHBondContact O-N 3.15Å; V191-I197 HydrophobicContact CG2-CD1 3.74Å
192K97.5Very high98.5Very high39 Ų3941.2 Ų41.217%0.1720%0.204CC..THydrogen-bonded Turntrans-60.8-31.1-171.182.7-168.7179.5-580113.7W188 W189 H195 I197 Y199W188-K192 PolarHBondContact O-N 3.26Å; W189-K192 HydrophobicContact CD2-CD 3.66Å; W189-K192 HydrophobicContact CE3-CD 3.44Å; W189-K192 VanDerWaalsContact CE3-CD 3.44Å; W189-K192 HydrophobicContact CG-CD 4.28Å; W189-K192 HydrophobicContact CH2-CD 4.21Å; W189-K192 HydrophobicContact CZ2-CD 4.39Å; W189-K192 HydrophobicContact CZ3-CD 3.74Å; W189-K192 WeakPolarHBondContact O-CB 3.32Å; W189-K192 WeakPolarHBondContact O-CD 3.37Å; W189-K192 VanDerWaalsContact O-CG 3.25Å; W189-K192 WeakPolarHBondContact O-CG 3.47Å; W189-K192 PolarHBondContact O-N 3.32Å; W189-K192 PolarHBondContact O-NZ 2.92Å; K192-H195 VanDerWaalsContact O-O 3.05Å; K192-I197 HydrophobicContact CB-CB 4.32Å; K192-I197 HydrophobicContact CB-CG2 4.18Å; K192-Y199 HydrophobicContact CB-CD2 4.41Å; K192-Y199 HydrophobicContact CD-CD2 4.4Å; K192-Y199 HydrophobicContact CD-CG 4.48Å
193D97.1Very high98.5Very high132 Ų13241.2 Ų41.271%0.70620%0.204SC*.THydrogen-bonded Turntrans-91.7-7.2-179.7-55.1-55.2000112.1V191V191-D193 PolarHBondContact O-N 3.12Å; V191-D193 VanDerWaalsContact O-N 3.16Å
194Q97.5Very high98.5Very high140 Ų14038.9 Ų38.965%0.65419%0.192SC*.THydrogen-bonded Turntrans-95.7-20.5179.4-56.1178.643.300112.2D190 V191D190-Q194 PolarHBondContact O-NE2 3.32Å; V191-Q194 WeakPolarHBondContact O-CB 3.32Å; V191-Q194 PolarHBondContact O-N 2.79Å
195H97.8Very high98.5Very high62 Ų6238.9 Ų38.929%0.28719%0.192SC..THydrogen-bonded Turntrans-131.7171.3-177.8-62.2-62.8000111.3W128 V191 K192 I197W128-H195 HydrophobicContact CE3-CB 4.27Å; W128-H195 AromaticContact CE3-CD2 3.62Å; W128-H195 AromaticContact CE3-CE1 3.84Å; W128-H195 AromaticContact CE3-CG 3.64Å; W128-H195 AromaticContact CE3-ND1 3.77Å; W128-H195 AromaticContact CE3-NE2 3.76Å; W128-H195 HydrophobicContact CZ3-CB 3.98Å; W128-H195 AromaticContact CZ3-CD2 3.47Å; W128-H195 VanDerWaalsContact CZ3-CD2 3.47Å; W128-H195 WeakPolarHBondContact CZ3-CD2 3.19Å; W128-H195 AromaticContact CZ3-CG 3.65Å; V191-H195 PolarHBondContact O-N 3.15Å; K192-H195 VanDerWaalsContact O-O 3.05Å; H195-I197 HydrophobicContact CB-CD1 3.87Å; H195-I197 HydrophobicContact CB-CG1 4.06Å; H195-I197 PolarHBondContact O-N 3.38Å
196H98.1Very high98.5Very high64 Ų6441.1 Ų41.130%0.29620%0.201SC..THydrogen-bonded Turntrans-76.870.8179.5-160.5173.4000111.7K133 I134 F219K133-H196 VanDerWaalsContact CE-CE1 3.48Å; K133-H196 WeakPolarHBondContact CE-CE1 3.48Å; I134-H196 PolarHBondContact N-O 2.94Å; H196-F219 AromaticContact CD2-CE2 3.3Å; H196-F219 WeakPolarHBondContact CD2-CE2 3.27Å; H196-F219 AromaticContact CD2-CZ 3.77Å; H196-F219 AromaticContact NE2-CE2 3.53Å; H196-F219 WeakPolarHBondContact O-CZ 3.47Å
197I98.8Very high98.5Very high19 Ų1943.3 Ų43.310%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-115.8123.9-174.6-62.7165.8000110.8W128 I134 W188 V191 K192 H195W128-I197 HydrophobicContact CZ3-CD1 4.3Å; I134-I197 HydrophobicContact CB-CG1 4Å; I134-I197 HydrophobicContact CD1-CG1 4.28Å; I134-I197 CarbonylContact O-C 3.59Å; I134-I197 VanDerWaalsContact O-CA 3.3Å; I134-I197 WeakPolarHBondContact O-CA 3.47Å; W188-I197 HydrophobicContact CE3-CD1 4.16Å; W188-I197 HydrophobicContact CZ3-CD1 4.24Å; V191-I197 HydrophobicContact CG2-CD1 3.74Å; K192-I197 HydrophobicContact CB-CB 4.32Å; K192-I197 HydrophobicContact CB-CG2 4.18Å; H195-I197 HydrophobicContact CB-CD1 3.87Å; H195-I197 HydrophobicContact CB-CG1 4.06Å; H195-I197 PolarHBondContact O-N 3.38Å
198L98.9Very high98.4Very high28 Ų2845.6 Ų45.615%0.14722%0.221CC..EExtended strand (participates in β ladder)trans-91.7107.9162.2177.664.6000109.1I134 I135 Y136 L200 K215 I216 F219I134-L198 PolarHBondContact O-N 3.41Å; I135-L198 HydrophobicContact CG1-CB 4.4Å; I135-L198 HydrophobicContact CG1-CD2 4.42Å; Y136-L198 PolarHBondContact N-O 3.46Å; L198-L200 HydrophobicContact CD1-CD2 3.94Å; L198-L200 HydrophobicContact CD2-CD1 4.06Å; L198-L200 HydrophobicContact CD2-CD2 4.06Å; L198-L200 HydrophobicContact CD2-CG 4.16Å; L198-L200 HydrophobicContact CG-CD1 4.36Å; L198-L200 HydrophobicContact CG-CD2 3.85Å; L198-L200 HydrophobicContact CG-CG 3.94Å; L198-K215 HydrophobicContact CD1-CB 4.49Å; L198-I216 HydrophobicContact CD2-CG1 3.93Å; L198-F219 HydrophobicContact CB-CB 4.42Å; L198-F219 HydrophobicContact CB-CD1 3.92Å; L198-F219 HydrophobicContact CB-CD2 3.63Å; L198-F219 HydrophobicContact CB-CE1 3.99Å; L198-F219 HydrophobicContact CB-CE2 3.66Å; L198-F219 HydrophobicContact CB-CG 3.73Å; L198-F219 HydrophobicContact CB-CZ 3.86Å; L198-F219 HydrophobicContact CD2-CB 3.79Å; L198-F219 HydrophobicContact CD2-CD1 4.19Å; L198-F219 HydrophobicContact CD2-CG 3.94Å; L198-F219 HydrophobicContact CG-CG 4.37Å
199Y98.9Very high98.4Very high27 Ų2747.5 Ų47.511%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-92.6119.1176.5-157.3-70.3000110.4Y136 A138 V185 W188 W189 K192 F201Y136-Y199 HydrophobicContact CD1-CD1 4.25Å; Y136-Y199 AromaticContact CD1-CD2 3.5Å; Y136-Y199 HydrophobicContact CD1-CD2 3.5Å; Y136-Y199 VanDerWaalsContact CD1-CD2 3.5Å; Y136-Y199 AromaticContact CD1-CE1 3.98Å; Y136-Y199 HydrophobicContact CD1-CE1 3.98Å; Y136-Y199 AromaticContact CD1-CE2 3.18Å; Y136-Y199 HydrophobicContact CD1-CE2 3.18Å; Y136-Y199 HydrophobicContact CD1-CG 4.04Å; Y136-Y199 AromaticContact CD1-CZ 3.46Å; Y136-Y199 VanDerWaalsContact CD1-CZ 3.46Å; Y136-Y199 HydrophobicContact CE1-CD2 4.24Å; Y136-Y199 HydrophobicContact CE1-CE1 4.17Å; Y136-Y199 AromaticContact CE1-CE2 3.45Å; Y136-Y199 HydrophobicContact CE1-CE2 3.45Å; Y136-Y199 VanDerWaalsContact CE1-CE2 3.45Å; Y136-Y199 AromaticContact CE1-CZ 3.41Å; Y136-Y199 VanDerWaalsContact CE1-CZ 3.41Å; Y136-Y199 WeakPolarHBondContact CE1-OH 3.43Å; Y136-Y199 HydrophobicContact CG-CD2 4.13Å; Y136-Y199 HydrophobicContact CG-CE2 4.09Å; Y136-Y199 CarbonylContact O-C 3.6Å; Y136-Y199 WeakPolarHBondContact O-CA 3.35Å; A138-Y199 HydrophobicContact CB-CE1 3.54Å; V185-Y199 PolarHBondContact O-OH 3.2Å; W188-Y199 HydrophobicContact CB-CE2 4.17Å; W189-Y199 HydrophobicContact CB-CE2 3.83Å; W189-Y199 AromaticContact CE3-CD1 3.8Å; W189-Y199 HydrophobicContact CE3-CD1 3.8Å; W189-Y199 AromaticContact CE3-CD2 3.9Å; W189-Y199 HydrophobicContact CE3-CD2 3.9Å; W189-Y199 AromaticContact CE3-CE1 3.79Å; W189-Y199 HydrophobicContact CE3-CE1 3.79Å; W189-Y199 AromaticContact CE3-CE2 3.88Å; W189-Y199 HydrophobicContact CE3-CE2 3.88Å; W189-Y199 AromaticContact CE3-CG 3.84Å; W189-Y199 HydrophobicContact CE3-CG 3.84Å; W189-Y199 AromaticContact CE3-CZ 3.82Å; W189-Y199 AromaticContact CZ3-CD1 3.9Å; W189-Y199 HydrophobicContact CZ3-CD1 3.9Å; W189-Y199 HydrophobicContact CZ3-CE1 4.17Å; W189-Y199 HydrophobicContact CZ3-CG 4.15Å; K192-Y199 HydrophobicContact CB-CD2 4.41Å; K192-Y199 HydrophobicContact CD-CD2 4.4Å; K192-Y199 HydrophobicContact CD-CG 4.48Å; Y199-F201 HydrophobicContact CD1-CE1 4.5Å; Y199-F201 HydrophobicContact CD1-CE2 4.15Å; Y199-F201 HydrophobicContact CD1-CZ 4.01Å; Y199-F201 AromaticContact CE1-CE1 3.9Å; Y199-F201 HydrophobicContact CE1-CE1 3.9Å; Y199-F201 HydrophobicContact CE1-CE2 4.34Å; Y199-F201 AromaticContact CE1-CZ 3.77Å; Y199-F201 HydrophobicContact CE1-CZ 3.77Å
200L98.9Very high98.4Very high2 Ų249 Ų491%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-118.9158.8-179.3-57.5175.1000111.2I135 Y136 V137 A138 L198 M205 K215 I216I135-L200 HydrophobicContact CG2-CD1 4Å; Y136-L200 PolarHBondContact O-N 2.72Å; V137-L200 WeakPolarHBondContact CA-O 3.24Å; V137-L200 HydrophobicContact CG2-CB 4.22Å; V137-L200 HydrophobicContact CG2-CD1 4.42Å; A138-L200 PolarHBondContact N-O 3.11Å; L198-L200 HydrophobicContact CD1-CD2 3.94Å; L198-L200 HydrophobicContact CD2-CD1 4.06Å; L198-L200 HydrophobicContact CD2-CD2 4.06Å; L198-L200 HydrophobicContact CD2-CG 4.16Å; L198-L200 HydrophobicContact CG-CD1 4.36Å; L198-L200 HydrophobicContact CG-CD2 3.85Å; L198-L200 HydrophobicContact CG-CG 3.94Å; L200-M205 HydrophobicContact CB-SD 4.5Å; L200-K215 HydrophobicContact CD2-CD 4.19Å; L200-I216 HydrophobicContact CD1-CD1 3.78Å; L200-I216 HydrophobicContact CD1-CG1 3.72Å
201F98.9Very high98.5Very high28 Ų2848.6 Ų48.612%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-113.6132172.7-62.4-88000109.9A138 W189 Y199 E203 D204 M205 I298 F300A138-F201 HydrophobicContact CB-CD1 4.24Å; A138-F201 HydrophobicContact CB-CE1 4.37Å; A138-F201 CarbonylContact O-C 3.54Å; A138-F201 WeakPolarHBondContact O-CA 3.22Å; W189-F201 HydrophobicContact CZ3-CE2 4.28Å; W189-F201 AromaticContact CZ3-CZ 3.91Å; W189-F201 HydrophobicContact CZ3-CZ 3.91Å; Y199-F201 HydrophobicContact CD1-CE1 4.5Å; Y199-F201 HydrophobicContact CD1-CE2 4.15Å; Y199-F201 HydrophobicContact CD1-CZ 4.01Å; Y199-F201 AromaticContact CE1-CE1 3.9Å; Y199-F201 HydrophobicContact CE1-CE1 3.9Å; Y199-F201 HydrophobicContact CE1-CE2 4.34Å; Y199-F201 AromaticContact CE1-CZ 3.77Å; Y199-F201 HydrophobicContact CE1-CZ 3.77Å; F201-E203 PolarHBondContact O-N 2.83Å; F201-D204 HydrophobicContact CB-CB 4.2Å; F201-D204 WeakPolarHBondContact O-CB 3.27Å; F201-D204 PolarHBondContact O-N 3.18Å; F201-D204 VanDerWaalsContact O-N 3.1Å; F201-M205 WeakPolarHBondContact O-CG 3.46Å; F201-M205 PolarHBondContact O-N 3.37Å; F201-I298 HydrophobicContact CE1-CG2 3.73Å; F201-I298 HydrophobicContact CZ-CG2 3.95Å; F201-F300 AromaticContact CD1-CD1 3.96Å; F201-F300 HydrophobicContact CD1-CD1 3.96Å; F201-F300 AromaticContact CD1-CE1 3.82Å; F201-F300 HydrophobicContact CD1-CE1 3.82Å; F201-F300 HydrophobicContact CE1-CD1 4.14Å; F201-F300 AromaticContact CE1-CE1 3.83Å; F201-F300 HydrophobicContact CE1-CE1 3.83Å; F201-F300 HydrophobicContact CE1-CZ 4.13Å
202Y98.9Very high98.5Very high14 Ų1447.5 Ų47.56%0.05523%0.225CC..Hα-helixtrans-55.3-38.1176.8178.8-93.4000111.5W61 A138 R139 M205 K206 G268 P270W61-Y202 AromaticContact CE3-CD2 3.89Å; W61-Y202 HydrophobicContact CE3-CD2 3.89Å; W61-Y202 AromaticContact CE3-CE2 3.54Å; W61-Y202 HydrophobicContact CE3-CE2 3.54Å; W61-Y202 AromaticContact CZ3-CD2 3.94Å; W61-Y202 HydrophobicContact CZ3-CD2 3.94Å; W61-Y202 AromaticContact CZ3-CE2 3.68Å; W61-Y202 HydrophobicContact CZ3-CE2 3.68Å; A138-Y202 PolarHBondContact O-N 2.93Å; R139-Y202 HydrophobicContact CB-CG 4.3Å; R139-Y202 HydrophobicContact CG-CD1 3.93Å; R139-Y202 HydrophobicContact CG-CG 3.98Å; Y202-M205 PolarHBondContact O-N 3.42Å; Y202-K206 HydrophobicContact CD1-CG 4.04Å; Y202-K206 HydrophobicContact CE1-CD 4.26Å; Y202-K206 HydrophobicContact CE1-CG 3.58Å; Y202-K206 HydrophobicContact CE2-CG 4.46Å; Y202-K206 WeakPolarHBondContact O-CB 3.21Å; Y202-K206 WeakPolarHBondContact O-CG 3.36Å; Y202-K206 PolarHBondContact O-N 2.93Å; Y202-G268 WeakPolarHBondContact OH-CA 3.46Å; Y202-G268 PolarHBondContact OH-O 3.42Å; Y202-P270 HydrophobicContact CD1-CG 4.23Å; Y202-P270 HydrophobicContact CE1-CG 4.1Å
203E98.9Very high98.5Very high1 Ų145.7 Ų45.71%0.00522%0.218CC..Hα-helixtrans-65-41.4178.4-63.777.7-160.500112R139 N140 F201 M205 K206 E207 P270 R301 I304R139-E203 WeakPolarHBondContact CG-OE1 3.31Å; N140-E203 PolarHBondContact N-OE1 3Å; N140-E203 PolarHBondContact ND2-OE1 3.16Å; F201-E203 PolarHBondContact O-N 2.83Å; E203-M205 VanDerWaalsContact C-N 3.33Å; E203-K206 PolarHBondContact O-N 2.91Å; E203-E207 WeakPolarHBondContact O-CB 3.49Å; E203-E207 PolarHBondContact O-N 3.15Å; E203-P270 HydrophobicContact CB-CG 4.47Å; E203-P270 HydrophobicContact CG-CB 4.03Å; E203-P270 HydrophobicContact CG-CG 4.04Å; E203-R301 HydrophobicContact CB-CB 4.32Å; E203-R301 HydrophobicContact CG-CB 4.31Å; E203-R301 WeakPolarHBondContact CG-O 3.49Å; E203-I304 HydrophobicContact CB-CG2 4.04Å
204D98.9Very high98.6Very high33 Ų3344.2 Ų44.218%0.17621%0.205CC..Hα-helixtrans-64.6-40.5175-66.3-1.4000111.1F201 K206 E207 D208 E212 R301F201-D204 HydrophobicContact CB-CB 4.2Å; F201-D204 WeakPolarHBondContact O-CB 3.27Å; F201-D204 PolarHBondContact O-N 3.18Å; F201-D204 VanDerWaalsContact O-N 3.1Å; D204-K206 PolarHBondContact O-N 2.79Å; D204-E207 PolarHBondContact O-N 3.14Å; D204-D208 PolarHBondContact O-N 2.93Å; D204-E212 HydrophobicContact CB-CG 3.99Å; D204-E212 WeakPolarHBondContact O-CG 3.2Å; D204-R301 IonicContact OD1-CZ 3.43Å; D204-R301 IonicContact OD1-NE 3.51Å; D204-R301 IonicContact OD1-NH2 2.76Å; D204-R301 PolarHBondContact OD1-NH2 3.07Å
205M98.8Very high98.7Very high3 Ų341.5 Ų41.52%0.01519%0.191CC..Hα-helixtrans-63.5-34.9176.5-65.117170.200111.1W61 I65 V137 L200 F201 Y202 E203 P209 E212W61-M205 HydrophobicContact CD2-CE 3.99Å; W61-M205 HydrophobicContact CE3-CB 4.35Å; W61-M205 HydrophobicContact CE3-CE 3.82Å; W61-M205 HydrophobicContact CG-CE 4.5Å; W61-M205 VanDerWaalsContact CH2-C 3.44Å; W61-M205 HydrophobicContact CH2-CB 3.56Å; W61-M205 VanDerWaalsContact CH2-O 3.31Å; W61-M205 WeakPolarHBondContact CH2-O 3.34Å; W61-M205 HydrophobicContact CZ2-CB 4.41Å; W61-M205 HydrophobicContact CZ3-CB 3.51Å; W61-M205 HydrophobicContact CZ3-CE 4.14Å; I65-M205 HydrophobicContact CD1-CE 3.69Å; V137-M205 HydrophobicContact CG1-SD 3.81Å; V137-M205 HydrophobicContact CG2-SD 4.39Å; L200-M205 HydrophobicContact CB-SD 4.5Å; F201-M205 WeakPolarHBondContact O-CG 3.46Å; F201-M205 PolarHBondContact O-N 3.37Å; Y202-M205 PolarHBondContact O-N 3.42Å; E203-M205 VanDerWaalsContact C-N 3.33Å; M205-P209 WeakPolarHBondContact O-CA 3.47Å; M205-P209 WeakPolarHBondContact O-CD 3.3Å; M205-P209 WeakPolarHBondContact O-CG 3.33Å; M205-E212 HydrophobicContact CB-CB 4.39Å; M205-E212 HydrophobicContact CB-CG 4.3Å; M205-E212 HydrophobicContact CG-CB 3.85Å; M205-E212 HydrophobicContact CG-CG 3.93Å
206K98.4Very high98.8Very high46 Ų4638.5 Ų38.520%0.218%0.177CC..Hα-helixtrans-76.7-37.8179-77.3-64.1-47.8-171.80112.9W61 Y202 E203 D204 G268 M269 P270 I304W61-K206 HydrophobicContact CH2-CB 4.48Å; W61-K206 HydrophobicContact CH2-CD 3.45Å; W61-K206 VanDerWaalsContact CH2-CD 3.45Å; W61-K206 HydrophobicContact CH2-CG 3.82Å; W61-K206 HydrophobicContact CZ2-CD 4.39Å; W61-K206 HydrophobicContact CZ3-CD 3.6Å; W61-K206 HydrophobicContact CZ3-CG 3.71Å; Y202-K206 HydrophobicContact CD1-CG 4.04Å; Y202-K206 HydrophobicContact CE1-CD 4.26Å; Y202-K206 HydrophobicContact CE1-CG 3.58Å; Y202-K206 HydrophobicContact CE2-CG 4.46Å; Y202-K206 WeakPolarHBondContact O-CB 3.21Å; Y202-K206 WeakPolarHBondContact O-CG 3.36Å; Y202-K206 PolarHBondContact O-N 2.93Å; E203-K206 PolarHBondContact O-N 2.91Å; D204-K206 PolarHBondContact O-N 2.79Å; K206-G268 WeakPolarHBondContact CD-O 3.43Å; K206-G268 WeakPolarHBondContact CE-O 3.34Å; K206-G268 PolarHBondContact NZ-O 2.92Å; K206-M269 WeakPolarHBondContact CE-SD 3.22Å; K206-M269 PolarHBondContact NZ-SD 3.24Å; K206-P270 HydrophobicContact CB-CG 3.97Å; K206-P270 HydrophobicContact CG-CG 4.04Å; K206-I304 HydrophobicContact CB-CD1 3.52Å
207E98.5Very high98.8Very high90 Ų9036.2 Ų36.242%0.42117%0.168SC..Hα-helixtrans-69-49178.2175.4-175.1-114.800111.9E203 D204 R211 R301 I304E203-E207 WeakPolarHBondContact O-CB 3.49Å; E203-E207 PolarHBondContact O-N 3.15Å; D204-E207 PolarHBondContact O-N 3.14Å; E207-R211 IonicContact OE2-CZ 3.66Å; E207-R211 IonicContact OE2-NH1 2.75Å; E207-R211 IonicContact OE2-NH2 2.84Å; E207-R211 PolarHBondContact OE2-NH2 3.27Å; E207-R301 IonicContact OE1-CZ 2.65Å; E207-R301 IonicContact OE1-NH1 3.64Å; E207-R301 PolarHBondContact OE1-NH1 2.79Å; E207-R301 IonicContact OE1-NH2 3.47Å; E207-R301 IonicContact OE2-CZ 3.4Å; E207-R301 IonicContact OE2-NH1 3.54Å; E207-R301 PolarHBondContact OE2-NH1 2.9Å; E207-R301 IonicContact OE2-NH2 3.5Å; E207-R301 PolarHBondContact OE2-NH2 3.38Å; E207-I304 HydrophobicContact CB-CD1 4.34Å; E207-I304 HydrophobicContact CB-CG2 4.46Å
208D98.6Very high98.8Very high62 Ų6243.6 Ų43.633%0.33220%0.199SC..  trans-138.981.8179.6-170.4-18.4000110.7D204 K210 R211 E212D204-D208 PolarHBondContact O-N 2.93Å; D208-K210 PolarHBondContact O-N 3.36Å; D208-K210 PolarHBondContact OD1-N 3.38Å; D208-R211 HydrophobicContact CB-CB 3.92Å; D208-R211 PolarHBondContact O-N 3.41Å; D208-R211 WeakPolarHBondContact OD1-CB 3.17Å; D208-R211 PolarHBondContact OD1-N 2.94Å; D208-R211 WeakPolarHBondContact OD2-CB 3.36Å; D208-E212 PolarHBondContact O-N 3.47Å
209P98.5Very high98.8Very high40 Ų4043.5 Ų43.526%0.2620%0.198SC..Hα-helixtrans-56.3-35.5179.1-21.828.3000112.5M205 E212 I213M205-P209 WeakPolarHBondContact O-CA 3.47Å; M205-P209 WeakPolarHBondContact O-CD 3.3Å; M205-P209 WeakPolarHBondContact O-CG 3.33Å; P209-E212 PolarHBondContact O-N 2.93Å; P209-I213 HydrophobicContact CB-CD1 4.39Å; P209-I213 VanDerWaalsContact O-CB 3.25Å; P209-I213 WeakPolarHBondContact O-CB 3.48Å; P209-I213 WeakPolarHBondContact O-CD1 3.36Å; P209-I213 WeakPolarHBondContact O-CG1 3.3Å; P209-I213 PolarHBondContact O-N 3.06Å
210K98.8Very high98.8Very high75 Ų7543.3 Ų43.333%0.32620%0.198SC..Hα-helixtrans-65.7-45.4-178-175.6173.7-173.7170.20111D208 K214 E226 L229 I233D208-K210 PolarHBondContact O-N 3.36Å; D208-K210 PolarHBondContact OD1-N 3.38Å; K210-K214 WeakPolarHBondContact O-CB 3.34Å; K210-K214 WeakPolarHBondContact O-CG 3.16Å; K210-K214 PolarHBondContact O-N 2.87Å; K210-E226 WeakPolarHBondContact CE-OE1 3.2Å; K210-E226 IonicContact NZ-OE1 2.79Å; K210-E226 PolarHBondContact NZ-OE1 3.31Å; K210-L229 HydrophobicContact CG-CD2 4.06Å; K210-I233 HydrophobicContact CB-CD1 3.74Å; K210-I233 HydrophobicContact CD-CD1 4.36Å; K210-I233 HydrophobicContact CG-CD1 3.87Å
211R98.8Very high98.7Very high90 Ų9050 Ų5034%0.3423%0.229SC..Hα-helixtrans-60.2-48.6176.2-179-175.473.5-157.9-3.3111.3E207 D208 K214 K215E207-R211 IonicContact OE2-CZ 3.66Å; E207-R211 IonicContact OE2-NH1 2.75Å; E207-R211 IonicContact OE2-NH2 2.84Å; E207-R211 PolarHBondContact OE2-NH2 3.27Å; D208-R211 HydrophobicContact CB-CB 3.92Å; D208-R211 PolarHBondContact O-N 3.41Å; D208-R211 WeakPolarHBondContact OD1-CB 3.17Å; D208-R211 PolarHBondContact OD1-N 2.94Å; D208-R211 WeakPolarHBondContact OD2-CB 3.36Å; R211-K214 PolarHBondContact O-N 2.95Å; R211-K215 PolarHBondContact O-N 3.27Å
212E98.9Very high98.7Very high2 Ų252.7 Ų52.71%0.00924%0.241CC..Hα-helixtrans-70.8-38.9-177.3-59.2-47.1117.600112.5D204 M205 D208 P209 K214 K215 I216D204-E212 HydrophobicContact CB-CG 3.99Å; D204-E212 WeakPolarHBondContact O-CG 3.2Å; M205-E212 HydrophobicContact CB-CB 4.39Å; M205-E212 HydrophobicContact CB-CG 4.3Å; M205-E212 HydrophobicContact CG-CB 3.85Å; M205-E212 HydrophobicContact CG-CG 3.93Å; D208-E212 PolarHBondContact O-N 3.47Å; P209-E212 PolarHBondContact O-N 2.93Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.64Å; E212-K215 WeakPolarHBondContact O-CB 3.3Å; E212-K215 PolarHBondContact O-N 3.22Å; E212-K215 VanDerWaalsContact O-N 3.09Å; E212-K215 WeakPolarHBondContact OE1-CE 3.41Å; E212-K215 IonicContact OE1-NZ 3.86Å; E212-K215 PolarHBondContact OE1-NZ 2.61Å; E212-K215 WeakPolarHBondContact OE2-CD 3.33Å; E212-K215 WeakPolarHBondContact OE2-CE 3.22Å; E212-K215 IonicContact OE2-NZ 2.71Å; E212-K215 PolarHBondContact OE2-NZ 2.92Å; E212-I216 PolarHBondContact O-N 3.31Å; E212-I216 VanDerWaalsContact O-N 3.1Å
213I98.9Very high98.5Very high2 Ų259.5 Ų59.51%0.0128%0.279CS..Hα-helixtrans-62.1-39.2174.3-69.9165.3000110.6I65 I69 P209 K215 I216 V217 L229 V232 I233I65-I213 HydrophobicContact CD1-CD1 4.35Å; I65-I213 HydrophobicContact CD1-CG1 4.07Å; I65-I213 HydrophobicContact CG1-CD1 4.37Å; I65-I213 HydrophobicContact CG1-CG1 4.3Å; I65-I213 HydrophobicContact CG2-CG1 3.92Å; I65-I213 HydrophobicContact CG2-CG2 4.41Å; I69-I213 HydrophobicContact CD1-CG2 4.2Å; P209-I213 HydrophobicContact CB-CD1 4.39Å; P209-I213 VanDerWaalsContact O-CB 3.25Å; P209-I213 WeakPolarHBondContact O-CB 3.48Å; P209-I213 WeakPolarHBondContact O-CD1 3.36Å; P209-I213 WeakPolarHBondContact O-CG1 3.3Å; P209-I213 PolarHBondContact O-N 3.06Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.21Å; I213-I216 PolarHBondContact O-N 3.44Å; I213-I216 VanDerWaalsContact O-N 3.12Å; I213-V217 HydrophobicContact CG2-CG2 4.32Å; I213-V217 WeakPolarHBondContact O-CG2 3.46Å; I213-V217 PolarHBondContact O-N 3.35Å; I213-L229 HydrophobicContact CB-CD1 4.12Å; I213-L229 HydrophobicContact CG2-CD1 3.43Å; I213-L229 VanDerWaalsContact CG2-CD1 3.43Å; I213-V232 HydrophobicContact CD1-CG1 4.14Å; I213-V232 HydrophobicContact CG2-CG1 4.09Å; I213-I233 HydrophobicContact CD1-CB 4.43Å; I213-I233 HydrophobicContact CD1-CG1 3.63Å
214K98.8Very high98.5Very high101 Ų10160.8 Ų60.844%0.43929%0.285SS..Hα-helixtrans-61.3-35173.6-78.3-176177.4-166.70112.9K210 R211 E212 K218 L229K210-K214 WeakPolarHBondContact O-CB 3.34Å; K210-K214 WeakPolarHBondContact O-CG 3.16Å; K210-K214 PolarHBondContact O-N 2.87Å; R211-K214 PolarHBondContact O-N 2.95Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 2.64Å; K214-K218 WeakPolarHBondContact O-CB 3.41Å; K214-K218 PolarHBondContact O-N 3.44Å; K214-L229 HydrophobicContact CD-CD2 4.25Å; K214-L229 HydrophobicContact CG-CD1 4.42Å; K214-L229 HydrophobicContact CG-CD2 3.97Å
215K98.9Very high98.4Very high82 Ų8262.1 Ų62.136%0.35730%0.297SS..Hα-helixtrans-64-43.6172.7-63.9176.8-171166.10111L198 L200 R211 E212 I213 K218 F219L198-K215 HydrophobicContact CD1-CB 4.49Å; L200-K215 HydrophobicContact CD2-CD 4.19Å; R211-K215 PolarHBondContact O-N 3.27Å; E212-K215 WeakPolarHBondContact O-CB 3.3Å; E212-K215 PolarHBondContact O-N 3.22Å; E212-K215 VanDerWaalsContact O-N 3.09Å; E212-K215 WeakPolarHBondContact OE1-CE 3.41Å; E212-K215 IonicContact OE1-NZ 3.86Å; E212-K215 PolarHBondContact OE1-NZ 2.61Å; E212-K215 WeakPolarHBondContact OE2-CD 3.33Å; E212-K215 WeakPolarHBondContact OE2-CE 3.22Å; E212-K215 IonicContact OE2-NZ 2.71Å; E212-K215 PolarHBondContact OE2-NZ 2.92Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.21Å; K215-K218 PolarHBondContact O-N 2.91Å; K215-F219 WeakPolarHBondContact O-CB 3.49Å; K215-F219 PolarHBondContact O-N 2.84Å
216I98.9Very high98.4Very high0 Ų066.1 Ų66.10%032%0.316CS..Hα-helixtrans-62.5-47.7176.8-63.7168.3000110.6I65 V66 I69 I135 L198 L200 E212 I213 K218 F219 L220I65-I216 HydrophobicContact CG2-CD1 3.76Å; I65-I216 HydrophobicContact CG2-CG2 4.46Å; V66-I216 HydrophobicContact CG2-CG2 4.08Å; I69-I216 HydrophobicContact CD1-CB 4.19Å; I69-I216 HydrophobicContact CD1-CG2 3.65Å; I135-I216 HydrophobicContact CD1-CG2 3.98Å; L198-I216 HydrophobicContact CD2-CG1 3.93Å; L200-I216 HydrophobicContact CD1-CD1 3.78Å; L200-I216 HydrophobicContact CD1-CG1 3.72Å; E212-I216 PolarHBondContact O-N 3.31Å; E212-I216 VanDerWaalsContact O-N 3.1Å; I213-I216 PolarHBondContact O-N 3.44Å; I213-I216 VanDerWaalsContact O-N 3.12Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 2.86Å; I216-F219 PolarHBondContact O-N 3.14Å; I216-F219 VanDerWaalsContact O-N 3.14Å; I216-L220 HydrophobicContact CG2-CD1 3.78Å; I216-L220 HydrophobicContact CG2-CG 4.09Å; I216-L220 WeakPolarHBondContact O-CB 3.41Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.25Å; I216-L220 PolarHBondContact O-N 2.98Å
217V98.8Very high98.4Very high16 Ų1669.7 Ų69.710%0.09733%0.333CS..Hα-helixtrans-54.1-49176.6169.20000111.3I69 I213 F219 L220 E221 K222 I224I69-V217 HydrophobicContact CD1-CG2 3.74Å; I69-V217 HydrophobicContact CG1-CG2 3.99Å; I69-V217 HydrophobicContact CG2-CG2 4.19Å; I213-V217 HydrophobicContact CG2-CG2 4.32Å; I213-V217 WeakPolarHBondContact O-CG2 3.46Å; I213-V217 PolarHBondContact O-N 3.35Å; V217-F219 PolarHBondContact O-N 3.1Å; V217-L220 PolarHBondContact O-N 2.93Å; V217-E221 PolarHBondContact O-N 2.94Å; V217-K222 HydrophobicContact CG1-CB 4.31Å; V217-K222 WeakPolarHBondContact CG1-O 3.43Å; V217-K222 PolarHBondContact O-N 2.94Å; V217-K222 VanDerWaalsContact O-N 3.11Å; V217-I224 HydrophobicContact CG1-CD1 4.41Å; V217-I224 HydrophobicContact CG1-CG1 4.01Å; V217-I224 HydrophobicContact CG2-CD1 3.48Å; V217-I224 VanDerWaalsContact CG2-CD1 3.48Å; V217-I224 HydrophobicContact CG2-CG1 4.01Å
218K98.8Very high98.4Very high173 Ų17366.3 Ų66.375%0.75232%0.319SS*.Hα-helixtrans-61-44.2177.8-177.7179.6177.5-177.30111.8K214 K215 I216 L220 E221K214-K218 WeakPolarHBondContact O-CB 3.41Å; K214-K218 PolarHBondContact O-N 3.44Å; K215-K218 PolarHBondContact O-N 2.91Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 2.86Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 3.03Å; K218-E221 PolarHBondContact O-N 3.42Å
219F98.8Very high98.4Very high27 Ų2763.6 Ų63.612%0.11830%0.304CS..Hα-helixtrans-65.5-36.1179.3-177.6-103.4000112.8L49 K133 I134 I135 H196 L198 K215 I216 V217 E221L49-F219 HydrophobicContact CD1-CE1 4.38Å; K133-F219 HydrophobicContact CB-CE1 3.89Å; K133-F219 HydrophobicContact CB-CZ 4.1Å; K133-F219 HydrophobicContact CD-CE1 4.46Å; K133-F219 HydrophobicContact CG-CE1 4.3Å; K133-F219 HydrophobicContact CG-CZ 4.32Å; K133-F219 PolarHBondContact NZ-O 3.38Å; I134-F219 VanDerWaalsContact O-CZ 3.32Å; I134-F219 WeakPolarHBondContact O-CZ 3.31Å; I135-F219 HydrophobicContact CD1-CD1 4.25Å; I135-F219 HydrophobicContact CD1-CE1 4.49Å; I135-F219 HydrophobicContact CG1-CD1 3.82Å; I135-F219 HydrophobicContact CG1-CE1 3.69Å; H196-F219 AromaticContact CD2-CE2 3.3Å; H196-F219 WeakPolarHBondContact CD2-CE2 3.27Å; H196-F219 AromaticContact CD2-CZ 3.77Å; H196-F219 AromaticContact NE2-CE2 3.53Å; H196-F219 WeakPolarHBondContact O-CZ 3.47Å; L198-F219 HydrophobicContact CB-CB 4.42Å; L198-F219 HydrophobicContact CB-CD1 3.92Å; L198-F219 HydrophobicContact CB-CD2 3.63Å; L198-F219 HydrophobicContact CB-CE1 3.99Å; L198-F219 HydrophobicContact CB-CE2 3.66Å; L198-F219 HydrophobicContact CB-CG 3.73Å; L198-F219 HydrophobicContact CB-CZ 3.86Å; L198-F219 HydrophobicContact CD2-CB 3.79Å; L198-F219 HydrophobicContact CD2-CD1 4.19Å; L198-F219 HydrophobicContact CD2-CG 3.94Å; L198-F219 HydrophobicContact CG-CG 4.37Å; K215-F219 WeakPolarHBondContact O-CB 3.49Å; K215-F219 PolarHBondContact O-N 2.84Å; I216-F219 PolarHBondContact O-N 3.14Å; I216-F219 VanDerWaalsContact O-N 3.14Å; V217-F219 PolarHBondContact O-N 3.1Å; F219-E221 PolarHBondContact O-N 2.93Å
220L98.5Very high98.4Very high22 Ų2265.4 Ų65.412%0.11531%0.311CS..THydrogen-bonded Turntrans-75.7-3.2173.5-63.5-177.7000113.2L49 V66 I69 I135 I216 V217 K218 K222L49-L220 HydrophobicContact CD1-CD2 3.92Å; L49-L220 HydrophobicContact CD2-CD2 3.56Å; L49-L220 HydrophobicContact CG-CD2 4.37Å; V66-L220 HydrophobicContact CG1-CD1 4.33Å; V66-L220 HydrophobicContact CG2-CD1 4.43Å; I69-L220 HydrophobicContact CB-CD1 4.36Å; I69-L220 HydrophobicContact CD1-CD1 4.44Å; I69-L220 HydrophobicContact CG2-CD1 3.96Å; I135-L220 HydrophobicContact CD1-CD2 4.38Å; I216-L220 HydrophobicContact CG2-CD1 3.78Å; I216-L220 HydrophobicContact CG2-CG 4.09Å; I216-L220 WeakPolarHBondContact O-CB 3.41Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.25Å; I216-L220 PolarHBondContact O-N 2.98Å; V217-L220 PolarHBondContact O-N 2.93Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 3.03Å; L220-K222 HydrophobicContact CB-CG 4.08Å; L220-K222 PolarHBondContact O-N 3.47Å
221E98.1Very high98.4Very high143 Ų14365.5 Ų65.567%0.66831%0.312SS*.THydrogen-bonded Turntrans54.339-176.7-64.6161.7-137.300112.1K133 V217 K218 F219K133-E221 WeakPolarHBondContact CE-OE1 3.24Å; K133-E221 IonicContact NZ-OE1 3.87Å; K133-E221 PolarHBondContact NZ-OE1 3.47Å; K133-E221 IonicContact NZ-OE2 3.2Å; V217-E221 PolarHBondContact O-N 2.94Å; K218-E221 PolarHBondContact O-N 3.42Å; F219-E221 PolarHBondContact O-N 2.93Å
222K97.9Very high98.4Very high85 Ų8561.2 Ų61.237%0.3730%0.295SS..  trans-99.5147.2176-71.7-71.1-168.5163.50110.3I69 V217 L220 I224I69-K222 HydrophobicContact CG2-CB 4.08Å; I69-K222 HydrophobicContact CG2-CG 4Å; V217-K222 HydrophobicContact CG1-CB 4.31Å; V217-K222 WeakPolarHBondContact CG1-O 3.43Å; V217-K222 PolarHBondContact O-N 2.94Å; V217-K222 VanDerWaalsContact O-N 3.11Å; L220-K222 HydrophobicContact CB-CG 4.08Å; L220-K222 PolarHBondContact O-N 3.47Å; K222-I224 HydrophobicContact CB-CG2 4.38Å
223D96.1Very high98.4Very high157 Ų15763.1 Ų63.184%0.8431%0.306SS*.  trans-109.6119.7166-170.49.8000108
224I97.6Very high98.4Very high27 Ų2770 Ų7014%0.13833%0.332CS..  trans-128.1144.1-179.269.9169.2000109.5V217 K222 V228 L229V217-I224 HydrophobicContact CG1-CD1 4.41Å; V217-I224 HydrophobicContact CG1-CG1 4.01Å; V217-I224 HydrophobicContact CG2-CD1 3.48Å; V217-I224 VanDerWaalsContact CG2-CD1 3.48Å; V217-I224 HydrophobicContact CG2-CG1 4.01Å; K222-I224 HydrophobicContact CB-CG2 4.38Å; I224-V228 HydrophobicContact CB-CB 4.13Å; I224-V228 HydrophobicContact CB-CG1 3.94Å; I224-V228 HydrophobicContact CD1-CG1 4.15Å; I224-V228 HydrophobicContact CG2-CG1 4.19Å; I224-L229 HydrophobicContact CD1-CB 3.89Å; I224-L229 HydrophobicContact CD1-CD1 4.23Å; I224-L229 HydrophobicContact CG1-CB 4.48Å
225S98.1Very high98.4Very high61 Ų6167.9 Ų67.943%0.42732%0.324SS..  trans-68.9159.9174.372.70000111.4E227 V228 L229S225-E227 PolarHBondContact O-N 3.45Å; S225-E227 PolarHBondContact OG-N 3.12Å; S225-V228 PolarHBondContact O-N 3.13Å; S225-V228 VanDerWaalsContact O-N 3.14Å; S225-V228 WeakPolarHBondContact OG-CG2 3.26Å; S225-V228 PolarHBondContact OG-N 3.38Å; S225-L229 PolarHBondContact O-N 2.91Å
226E97.9Very high98.4Very high88 Ų8864 Ų6441%0.41131%0.307SS..Hα-helixtrans-58.9-30.6172.6-171.967.2-165.800111.7K210 N230K210-E226 WeakPolarHBondContact CE-OE1 3.2Å; K210-E226 IonicContact NZ-OE1 2.79Å; K210-E226 PolarHBondContact NZ-OE1 3.31Å; E226-N230 WeakPolarHBondContact O-CB 3.49Å; E226-N230 PolarHBondContact O-N 3.16Å; E226-N230 PolarHBondContact O-ND2 3.29Å
227E98.3Very high98.3Very high121 Ų12165.9 Ų65.957%0.56532%0.32SS*.Hα-helixtrans-64.6-48.8173.9-171.1-165.415000111.7S225 L229 N230 K231S225-E227 PolarHBondContact O-N 3.45Å; S225-E227 PolarHBondContact OG-N 3.12Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3.35Å; E227-N230 PolarHBondContact O-N 2.74Å; E227-K231 WeakPolarHBondContact O-CG 3.4Å; E227-K231 PolarHBondContact O-N 3.11Å; E227-K231 VanDerWaalsContact OE1-CE 3.25Å; E227-K231 WeakPolarHBondContact OE1-CE 3.4Å; E227-K231 IonicContact OE1-NZ 3.91Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å
228V98.4Very high98.3Very high19 Ų1967 Ų6712%0.11532%0.324CS..Hα-helixtrans-62.1-43.1177.1172.50000110.2D72 I224 S225 N230 K231 V232D72-V228 WeakPolarHBondContact O-CG2 3.32Å; I224-V228 HydrophobicContact CB-CB 4.13Å; I224-V228 HydrophobicContact CB-CG1 3.94Å; I224-V228 HydrophobicContact CD1-CG1 4.15Å; I224-V228 HydrophobicContact CG2-CG1 4.19Å; S225-V228 PolarHBondContact O-N 3.13Å; S225-V228 VanDerWaalsContact O-N 3.14Å; S225-V228 WeakPolarHBondContact OG-CG2 3.26Å; S225-V228 PolarHBondContact OG-N 3.38Å; V228-N230 VanDerWaalsContact C-N 3.33Å; V228-N230 PolarHBondContact O-N 3.15Å; V228-K231 WeakPolarHBondContact O-CB 3.22Å; V228-K231 PolarHBondContact O-N 2.96Å; V228-K231 VanDerWaalsContact O-N 3.14Å; V228-V232 HydrophobicContact CG1-CG2 4.33Å; V228-V232 VanDerWaalsContact O-CG2 3.24Å; V228-V232 WeakPolarHBondContact O-CG2 3.49Å; V228-V232 PolarHBondContact O-N 2.83Å
229L98.7Very high98.3Very high4 Ų464.6 Ų64.62%0.02132%0.319CS..Hα-helixtrans-56.6-46.5175.9177.261.5000111.9K210 I213 K214 I224 S225 E227 K231 V232 I233K210-L229 HydrophobicContact CG-CD2 4.06Å; I213-L229 HydrophobicContact CB-CD1 4.12Å; I213-L229 HydrophobicContact CG2-CD1 3.43Å; I213-L229 VanDerWaalsContact CG2-CD1 3.43Å; K214-L229 HydrophobicContact CD-CD2 4.25Å; K214-L229 HydrophobicContact CG-CD1 4.42Å; K214-L229 HydrophobicContact CG-CD2 3.97Å; I224-L229 HydrophobicContact CD1-CB 3.89Å; I224-L229 HydrophobicContact CD1-CD1 4.23Å; I224-L229 HydrophobicContact CG1-CB 4.48Å; S225-L229 PolarHBondContact O-N 2.91Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3.35Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.04Å; L229-V232 PolarHBondContact O-N 3.28Å; L229-I233 HydrophobicContact CD1-CD1 4.19Å; L229-I233 HydrophobicContact CD1-CG1 4.49Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 WeakPolarHBondContact O-CG1 3.39Å; L229-I233 PolarHBondContact O-N 3.36Å
230N98.6Very high98.3Very high78 Ų7865 Ų6542%0.41732%0.324SS..Hα-helixtrans-65.2-36177.9-70.2-31.3000112.2E226 E227 V228 I233 Y234E226-N230 WeakPolarHBondContact O-CB 3.49Å; E226-N230 PolarHBondContact O-N 3.16Å; E226-N230 PolarHBondContact O-ND2 3.29Å; E227-N230 PolarHBondContact O-N 2.74Å; V228-N230 VanDerWaalsContact C-N 3.33Å; V228-N230 PolarHBondContact O-N 3.15Å; N230-I233 PolarHBondContact O-N 3.21Å; N230-Y234 WeakPolarHBondContact O-CB 3.25Å; N230-Y234 PolarHBondContact O-N 3.45Å
231K98.5Very high98.3Very high77 Ų7764.2 Ų64.234%0.33532%0.32SS..Hα-helixtrans-62.1-46.1171.5-72.7176.4-174.2165.60111.6M68 E227 V228 L229 I233 Y234 H235M68-K231 HydrophobicContact CE-CB 4.43Å; E227-K231 WeakPolarHBondContact O-CG 3.4Å; E227-K231 PolarHBondContact O-N 3.11Å; E227-K231 VanDerWaalsContact OE1-CE 3.25Å; E227-K231 WeakPolarHBondContact OE1-CE 3.4Å; E227-K231 IonicContact OE1-NZ 3.91Å; E227-K231 PolarHBondContact OE1-NZ 2.94Å; V228-K231 WeakPolarHBondContact O-CB 3.22Å; V228-K231 PolarHBondContact O-N 2.96Å; V228-K231 VanDerWaalsContact O-N 3.14Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.04Å; K231-I233 PolarHBondContact O-N 3.06Å; K231-Y234 PolarHBondContact O-N 2.99Å; K231-H235 WeakPolarHBondContact O-CB 3.41Å; K231-H235 PolarHBondContact O-CD2 2.99Å; K231-H235 VanDerWaalsContact O-CD2 3.25Å; K231-H235 PolarHBondContact O-N 3.02Å
232V98.8Very high98.3Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-58.5-49.2177.1-178.40000110I65 M68 I69 I213 V228 L229 Y234 T236I65-V232 HydrophobicContact CG2-CG1 4.17Å; M68-V232 HydrophobicContact CB-CB 4.39Å; M68-V232 HydrophobicContact CB-CG1 4.08Å; M68-V232 HydrophobicContact CB-CG2 3.87Å; I69-V232 HydrophobicContact CG1-CG1 4.31Å; I69-V232 HydrophobicContact CG1-CG2 4.23Å; I213-V232 HydrophobicContact CD1-CG1 4.14Å; I213-V232 HydrophobicContact CG2-CG1 4.09Å; V228-V232 HydrophobicContact CG1-CG2 4.33Å; V228-V232 VanDerWaalsContact O-CG2 3.24Å; V228-V232 WeakPolarHBondContact O-CG2 3.49Å; V228-V232 PolarHBondContact O-N 2.83Å; L229-V232 PolarHBondContact O-N 3.28Å; V232-Y234 PolarHBondContact O-N 3.11Å; V232-T236 HydrophobicContact CG1-CG2 4.16Å; V232-T236 VanDerWaalsContact O-CB 3.28Å; V232-T236 WeakPolarHBondContact O-CB 3.25Å; V232-T236 VanDerWaalsContact O-CG2 3.22Å; V232-T236 WeakPolarHBondContact O-CG2 3.33Å; V232-T236 PolarHBondContact O-N 2.98Å; V232-T236 PolarHBondContact O-OG1 3.29Å
233I98.7Very high98.3Very high43 Ų4364.1 Ų64.122%0.22132%0.32CS..Hα-helixtrans-56.9-49.4178.7-67.7160.5000111.3K210 I213 L229 N230 K231 S237K210-I233 HydrophobicContact CB-CD1 3.74Å; K210-I233 HydrophobicContact CD-CD1 4.36Å; K210-I233 HydrophobicContact CG-CD1 3.87Å; I213-I233 HydrophobicContact CD1-CB 4.43Å; I213-I233 HydrophobicContact CD1-CG1 3.63Å; L229-I233 HydrophobicContact CD1-CD1 4.19Å; L229-I233 HydrophobicContact CD1-CG1 4.49Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 WeakPolarHBondContact O-CG1 3.39Å; L229-I233 PolarHBondContact O-N 3.36Å; N230-I233 PolarHBondContact O-N 3.21Å; K231-I233 PolarHBondContact O-N 3.06Å; I233-S237 PolarHBondContact O-N 3.21Å
234Y98.8Very high98.4Very high145 Ų14557.9 Ų57.957%0.56929%0.286SS*.Hα-helixtrans-64.7-52.5-177.9174.6-102.9000112.2N230 K231 V232 T236 S237 V240N230-Y234 WeakPolarHBondContact O-CB 3.25Å; N230-Y234 PolarHBondContact O-N 3.45Å; K231-Y234 PolarHBondContact O-N 2.99Å; V232-Y234 PolarHBondContact O-N 3.11Å; Y234-T236 VanDerWaalsContact C-N 3.26Å; Y234-T236 PolarHBondContact O-N 3.43Å; Y234-S237 VanDerWaalsContact O-CB 3.27Å; Y234-S237 WeakPolarHBondContact O-CB 3.26Å; Y234-S237 PolarHBondContact O-N 2.85Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; Y234-S237 PolarHBondContact O-OG 3.11Å; Y234-V240 HydrophobicContact CE1-CG2 4.19Å; Y234-V240 HydrophobicContact CE2-CG2 4.07Å; Y234-V240 WeakPolarHBondContact O-CG2 3.4Å
235H98.6Very high98.4Very high57 Ų5759.5 Ų59.526%0.26430%0.299SS..Hα-helixtrans-72-20.7-174.1-75.1-69.5000113.8M68 K231M68-H235 HydrophobicContact CE-CB 3.97Å; K231-H235 WeakPolarHBondContact O-CB 3.41Å; K231-H235 PolarHBondContact O-CD2 2.99Å; K231-H235 VanDerWaalsContact O-CD2 3.25Å; K231-H235 PolarHBondContact O-N 3.02Å
236T98.7Very high98.4Very high1 Ų158.5 Ų58.51%0.00629%0.287CS..THydrogen-bonded Turntrans-96.73.8174.566.50000112.5W61 E64 I65 M68 V232 Y234 M241W61-T236 PolarHBondContact NE1-O 3.38Å; E64-T236 HydrophobicContact CB-CG2 4Å; I65-T236 HydrophobicContact CB-CG2 4.33Å; I65-T236 HydrophobicContact CG1-CG2 3.64Å; M68-T236 HydrophobicContact CG-CG2 4.34Å; V232-T236 HydrophobicContact CG1-CG2 4.16Å; V232-T236 VanDerWaalsContact O-CB 3.28Å; V232-T236 WeakPolarHBondContact O-CB 3.25Å; V232-T236 VanDerWaalsContact O-CG2 3.22Å; V232-T236 WeakPolarHBondContact O-CG2 3.33Å; V232-T236 PolarHBondContact O-N 2.98Å; V232-T236 PolarHBondContact O-OG1 3.29Å; Y234-T236 VanDerWaalsContact C-N 3.26Å; Y234-T236 PolarHBondContact O-N 3.43Å; T236-M241 VanDerWaalsContact O-SD 3.35Å
237S98.6Very high98.3Very high40 Ų4054.3 Ų54.328%0.2827%0.268SS..SBendtrans-63.2150.2171.670.40000110.8I233 Y234 D239 V240 M241I233-S237 PolarHBondContact O-N 3.21Å; Y234-S237 VanDerWaalsContact O-CB 3.27Å; Y234-S237 WeakPolarHBondContact O-CB 3.26Å; Y234-S237 PolarHBondContact O-N 2.85Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; Y234-S237 PolarHBondContact O-OG 3.11Å; S237-D239 VanDerWaalsContact C-N 3.33Å; S237-D239 PolarHBondContact O-N 3.37Å; S237-V240 PolarHBondContact O-N 3.45Å; S237-V240 VanDerWaalsContact OG-CG2 3.24Å; S237-V240 WeakPolarHBondContact OG-CG2 3.43Å; S237-M241 WeakPolarHBondContact O-CB 3.4Å; S237-M241 WeakPolarHBondContact O-CG 3.26Å; S237-M241 PolarHBondContact O-N 3.38Å
238F98.4Very high98.3Very high40 Ų4049.3 Ų49.318%0.17525%0.245CC..Hα-helixtrans-56.6-46-175.2176.2-100000112.5V240 M241 K242 M265F238-V240 VanDerWaalsContact C-N 3.35Å; F238-V240 PolarHBondContact O-N 3.33Å; F238-M241 PolarHBondContact O-N 3.23Å; F238-K242 HydrophobicContact CE1-CD 3.92Å; F238-K242 HydrophobicContact CZ-CD 4.09Å; F238-K242 VanDerWaalsContact O-CB 3.25Å; F238-K242 WeakPolarHBondContact O-CB 3.42Å; F238-K242 PolarHBondContact O-N 3.13Å; F238-M265 HydrophobicContact CE2-CB 4.11Å; F238-M265 HydrophobicContact CE2-SD 4.45Å; F238-M265 HydrophobicContact CZ-CB 4.33Å
239D98.4Very high98.3Very high121 Ų12149 Ų4965%0.64724%0.242SC*.Hα-helixtrans-65.8-38.1-177-65.2-39.1000112.1S237S237-D239 VanDerWaalsContact C-N 3.33Å; S237-D239 PolarHBondContact O-N 3.37Å
240V98.4Very high98.2Very high37 Ų3752.3 Ų52.322%0.22426%0.262CS..Hα-helixtrans-70.1-46.3176.3178.80000110.7Y234 S237 F238 K242 Q243 N244Y234-V240 HydrophobicContact CE1-CG2 4.19Å; Y234-V240 HydrophobicContact CE2-CG2 4.07Å; Y234-V240 WeakPolarHBondContact O-CG2 3.4Å; S237-V240 PolarHBondContact O-N 3.45Å; S237-V240 VanDerWaalsContact OG-CG2 3.24Å; S237-V240 WeakPolarHBondContact OG-CG2 3.43Å; F238-V240 VanDerWaalsContact C-N 3.35Å; F238-V240 PolarHBondContact O-N 3.33Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.31Å; V240-Q243 PolarHBondContact O-N 3.18Å; V240-N244 PolarHBondContact O-N 2.62Å
241M98.5Very high98Very high4 Ų450.9 Ų50.92%0.0226%0.257CS..Hα-helixtrans-64-33.5178.2-74-172.35800112.9T60 W61 E64 T236 S237 F238 Q243 N244 A247 M265T60-M241 HydrophobicContact CG2-CE 3.96Å; W61-M241 HydrophobicContact CG-SD 4.45Å; E64-M241 HydrophobicContact CB-CE 3.97Å; E64-M241 HydrophobicContact CB-SD 4.05Å; E64-M241 HydrophobicContact CG-CE 3.33Å; E64-M241 HydrophobicContact CG-SD 4Å; T236-M241 VanDerWaalsContact O-SD 3.35Å; S237-M241 WeakPolarHBondContact O-CB 3.4Å; S237-M241 WeakPolarHBondContact O-CG 3.26Å; S237-M241 PolarHBondContact O-N 3.38Å; F238-M241 PolarHBondContact O-N 3.23Å; M241-Q243 PolarHBondContact O-N 3.06Å; M241-N244 PolarHBondContact O-N 2.81Å; M241-N244 VanDerWaalsContact O-N 3.11Å; M241-A247 HydrophobicContact CE-CB 4.12Å; M241-M265 HydrophobicContact CB-CE 4.21Å; M241-M265 HydrophobicContact CE-CE 3.74Å
242K98.3Very high97.7Very high76 Ų7648 Ų4833%0.3325%0.245SC..Hα-helixtrans-59.7-34.7175.8-176.6169-176.7175.60112.4F238 V240 N248 M265F238-K242 HydrophobicContact CE1-CD 3.92Å; F238-K242 HydrophobicContact CZ-CD 4.09Å; F238-K242 VanDerWaalsContact O-CB 3.25Å; F238-K242 WeakPolarHBondContact O-CB 3.42Å; F238-K242 PolarHBondContact O-N 3.13Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.31Å; K242-N248 PolarHBondContact O-ND2 2.94Å; K242-M265 HydrophobicContact CB-CB 3.96Å; K242-M265 HydrophobicContact CB-CG 4.44Å; K242-M265 HydrophobicContact CD-CB 4.41Å; K242-M265 WeakPolarHBondContact CE-O 3.34Å; K242-M265 HydrophobicContact CG-CB 3.83Å
243Q98Very high97.4Very high151 Ų15149.6 Ų49.671%0.70626%0.255SS*.Hα-helixtrans-88.2-9177.5-57.1-57.9-26.800113.5V240 M241 P245V240-Q243 PolarHBondContact O-N 3.18Å; M241-Q243 PolarHBondContact O-N 3.06Å; Q243-P245 VanDerWaalsContact O-CD 3.24Å; Q243-P245 WeakPolarHBondContact O-CD 3.09Å
244N97.9Very high97.1Very high25 Ų2551.5 Ų51.513%0.13427%0.273CS..  trans-84.7108.8-178.7-178.95.5000111.1V240 M241 M246 A247 N248V240-N244 PolarHBondContact O-N 2.62Å; M241-N244 PolarHBondContact O-N 2.81Å; M241-N244 VanDerWaalsContact O-N 3.11Å; N244-M246 PolarHBondContact O-N 3.38Å; N244-M246 VanDerWaalsContact O-N 3.12Å; N244-M246 WeakPolarHBondContact OD1-CB 3.38Å; N244-M246 PolarHBondContact OD1-N 2.82Å; N244-A247 HydrophobicContact CB-CB 4.28Å; N244-A247 PolarHBondContact O-N 2.94Å; N244-N248 WeakPolarHBondContact O-CB 3.41Å; N244-N248 PolarHBondContact O-N 3.5Å; N244-N248 PolarHBondContact O-ND2 3.41Å; N244-N248 PolarHBondContact O-OD1 3.48Å
245P97.3Very high96.7Very high62 Ų6248.3 Ų48.340%0.40327%0.271SS..THydrogen-bonded Turntrans-62.1-23.518026.9-35.1000113Q243 A247 N248 T251Q243-P245 VanDerWaalsContact O-CD 3.24Å; Q243-P245 WeakPolarHBondContact O-CD 3.09Å; P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.36Å; P245-N248 WeakPolarHBondContact CA-OD1 3.48Å; P245-N248 PolarHBondContact O-OD1 2.98Å; P245-T251 HydrophobicContact CB-CG2 4.39Å
246M98Very high96.4Very high39 Ų3946 Ų4619%0.19226%0.261CS..THydrogen-bonded Turntrans-78.1-9.1178.2-59.3-61.596.200113Q79 A81 N82 T83 R86 N244 T251Q79-M246 HydrophobicContact CB-CG 4.29Å; Q79-M246 HydrophobicContact CG-CG 4.4Å; A81-M246 VanDerWaalsContact C-SD 3.57Å; N82-M246 CarbonylContact C-O 3.59Å; T83-M246 WeakPolarHBondContact CB-O 3.44Å; T83-M246 PolarHBondContact N-O 3.48Å; R86-M246 PolarHBondContact NH2-O 3.48Å; N244-M246 PolarHBondContact O-N 3.38Å; N244-M246 VanDerWaalsContact O-N 3.12Å; N244-M246 WeakPolarHBondContact OD1-CB 3.38Å; N244-M246 PolarHBondContact OD1-N 2.82Å; M246-T251 HydrophobicContact CE-CG2 4Å
247A97.4Very high96.2Very high0 Ų046.2 Ų46.20%026%0.262CS..THydrogen-bonded Turntrans-126.9-24.1-178.600000113.8T60 E64 M241 N244 P245 Y249 M265T60-A247 HydrophobicContact CG2-CB 4.48Å; T60-A247 WeakPolarHBondContact CG2-O 3.36Å; E64-A247 HydrophobicContact CG-CB 3.91Å; M241-A247 HydrophobicContact CE-CB 4.12Å; N244-A247 HydrophobicContact CB-CB 4.28Å; N244-A247 PolarHBondContact O-N 2.94Å; P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.36Å; A247-Y249 VanDerWaalsContact C-N 3.34Å; A247-Y249 WeakPolarHBondContact O-CD2 3.32Å; A247-Y249 PolarHBondContact O-N 3.37Å; A247-M265 HydrophobicContact CB-CE 4.49Å; A247-M265 VanDerWaalsContact O-CE 3.25Å; A247-M265 WeakPolarHBondContact O-CE 3.39Å
248N97.8Very high96.2Very high16 Ų1646.1 Ų46.19%0.08626%0.258CS..SBendtrans-86.41.5-173.471.75.7000114.7K242 N244 P245 T250 H259 M265K242-N248 PolarHBondContact O-ND2 2.94Å; N244-N248 WeakPolarHBondContact O-CB 3.41Å; N244-N248 PolarHBondContact O-N 3.5Å; N244-N248 PolarHBondContact O-ND2 3.41Å; N244-N248 PolarHBondContact O-OD1 3.48Å; P245-N248 WeakPolarHBondContact CA-OD1 3.48Å; P245-N248 PolarHBondContact O-OD1 2.98Å; N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.49Å; N248-T250 WeakPolarHBondContact OD1-CG2 3.06Å; N248-T250 PolarHBondContact OD1-N 3.02Å; N248-T250 PolarHBondContact OD1-OG1 3.23Å; N248-H259 PolarHBondContact O-CE1 3.45Å; N248-H259 VanDerWaalsContact O-CE1 3.28Å; N248-M265 HydrophobicContact CB-CG 3.85Å
249Y97.3Very high96.1Very high12 Ų1246.3 Ų46.35%0.04726%0.259CS..SBendtrans64.514179.4-71.6-102.7000115.9T60 T83 F84 A247 T251 L252 M257 H259 F264T60-Y249 HydrophobicContact CG2-CE2 4.07Å; T83-Y249 HydrophobicContact CG2-CD2 4.41Å; T83-Y249 HydrophobicContact CG2-CE2 3.6Å; F84-Y249 HydrophobicContact CB-CE1 4.35Å; F84-Y249 AromaticContact CD1-CD1 3.78Å; F84-Y249 HydrophobicContact CD1-CD1 3.78Å; F84-Y249 AromaticContact CD1-CE1 3.53Å; F84-Y249 HydrophobicContact CD1-CE1 3.53Å; F84-Y249 HydrophobicContact CE1-CD1 4.08Å; F84-Y249 HydrophobicContact CE1-CE1 4.29Å; F84-Y249 HydrophobicContact CG-CE1 4.35Å; A247-Y249 VanDerWaalsContact C-N 3.34Å; A247-Y249 WeakPolarHBondContact O-CD2 3.32Å; A247-Y249 PolarHBondContact O-N 3.37Å; Y249-T251 PolarHBondContact O-N 3.07Å; Y249-L252 HydrophobicContact CD1-CD1 3.72Å; Y249-L252 HydrophobicContact CE1-CD1 4.49Å; Y249-L252 PolarHBondContact O-N 2.83Å; Y249-M257 HydrophobicContact CD1-CE 3.96Å; Y249-M257 HydrophobicContact CD1-SD 4.01Å; Y249-M257 HydrophobicContact CE1-CE 4.33Å; Y249-M257 HydrophobicContact CG-SD 4.29Å; Y249-H259 PolarHBondContact O-NE2 3.25Å; Y249-F264 AromaticContact CD2-CD1 3.58Å; Y249-F264 HydrophobicContact CD2-CD1 3.58Å; Y249-F264 HydrophobicContact CD2-CD2 4.01Å; Y249-F264 AromaticContact CD2-CE1 3.43Å; Y249-F264 HydrophobicContact CD2-CE1 3.43Å; Y249-F264 VanDerWaalsContact CD2-CE1 3.43Å; Y249-F264 AromaticContact CD2-CE2 3.86Å; Y249-F264 HydrophobicContact CD2-CE2 3.86Å; Y249-F264 AromaticContact CD2-CG 3.88Å; Y249-F264 HydrophobicContact CD2-CG 3.88Å; Y249-F264 AromaticContact CD2-CZ 3.57Å; Y249-F264 HydrophobicContact CD2-CZ 3.57Å; Y249-F264 HydrophobicContact CE2-CD1 4.2Å; Y249-F264 AromaticContact CE2-CE1 3.54Å; Y249-F264 HydrophobicContact CE2-CE1 3.54Å; Y249-F264 AromaticContact CE2-CE2 3.92Å; Y249-F264 HydrophobicContact CE2-CE2 3.92Å; Y249-F264 AromaticContact CE2-CZ 3.38Å; Y249-F264 HydrophobicContact CE2-CZ 3.38Å; Y249-F264 HydrophobicContact CG-CD1 4.36Å; Y249-F264 HydrophobicContact CG-CD2 4.18Å; Y249-F264 HydrophobicContact CG-CE1 4.47Å; Y249-F264 HydrophobicContact CG-CE2 4.29Å; Y249-F264 HydrophobicContact CG-CG 4.22Å; Y249-F264 HydrophobicContact CG-CZ 4.43Å
250T96.9Very high96.1Very high74 Ų7445.6 Ų45.645%0.45426%0.264SS..THydrogen-bonded Turntrans-74.1-8.7178.760.40000113.8N248 L252N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.49Å; N248-T250 WeakPolarHBondContact OD1-CG2 3.06Å; N248-T250 PolarHBondContact OD1-N 3.02Å; N248-T250 PolarHBondContact OD1-OG1 3.23Å; T250-L252 VanDerWaalsContact C-N 3.32Å
251T94.7Very high96.1Very high49 Ų4946.5 Ų46.530%0.30127%0.267SS..THydrogen-bonded Turntrans-80-13.9175.5560000113.2N82 P245 M246 Y249N82-T251 WeakPolarHBondContact OD1-CB 3.13Å; N82-T251 WeakPolarHBondContact OD1-CG2 3.25Å; N82-T251 PolarHBondContact OD1-OG1 3.5Å; P245-T251 HydrophobicContact CB-CG2 4.39Å; M246-T251 HydrophobicContact CE-CG2 4Å; Y249-T251 PolarHBondContact O-N 3.07Å
252L92.2Very high96Very high15 Ų1546.7 Ų46.78%0.07927%0.269CS..SBendtrans-74.7144.3172.2-70179.3000111F84 W92 Y249 T250 I256 M257F84-L252 HydrophobicContact CE1-CD1 4.41Å; F84-L252 HydrophobicContact CE1-CD2 4.04Å; F84-L252 HydrophobicContact CE1-CG 3.96Å; F84-L252 HydrophobicContact CE2-CD2 4.25Å; F84-L252 HydrophobicContact CZ-CD2 3.69Å; F84-L252 HydrophobicContact CZ-CG 4.08Å; W92-L252 HydrophobicContact CH2-CD1 3.97Å; W92-L252 HydrophobicContact CH2-CD2 4.31Å; W92-L252 HydrophobicContact CZ2-CD1 4.37Å; Y249-L252 HydrophobicContact CD1-CD1 3.72Å; Y249-L252 HydrophobicContact CE1-CD1 4.49Å; Y249-L252 PolarHBondContact O-N 2.83Å; T250-L252 VanDerWaalsContact C-N 3.32Å; L252-I256 HydrophobicContact CD1-CG2 4.3Å; L252-M257 HydrophobicContact CD1-CE 3.82Å; L252-M257 HydrophobicContact CD1-CG 4.09Å; L252-M257 HydrophobicContact CD1-SD 3.79Å
253P92.1Very high96Very high35 Ų3545.8 Ų45.823%0.22727%0.27CS..  trans-58149.5172-23.733.7000112.8I6 S255 I256 M257I6-P253 HydrophobicContact CG2-CG 4.4Å; P253-S255 WeakPolarHBondContact CB-OG 3.46Å; P253-S255 PolarHBondContact O-N 2.83Å; P253-I256 PolarHBondContact O-N 3.21Å; P253-M257 PolarHBondContact O-N 3.21Å
254S93.3Very high96Very high83 Ų8340.2 Ų40.258%0.5824%0.244SC*.THydrogen-bonded Turntrans-62-24.9174.453.40000113.2I256S254-I256 PolarHBondContact O-N 3.48Å
255S90.8Very high96.1Very high78 Ų7840 Ų4055%0.54524%0.242SC..THydrogen-bonded Turntrans-65.3-13.4171.557.80000113.7K156 P253K156-S255 WeakPolarHBondContact CB-O 3.33Å; P253-S255 WeakPolarHBondContact CB-OG 3.46Å; P253-S255 PolarHBondContact O-N 2.83Å
256I91.4Very high96.1Very high8 Ų838.6 Ų38.64%0.04123%0.229CC..THydrogen-bonded Turntrans-108.9-53.6173-57.8-177.4000109.7L94 L98 N155 K156 M157 L252 P253 S254L94-I256 HydrophobicContact CD2-CD1 4.4Å; L98-I256 HydrophobicContact CD1-CD1 3.36Å; N155-I256 CarbonylContact C-O 3.6Å; N155-I256 WeakPolarHBondContact CA-O 3.14Å; N155-I256 PolarHBondContact OD1-O 2.84Å; N155-I256 VanDerWaalsContact OD1-O 3.13Å; K156-I256 PolarHBondContact N-O 3.26Å; M157-I256 HydrophobicContact CG-CG2 3.77Å; M157-I256 HydrophobicContact SD-CG2 4.48Å; L252-I256 HydrophobicContact CD1-CG2 4.3Å; P253-I256 PolarHBondContact O-N 3.21Å; S254-I256 PolarHBondContact O-N 3.48Å
257M95.2Very high96Very high6 Ų640.9 Ų40.93%0.0324%0.238CC..BIsolated β-bridgetrans-133.1105.4-179.2-74.5-165.3-165.600110.8F151 M154 N155 Y249 L252 P253 H259 F264F151-M257 HydrophobicContact CE2-CE 3.87Å; F151-M257 HydrophobicContact CE2-SD 4.34Å; F151-M257 HydrophobicContact CZ-CE 4.11Å; M154-M257 HydrophobicContact CE-CB 3.73Å; M154-M257 HydrophobicContact CE-CG 4.19Å; M154-M257 HydrophobicContact CE-SD 4.3Å; M154-M257 CarbonylContact O-C 3.53Å; M154-M257 WeakPolarHBondContact O-CA 3.28Å; M154-M257 HydrophobicContact SD-CB 4.12Å; M154-M257 HydrophobicContact SD-CG 4.01Å; M154-M257 HydrophobicContact SD-SD 4.2Å; N155-M257 HydrophobicContact CB-CG 4.35Å; Y249-M257 HydrophobicContact CD1-CE 3.96Å; Y249-M257 HydrophobicContact CD1-SD 4.01Å; Y249-M257 HydrophobicContact CE1-CE 4.33Å; Y249-M257 HydrophobicContact CG-SD 4.29Å; L252-M257 HydrophobicContact CD1-CE 3.82Å; L252-M257 HydrophobicContact CD1-CG 4.09Å; L252-M257 HydrophobicContact CD1-SD 3.79Å; P253-M257 PolarHBondContact O-N 3.21Å; M257-H259 PolarHBondContact O-CD2 3.37Å; M257-H259 VanDerWaalsContact O-CD2 3.32Å; M257-H259 PolarHBondContact O-N 3.48Å; M257-F264 HydrophobicContact SD-CD2 4.32Å
258D97.4Very high95.9Very high37 Ų3741.5 Ų41.520%0.19824%0.244CC..  trans-89.991.4178.5-173.9-5.8000111.1M154 S260 I261M154-D258 WeakPolarHBondContact CB-O 3.38Å; M154-D258 PolarHBondContact O-N 3.38Å; D258-S260 PolarHBondContact O-N 3.25Å; D258-S260 VanDerWaalsContact O-N 3.14Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.34Å; D258-S260 PolarHBondContact OD1-N 3.16Å; D258-S260 PolarHBondContact OD1-OG 3.13Å; D258-S260 PolarHBondContact OD2-OG 3.31Å; D258-I261 HydrophobicContact CB-CD1 4.02Å; D258-I261 HydrophobicContact CB-CG1 4.29Å; D258-I261 PolarHBondContact O-N 3.23Å; D258-I261 VanDerWaalsContact O-N 3.14Å; D258-I261 WeakPolarHBondContact OD2-CD1 3.41Å
259H97.6Very high95.6Very high44 Ų4445 Ų4520%0.20426%0.261CS..THydrogen-bonded Turntrans-65.8-12.1-179.6-68.4-100.4000113.9N248 Y249 M257 I261 S262 F264N248-H259 PolarHBondContact O-CE1 3.45Å; N248-H259 VanDerWaalsContact O-CE1 3.28Å; Y249-H259 PolarHBondContact O-NE2 3.25Å; M257-H259 PolarHBondContact O-CD2 3.37Å; M257-H259 VanDerWaalsContact O-CD2 3.32Å; M257-H259 PolarHBondContact O-N 3.48Å; H259-I261 VanDerWaalsContact C-N 3.32Å; H259-S262 CarbonylContact O-C 3.45Å; H259-F264 PolarHBondContact ND1-N 3.42Å
260S97.6Very high95.6Very high106 Ų10645.1 Ų45.174%0.74126%0.264SS*.THydrogen-bonded Turntrans-71.6-28.5173.878.50000112.3D258D258-S260 PolarHBondContact O-N 3.25Å; D258-S260 VanDerWaalsContact O-N 3.14Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.34Å; D258-S260 PolarHBondContact OD1-N 3.16Å; D258-S260 PolarHBondContact OD1-OG 3.13Å; D258-S260 PolarHBondContact OD2-OG 3.31Å
261I97.8Very high95.7Very high56 Ų5642.3 Ų42.329%0.28725%0.249SC..THydrogen-bonded Turntrans-76-47.7175.3-63.1174.7000110.4R153 M154 K156 D258 H259R153-I261 HydrophobicContact CB-CG2 3.9Å; M154-I261 HydrophobicContact CB-CB 4.27Å; M154-I261 HydrophobicContact CB-CG2 4.45Å; K156-I261 VanDerWaalsContact NZ-CD1 3.31Å; D258-I261 HydrophobicContact CB-CD1 4.02Å; D258-I261 HydrophobicContact CB-CG1 4.29Å; D258-I261 PolarHBondContact O-N 3.23Å; D258-I261 VanDerWaalsContact O-N 3.14Å; D258-I261 WeakPolarHBondContact OD2-CD1 3.41Å; H259-I261 VanDerWaalsContact C-N 3.32Å
262S98.1Very high95.8Very high8 Ų840.5 Ų40.56%0.05624%0.237CC..  trans-159.9129.3173.6-159.70000109.6M154 H259M154-S262 WeakPolarHBondContact CB-O 3.34Å; M154-S262 VanDerWaalsContact CE-O 3.27Å; M154-S262 WeakPolarHBondContact CE-O 3.33Å; M154-S262 WeakPolarHBondContact CG-O 3.37Å; H259-S262 CarbonylContact O-C 3.45Å
263P98Very high96.1Very high57 Ų5740.9 Ų40.937%0.3724%0.238SC..  trans-69.4143.7176.327.8-33.6000110.8M265P263-M265 VanDerWaalsContact C-N 3.31Å; P263-M265 PolarHBondContact O-N 2.71Å
264F98.4Very high96.4Very high35 Ų3543.9 Ų43.915%0.15425%0.247CC..SBendtrans-58-45175.5-178.4-90.1000111.8T60 F151 M154 Y249 M257 H259 R266T60-F264 HydrophobicContact CG2-CE1 4.3Å; T60-F264 WeakPolarHBondContact OG1-CZ 3.49Å; F151-F264 HydrophobicContact CD2-CD2 4.31Å; F151-F264 HydrophobicContact CD2-CE2 4.5Å; F151-F264 HydrophobicContact CE2-CD2 4.03Å; F151-F264 HydrophobicContact CE2-CE2 4.01Å; M154-F264 HydrophobicContact CE-CB 4.48Å; Y249-F264 AromaticContact CD2-CD1 3.58Å; Y249-F264 HydrophobicContact CD2-CD1 3.58Å; Y249-F264 HydrophobicContact CD2-CD2 4.01Å; Y249-F264 AromaticContact CD2-CE1 3.43Å; Y249-F264 HydrophobicContact CD2-CE1 3.43Å; Y249-F264 VanDerWaalsContact CD2-CE1 3.43Å; Y249-F264 AromaticContact CD2-CE2 3.86Å; Y249-F264 HydrophobicContact CD2-CE2 3.86Å; Y249-F264 AromaticContact CD2-CG 3.88Å; Y249-F264 HydrophobicContact CD2-CG 3.88Å; Y249-F264 AromaticContact CD2-CZ 3.57Å; Y249-F264 HydrophobicContact CD2-CZ 3.57Å; Y249-F264 HydrophobicContact CE2-CD1 4.2Å; Y249-F264 AromaticContact CE2-CE1 3.54Å; Y249-F264 HydrophobicContact CE2-CE1 3.54Å; Y249-F264 AromaticContact CE2-CE2 3.92Å; Y249-F264 HydrophobicContact CE2-CE2 3.92Å; Y249-F264 AromaticContact CE2-CZ 3.38Å; Y249-F264 HydrophobicContact CE2-CZ 3.38Å; Y249-F264 HydrophobicContact CG-CD1 4.36Å; Y249-F264 HydrophobicContact CG-CD2 4.18Å; Y249-F264 HydrophobicContact CG-CE1 4.47Å; Y249-F264 HydrophobicContact CG-CE2 4.29Å; Y249-F264 HydrophobicContact CG-CG 4.22Å; Y249-F264 HydrophobicContact CG-CZ 4.43Å; M257-F264 HydrophobicContact SD-CD2 4.32Å; H259-F264 PolarHBondContact ND1-N 3.42Å; F264-R266 VanDerWaalsContact C-N 3.34Å; F264-R266 PolarHBondContact O-N 2.99Å; F264-R266 VanDerWaalsContact O-N 3.13Å
265M98.3Very high96.6Very high19 Ų1945.4 Ų45.49%0.09425%0.249CC..SBendtrans-8475.1171.9-64.5-65.6-176.800110.1T60 F238 M241 K242 A247 N248 P263T60-M265 HydrophobicContact CG2-CE 3.93Å; F238-M265 HydrophobicContact CE2-CB 4.11Å; F238-M265 HydrophobicContact CE2-SD 4.45Å; F238-M265 HydrophobicContact CZ-CB 4.33Å; M241-M265 HydrophobicContact CB-CE 4.21Å; M241-M265 HydrophobicContact CE-CE 3.74Å; K242-M265 HydrophobicContact CB-CB 3.96Å; K242-M265 HydrophobicContact CB-CG 4.44Å; K242-M265 HydrophobicContact CD-CB 4.41Å; K242-M265 WeakPolarHBondContact CE-O 3.34Å; K242-M265 HydrophobicContact CG-CB 3.83Å; A247-M265 HydrophobicContact CB-CE 4.49Å; A247-M265 VanDerWaalsContact O-CE 3.25Å; A247-M265 WeakPolarHBondContact O-CE 3.39Å; N248-M265 HydrophobicContact CB-CG 3.85Å; P263-M265 VanDerWaalsContact C-N 3.31Å; P263-M265 PolarHBondContact O-N 2.71Å
266R98.1Very high97Very high34 Ų3444.7 Ų44.713%0.12824%0.235CC..  trans-73.3-77.6-169.3-164.1-176.964.382.48.1114.5F264 D272 Y276F264-R266 VanDerWaalsContact C-N 3.34Å; F264-R266 PolarHBondContact O-N 2.99Å; F264-R266 VanDerWaalsContact O-N 3.13Å; R266-D272 IonicContact CZ-OD2 3.15Å; R266-D272 IonicContact NH1-OD2 2.72Å; R266-D272 PolarHBondContact NH1-OD2 3Å; R266-D272 IonicContact NH2-OD2 2.67Å; R266-D272 PolarHBondContact NH2-OD2 3.13Å; R266-Y276 PolarHBondContact NH1-OH 3.01Å
267K96.8Very high97.3Very high87 Ų8745.1 Ų45.138%0.37824%0.236SC..  trans-127.4-33-178.6-64.7-156.1-162.5170.20115.3M269 D272K267-M269 VanDerWaalsContact C-N 3.34Å; K267-M269 PolarHBondContact O-N 3.48Å; K267-D272 WeakPolarHBondContact CD-OD1 3.43Å; K267-D272 WeakPolarHBondContact CD-OD2 3.49Å; K267-D272 WeakPolarHBondContact CE-OD1 3.35Å; K267-D272 WeakPolarHBondContact CE-OD2 3.24Å; K267-D272 IonicContact NZ-OD1 2.67Å; K267-D272 PolarHBondContact NZ-OD1 3.48Å; K267-D272 IonicContact NZ-OD2 3.48Å; K267-D272 PolarHBondContact NZ-OD2 3.4Å
268G93.6Very high97.5Very high13 Ų1348.3 Ų48.313%0.13426%0.256CS..  trans65.227170.300000116.7Y202 K206Y202-G268 WeakPolarHBondContact OH-CA 3.46Å; Y202-G268 PolarHBondContact OH-O 3.42Å; K206-G268 WeakPolarHBondContact CD-O 3.43Å; K206-G268 WeakPolarHBondContact CE-O 3.34Å; K206-G268 PolarHBondContact NZ-O 2.92Å
269M92.8Very high97.5Very high90 Ų9051.6 Ų51.644%0.44328%0.278SS..  trans-132146.3178.2-70.5-59.2-61.300111.4R139 K206 K267 I304R139-M269 PolarHBondContact NH2-O 3.25Å; K206-M269 WeakPolarHBondContact CE-SD 3.22Å; K206-M269 PolarHBondContact NZ-SD 3.24Å; K267-M269 VanDerWaalsContact C-N 3.34Å; K267-M269 PolarHBondContact O-N 3.48Å; M269-I304 HydrophobicContact CE-CD1 4.43Å
270P97.1Very high97.6Very high14 Ų1452.6 Ų52.69%0.09129%0.293CS..THydrogen-bonded Turntrans-68.5150.3165.5-1834.5000111.6D143 Y202 E203 K206 I304D143-P270 VanDerWaalsContact OD2-CA 3.3Å; D143-P270 WeakPolarHBondContact OD2-CA 3.28Å; Y202-P270 HydrophobicContact CD1-CG 4.23Å; Y202-P270 HydrophobicContact CE1-CG 4.1Å; E203-P270 HydrophobicContact CB-CG 4.47Å; E203-P270 HydrophobicContact CG-CB 4.03Å; E203-P270 HydrophobicContact CG-CG 4.04Å; K206-P270 HydrophobicContact CB-CG 3.97Å; K206-P270 HydrophobicContact CG-CG 4.04Å; P270-I304 HydrophobicContact CB-CG1 4.25Å; P270-I304 HydrophobicContact CG-CD1 3.83Å; P270-I304 HydrophobicContact CG-CG1 3.9Å; P270-I304 HydrophobicContact CG-CG2 4.42Å
271G97.9Very high97.6Very high14 Ų1448.9 Ų48.914%0.14426%0.264CS..THydrogen-bonded Turntrans92.5-1.5175.600000115.6D143 W273 K274 T302D143-G271 PolarHBondContact OD2-N 3.2Å; G271-W273 PolarHBondContact O-N 3.28Å; G271-K274 PolarHBondContact O-N 3.47Å; G271-T302 VanDerWaalsContact CA-O 3.24Å; G271-T302 WeakPolarHBondContact CA-O 3.28Å; G271-T302 PolarHBondContact N-O 3.29Å
272D98.1Very high97.7Very high11 Ų1147 Ų476%0.05926%0.257CS..G310 helixtrans-66.9-21.6-178.8-17247000113D143 R266 K267 K274 N275 Y276D143-D272 PolarHBondContact OD1-N 3.01Å; R266-D272 IonicContact CZ-OD2 3.15Å; R266-D272 IonicContact NH1-OD2 2.72Å; R266-D272 PolarHBondContact NH1-OD2 3Å; R266-D272 IonicContact NH2-OD2 2.67Å; R266-D272 PolarHBondContact NH2-OD2 3.13Å; K267-D272 WeakPolarHBondContact CD-OD1 3.43Å; K267-D272 WeakPolarHBondContact CD-OD2 3.49Å; K267-D272 WeakPolarHBondContact CE-OD1 3.35Å; K267-D272 WeakPolarHBondContact CE-OD2 3.24Å; K267-D272 IonicContact NZ-OD1 2.67Å; K267-D272 PolarHBondContact NZ-OD1 3.48Å; K267-D272 IonicContact NZ-OD2 3.48Å; K267-D272 PolarHBondContact NZ-OD2 3.4Å; D272-K274 PolarHBondContact O-N 2.91Å; D272-K274 VanDerWaalsContact O-N 3.11Å; D272-N275 WeakPolarHBondContact O-CB 3.39Å; D272-N275 PolarHBondContact O-N 2.67Å; D272-N275 PolarHBondContact O-ND2 2.72Å; D272-N275 PolarHBondContact OD1-ND2 3.49Å; D272-Y276 WeakPolarHBondContact O-CD2 3.32Å; D272-Y276 WeakPolarHBondContact OD2-CE2 3.47Å
273W98.4Very high97.7Very high23 Ų2352.7 Ų52.79%0.08728%0.282CS..G310 helixtrans-53.1-28.4174.270.1-90.8000114.8K142 D143 V146 G271 N275 Y276 F277 S282 T302K142-W273 HydrophobicContact CB-CB 3.69Å; K142-W273 HydrophobicContact CB-CD2 3.84Å; K142-W273 HydrophobicContact CB-CE3 4.32Å; K142-W273 HydrophobicContact CB-CG 3.54Å; K142-W273 HydrophobicContact CD-CD2 3.58Å; K142-W273 HydrophobicContact CD-CE3 3.48Å; K142-W273 VanDerWaalsContact CD-CE3 3.48Å; K142-W273 HydrophobicContact CD-CG 4.23Å; K142-W273 HydrophobicContact CD-CH2 3.94Å; K142-W273 HydrophobicContact CD-CZ2 4.03Å; K142-W273 HydrophobicContact CD-CZ3 3.67Å; K142-W273 HydrophobicContact CG-CD2 4.35Å; K142-W273 HydrophobicContact CG-CE3 4.48Å; D143-W273 PolarHBondContact OD1-N 3.3Å; V146-W273 HydrophobicContact CG2-CB 3.84Å; G271-W273 PolarHBondContact O-N 3.28Å; W273-N275 PolarHBondContact O-N 3.01Å; W273-N275 VanDerWaalsContact O-N 3.11Å; W273-Y276 PolarHBondContact O-N 3.35Å; W273-F277 HydrophobicContact CB-CD2 3.94Å; W273-F277 HydrophobicContact CB-CE2 4.03Å; W273-F277 HydrophobicContact CE3-CB 4.03Å; W273-F277 AromaticContact CE3-CD2 3.96Å; W273-F277 HydrophobicContact CE3-CD2 3.96Å; W273-F277 HydrophobicContact CE3-CG 4.03Å; W273-F277 HydrophobicContact CZ3-CB 4.34Å; W273-F277 WeakPolarHBondContact O-CD2 3.15Å; W273-F277 PolarHBondContact O-N 2.89Å; W273-S282 WeakPolarHBondContact CZ3-OG 3.49Å; W273-T302 PolarHBondContact NE1-O 3.47Å
274K98.3Very high97.7Very high98 Ų9853.6 Ų53.643%0.42628%0.284SS..G310 helixtrans-61-20.8176.4-64.5-177.4177.4-174.90113.2G271 D272 Y276 E303G271-K274 PolarHBondContact O-N 3.47Å; D272-K274 PolarHBondContact O-N 2.91Å; D272-K274 VanDerWaalsContact O-N 3.11Å; K274-Y276 VanDerWaalsContact C-N 3.31Å; K274-E303 IonicContact NZ-OE1 3.88Å; K274-E303 PolarHBondContact NZ-OE1 3Å; K274-E303 IonicContact NZ-OE2 2.61Å; K274-E303 PolarHBondContact NZ-OE2 2.93Å
275N98.1Very high97.7Very high115 Ų11552 Ų5262%0.61528%0.277SS*.G310 helixtrans-83.9-3.7177.1-63-51.6000113.8D272 W273D272-N275 WeakPolarHBondContact O-CB 3.39Å; D272-N275 PolarHBondContact O-N 2.67Å; D272-N275 PolarHBondContact O-ND2 2.72Å; D272-N275 PolarHBondContact OD1-ND2 3.49Å; W273-N275 PolarHBondContact O-N 3.01Å; W273-N275 VanDerWaalsContact O-N 3.11Å
276Y97.9Very high97.7Very high63 Ų6354.2 Ų54.225%0.24729%0.289CS..THydrogen-bonded Turntrans-127.1-43-172.1-65.1-92.1000112.6V146 H150 W164 R266 D272 W273 K274 T278V146-Y276 HydrophobicContact CB-CD2 4.49Å; V146-Y276 HydrophobicContact CG1-CD1 4.25Å; V146-Y276 HydrophobicContact CG1-CD2 3.47Å; V146-Y276 VanDerWaalsContact CG1-CD2 3.47Å; V146-Y276 HydrophobicContact CG1-CE1 4.29Å; V146-Y276 HydrophobicContact CG1-CE2 3.54Å; V146-Y276 HydrophobicContact CG1-CG 3.85Å; V146-Y276 HydrophobicContact CG2-CD2 4.16Å; V146-Y276 HydrophobicContact CG2-CG 4.24Å; H150-Y276 AromaticContact CE1-CE1 3.94Å; H150-Y276 AromaticContact NE2-CE1 3.08Å; H150-Y276 WeakPolarHBondContact NE2-CE1 2.89Å; H150-Y276 AromaticContact NE2-CZ 3.29Å; H150-Y276 VanDerWaalsContact NE2-CZ 3.29Å; H150-Y276 PolarHBondContact NE2-OH 3.12Å; W164-Y276 PolarHBondContact NE1-O 3.32Å; R266-Y276 PolarHBondContact NH1-OH 3.01Å; D272-Y276 WeakPolarHBondContact O-CD2 3.32Å; D272-Y276 WeakPolarHBondContact OD2-CE2 3.47Å; W273-Y276 PolarHBondContact O-N 3.35Å; K274-Y276 VanDerWaalsContact C-N 3.31Å; Y276-T278 PolarHBondContact O-N 2.8Å
277F98.5Very high97.8Very high17 Ų1755.8 Ų55.88%0.07530%0.298CS..  trans-70.6128.5178.1-78.8-106.8000110K142 L145 V146 W164 W273 Q281 F285K142-F277 HydrophobicContact CB-CE2 4.05Å; K142-F277 HydrophobicContact CB-CZ 4.16Å; K142-F277 HydrophobicContact CG-CE2 4.46Å; K142-F277 HydrophobicContact CG-CZ 4.14Å; L145-F277 HydrophobicContact CD1-CZ 4.02Å; V146-F277 HydrophobicContact CG2-CD2 4.3Å; V146-F277 HydrophobicContact CG2-CE2 3.89Å; W164-F277 HydrophobicContact CH2-CD2 4.19Å; W164-F277 AromaticContact CH2-CE2 3.78Å; W164-F277 HydrophobicContact CH2-CE2 3.78Å; W164-F277 HydrophobicContact CH2-CZ 4.37Å; W164-F277 AromaticContact CZ2-CD2 3.67Å; W164-F277 HydrophobicContact CZ2-CD2 3.67Å; W164-F277 AromaticContact CZ2-CE2 3.64Å; W164-F277 HydrophobicContact CZ2-CE2 3.64Å; W164-F277 HydrophobicContact CZ2-CG 4.24Å; W164-F277 HydrophobicContact CZ2-CZ 4.18Å; W273-F277 HydrophobicContact CB-CD2 3.94Å; W273-F277 HydrophobicContact CB-CE2 4.03Å; W273-F277 HydrophobicContact CE3-CB 4.03Å; W273-F277 AromaticContact CE3-CD2 3.96Å; W273-F277 HydrophobicContact CE3-CD2 3.96Å; W273-F277 HydrophobicContact CE3-CG 4.03Å; W273-F277 HydrophobicContact CZ3-CB 4.34Å; W273-F277 WeakPolarHBondContact O-CD2 3.15Å; W273-F277 PolarHBondContact O-N 2.89Å; F277-Q281 HydrophobicContact CD1-CB 3.94Å; F277-F285 HydrophobicContact CE1-CB 4.06Å; F277-F285 HydrophobicContact CE1-CD2 4.1Å; F277-F285 HydrophobicContact CE1-CG 4.06Å; F277-F285 HydrophobicContact CZ-CD2 4.43Å
278T98.6Very high97.8Very high74 Ų7453.1 Ų53.145%0.45429%0.287SS..  trans-67.8161.3159690000109.7Y276 A280 Q281 S282Y276-T278 PolarHBondContact O-N 2.8Å; T278-A280 VanDerWaalsContact C-N 3.28Å; T278-A280 PolarHBondContact O-N 3.15Å; T278-Q281 PolarHBondContact O-N 2.93Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.22Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.48Å; T278-Q281 PolarHBondContact OG1-N 3.26Å; T278-Q281 VanDerWaalsContact OG1-N 3.16Å; T278-Q281 PolarHBondContact OG1-OE1 3.08Å; T278-S282 PolarHBondContact O-N 3.03Å
279V98.4Very high98.1Very high106 Ų10655 Ų5564%0.64229%0.291SS*.Hα-helixtrans-55.8-46.6175.6176.40000110.6Q281 S282 E283V279-Q281 PolarHBondContact O-N 2.67Å; V279-S282 WeakPolarHBondContact O-CB 3.5Å; V279-S282 PolarHBondContact O-N 3.02Å; V279-S282 VanDerWaalsContact O-N 3.13Å; V279-E283 HydrophobicContact CG1-CG 4.37Å; V279-E283 WeakPolarHBondContact O-CG 3.49Å; V279-E283 PolarHBondContact O-N 3.08Å
280A98.4Very high98.3Very high65 Ų6557.2 Ų57.254%0.53729%0.294SS..Hα-helixtrans-61.5-43.5179.100000112.6T278 S282 E283 D284T278-A280 VanDerWaalsContact C-N 3.28Å; T278-A280 PolarHBondContact O-N 3.15Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-S282 PolarHBondContact O-N 3.13Å; A280-E283 PolarHBondContact O-N 3.31Å; A280-D284 WeakPolarHBondContact O-CB 3.28Å; A280-D284 PolarHBondContact O-N 3.44Å
281Q98.6Very high98.4Very high27 Ų2763.1 Ų63.113%0.12632%0.319CS..Hα-helixtrans-62.8-39.3174.6-76.6170.9-25.400111.8W164 F277 T278 V279 F285W164-Q281 VanDerWaalsContact NE1-OE1 3.11Å; F277-Q281 HydrophobicContact CD1-CB 3.94Å; T278-Q281 PolarHBondContact O-N 2.93Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.22Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.48Å; T278-Q281 PolarHBondContact OG1-N 3.26Å; T278-Q281 VanDerWaalsContact OG1-N 3.16Å; T278-Q281 PolarHBondContact OG1-OE1 3.08Å; V279-Q281 PolarHBondContact O-N 2.67Å; Q281-F285 WeakPolarHBondContact O-CB 3.43Å; Q281-F285 PolarHBondContact O-N 3.43Å
282S98.6Very high98.4Very high18 Ų1865.5 Ų65.513%0.12633%0.325CS..Hα-helixtrans-65.5-46.8178.6-176.70000111.5K142 W273 T278 V279 A280 F285 D286K142-S282 PolarHBondContact NZ-OG 3.18Å; W273-S282 WeakPolarHBondContact CZ3-OG 3.49Å; T278-S282 PolarHBondContact O-N 3.03Å; V279-S282 WeakPolarHBondContact O-CB 3.5Å; V279-S282 PolarHBondContact O-N 3.02Å; V279-S282 VanDerWaalsContact O-N 3.13Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-S282 PolarHBondContact O-N 3.13Å; S282-F285 PolarHBondContact O-N 3.07Å; S282-D286 WeakPolarHBondContact O-CB 3.15Å; S282-D286 PolarHBondContact O-N 3.45Å; S282-D286 VanDerWaalsContact O-OD2 3.07Å; S282-D286 PolarHBondContact OG-OD2 2.87Å
283E98.6Very high98.4Very high127 Ų12765.7 Ų65.759%0.59333%0.326SS*.Hα-helixtrans-62.9-45.3180-71.3173.2168.400111.8V279 A280 D286 E287V279-E283 HydrophobicContact CG1-CG 4.37Å; V279-E283 WeakPolarHBondContact O-CG 3.49Å; V279-E283 PolarHBondContact O-N 3.08Å; A280-E283 PolarHBondContact O-N 3.31Å; E283-D286 PolarHBondContact O-N 3.47Å; E283-E287 PolarHBondContact O-N 2.88Å
284D98.6Very high98.4Very high76 Ų7668 Ų6841%0.40635%0.35SS..Hα-helixtrans-64.3-42175.9172.774.8000112.1K172 A280 D286 E287 D288K172-D284 IonicContact NZ-OD1 3.01Å; K172-D284 IonicContact NZ-OD2 2.81Å; K172-D284 PolarHBondContact NZ-OD2 3.34Å; A280-D284 WeakPolarHBondContact O-CB 3.28Å; A280-D284 PolarHBondContact O-N 3.44Å; D284-D286 VanDerWaalsContact C-N 3.35Å; D284-D286 PolarHBondContact O-N 3.36Å; D284-E287 WeakPolarHBondContact O-CB 3.47Å; D284-E287 PolarHBondContact O-N 2.81Å; D284-D288 PolarHBondContact O-N 3.25Å; D284-D288 VanDerWaalsContact O-N 3.07Å
285F98.7Very high98.3Very high1 Ų167.5 Ų67.50%0.00437%0.372CS..Hα-helixtrans-63.5-40.4174.6-169.8-81.9000111.8A141 K142 L145 F171 K172 F277 Q281 S282 E287 D288 Y289A141-F285 HydrophobicContact CB-CE1 3.91Å; A141-F285 HydrophobicContact CB-CZ 3.71Å; K142-F285 HydrophobicContact CD-CD1 4.44Å; K142-F285 HydrophobicContact CG-CD1 3.89Å; K142-F285 HydrophobicContact CG-CE1 3.84Å; L145-F285 HydrophobicContact CD1-CD2 4.24Å; L145-F285 HydrophobicContact CD1-CE2 3.71Å; F171-F285 HydrophobicContact CD1-CE2 4.22Å; F171-F285 HydrophobicContact CE1-CE2 4.37Å; F171-F285 HydrophobicContact CE1-CZ 4.31Å; K172-F285 HydrophobicContact CD-CD2 4.01Å; K172-F285 HydrophobicContact CG-CD2 3.76Å; K172-F285 HydrophobicContact CG-CE2 3.85Å; F277-F285 HydrophobicContact CE1-CB 4.06Å; F277-F285 HydrophobicContact CE1-CD2 4.1Å; F277-F285 HydrophobicContact CE1-CG 4.06Å; F277-F285 HydrophobicContact CZ-CD2 4.43Å; Q281-F285 WeakPolarHBondContact O-CB 3.43Å; Q281-F285 PolarHBondContact O-N 3.43Å; S282-F285 PolarHBondContact O-N 3.07Å; F285-E287 VanDerWaalsContact C-N 3.31Å; F285-E287 PolarHBondContact O-N 3.34Å; F285-D288 PolarHBondContact O-N 2.95Å; F285-Y289 HydrophobicContact CE1-CD2 4.15Å; F285-Y289 WeakPolarHBondContact O-CB 3.38Å; F285-Y289 PolarHBondContact O-N 3.32Å
286D98.7Very high98.2Very high65 Ų6563.5 Ų63.535%0.34835%0.353SS..Hα-helixtrans-65.7-34.1178.5-71.8-29.4000112K142 S282 E283 D284 R290K142-D286 WeakPolarHBondContact CE-OD1 3.34Å; K142-D286 IonicContact NZ-OD1 3.41Å; K142-D286 PolarHBondContact NZ-OD1 3.46Å; K142-D286 IonicContact NZ-OD2 2.68Å; K142-D286 PolarHBondContact NZ-OD2 3.34Å; S282-D286 WeakPolarHBondContact O-CB 3.15Å; S282-D286 PolarHBondContact O-N 3.45Å; S282-D286 VanDerWaalsContact O-OD2 3.07Å; S282-D286 PolarHBondContact OG-OD2 2.87Å; E283-D286 PolarHBondContact O-N 3.47Å; D284-D286 VanDerWaalsContact C-N 3.35Å; D284-D286 PolarHBondContact O-N 3.36Å; D286-R290 WeakPolarHBondContact O-CB 3.27Å; D286-R290 PolarHBondContact O-N 3.32Å
287E98.5Very high98.2Very high68 Ų6865.4 Ų65.432%0.31837%0.372SS..Hα-helixtrans-65.2-48.3172.1-176.262.5-145.700112.2E283 D284 F285 R290 K291E283-E287 PolarHBondContact O-N 2.88Å; D284-E287 WeakPolarHBondContact O-CB 3.47Å; D284-E287 PolarHBondContact O-N 2.81Å; F285-E287 VanDerWaalsContact C-N 3.31Å; F285-E287 PolarHBondContact O-N 3.34Å; E287-R290 PolarHBondContact O-N 3.36Å; E287-R290 IonicContact OE1-NH1 3.37Å; E287-R290 PolarHBondContact OE1-NH1 3.28Å; E287-R290 VanDerWaalsContact OE1-NH1 3.1Å; E287-R290 IonicContact OE2-CZ 2.67Å; E287-R290 IonicContact OE2-NH1 3.61Å; E287-R290 PolarHBondContact OE2-NH1 3.26Å; E287-R290 IonicContact OE2-NH2 2.71Å; E287-R290 PolarHBondContact OE2-NH2 2.7Å; E287-K291 WeakPolarHBondContact O-CG 3.39Å; E287-K291 PolarHBondContact O-N 2.83Å; E287-K291 WeakPolarHBondContact OE1-CE 3.08Å; E287-K291 IonicContact OE1-NZ 2.71Å; E287-K291 PolarHBondContact OE1-NZ 3.21Å
288D98.5Very high98.2Very high30 Ų3065.2 Ų65.216%0.1637%0.371CS..Hα-helixtrans-60.7-45.6175-177.367.3000111.5Y182 D284 F285 R290 K291 K292Y182-D288 PolarHBondContact OH-OD2 2.92Å; D284-D288 PolarHBondContact O-N 3.25Å; D284-D288 VanDerWaalsContact O-N 3.07Å; F285-D288 PolarHBondContact O-N 2.95Å; D288-R290 PolarHBondContact O-N 3.13Å; D288-K291 PolarHBondContact O-N 3.24Å; D288-K292 PolarHBondContact O-N 3.48Å; D288-K292 WeakPolarHBondContact OD1-CE 3.46Å; D288-K292 IonicContact OD1-NZ 3.48Å; D288-K292 PolarHBondContact OD1-NZ 2.93Å; D288-K292 IonicContact OD2-NZ 2.91Å; D288-K292 PolarHBondContact OD2-NZ 3.28Å
289Y98.7Very high98.1Very high52 Ų5267.1 Ų67.120%0.20438%0.383CS..Hα-helixtrans-59-48178.6-177.7-83.9000111.4A141 W181 Y182 F285 K291 K292 M293 F300A141-Y289 HydrophobicContact CB-CD2 4.3Å; A141-Y289 HydrophobicContact CB-CE2 4.24Å; W181-Y289 AromaticContact CH2-CE2 3.65Å; W181-Y289 HydrophobicContact CH2-CE2 3.65Å; W181-Y289 HydrophobicContact CZ3-CD2 4.17Å; W181-Y289 AromaticContact CZ3-CE2 3.55Å; W181-Y289 HydrophobicContact CZ3-CE2 3.55Å; Y182-Y289 HydrophobicContact CD1-CD2 4.45Å; Y182-Y289 AromaticContact CE1-CD2 3.72Å; Y182-Y289 HydrophobicContact CE1-CD2 3.72Å; Y182-Y289 HydrophobicContact CE1-CE2 4.47Å; Y182-Y289 HydrophobicContact CE1-CG 4.31Å; F285-Y289 HydrophobicContact CE1-CD2 4.15Å; F285-Y289 WeakPolarHBondContact O-CB 3.38Å; F285-Y289 PolarHBondContact O-N 3.32Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.9Å; Y289-K292 PolarHBondContact O-N 3.48Å; Y289-M293 HydrophobicContact CD1-CB 4.34Å; Y289-M293 HydrophobicContact CD1-CG 4.09Å; Y289-M293 HydrophobicContact CD2-CG 4.09Å; Y289-M293 HydrophobicContact CE1-CB 4.05Å; Y289-M293 HydrophobicContact CE1-CG 3.8Å; Y289-M293 HydrophobicContact CE2-CG 3.81Å; Y289-M293 HydrophobicContact CG-CG 4.21Å; Y289-M293 VanDerWaalsContact O-CB 3.28Å; Y289-M293 WeakPolarHBondContact O-CB 3.42Å; Y289-M293 WeakPolarHBondContact O-CG 3.41Å; Y289-M293 PolarHBondContact O-N 3.46Å; Y289-F300 VanDerWaalsContact OH-CD2 3.28Å; Y289-F300 WeakPolarHBondContact OH-CD2 3.37Å
290R98.4Very high98.1Very high138 Ų13863.2 Ų63.252%0.52136%0.358SS..Hα-helixtrans-59.8-39.4179.7-162.7-172.5-30.7102.36.3111.9D286 E287 D288 A294D286-R290 WeakPolarHBondContact O-CB 3.27Å; D286-R290 PolarHBondContact O-N 3.32Å; E287-R290 PolarHBondContact O-N 3.36Å; E287-R290 IonicContact OE1-NH1 3.37Å; E287-R290 PolarHBondContact OE1-NH1 3.28Å; E287-R290 VanDerWaalsContact OE1-NH1 3.1Å; E287-R290 IonicContact OE2-CZ 2.67Å; E287-R290 IonicContact OE2-NH1 3.61Å; E287-R290 PolarHBondContact OE2-NH1 3.26Å; E287-R290 IonicContact OE2-NH2 2.71Å; E287-R290 PolarHBondContact OE2-NH2 2.7Å; D288-R290 PolarHBondContact O-N 3.13Å; R290-A294 WeakPolarHBondContact O-CB 3.38Å; R290-A294 PolarHBondContact O-N 3.09Å; R290-A294 VanDerWaalsContact O-N 3.17Å
291K98.3Very high98.1Very high137 Ų13763.5 Ų63.560%0.59635%0.345SS*.Hα-helixtrans-67.2-48.1176.6-70.1171.4-1761580111.6E287 D288 Y289 A294E287-K291 WeakPolarHBondContact O-CG 3.39Å; E287-K291 PolarHBondContact O-N 2.83Å; E287-K291 WeakPolarHBondContact OE1-CE 3.08Å; E287-K291 IonicContact OE1-NZ 2.71Å; E287-K291 PolarHBondContact OE1-NZ 3.21Å; D288-K291 PolarHBondContact O-N 3.24Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.9Å; K291-A294 WeakPolarHBondContact O-CB 3.3Å; K291-A294 PolarHBondContact O-N 3.14Å
292K98.3Very high98Very high65 Ų6564.7 Ų64.728%0.28335%0.354SS..Hα-helixtrans-76.1-25.9-174.1-72.6-178.8-179.5151.80114.5K172 Y182 K186 D288 Y289K172-K292 PolarHBondContact O-NZ 3.05Å; Y182-K292 HydrophobicContact CD1-CB 3.68Å; Y182-K292 HydrophobicContact CD1-CD 4.19Å; Y182-K292 HydrophobicContact CD2-CB 4.28Å; Y182-K292 HydrophobicContact CD2-CD 3.37Å; Y182-K292 HydrophobicContact CD2-CG 4.45Å; Y182-K292 HydrophobicContact CE1-CB 4.04Å; Y182-K292 HydrophobicContact CE1-CD 4.2Å; Y182-K292 HydrophobicContact CE2-CD 3.35Å; Y182-K292 HydrophobicContact CG-CB 3.8Å; Y182-K292 HydrophobicContact CG-CD 3.79Å; Y182-K292 HydrophobicContact CG-CG 4.44Å; K186-K292 PolarHBondContact NZ-O 2.82Å; D288-K292 PolarHBondContact O-N 3.48Å; D288-K292 WeakPolarHBondContact OD1-CE 3.46Å; D288-K292 IonicContact OD1-NZ 3.48Å; D288-K292 PolarHBondContact OD1-NZ 2.93Å; D288-K292 IonicContact OD2-NZ 2.91Å; D288-K292 PolarHBondContact OD2-NZ 3.28Å; Y289-K292 PolarHBondContact O-N 3.48Å
293M98.4Very high97.8Very high15 Ų1568.7 Ų68.77%0.07437%0.37CS..THydrogen-bonded Turntrans-96.4-0.4176.4-61.9-57.8-71.400113.1W181 Y182 V185 K186 Y289 G295 S296 I298 F300W181-M293 HydrophobicContact CH2-CE 4.45Å; W181-M293 HydrophobicContact CZ3-CE 4.38Å; W181-M293 HydrophobicContact CZ3-CG 4.45Å; W181-M293 HydrophobicContact CZ3-SD 3.93Å; Y182-M293 HydrophobicContact CD1-CG 3.95Å; Y182-M293 HydrophobicContact CD1-SD 3.85Å; Y182-M293 HydrophobicContact CE1-CG 4.46Å; V185-M293 HydrophobicContact CG2-CE 4.14Å; V185-M293 HydrophobicContact CG2-SD 4.5Å; K186-M293 HydrophobicContact CD-SD 4.14Å; K186-M293 HydrophobicContact CG-CE 4.18Å; K186-M293 HydrophobicContact CG-SD 4.17Å; Y289-M293 HydrophobicContact CD1-CB 4.34Å; Y289-M293 HydrophobicContact CD1-CG 4.09Å; Y289-M293 HydrophobicContact CD2-CG 4.09Å; Y289-M293 HydrophobicContact CE1-CB 4.05Å; Y289-M293 HydrophobicContact CE1-CG 3.8Å; Y289-M293 HydrophobicContact CE2-CG 3.81Å; Y289-M293 HydrophobicContact CG-CG 4.21Å; Y289-M293 VanDerWaalsContact O-CB 3.28Å; Y289-M293 WeakPolarHBondContact O-CB 3.42Å; Y289-M293 WeakPolarHBondContact O-CG 3.41Å; Y289-M293 PolarHBondContact O-N 3.46Å; M293-G295 PolarHBondContact O-N 2.61Å; M293-S296 VanDerWaalsContact O-CB 3.24Å; M293-S296 WeakPolarHBondContact O-CB 3.49Å; M293-S296 PolarHBondContact O-N 3.14Å; M293-I298 HydrophobicContact CE-CB 4.37Å; M293-I298 HydrophobicContact CE-CD1 4.22Å; M293-F300 HydrophobicContact CE-CE2 4.16Å
294A97.5Very high97.5Very high72 Ų7267.6 Ų67.660%0.59537%0.368SS*.THydrogen-bonded Turntrans-54.3134174.900000111R290 K291 S296R290-A294 WeakPolarHBondContact O-CB 3.38Å; R290-A294 PolarHBondContact O-N 3.09Å; R290-A294 VanDerWaalsContact O-N 3.17Å; K291-A294 WeakPolarHBondContact O-CB 3.3Å; K291-A294 PolarHBondContact O-N 3.14Å; A294-S296 PolarHBondContact O-N 3.44Å
295G96.4Very high97.4Very high87 Ų8767.2 Ų67.290%0.89737%0.366SS*.THydrogen-bonded Turntrans80.4-9.5-178.200000115.1M293M293-G295 PolarHBondContact O-N 2.61Å
296S96.8Very high97.4Very high31 Ų3170.6 Ų70.622%0.21739%0.385CS..  trans-77.6144.8171.7-170.80000111.2M293 A294 I298M293-S296 VanDerWaalsContact O-CB 3.24Å; M293-S296 WeakPolarHBondContact O-CB 3.49Å; M293-S296 PolarHBondContact O-N 3.14Å; A294-S296 PolarHBondContact O-N 3.44Å; S296-I298 WeakPolarHBondContact OG-CD1 3.49Å; S296-I298 VanDerWaalsContact OG-CG1 3.24Å; S296-I298 WeakPolarHBondContact OG-CG1 2.97Å; S296-I298 PolarHBondContact OG-N 2.71Å
297T97.6Very high97.3Very high103 Ų10370.9 Ų70.963%0.63239%0.387SS*.  trans-921.5171.665.70000112.7W189W189-T297 PolarHBondContact NE1-OG1 3.02Å
298I97.6Very high97.2Very high13 Ų1371.1 Ų71.17%0.06739%0.391CS..  trans-73.6130.9-178.8-51.5164.3000108.9V185 K186 W189 F201 M293 S296 F300V185-I298 HydrophobicContact CG2-CD1 4.41Å; K186-I298 HydrophobicContact CG-CD1 4.22Å; W189-I298 HydrophobicContact CB-CD1 3.49Å; W189-I298 VanDerWaalsContact CB-CD1 3.49Å; W189-I298 HydrophobicContact CB-CG1 3.87Å; W189-I298 HydrophobicContact CD2-CD1 4.1Å; W189-I298 HydrophobicContact CD2-CG1 3.43Å; W189-I298 VanDerWaalsContact CD2-CG1 3.43Å; W189-I298 HydrophobicContact CE3-CG1 4.01Å; W189-I298 HydrophobicContact CG-CD1 3.57Å; W189-I298 HydrophobicContact CG-CG1 3.34Å; W189-I298 HydrophobicContact CZ2-CG1 4.44Å; F201-I298 HydrophobicContact CE1-CG2 3.73Å; F201-I298 HydrophobicContact CZ-CG2 3.95Å; M293-I298 HydrophobicContact CE-CB 4.37Å; M293-I298 HydrophobicContact CE-CD1 4.22Å; S296-I298 WeakPolarHBondContact OG-CD1 3.49Å; S296-I298 VanDerWaalsContact OG-CG1 3.24Å; S296-I298 WeakPolarHBondContact OG-CG1 2.97Å; S296-I298 PolarHBondContact OG-N 2.71Å; I298-F300 HydrophobicContact CB-CE2 4.09Å; I298-F300 HydrophobicContact CG2-CD2 3.71Å; I298-F300 HydrophobicContact CG2-CE2 3.19Å; I298-F300 HydrophobicContact CG2-CZ 3.68Å
299T96.8Very high97.1Very high114 Ų11473.7 Ų73.770%0.69941%0.405SS*.  trans-117.6120175.2-57.30000109.4
300F98.4Very high97Very high24 Ų2475.1 Ų75.111%0.10542%0.419CS..  trans-103.9144.2175.6-71.7-86.8000110.7A138 N140 W181 V185 F201 Y289 M293 I298A138-F300 HydrophobicContact CB-CE1 3.51Å; A138-F300 HydrophobicContact CB-CZ 3.77Å; N140-F300 HydrophobicContact CB-CB 4.15Å; N140-F300 HydrophobicContact CB-CD1 4.42Å; W181-F300 AromaticContact CH2-CD2 3.81Å; W181-F300 HydrophobicContact CH2-CD2 3.81Å; W181-F300 HydrophobicContact CH2-CE1 4.46Å; W181-F300 AromaticContact CH2-CE2 3.47Å; W181-F300 HydrophobicContact CH2-CE2 3.47Å; W181-F300 VanDerWaalsContact CH2-CE2 3.47Å; W181-F300 HydrophobicContact CH2-CG 4.39Å; W181-F300 AromaticContact CH2-CZ 3.86Å; W181-F300 HydrophobicContact CH2-CZ 3.86Å; W181-F300 HydrophobicContact CZ2-CD1 4.33Å; W181-F300 HydrophobicContact CZ2-CD2 4.2Å; W181-F300 AromaticContact CZ2-CE1 3.93Å; W181-F300 HydrophobicContact CZ2-CE1 3.93Å; W181-F300 AromaticContact CZ2-CE2 3.75Å; W181-F300 HydrophobicContact CZ2-CE2 3.75Å; W181-F300 HydrophobicContact CZ2-CG 4.44Å; W181-F300 AromaticContact CZ2-CZ 3.61Å; W181-F300 HydrophobicContact CZ2-CZ 3.61Å; V185-F300 HydrophobicContact CB-CZ 4.09Å; V185-F300 HydrophobicContact CG1-CZ 4.13Å; V185-F300 HydrophobicContact CG2-CE2 4.16Å; V185-F300 HydrophobicContact CG2-CZ 4.14Å; F201-F300 AromaticContact CD1-CD1 3.96Å; F201-F300 HydrophobicContact CD1-CD1 3.96Å; F201-F300 AromaticContact CD1-CE1 3.82Å; F201-F300 HydrophobicContact CD1-CE1 3.82Å; F201-F300 HydrophobicContact CE1-CD1 4.14Å; F201-F300 AromaticContact CE1-CE1 3.83Å; F201-F300 HydrophobicContact CE1-CE1 3.83Å; F201-F300 HydrophobicContact CE1-CZ 4.13Å; Y289-F300 VanDerWaalsContact OH-CD2 3.28Å; Y289-F300 WeakPolarHBondContact OH-CD2 3.37Å; M293-F300 HydrophobicContact CE-CE2 4.16Å; I298-F300 HydrophobicContact CB-CE2 4.09Å; I298-F300 HydrophobicContact CG2-CD2 3.71Å; I298-F300 HydrophobicContact CG2-CE2 3.19Å; I298-F300 HydrophobicContact CG2-CZ 3.68Å
301R98.4Very high97Very high70 Ų7070.6 Ų70.626%0.26441%0.411SS..  trans-98.6135.1170-61.4-174-71.5167-10.1109.1N140 E203 D204 E207N140-R301 VanDerWaalsContact CB-O 3.28Å; N140-R301 WeakPolarHBondContact CB-O 3.38Å; N140-R301 PolarHBondContact ND2-O 3.36Å; E203-R301 HydrophobicContact CB-CB 4.32Å; E203-R301 HydrophobicContact CG-CB 4.31Å; E203-R301 WeakPolarHBondContact CG-O 3.49Å; D204-R301 IonicContact OD1-CZ 3.43Å; D204-R301 IonicContact OD1-NE 3.51Å; D204-R301 IonicContact OD1-NH2 2.76Å; D204-R301 PolarHBondContact OD1-NH2 3.07Å; E207-R301 IonicContact OE1-CZ 2.65Å; E207-R301 IonicContact OE1-NH1 3.64Å; E207-R301 PolarHBondContact OE1-NH1 2.79Å; E207-R301 IonicContact OE1-NH2 3.47Å; E207-R301 IonicContact OE2-CZ 3.4Å; E207-R301 IonicContact OE2-NH1 3.54Å; E207-R301 PolarHBondContact OE2-NH1 2.9Å; E207-R301 IonicContact OE2-NH2 3.5Å; E207-R301 PolarHBondContact OE2-NH2 3.38Å
302T97.1Very high96.9Very high52 Ų5265.5 Ų65.532%0.31940%0.397SS..SBendtrans-95.1-2.6178.652.40000112.8N140 G271 W273N140-T302 HydrophobicContact CB-CG2 4.42Å; G271-T302 VanDerWaalsContact CA-O 3.24Å; G271-T302 WeakPolarHBondContact CA-O 3.28Å; G271-T302 PolarHBondContact N-O 3.29Å; W273-T302 PolarHBondContact NE1-O 3.47Å
303E93.8Very high96.7Very high102 Ų10265.6 Ų65.648%0.47741%0.407SS..  trans-161.1161.9176.461.2-167.9130.800110K274K274-E303 IonicContact NZ-OE1 3.88Å; K274-E303 PolarHBondContact NZ-OE1 3Å; K274-E303 IonicContact NZ-OE2 2.61Å; K274-E303 PolarHBondContact NZ-OE2 2.93Å
304I92.1Very high96.6Very high104 Ų10470.2 Ų70.253%0.53344%0.437SS..  trans-135.80174.760.5170000109.9E203 K206 E207 M269 P270E203-I304 HydrophobicContact CB-CG2 4.04Å; K206-I304 HydrophobicContact CB-CD1 3.52Å; E207-I304 HydrophobicContact CB-CD1 4.34Å; E207-I304 HydrophobicContact CB-CG2 4.46Å; M269-I304 HydrophobicContact CE-CD1 4.43Å; P270-I304 HydrophobicContact CB-CG1 4.25Å; P270-I304 HydrophobicContact CG-CD1 3.83Å; P270-I304 HydrophobicContact CG-CG1 3.9Å; P270-I304 HydrophobicContact CG-CG2 4.42Å

Retrieved 304 of 304 residues in 110.2 ms (Link to these results)

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