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ATP synthase subunit b

Subunit b, of the mitochondrial membrane ATP synthase complex (F(1)F(0) ATP synthase or Complex V) that produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. ATP synthase complex consist of a soluble F(1) head domain - the catalytic core - and a membrane F(1) domain - the membrane proton channel. These two domains are linked by a central stalk rotating inside the F(1) region and a stationary peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. In vivo, can only synthesize ATP although its ATP hydrolase activity can be activated artificially in vitro. Part of the complex F(0) domain. Part of the complex F(0) domain and the peripheric stalk, which acts as a stator to hold the catalytic alpha(3)beta(3) subcomplex and subunit a/ATP6 static relative to the rotary elements.

AlphaFold DB , UniProt , Accession G4VJX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 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
1M42.8Very low36.3Very low172 Ų17282.6 Ų82.685%0.84748%0.482SS*.  0-23.40-100163.917600112.8S4M1-S4 PolarHBondContact O-OG 3.35Å
2F34.7Very low36.9Very low89 Ų8988.7 Ų88.739%0.3950%0.498SS..Hα-helixtrans-70.2-41.2-176.5-80.4-117.4000115.1I6 Y176 I180F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 VanDerWaalsContact O-CG1 3.23Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.44Å; F2-Y176 AromaticContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE2-CD1 4.36Å; F2-Y176 HydrophobicContact CE2-CG 4.42Å; F2-Y176 AromaticContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CD1 3.4Å; F2-Y176 VanDerWaalsContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CE1 4.27Å; F2-Y176 AromaticContact CZ-CG 3.65Å; F2-Y176 HydrophobicContact CZ-CG 3.65Å; F2-I180 HydrophobicContact CD1-CD1 3.59Å; F2-I180 HydrophobicContact CE1-CD1 2.97Å; F2-I180 HydrophobicContact CE1-CG1 4.16Å; F2-I180 HydrophobicContact CZ-CD1 3.56Å
3R34.1Very low37.2Very low76 Ų7690.3 Ų90.329%0.28749%0.493SS..Hα-helixtrans-78.3-21.2-174.9-128.4177.8-176.1-124.56.7114.6I6 L7 D69R3-I6 PolarHBondContact O-N 2.85Å; R3-L7 HydrophobicContact CB-CD1 4.23Å; R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 HydrophobicContact CG-CG 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.33Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.41Å; R3-D69 IonicContact NH2-OD1 3.72Å; R3-D69 PolarHBondContact NH2-OD1 3.37Å; R3-D69 VanDerWaalsContact NH2-OD1 3.12Å; R3-D69 IonicContact NH2-OD2 2.78Å
4S34.6Very low37.4Very low90 Ų9085.8 Ų85.863%0.62948%0.478SS*.Hα-helixtrans-72.5-30.5175.660.80000112.3M1 S8M1-S4 PolarHBondContact O-OG 3.35Å; S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.16Å
5S37Very low37.9Very low68 Ų6882.5 Ų82.548%0.47647%0.466SS..Hα-helixtrans-79.4-30.8171.8-171.20000112.5S8 S9S5-S8 PolarHBondContact O-OG 3.38Å; S5-S9 WeakPolarHBondContact O-CB 3.25Å; S5-S9 PolarHBondContact O-N 2.71Å
6I36.9Very low38.3Very low91 Ų9182.1 Ų82.147%0.46746%0.455SS..Hα-helixtrans-81.6-35.3-179.8-63.9166.4000111.2F2 R3 S9 T10F2-I6 WeakPolarHBondContact O-CD1 3.31Å; F2-I6 VanDerWaalsContact O-CG1 3.23Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.44Å; R3-I6 PolarHBondContact O-N 2.85Å; I6-S9 CarbonylContact O-C 3.53Å; I6-S9 WeakPolarHBondContact O-CA 3.43Å; I6-S9 WeakPolarHBondContact O-CB 3.46Å; I6-S9 PolarHBondContact O-N 3.31Å; I6-S9 VanDerWaalsContact O-N 3.08Å; I6-T10 PolarHBondContact O-N 2.84Å
7L32.1Very low38.8Very low90 Ų9082.1 Ų82.147%0.47145%0.453SS..Hα-helixtrans-76.7-25.1173.3-75.4158.4000113.1R3 T10R3-L7 HydrophobicContact CB-CD1 4.23Å; R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 HydrophobicContact CG-CG 4.24Å; R3-L7 WeakPolarHBondContact O-CB 3.33Å; R3-L7 WeakPolarHBondContact O-CD1 3.25Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.41Å; L7-T10 WeakPolarHBondContact CA-OG1 3.41Å; L7-T10 PolarHBondContact O-OG1 2.92Å
8S37.5Very low39.2Very low78 Ų7887.2 Ų87.255%0.54547%0.465SS..Hα-helixtrans-72.1-24163.498.80000111.3S4 S5S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.16Å; S5-S8 PolarHBondContact O-OG 3.38Å
9S36.1Very low39.5Very low30 Ų3087.3 Ų87.321%0.2147%0.465CS..Hα-helixtrans-80.3-29.6175-162.20000112.5S5 I6 G11 K12 Y13S5-S9 WeakPolarHBondContact O-CB 3.25Å; S5-S9 PolarHBondContact O-N 2.71Å; I6-S9 CarbonylContact O-C 3.53Å; I6-S9 WeakPolarHBondContact O-CA 3.43Å; I6-S9 WeakPolarHBondContact O-CB 3.46Å; I6-S9 PolarHBondContact O-N 3.31Å; I6-S9 VanDerWaalsContact O-N 3.08Å; S9-G11 PolarHBondContact O-N 2.87Å; S9-K12 CarbonylContact O-C 3.39Å; S9-K12 WeakPolarHBondContact O-CA 3.33Å; S9-K12 WeakPolarHBondContact O-CB 3.4Å; S9-K12 PolarHBondContact O-N 3.32Å; S9-Y13 VanDerWaalsContact C-CD2 3.48Å; S9-Y13 WeakPolarHBondContact O-CD2 3.5Å; S9-Y13 PolarHBondContact O-N 3.2Å; S9-Y13 WeakPolarHBondContact OG-CE2 3.39Å
10T37.2Very low39.8Very low74 Ų7487.4 Ų87.445%0.45447%0.465SS..Hα-helixtrans-62.7-29.7173.253.90000111.9I6 L7 G14I6-T10 PolarHBondContact O-N 2.84Å; L7-T10 WeakPolarHBondContact CA-OG1 3.41Å; L7-T10 PolarHBondContact O-OG1 2.92Å; T10-G14 PolarHBondContact O-N 2.83Å
11G36.7Very low40.1Very low51 Ų5190 Ų9053%0.52647%0.473SS..Hα-helixtrans-64.6-34.4167.400000114S9S9-G11 PolarHBondContact O-N 2.87Å
12K43.2Very low39.9Very low155 Ų15587.4 Ų87.467%0.67446%0.46SS*.Hα-helixtrans-77.4-37.5174.7-67.7-173.2174.6-171.20112.3S9 G14 A15 Y16S9-K12 CarbonylContact O-C 3.39Å; S9-K12 WeakPolarHBondContact O-CA 3.33Å; S9-K12 WeakPolarHBondContact O-CB 3.4Å; S9-K12 PolarHBondContact O-N 3.32Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 3.27Å; K12-A15 VanDerWaalsContact O-CB 3.32Å; K12-A15 WeakPolarHBondContact O-CB 3.48Å; K12-A15 PolarHBondContact O-N 3.45Å; K12-Y16 PolarHBondContact O-N 3.35Å
13Y41.1Very low40.2Very low110 Ų11085.7 Ų85.743%0.43146%0.458SS..Hα-helixtrans-66.3-30.7173.2-67.8-65.6000112.2S9 A15 Y16 I17 V187S9-Y13 VanDerWaalsContact C-CD2 3.48Å; S9-Y13 WeakPolarHBondContact O-CD2 3.5Å; S9-Y13 PolarHBondContact O-N 3.2Å; S9-Y13 WeakPolarHBondContact OG-CE2 3.39Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.13Å; Y13-Y16 VanDerWaalsContact O-CB 3.31Å; Y13-Y16 WeakPolarHBondContact O-CB 3.38Å; Y13-Y16 PolarHBondContact O-N 3.46Å; Y13-Y16 VanDerWaalsContact O-N 3.15Å; Y13-I17 PolarHBondContact O-N 3.49Å; Y13-I17 VanDerWaalsContact O-N 3.14Å; Y13-V187 HydrophobicContact CE1-CG1 4.23Å
14G39.5Very low40.5Very low27 Ų2785 Ų8528%0.27847%0.465SS..Hα-helixtrans-65.8-25.2169.500000114.2T10 K12 R18T10-G14 PolarHBondContact O-N 2.83Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 3.27Å; G14-R18 PolarHBondContact O-N 2.84Å; G14-R18 PolarHBondContact O-NE 3.44Å
15A44.5Very low40.8Very low36 Ų3683.5 Ų83.530%0.29845%0.454SS..Hα-helixtrans-73.5-35.7169.800000111.6K12 Y13 I17 R18 N19K12-A15 VanDerWaalsContact O-CB 3.32Å; K12-A15 WeakPolarHBondContact O-CB 3.48Å; K12-A15 PolarHBondContact O-N 3.45Å; Y13-A15 VanDerWaalsContact C-N 3.28Å; Y13-A15 PolarHBondContact O-N 3.13Å; A15-I17 PolarHBondContact O-N 3.47Å; A15-R18 PolarHBondContact O-N 2.84Å; A15-R18 VanDerWaalsContact O-N 3.17Å; A15-N19 PolarHBondContact O-N 2.8Å
16Y45.3Very low40.9Very low76 Ų7685.4 Ų85.430%0.29846%0.459SS..Hα-helixtrans-61.9-41.3174.8-143.1-104.1000112.2K12 Y13 R18 N19 L20 I191 C194K12-Y16 PolarHBondContact O-N 3.35Å; Y13-Y16 VanDerWaalsContact O-CB 3.31Å; Y13-Y16 WeakPolarHBondContact O-CB 3.38Å; Y13-Y16 PolarHBondContact O-N 3.46Å; Y13-Y16 VanDerWaalsContact O-N 3.15Å; Y16-R18 VanDerWaalsContact C-N 3.33Å; Y16-R18 PolarHBondContact O-N 3.27Å; Y16-N19 PolarHBondContact O-N 3.46Å; Y16-L20 HydrophobicContact CD1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 WeakPolarHBondContact O-CB 3.31Å; Y16-L20 PolarHBondContact O-N 2.86Å; Y16-I191 HydrophobicContact CD2-CD1 4.5Å; Y16-I191 HydrophobicContact CD2-CG1 4.2Å; Y16-I191 HydrophobicContact CE2-CB 4.2Å; Y16-I191 HydrophobicContact CE2-CD1 4.36Å; Y16-I191 HydrophobicContact CE2-CG1 3.59Å; Y16-I191 HydrophobicContact CE2-CG2 4.05Å; Y16-C194 PolarHBondContact OH-SG 2.97Å
17I46.2Very low41.1Very low83 Ų8386.9 Ų86.943%0.42646%0.463SS..Hα-helixtrans-66.4-34175.4-63.2173.3000111.6Y13 A15 K21Y13-I17 PolarHBondContact O-N 3.49Å; Y13-I17 VanDerWaalsContact O-N 3.14Å; A15-I17 PolarHBondContact O-N 3.47Å; I17-K21 WeakPolarHBondContact O-CB 3.46Å; I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.4Å
18R45.3Very low41.6Very low174 Ų17486.1 Ų86.166%0.65747%0.47SS*.Hα-helixtrans-71.3-39.9174.8-78.3-175.7-71.7-147.4-0.4112.3G14 A15 Y16 K21 M22G14-R18 PolarHBondContact O-N 2.84Å; G14-R18 PolarHBondContact O-NE 3.44Å; A15-R18 PolarHBondContact O-N 2.84Å; A15-R18 VanDerWaalsContact O-N 3.17Å; Y16-R18 VanDerWaalsContact C-N 3.33Å; Y16-R18 PolarHBondContact O-N 3.27Å; R18-K21 PolarHBondContact O-N 3.43Å; R18-M22 WeakPolarHBondContact O-CB 3.2Å; R18-M22 PolarHBondContact O-N 3.47Å
19N46.5Very low41.8Very low89 Ų8987.9 Ų87.948%0.47648%0.477SS..Hα-helixtrans-71.4-37.2177.9-70.4-14.4000112.1A15 Y16 M22 C23A15-N19 PolarHBondContact O-N 2.8Å; Y16-N19 PolarHBondContact O-N 3.46Å; N19-M22 WeakPolarHBondContact O-CB 3.41Å; N19-M22 PolarHBondContact O-N 3.18Å; N19-C23 PolarHBondContact O-N 2.92Å
20L44.7Very low42.1Very low88 Ų8890 Ų9046%0.46150%0.497SS..Hα-helixtrans-66.6-40.5172.1-89.3153000112.6Y16 M22 C23 S24Y16-L20 HydrophobicContact CD1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 WeakPolarHBondContact O-CB 3.31Å; Y16-L20 PolarHBondContact O-N 2.86Å; L20-M22 PolarHBondContact O-N 3.28Å; L20-C23 WeakPolarHBondContact O-CB 3.25Å; L20-C23 PolarHBondContact O-N 3.38Å; L20-S24 PolarHBondContact O-N 2.78Å
21K45.4Very low42Very low144 Ų14489.3 Ų89.363%0.62650%0.504SS*.Hα-helixtrans-64.3-29.5169.9-81.6-174.6175.3-174.50112.6I17 R18 S24 S25I17-K21 WeakPolarHBondContact O-CB 3.46Å; I17-K21 WeakPolarHBondContact O-CG 3.4Å; I17-K21 PolarHBondContact O-N 3.4Å; R18-K21 PolarHBondContact O-N 3.43Å; K21-S24 PolarHBondContact O-OG 2.87Å; K21-S24 VanDerWaalsContact O-OG 3.07Å; K21-S25 WeakPolarHBondContact O-CB 3.28Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3Å
22M38.3Very low42.1Very low117 Ų11793.1 Ų93.158%0.57652%0.517SS*.Hα-helixtrans-70.2-40.1173.9-158.3174.7-173.500110.9R18 N19 L20 S25 L26R18-M22 WeakPolarHBondContact O-CB 3.2Å; R18-M22 PolarHBondContact O-N 3.47Å; N19-M22 WeakPolarHBondContact O-CB 3.41Å; N19-M22 PolarHBondContact O-N 3.18Å; L20-M22 PolarHBondContact O-N 3.28Å; M22-S25 WeakPolarHBondContact CA-OG 3.4Å; M22-S25 PolarHBondContact O-N 3.41Å; M22-S25 PolarHBondContact O-OG 2.97Å; M22-L26 PolarHBondContact O-N 3.42Å
23C41.3Very low41.8Very low53 Ų5391 Ų9136%0.35852%0.517SS..Hα-helixtrans-63-40.3171.8-77.30000113N19 L20 L26 H27N19-C23 PolarHBondContact O-N 2.92Å; L20-C23 WeakPolarHBondContact O-CB 3.25Å; L20-C23 PolarHBondContact O-N 3.38Å; C23-L26 PolarHBondContact O-N 2.97Å; C23-H27 PolarHBondContact O-N 3.25Å
24S41.7Very low41.5Very low60 Ų6095.5 Ų95.542%0.4254%0.542SS..Hα-helixtrans-69.6-33.5174.6720000112.4L20 K21 H27 A28L20-S24 PolarHBondContact O-N 2.78Å; K21-S24 PolarHBondContact O-OG 2.87Å; K21-S24 VanDerWaalsContact O-OG 3.07Å; S24-H27 WeakPolarHBondContact O-CB 3.42Å; S24-H27 PolarHBondContact O-N 3Å; S24-A28 PolarHBondContact O-N 2.69Å
25S40.5Very low41.5Very low59 Ų59101.3 Ų101.341%0.41356%0.56SS.*Hα-helixtrans-69.7-31.8173.475.20000113.4K21 M22 H27 A28 V29K21-S25 WeakPolarHBondContact O-CB 3.28Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3Å; M22-S25 WeakPolarHBondContact CA-OG 3.4Å; M22-S25 PolarHBondContact O-N 3.41Å; M22-S25 PolarHBondContact O-OG 2.97Å; S25-H27 VanDerWaalsContact C-N 3.32Å; S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 3.41Å; S25-V29 PolarHBondContact O-N 3.05Å
26L38.7Very low40.9Very low108 Ų108105 Ų10557%0.56558%0.58SS**Hα-helixtrans-68.1-33172.6-86.3160.6000111.6M22 C23 A28 V29 A30M22-L26 PolarHBondContact O-N 3.42Å; C23-L26 PolarHBondContact O-N 2.97Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.84Å; L26-V29 PolarHBondContact O-N 2.78Å; L26-A30 PolarHBondContact O-N 3.28Å
27H41.5Very low40.9Very low123 Ų123108.9 Ų108.957%0.56961%0.606SS**Hα-helixtrans-64.1-35.2170.9-116.559.1000112.6C23 S24 S25 V29 A30 G31C23-H27 PolarHBondContact O-N 3.25Å; S24-H27 WeakPolarHBondContact O-CB 3.42Å; S24-H27 PolarHBondContact O-N 3Å; S25-H27 VanDerWaalsContact C-N 3.32Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 2.85Å; H27-A30 PolarHBondContact O-N 3.29Å; H27-G31 PolarHBondContact O-N 3.21Å
28A42.1Very low40.6Very low73 Ų73113.9 Ų113.960%0.60363%0.628SS**Hα-helixtrans-69.5-28.8176.800000113.2S24 S25 L26S24-A28 PolarHBondContact O-N 2.69Å; S25-A28 WeakPolarHBondContact O-CB 3.47Å; S25-A28 PolarHBondContact O-N 3.41Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.84Å
29V42.6Very low40.6Very low116 Ų116108.2 Ų108.270%0.70362%0.615SS**Hα-helixtrans-80.4-28.1177.6178.90000111.8S25 L26 H27 G31S25-V29 PolarHBondContact O-N 3.05Å; L26-V29 PolarHBondContact O-N 2.78Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 2.85Å; V29-G31 VanDerWaalsContact C-N 3.31Å
30A41.1Very low41Very low75 Ų75110.7 Ų110.762%0.6263%0.633SS**Hα-helixtrans-78.3-10.8174.300000114L26 H27 V32L26-A30 PolarHBondContact O-N 3.28Å; H27-A30 PolarHBondContact O-N 3.29Å; A30-V32 PolarHBondContact O-N 2.84Å
31G36.4Very low41.4Very low59 Ų59113.2 Ų113.261%0.60865%0.647SS**THydrogen-bonded Turntrans-81.12.6-174.600000116.8H27 V29 T33H27-G31 PolarHBondContact O-N 3.21Å; V29-G31 VanDerWaalsContact C-N 3.31Å; G31-T33 VanDerWaalsContact C-N 3.33Å; G31-T33 PolarHBondContact O-N 2.82Å
32V38.1Very low42.3Very low130 Ų130108.8 Ų108.879%0.78863%0.631SS**  trans-96.744.5-175.8-1640000112.3A30A30-V32 PolarHBondContact O-N 2.84Å
33T37.4Very low44.1Very low111 Ų111108.3 Ų108.368%0.68164%0.636SS**SBendtrans-132.6108164.8480000109G31 K35G31-T33 VanDerWaalsContact C-N 3.33Å; G31-T33 PolarHBondContact O-N 2.82Å; T33-K35 PolarHBondContact O-N 2.88Å; T33-K35 VanDerWaalsContact O-N 3.15Å
34Q35.3Very low45.8Very low205 Ų205109.6 Ų109.696%0.95864%0.639SS**  trans-50115.3174.2-75.7170.2-45.400110.5
35K37.9Very low47.6Very low149 Ų149109.8 Ų109.865%0.64864%0.637SS**  trans-99.3123.6165.5-93.8-175175.9-1790110.1T33T33-K35 PolarHBondContact O-N 2.88Å; T33-K35 VanDerWaalsContact O-N 3.15Å
36P33.1Very low49.6Very low112 Ų112113.9 Ų113.973%0.72765%0.647SS**  trans-78.2137.1168.131.9-28.8000110
37N44.9Very low51.4Low158 Ų158111.5 Ų111.585%0.84564%0.643SS**  trans63.589.7164.8-58.6-16.4000117.6S39N37-S39 PolarHBondContact O-N 3.44Å
38Q40Very low53.3Low189 Ų189109.4 Ų109.488%0.88363%0.634SS**  trans-62.7115.8169.8-72.1170.9-23.400111.4
39S45.1Very low55.3Low54 Ų54108.3 Ų108.338%0.37862%0.622SS.*  trans-96.2136.7158.8110.60000108.4N37 N41 D42N37-S39 PolarHBondContact O-N 3.44Å; S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 PolarHBondContact OG-N 2.8Å; S39-D42 PolarHBondContact O-N 3Å; S39-D42 PolarHBondContact OG-OD1 2.84Å
40T54.4Low57.1Low141 Ų141106.7 Ų106.787%0.86561%0.607SS**THydrogen-bonded Turntrans-63.13179.326.70000114.9
41N54.9Low59Low141 Ų141105.7 Ų105.775%0.75460%0.599SS**THydrogen-bonded Turntrans-109.68-178.7-68.8-37.3000113.9S39S39-N41 PolarHBondContact O-N 3.15Å; S39-N41 PolarHBondContact OG-N 2.8Å
42D64.4Low61.4Low52 Ų52107 Ų10728%0.27859%0.592SS.*  trans-73.9126.8-175.4-69.66.7000110.2S39 I44 V45 K46S39-D42 PolarHBondContact O-N 3Å; S39-D42 PolarHBondContact OG-OD1 2.84Å; D42-I44 PolarHBondContact O-N 2.99Å; D42-V45 HydrophobicContact CB-CG2 4.17Å; D42-V45 PolarHBondContact O-N 2.69Å; D42-K46 PolarHBondContact O-N 3.33Å
43P75.6Confident63.8Low107 Ų107106.2 Ų106.270%0.69558%0.58SS**Hα-helixtrans-58.3-23.1-178.222.8-33.7000112.9A47P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 2.68Å
44I76.7Confident65.9Low80 Ų80108 Ų10841%0.4158%0.576SS.*Hα-helixtrans-69.3-47176.9-63.4164.9000110.9D42 K46 A47 E48D42-I44 PolarHBondContact O-N 2.99Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; I44-A47 WeakPolarHBondContact O-CB 3.4Å; I44-A47 PolarHBondContact O-N 3.42Å; I44-E48 HydrophobicContact CG2-CG 4.44Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.89Å
45V80.3Confident68.2Low63 Ų63103.8 Ų103.838%0.38256%0.556SS.*Hα-helixtrans-64.1-35.9178.31790000110.6D42 S49D42-V45 HydrophobicContact CB-CG2 4.17Å; D42-V45 PolarHBondContact O-N 2.69Å; V45-S49 WeakPolarHBondContact O-CB 3.49Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.87Å
46K80.8Confident70.7Confident145 Ų145102.3 Ų102.363%0.6355%0.551SS**Hα-helixtrans-64.7-42.3172.2-171176.1178.1-179.20111.9D42 I44 S49 M50D42-K46 PolarHBondContact O-N 3.33Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; K46-S49 WeakPolarHBondContact CA-OG 3.27Å; K46-S49 PolarHBondContact O-OG 3.45Å; K46-M50 VanDerWaalsContact O-CG 3.31Å; K46-M50 WeakPolarHBondContact O-CG 3.39Å; K46-M50 PolarHBondContact O-N 2.91Å
47A77.5Confident73.2Confident58 Ų58101.4 Ų101.448%0.47954%0.54SS..Hα-helixtrans-65.7-43.1176.800000112.2P43 I44 M50 A51P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 2.68Å; I44-A47 WeakPolarHBondContact O-CB 3.4Å; I44-A47 PolarHBondContact O-N 3.42Å; A47-M50 PolarHBondContact O-N 3.48Å; A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.5Å
48E80.6Confident75.1Confident79 Ų7997.3 Ų97.337%0.36952%0.521SS..Hα-helixtrans-62.8-46176.4-72.5173.2-179.700111.5I44 M50 A51 N52I44-E48 HydrophobicContact CG2-CG 4.44Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.89Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; E48-A51 PolarHBondContact O-N 2.94Å; E48-N52 WeakPolarHBondContact O-CB 3.19Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.39Å
49S83.6Confident77.4Confident51 Ų5192.1 Ų92.136%0.35750%0.502SS..Hα-helixtrans-62.6-38.8176.658.40000112.6V45 K46 Q53V45-S49 WeakPolarHBondContact O-CB 3.49Å; V45-S49 PolarHBondContact O-N 2.83Å; V45-S49 PolarHBondContact O-OG 2.87Å; K46-S49 WeakPolarHBondContact CA-OG 3.27Å; K46-S49 PolarHBondContact O-OG 3.45Å; S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-N 3.23Å
50M80.4Confident79.6Confident81 Ų8193.5 Ų93.540%0.39951%0.505SS..Hα-helixtrans-64.6-45.3173.5-74.3-177.962.500112.1K46 A47 E48 N52 Q53 Y54K46-M50 VanDerWaalsContact O-CG 3.31Å; K46-M50 WeakPolarHBondContact O-CG 3.39Å; K46-M50 PolarHBondContact O-N 2.91Å; A47-M50 PolarHBondContact O-N 3.48Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.91Å; M50-N52 VanDerWaalsContact C-N 3.33Å; M50-N52 PolarHBondContact O-N 3.43Å; M50-Q53 WeakPolarHBondContact O-CB 3.27Å; M50-Q53 PolarHBondContact O-N 3.45Å; M50-Y54 HydrophobicContact CB-CE2 4.49Å; M50-Y54 HydrophobicContact CE-CE2 4.28Å; M50-Y54 WeakPolarHBondContact O-CD2 3.47Å; M50-Y54 PolarHBondContact O-N 3.33Å; M50-Y54 VanDerWaalsContact O-N 3.08Å
51A81.3Confident81.1Confident55 Ų5589.4 Ų89.446%0.45548%0.482SS..Hα-helixtrans-59.8-43.5177.600000112A47 E48 Q53 Y54 E55A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.5Å; E48-A51 PolarHBondContact O-N 2.94Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.93Å; A51-Y54 PolarHBondContact O-N 3.32Å; A51-E55 PolarHBondContact O-N 2.92Å
52N88Confident82.7Confident85 Ų8586.8 Ų86.846%0.45547%0.467SS..Hα-helixtrans-63.3-38.6176.5-70.1-25.6000112.3E48 M50 E55 Q56E48-N52 WeakPolarHBondContact O-CB 3.19Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.39Å; M50-N52 VanDerWaalsContact C-N 3.33Å; M50-N52 PolarHBondContact O-N 3.43Å; N52-E55 PolarHBondContact O-N 2.85Å; N52-Q56 WeakPolarHBondContact O-CB 3.21Å; N52-Q56 VanDerWaalsContact O-CG 3.27Å; N52-Q56 WeakPolarHBondContact O-CG 3.38Å; N52-Q56 PolarHBondContact O-N 2.99Å
53Q87.5Confident84Confident115 Ų11587 Ų8754%0.53748%0.476SS..Hα-helixtrans-61.4-46.1174.3-75.1172.44.800111.3S49 M50 A51 E55 Q56 D57S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-N 3.23Å; M50-Q53 WeakPolarHBondContact O-CB 3.27Å; M50-Q53 PolarHBondContact O-N 3.45Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.93Å; Q53-E55 PolarHBondContact O-N 3.46Å; Q53-Q56 PolarHBondContact O-N 3.38Å; Q53-D57 PolarHBondContact O-N 2.91Å
54Y82Confident84.8Confident149 Ų14989.1 Ų89.158%0.58447%0.474SS*.Hα-helixtrans-63.5-40.7176.9-71.9-63.4000112.8M50 A51 Q56 D57 V58M50-Y54 HydrophobicContact CB-CE2 4.49Å; M50-Y54 HydrophobicContact CE-CE2 4.28Å; M50-Y54 WeakPolarHBondContact O-CD2 3.47Å; M50-Y54 PolarHBondContact O-N 3.33Å; M50-Y54 VanDerWaalsContact O-N 3.08Å; A51-Y54 PolarHBondContact O-N 3.32Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.38Å; Y54-D57 PolarHBondContact O-N 2.82Å; Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.46Å; Y54-V58 PolarHBondContact O-N 3.42Å
55E84.1Confident85.2Confident115 Ų11594.6 Ų94.654%0.53749%0.49SS..Hα-helixtrans-62.6-42.4175.9-175.3176.6-175.200111.4A51 N52 Q53 V58 T59A51-E55 PolarHBondContact O-N 2.92Å; N52-E55 PolarHBondContact O-N 2.85Å; Q53-E55 PolarHBondContact O-N 3.46Å; E55-V58 PolarHBondContact O-N 2.86Å; E55-T59 VanDerWaalsContact O-CB 3.31Å; E55-T59 WeakPolarHBondContact O-CB 3.38Å; E55-T59 PolarHBondContact O-N 3.27Å; E55-T59 PolarHBondContact O-OG1 3.48Å
56Q89.9Confident85.5Confident119 Ų11994.5 Ų94.556%0.55650%0.496SS*.Hα-helixtrans-62.2-44.1174.5-73.8176.912.400111.4N52 Q53 Y54 T59 N60N52-Q56 WeakPolarHBondContact O-CB 3.21Å; N52-Q56 VanDerWaalsContact O-CG 3.27Å; N52-Q56 WeakPolarHBondContact O-CG 3.38Å; N52-Q56 PolarHBondContact O-N 2.99Å; Q53-Q56 PolarHBondContact O-N 3.38Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-N 3.42Å; Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.41Å; Q56-N60 PolarHBondContact O-ND2 3.38Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å
57D85.2Confident85.8Confident92 Ų9294 Ų9449%0.49249%0.494SS..Hα-helixtrans-64.5-40.8178.9-77-17.4000112.7Q53 Y54 S61Q53-D57 PolarHBondContact O-N 2.91Å; Y54-D57 PolarHBondContact O-N 2.82Å; D57-S61 VanDerWaalsContact O-CB 3.3Å; D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.9Å; D57-S61 PolarHBondContact O-OG 3.47Å
58V84.1Confident86.2Confident73 Ų7392.5 Ų92.544%0.44248%0.481SS..Hα-helixtrans-64.3-47174.5171.10000110.3Y54 E55 N60 S61 I62Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.46Å; Y54-V58 PolarHBondContact O-N 3.42Å; E55-V58 PolarHBondContact O-N 2.86Å; V58-N60 PolarHBondContact O-N 2.91Å; V58-S61 WeakPolarHBondContact O-CB 3.41Å; V58-S61 PolarHBondContact O-N 3.31Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.33Å; V58-I62 PolarHBondContact O-N 2.95Å
59T89.1Confident86.2Confident79 Ų7992.2 Ų92.249%0.48548%0.482SS..Hα-helixtrans-62.7-43.7179.1-57.30000111.3E55 Q56 S61 I62 A63E55-T59 VanDerWaalsContact O-CB 3.31Å; E55-T59 WeakPolarHBondContact O-CB 3.38Å; E55-T59 PolarHBondContact O-N 3.27Å; E55-T59 PolarHBondContact O-OG1 3.48Å; Q56-T59 PolarHBondContact O-N 3.42Å; T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.37Å; T59-I62 PolarHBondContact O-N 2.91Å; T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.37Å
60N91.7Very high86.1Confident83 Ų8394.4 Ų94.444%0.44449%0.487SS..Hα-helixtrans-61.9-39.8175-73.1-26.6000111.4Q56 V58 A63 K64Q56-N60 WeakPolarHBondContact O-CB 3.34Å; Q56-N60 PolarHBondContact O-N 3.41Å; Q56-N60 PolarHBondContact O-ND2 3.38Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å; V58-N60 PolarHBondContact O-N 2.91Å; N60-A63 PolarHBondContact O-N 2.97Å; N60-K64 WeakPolarHBondContact O-CB 3.18Å; N60-K64 VanDerWaalsContact O-CG 3.24Å; N60-K64 WeakPolarHBondContact O-CG 3.25Å; N60-K64 PolarHBondContact O-N 3.36Å
61S86.2Confident86.3Confident55 Ų5596.2 Ų96.239%0.38550%0.497SS..Hα-helixtrans-65.8-45.6176.9-61.40000111.3D57 V58 T59 A63 K64 W65D57-S61 VanDerWaalsContact O-CB 3.3Å; D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.9Å; D57-S61 PolarHBondContact O-OG 3.47Å; V58-S61 WeakPolarHBondContact O-CB 3.41Å; V58-S61 PolarHBondContact O-N 3.31Å; T59-S61 VanDerWaalsContact C-N 3.31Å; T59-S61 PolarHBondContact O-N 3.37Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 3.3Å; S61-K64 PolarHBondContact O-N 2.98Å; S61-W65 PolarHBondContact O-N 2.92Å
62I88.5Confident86.1Confident87 Ų87102 Ų10245%0.44651%0.509SS..Hα-helixtrans-59.9-45175.4-67.1165.3000110.5V58 T59 K64 W65 A66V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.33Å; V58-I62 PolarHBondContact O-N 2.95Å; T59-I62 PolarHBondContact O-N 2.91Å; I62-K64 PolarHBondContact O-N 3.41Å; I62-W65 PolarHBondContact O-N 3.48Å; I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.28Å
63A90.7Very high85.3Confident55 Ų55102.1 Ų102.146%0.45550%0.503SS..Hα-helixtrans-63-40.9177.500000112.3T59 N60 S61 A66 K67T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.37Å; N60-A63 PolarHBondContact O-N 2.97Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 3.3Å; A63-A66 PolarHBondContact O-N 2.86Å; A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.49Å
64K92Very high84.5Confident152 Ų15298.2 Ų98.266%0.66149%0.494SS*.Hα-helixtrans-61.5-43173.7-75.9170.8-175.8176.30111.7N60 S61 I62 K67 A68N60-K64 WeakPolarHBondContact O-CB 3.18Å; N60-K64 VanDerWaalsContact O-CG 3.24Å; N60-K64 WeakPolarHBondContact O-CG 3.25Å; N60-K64 PolarHBondContact O-N 3.36Å; S61-K64 PolarHBondContact O-N 2.98Å; I62-K64 PolarHBondContact O-N 3.41Å; K64-K67 PolarHBondContact O-N 2.82Å; K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 2.96Å
65W86.6Confident84Confident195 Ų19597.2 Ų97.274%0.73950%0.499SS*.Hα-helixtrans-65.3-43.3176.4-79.6113.6000112.4S61 I62 K67 A68 D69S61-W65 PolarHBondContact O-N 2.92Å; I62-W65 PolarHBondContact O-N 3.48Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.39Å; W65-A68 PolarHBondContact O-N 3.39Å; W65-D69 PolarHBondContact O-N 2.9Å
66A85.7Confident83.1Confident61 Ų61100.7 Ų100.750%0.50452%0.515SS..Hα-helixtrans-60.4-44.8175.500000111.4I62 A63 A68 D69 E70I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 2.86Å; A66-A68 PolarHBondContact O-N 2.84Å; A66-D69 PolarHBondContact O-N 3.44Å; A66-E70 PolarHBondContact O-N 3.04Å
67K87.8Confident81.9Confident135 Ų13599.7 Ų99.759%0.58751%0.506SS*.Hα-helixtrans-64.2-38175.2-174.4173.5-177.7174.80112.5A63 K64 W65 E70 I71A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.49Å; K64-K67 PolarHBondContact O-N 2.82Å; W65-K67 VanDerWaalsContact C-N 3.34Å; W65-K67 PolarHBondContact O-N 3.39Å; K67-E70 PolarHBondContact O-N 3.09Å; K67-I71 HydrophobicContact CG-CD1 4.01Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.47Å; K67-I71 PolarHBondContact O-N 3.03Å
68A85.4Confident81.1Confident27 Ų2799.3 Ų99.322%0.22350%0.504CS..Hα-helixtrans-66.2-42.3175.500000111.5K64 W65 A66 E70 I71 Y72K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 2.96Å; W65-A68 PolarHBondContact O-N 3.39Å; A66-A68 PolarHBondContact O-N 2.84Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.41Å; A68-I71 PolarHBondContact O-N 3.02Å; A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CD2 3.3Å; A68-Y72 PolarHBondContact O-N 3.48Å
69D80.6Confident80.2Confident72 Ų7297.6 Ų97.639%0.38549%0.49SS..Hα-helixtrans-60.4-42.2175.5-15960000110.4R3 W65 A66 Y73R3-D69 IonicContact NH2-OD1 3.72Å; R3-D69 PolarHBondContact NH2-OD1 3.37Å; R3-D69 VanDerWaalsContact NH2-OD1 3.12Å; R3-D69 IonicContact NH2-OD2 2.78Å; W65-D69 PolarHBondContact O-N 2.9Å; A66-D69 PolarHBondContact O-N 3.44Å; D69-Y73 HydrophobicContact CB-CD2 4.44Å; D69-Y73 WeakPolarHBondContact O-CB 3.34Å; D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CD2 3.46Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.37Å
70E81.5Confident79.2Confident98 Ų9897.5 Ų97.546%0.45850%0.498SS..Hα-helixtrans-61.7-44.4172.6176.1171.9-150.300112.8A66 K67 A68 G74 N75A66-E70 PolarHBondContact O-N 3.04Å; K67-E70 PolarHBondContact O-N 3.09Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.41Å; E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 3.1Å; E70-N75 VanDerWaalsContact CG-OD1 3.28Å; E70-N75 WeakPolarHBondContact CG-OD1 3.33Å; E70-N75 PolarHBondContact OE1-ND2 3.45Å; E70-N75 PolarHBondContact OE1-OD1 2.97Å
71I84.1Confident78.3Confident119 Ų11999.1 Ų99.161%0.6151%0.507SS*.Hα-helixtrans-66.6-45180-70.2164.2000112K67 A68K67-I71 HydrophobicContact CG-CD1 4.01Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.47Å; K67-I71 PolarHBondContact O-N 3.03Å; A68-I71 PolarHBondContact O-N 3.02Å
72Y77.6Confident77.5Confident177 Ų177102.3 Ų102.369%0.69451%0.514SS*.Hα-helixtrans-83.9-31-172.7-73.6-65.8000113.5A68A68-Y72 HydrophobicContact CB-CD2 4.35Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CD2 3.3Å; A68-Y72 PolarHBondContact O-N 3.48Å
73Y70.5Confident76.8Confident86 Ų86102.2 Ų102.234%0.33752%0.518SS..Hα-helixtrans-111.1-30.1-176.1-53.4-66.3000112.4D69 R77 F79D69-Y73 HydrophobicContact CB-CD2 4.44Å; D69-Y73 WeakPolarHBondContact O-CB 3.34Å; D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CD2 3.46Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.37Å; Y73-R77 WeakPolarHBondContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CD 3.42Å; Y73-F79 AromaticContact CD1-CE1 3.92Å; Y73-F79 HydrophobicContact CD1-CE1 3.92Å; Y73-F79 AromaticContact CD1-CE2 3.9Å; Y73-F79 HydrophobicContact CD1-CE2 3.9Å; Y73-F79 AromaticContact CD1-CZ 3.22Å; Y73-F79 HydrophobicContact CD1-CZ 3.22Å; Y73-F79 AromaticContact CD2-CE2 3.93Å; Y73-F79 HydrophobicContact CD2-CE2 3.93Å; Y73-F79 AromaticContact CD2-CZ 3.63Å; Y73-F79 HydrophobicContact CD2-CZ 3.63Å; Y73-F79 AromaticContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE2 4.38Å; Y73-F79 AromaticContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE2-CE2 4.38Å; Y73-F79 AromaticContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CG-CE1 4.47Å; Y73-F79 AromaticContact CG-CE2 3.65Å; Y73-F79 HydrophobicContact CG-CE2 3.65Å; Y73-F79 AromaticContact CG-CZ 3.38Å; Y73-F79 HydrophobicContact CG-CZ 3.38Å; Y73-F79 AromaticContact CZ-CZ 3.55Å
74G70.8Confident75.9Confident33 Ų33102.5 Ų102.534%0.3452%0.515SS..  trans81.4148.9-175.600000111.9E70 E76 R77E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 3.1Å; G74-E76 PolarHBondContact O-N 2.91Å; G74-E76 VanDerWaalsContact O-N 3.07Å; G74-R77 PolarHBondContact O-N 3.25Å
75N71.9Confident74.8Confident129 Ų129103.6 Ų103.669%0.6952%0.52SS*.THydrogen-bonded Turntrans-61-20.4-177.6-71.6-12.7000113.9E70E70-N75 VanDerWaalsContact CG-OD1 3.28Å; E70-N75 WeakPolarHBondContact CG-OD1 3.33Å; E70-N75 PolarHBondContact OE1-ND2 3.45Å; E70-N75 PolarHBondContact OE1-OD1 2.97Å
76E66.1Low74.3Confident187 Ų187102.2 Ų102.287%0.87452%0.519SS*.THydrogen-bonded Turntrans-94.9-15-177-58.9-172.5174.300113.8G74 D78G74-E76 PolarHBondContact O-N 2.91Å; G74-E76 VanDerWaalsContact O-N 3.07Å; E76-D78 PolarHBondContact O-N 3.25Å
77R64.4Low73.8Confident98 Ų98106.6 Ų106.637%0.3753%0.533SS..  trans-90.887.1-173-165.6-176.7175.7-1792.5111.2Y73 G74 F82Y73-R77 WeakPolarHBondContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CD 3.42Å; G74-R77 PolarHBondContact O-N 3.25Å; R77-F82 HydrophobicContact CG-CB 4.05Å
78D67.7Low73.5Confident85 Ų85104.2 Ų104.246%0.45554%0.539SS..  trans-69.8135.6167.1-170.8-2.9000110.6E76 A80 N81 F82E76-D78 PolarHBondContact O-N 3.25Å; D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 PolarHBondContact OD1-N 3.46Å; D78-A80 WeakPolarHBondContact OD2-CB 3.38Å; D78-N81 HydrophobicContact CB-CB 4.39Å; D78-N81 PolarHBondContact O-N 2.92Å; D78-F82 WeakPolarHBondContact O-CA 3.36Å; D78-F82 WeakPolarHBondContact O-CB 3.29Å; D78-F82 PolarHBondContact O-N 3.39Å
79F64.8Low73Confident36 Ų36112.6 Ų112.616%0.15857%0.565CS.*THydrogen-bonded Turntrans-76.5-14174.6-70.6-105000112.9Y73 T84Y73-F79 AromaticContact CD1-CE1 3.92Å; Y73-F79 HydrophobicContact CD1-CE1 3.92Å; Y73-F79 AromaticContact CD1-CE2 3.9Å; Y73-F79 HydrophobicContact CD1-CE2 3.9Å; Y73-F79 AromaticContact CD1-CZ 3.22Å; Y73-F79 HydrophobicContact CD1-CZ 3.22Å; Y73-F79 AromaticContact CD2-CE2 3.93Å; Y73-F79 HydrophobicContact CD2-CE2 3.93Å; Y73-F79 AromaticContact CD2-CZ 3.63Å; Y73-F79 HydrophobicContact CD2-CZ 3.63Å; Y73-F79 AromaticContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE1 3.77Å; Y73-F79 HydrophobicContact CE1-CE2 4.38Å; Y73-F79 AromaticContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE1-CZ 3.32Å; Y73-F79 HydrophobicContact CE2-CE2 4.38Å; Y73-F79 AromaticContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CE2-CZ 3.7Å; Y73-F79 HydrophobicContact CG-CE1 4.47Å; Y73-F79 AromaticContact CG-CE2 3.65Å; Y73-F79 HydrophobicContact CG-CE2 3.65Å; Y73-F79 AromaticContact CG-CZ 3.38Å; Y73-F79 HydrophobicContact CG-CZ 3.38Å; Y73-F79 AromaticContact CZ-CZ 3.55Å; F79-T84 HydrophobicContact CD1-CG2 4.36Å; F79-T84 HydrophobicContact CE1-CG2 4Å
80A69.2Low72.9Confident77 Ų77114.2 Ų114.264%0.63658%0.58SS**THydrogen-bonded Turntrans-71.4-47.1168.600000110.7D78D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 3.18Å; D78-A80 PolarHBondContact OD1-N 3.46Å; D78-A80 WeakPolarHBondContact OD2-CB 3.38Å
81N71.6Confident73Confident118 Ų118116.7 Ų116.763%0.63159%0.592SS**THydrogen-bonded Turntrans-83.2-33.6-178.3-68.746.6000112.9D78D78-N81 HydrophobicContact CB-CB 4.39Å; D78-N81 PolarHBondContact O-N 2.92Å
82F70.7Confident73.1Confident122 Ų122115.9 Ų115.954%0.53559%0.594SS.*SBendtrans-128.272.5-177.3-56.9-74.7000111R77 D78 T84R77-F82 HydrophobicContact CG-CB 4.05Å; D78-F82 WeakPolarHBondContact O-CA 3.36Å; D78-F82 WeakPolarHBondContact O-CB 3.29Å; D78-F82 PolarHBondContact O-N 3.39Å; F82-T84 PolarHBondContact O-N 2.97Å
83P73.2Confident73.6Confident84 Ų84114.2 Ų114.255%0.54559%0.59SS.*PPolyproline II helixtrans-56.8144.9175.225.5-33.9000110F85P83-F85 PolarHBondContact O-N 2.83Å
84T70.9Confident74.5Confident62 Ų62112.9 Ų112.938%0.3859%0.591SS.*PPolyproline II helixtrans-56139.3173.143.40000109.9F79 F82 K86F79-T84 HydrophobicContact CD1-CG2 4.36Å; F79-T84 HydrophobicContact CE1-CG2 4Å; F82-T84 PolarHBondContact O-N 2.97Å; T84-K86 PolarHBondContact O-N 3.04Å; T84-K86 VanDerWaalsContact O-N 3.13Å
85F70Confident75.3Confident175 Ų175114.2 Ų114.277%0.76859%0.586SS**PPolyproline II helixtrans-55.8124.3176.969.7-88.3000108.1P83P83-F85 PolarHBondContact O-N 2.83Å
86K75.4Confident75.8Confident166 Ų166113.2 Ų113.272%0.72258%0.578SS**PPolyproline II helixtrans-102.1120.9173.2-66.7177.9-172.4166.70106.6T84 A88T84-K86 PolarHBondContact O-N 3.04Å; T84-K86 VanDerWaalsContact O-N 3.13Å; K86-A88 PolarHBondContact O-N 2.99Å
87L76.6Confident76.6Confident152 Ų152107.6 Ų107.680%0.79657%0.571SS**PPolyproline II helixtrans-58.6127.8165.7-72.3147.2000107.5R89L87-R89 PolarHBondContact O-N 3.05Å
88A81.5Confident77.6Confident86 Ų86108.1 Ų108.171%0.71159%0.585SS**PPolyproline II helixtrans-63.4128.8173.800000108.2K86 C90K86-A88 PolarHBondContact O-N 2.99Å; A88-C90 PolarHBondContact O-N 3.25Å
89R74.9Confident78.6Confident203 Ų203107.1 Ų107.177%0.76658%0.576SS**SBendtrans-61.6-28.9-179.5-77.1-172.1171.3175.6-7.3113.1L87 E172L87-R89 PolarHBondContact O-N 3.05Å; R89-E172 IonicContact NH2-OE1 2.9Å
90C78Confident79.8Confident105 Ų105107.7 Ų107.771%0.70958%0.584SS**SBendtrans-119.1142.1-177.4-59.70000110.6A88A88-C90 PolarHBondContact O-N 3.25Å
91H83.8Confident80.7Confident150 Ų150105.2 Ų105.269%0.69456%0.56SS**PPolyproline II helixtrans-62.8152.5170.568.276.9000110.6
92P84.9Confident81.6Confident102 Ų102102.9 Ų102.966%0.66255%0.553SS**PPolyproline II helixtrans-59.6150.8173.726.5-34.9000110.5V94P92-V94 WeakPolarHBondContact O-CG2 3.38Å; P92-V94 PolarHBondContact O-N 2.84Å
93K88.8Confident82.5Confident142 Ų142100.7 Ų100.762%0.61754%0.541SS*.PPolyproline II helixtrans-58.5128.1-177.9-174.5175-179.1175.40111D101K93-D101 HydrophobicContact CB-CB 4.23Å; K93-D101 VanDerWaalsContact O-CB 3.26Å; K93-D101 WeakPolarHBondContact O-CB 3.23Å; K93-D101 PolarHBondContact O-N 3.46Å
94V89.9Confident83.4Confident58 Ų5896.7 Ų96.735%0.35252%0.515SS..EExtended strand (participates in β ladder)trans-114135.9176.4-176.30000109P92 G97 F99P92-V94 WeakPolarHBondContact O-CG2 3.38Å; P92-V94 PolarHBondContact O-N 2.84Å; V94-G97 WeakPolarHBondContact CG1-O 3.47Å; V94-F99 WeakPolarHBondContact CG1-O 3.4Å
95R86.5Confident84.2Confident61 Ų61101.1 Ų101.123%0.2353%0.525CS..EExtended strand (participates in β ladder)trans-106.4144.9174.7-58.9-175.2-174-147.11.3109.3G97 F99 D101 F104 Y108 Y117R95-G97 PolarHBondContact O-N 2.99Å; R95-G97 VanDerWaalsContact O-N 3.1Å; R95-F99 PolarHBondContact N-O 2.84Å; R95-F99 PolarHBondContact O-N 3.22Å; R95-F99 VanDerWaalsContact O-N 3.11Å; R95-D101 IonicContact CZ-OD1 2.84Å; R95-D101 VanDerWaalsContact CZ-OD1 3.24Å; R95-D101 IonicContact NE-OD1 3.27Å; R95-D101 PolarHBondContact NE-OD1 3.32Å; R95-D101 IonicContact NH2-OD1 3.82Å; R95-D101 PolarHBondContact NH2-OD1 2.86Å; R95-F104 HydrophobicContact CB-CE2 3.78Å; R95-F104 HydrophobicContact CB-CZ 3.79Å; R95-F104 HydrophobicContact CG-CE2 4.2Å; R95-F104 HydrophobicContact CG-CZ 4.42Å; R95-Y108 PolarHBondContact NH1-OH 3.48Å; R95-Y108 VanDerWaalsContact NH1-OH 3.14Å; R95-Y108 PolarHBondContact NH2-OH 3.2Å; R95-Y117 PolarHBondContact NH1-OH 2.86Å
96M83.5Confident85.1Confident108 Ų10897 Ų9753%0.53252%0.515SS..THydrogen-bonded Turntrans57.719.1-178.1-52.3-175.3-7900114.5V98 F99 F104 Y117M96-V98 PolarHBondContact O-N 2.86Å; M96-F99 HydrophobicContact CE-CD2 3.66Å; M96-F99 HydrophobicContact CE-CE2 4.3Å; M96-F99 HydrophobicContact CE-CG 4.46Å; M96-F104 HydrophobicContact CE-CE1 4.26Å; M96-F104 HydrophobicContact CE-CZ 3.68Å; M96-Y117 HydrophobicContact CE-CD1 4.28Å; M96-Y117 HydrophobicContact CE-CE1 4.27Å; M96-Y117 HydrophobicContact SD-CD1 4.31Å; M96-Y117 HydrophobicContact SD-CE1 4.29Å
97G81.5Confident85.8Confident70 Ų7091.4 Ų91.472%0.72249%0.491SS*.THydrogen-bonded Turntrans75.7-24.4-178.700000115.5V94 R95V94-G97 WeakPolarHBondContact CG1-O 3.47Å; R95-G97 PolarHBondContact O-N 2.99Å; R95-G97 VanDerWaalsContact O-N 3.1Å
98V85.6Confident86.4Confident109 Ų10987.1 Ų87.166%0.66147%0.465SS*.THydrogen-bonded Turntrans-111.9-37.7-173.1-177.70000113.2M96M96-V98 PolarHBondContact O-N 2.86Å
99F88.6Confident86.8Confident63 Ų6389.9 Ų89.928%0.27647%0.468SS..EExtended strand (participates in β ladder)trans-98.5118.4-168.5-62.8-73.8000111.5V94 R95 M96 W103 F104 M120V94-F99 WeakPolarHBondContact CG1-O 3.4Å; R95-F99 PolarHBondContact N-O 2.84Å; R95-F99 PolarHBondContact O-N 3.22Å; R95-F99 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact CE-CD2 3.66Å; M96-F99 HydrophobicContact CE-CE2 4.3Å; M96-F99 HydrophobicContact CE-CG 4.46Å; F99-W103 HydrophobicContact CD1-CD2 4.44Å; F99-W103 HydrophobicContact CD1-CE3 4.43Å; F99-F104 HydrophobicContact CB-CE2 3.5Å; F99-F104 VanDerWaalsContact CB-CE2 3.5Å; F99-F104 HydrophobicContact CB-CZ 3.98Å; F99-M120 HydrophobicContact CD1-CE 3.63Å; F99-M120 HydrophobicContact CD2-CE 3.9Å; F99-M120 HydrophobicContact CE1-CE 3.1Å; F99-M120 HydrophobicContact CE2-CE 3.4Å; F99-M120 HydrophobicContact CG-CE 4.02Å; F99-M120 HydrophobicContact CZ-CE 2.99Å
100P90.8Very high87.5Confident48 Ų4889 Ų8931%0.31247%0.47SS..EExtended strand (participates in β ladder)trans-66.2148176.329.6-34.9000109.9S102 W103 F104P100-S102 WeakPolarHBondContact CB-OG 3.25Å; P100-S102 PolarHBondContact O-N 3.04Å; P100-W103 HydrophobicContact CG-CB 4.36Å; P100-W103 WeakPolarHBondContact O-CB 3.38Å; P100-W103 PolarHBondContact O-N 3.35Å; P100-F104 WeakPolarHBondContact O-CD2 3.39Å
101D88.8Confident88.1Confident25 Ų2587.5 Ų87.513%0.13446%0.457CS..Hα-helixtrans-58-25.3179.1-170.372.3000112K93 R95 W103 F104 R105K93-D101 HydrophobicContact CB-CB 4.23Å; K93-D101 VanDerWaalsContact O-CB 3.26Å; K93-D101 WeakPolarHBondContact O-CB 3.23Å; K93-D101 PolarHBondContact O-N 3.46Å; R95-D101 IonicContact CZ-OD1 2.84Å; R95-D101 VanDerWaalsContact CZ-OD1 3.24Å; R95-D101 IonicContact NE-OD1 3.27Å; R95-D101 PolarHBondContact NE-OD1 3.32Å; R95-D101 IonicContact NH2-OD1 3.82Å; R95-D101 PolarHBondContact NH2-OD1 2.86Å; D101-W103 VanDerWaalsContact C-N 3.27Å; D101-W103 PolarHBondContact O-N 3.49Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.31Å; D101-R105 IonicContact OD2-NE 3.94Å; D101-R105 IonicContact OD2-NH2 3.24Å
102S90.1Very high88.4Confident69 Ų6981.9 Ų81.948%0.48344%0.44SS..Hα-helixtrans-58.2-33.7172.856.50000113.8P100 F104 R105 P106P100-S102 WeakPolarHBondContact CB-OG 3.25Å; P100-S102 PolarHBondContact O-N 3.04Å; S102-F104 VanDerWaalsContact C-N 3.32Å; S102-R105 PolarHBondContact O-N 3.45Å; S102-P106 WeakPolarHBondContact O-CD 3.4Å
103W90.1Very high88.6Confident77 Ų7781.6 Ų81.629%0.29244%0.436SS..Hα-helixtrans-71.5-27.3177.3-176.686.6000112.4F99 P100 D101 P106 F107 P116 F119 M120F99-W103 HydrophobicContact CD1-CD2 4.44Å; F99-W103 HydrophobicContact CD1-CE3 4.43Å; P100-W103 HydrophobicContact CG-CB 4.36Å; P100-W103 WeakPolarHBondContact O-CB 3.38Å; P100-W103 PolarHBondContact O-N 3.35Å; D101-W103 VanDerWaalsContact C-N 3.27Å; D101-W103 PolarHBondContact O-N 3.49Å; W103-P106 WeakPolarHBondContact O-CD 3.5Å; W103-F107 HydrophobicContact CD2-CE2 4.38Å; W103-F107 HydrophobicContact CE3-CE2 4.45Å; W103-F107 AromaticContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CZ 4.26Å; W103-F107 AromaticContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CZ 4.13Å; W103-F107 HydrophobicContact CZ3-CE2 4.24Å; W103-F107 WeakPolarHBondContact O-CD2 3.47Å; W103-P116 HydrophobicContact CZ3-CB 3.81Å; W103-F119 AromaticContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CE1 4.22Å; W103-F119 AromaticContact CZ2-CD1 3.87Å; W103-F119 HydrophobicContact CZ2-CD1 3.87Å; W103-F119 AromaticContact CZ2-CE1 3.89Å; W103-F119 HydrophobicContact CZ2-CE1 3.89Å; W103-M120 HydrophobicContact CH2-CE 3.58Å; W103-M120 HydrophobicContact CH2-CG 3.88Å; W103-M120 HydrophobicContact CH2-SD 3.62Å; W103-M120 HydrophobicContact CZ2-CE 3.97Å; W103-M120 HydrophobicContact CZ2-SD 4.13Å; W103-M120 HydrophobicContact CZ3-CE 3.95Å; W103-M120 HydrophobicContact CZ3-CG 4.24Å; W103-M120 HydrophobicContact CZ3-SD 4.39Å
104F90.5Very high88.8Confident0 Ų078.9 Ų78.90%043%0.431CS..Hα-helixtrans-78.8-28.1177.5-66.4-105.7000112.5R95 M96 F99 P100 D101 S102 F107 Y108 P116 Y117R95-F104 HydrophobicContact CB-CE2 3.78Å; R95-F104 HydrophobicContact CB-CZ 3.79Å; R95-F104 HydrophobicContact CG-CE2 4.2Å; R95-F104 HydrophobicContact CG-CZ 4.42Å; M96-F104 HydrophobicContact CE-CE1 4.26Å; M96-F104 HydrophobicContact CE-CZ 3.68Å; F99-F104 HydrophobicContact CB-CE2 3.5Å; F99-F104 VanDerWaalsContact CB-CE2 3.5Å; F99-F104 HydrophobicContact CB-CZ 3.98Å; P100-F104 WeakPolarHBondContact O-CD2 3.39Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; S102-F104 VanDerWaalsContact C-N 3.32Å; F104-F107 PolarHBondContact O-N 2.89Å; F104-Y108 HydrophobicContact CB-CE1 4.11Å; F104-Y108 HydrophobicContact CB-CE2 4.17Å; F104-Y108 WeakPolarHBondContact CB-OH 3.49Å; F104-Y108 PolarHBondContact O-N 2.9Å; F104-P116 HydrophobicContact CB-CG 4.1Å; F104-P116 HydrophobicContact CD1-CB 3.23Å; F104-P116 HydrophobicContact CD1-CG 3.52Å; F104-P116 HydrophobicContact CE1-CB 3.55Å; F104-P116 HydrophobicContact CE1-CG 4.33Å; F104-P116 HydrophobicContact CG-CB 4.1Å; F104-P116 HydrophobicContact CG-CG 4.16Å; F104-Y117 HydrophobicContact CE1-CD1 4.3Å; F104-Y117 AromaticContact CE1-CE1 3.79Å; F104-Y117 HydrophobicContact CE1-CE1 3.79Å; F104-Y117 AromaticContact CE1-CZ 3.97Å; F104-Y117 HydrophobicContact CZ-CE1 4.45Å
105R88.4Confident88.8Confident155 Ų15576.4 Ų76.459%0.58542%0.418SS*.Hα-helixtrans-55.8-44-173.6-70175.1-169177.5-1114.3D101 S102 F107 Y108D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.31Å; D101-R105 IonicContact OD2-NE 3.94Å; D101-R105 IonicContact OD2-NH2 3.24Å; S102-R105 PolarHBondContact O-N 3.45Å; R105-F107 VanDerWaalsContact C-N 3.29Å; R105-F107 PolarHBondContact O-N 3.33Å; R105-Y108 PolarHBondContact O-N 3.11Å
106P89Confident89.1Confident87 Ų8773.5 Ų73.557%0.56541%0.407SS*.Hα-helixtrans-61.5-34.9180-25.235.6000113.7S102 W103S102-P106 WeakPolarHBondContact O-CD 3.4Å; W103-P106 WeakPolarHBondContact O-CD 3.5Å
107F89.6Confident89.5Confident49 Ų4972.9 Ų72.922%0.21540%0.399CS..Hα-helixtrans-73.3-27.2-178.2-71.1-83.4000113.4W103 F104 R105 N109 K110 T111 G112 P116 F119W103-F107 HydrophobicContact CD2-CE2 4.38Å; W103-F107 HydrophobicContact CE3-CE2 4.45Å; W103-F107 AromaticContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CE2 3.88Å; W103-F107 HydrophobicContact CH2-CZ 4.26Å; W103-F107 AromaticContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CE2 3.79Å; W103-F107 HydrophobicContact CZ2-CZ 4.13Å; W103-F107 HydrophobicContact CZ3-CE2 4.24Å; W103-F107 WeakPolarHBondContact O-CD2 3.47Å; F104-F107 PolarHBondContact O-N 2.89Å; R105-F107 VanDerWaalsContact C-N 3.29Å; R105-F107 PolarHBondContact O-N 3.33Å; F107-N109 PolarHBondContact O-N 3.49Å; F107-K110 PolarHBondContact O-N 3.31Å; F107-K110 VanDerWaalsContact O-N 3.07Å; F107-T111 PolarHBondContact O-N 3.12Å; F107-T111 PolarHBondContact O-OG1 3.33Å; F107-G112 PolarHBondContact O-N 3.04Å; F107-P116 HydrophobicContact CB-CG 3.47Å; F107-P116 VanDerWaalsContact CB-CG 3.47Å; F107-P116 HydrophobicContact CD2-CB 4.34Å; F107-P116 HydrophobicContact CD2-CG 3.87Å; F107-P116 HydrophobicContact CG-CG 3.78Å; F107-F119 HydrophobicContact CE1-CB 4.13Å; F107-F119 HydrophobicContact CE1-CD2 4.22Å; F107-F119 HydrophobicContact CE1-CG 4.1Å; F107-F119 HydrophobicContact CZ-CB 4.36Å; F107-F119 HydrophobicContact CZ-CD1 4.19Å; F107-F119 HydrophobicContact CZ-CD2 4.32Å; F107-F119 HydrophobicContact CZ-CG 4.01Å
108Y90.5Very high90Very high62 Ų6275.7 Ų75.724%0.24340%0.395CS..Hα-helixtrans-60.6-33-178.3-65.7-26.3000112.6R95 F104 R105 K110 V113 P116R95-Y108 PolarHBondContact NH1-OH 3.48Å; R95-Y108 VanDerWaalsContact NH1-OH 3.14Å; R95-Y108 PolarHBondContact NH2-OH 3.2Å; F104-Y108 HydrophobicContact CB-CE1 4.11Å; F104-Y108 HydrophobicContact CB-CE2 4.17Å; F104-Y108 WeakPolarHBondContact CB-OH 3.49Å; F104-Y108 PolarHBondContact O-N 2.9Å; R105-Y108 PolarHBondContact O-N 3.11Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.88Å; Y108-V113 HydrophobicContact CD1-CG1 4.14Å; Y108-V113 HydrophobicContact CE1-CB 4.21Å; Y108-V113 HydrophobicContact CE1-CG1 3.96Å; Y108-P116 HydrophobicContact CE1-CG 4.35Å
109N89.4Confident90.3Very high145 Ų14575.2 Ų75.278%0.77538%0.384SS*.Hα-helixtrans-72.9-19.1179.1-68.3-11.2000113.7F107F107-N109 PolarHBondContact O-N 3.49Å
110K89.8Confident90.4Very high185 Ų18574.6 Ų74.680%0.80438%0.383SS*.Hα-helixtrans-115.8-41.5-172.5-63.1-61.6-173.8-178.30113.6F107 Y108F107-K110 PolarHBondContact O-N 3.31Å; F107-K110 VanDerWaalsContact O-N 3.07Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.88Å
111T89Confident90.4Very high72 Ų7278.8 Ų78.844%0.44240%0.397SS..Hα-helixtrans-125.84.9-167.147.10000112.8F107 G115F107-T111 PolarHBondContact O-N 3.12Å; F107-T111 PolarHBondContact O-OG1 3.33Å; T111-G115 PolarHBondContact O-N 3.34Å; T111-G115 VanDerWaalsContact OG1-CA 3.3Å; T111-G115 WeakPolarHBondContact OG1-CA 3.44Å
112G90.9Very high90.7Very high32 Ų3279.4 Ų79.433%0.3341%0.408SS..THydrogen-bonded Turntrans66.2-167.2-176.100000113.3F107 T114 G115F107-G112 PolarHBondContact O-N 3.04Å; G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.34Å; G112-G115 PolarHBondContact O-N 2.87Å
113V90Very high90.8Very high96 Ų9678 Ų7858%0.58240%0.398SS*.THydrogen-bonded Turntrans-69.3-22.6-177.1-65.20000113.8Y108 Y117Y108-V113 HydrophobicContact CD1-CG1 4.14Å; Y108-V113 HydrophobicContact CE1-CB 4.21Å; Y108-V113 HydrophobicContact CE1-CG1 3.96Å; V113-Y117 WeakPolarHBondContact O-CD2 3.27Å; V113-Y117 WeakPolarHBondContact O-CE2 3.27Å
114T91.6Very high90.8Very high85 Ų8578.3 Ų78.352%0.52140%0.402SS..THydrogen-bonded Turntrans-79.8-23.8178.151.40000112.4G112 Y117 M118G112-T114 VanDerWaalsContact C-N 3.26Å; G112-T114 PolarHBondContact O-N 3.34Å; T114-Y117 PolarHBondContact O-N 3.47Å; T114-Y117 VanDerWaalsContact O-N 3.13Å; T114-M118 WeakPolarHBondContact O-CG 3.38Å; T114-M118 PolarHBondContact O-N 2.94Å
115G90.8Very high90.8Very high7 Ų783.2 Ų83.27%0.07243%0.426CS..Hα-helixtrans-49.1-56.5-177.700000115.4T111 G112 Y117 M118 F119T111-G115 PolarHBondContact O-N 3.34Å; T111-G115 VanDerWaalsContact OG1-CA 3.3Å; T111-G115 WeakPolarHBondContact OG1-CA 3.44Å; G112-G115 PolarHBondContact O-N 2.87Å; G115-Y117 VanDerWaalsContact C-N 3.29Å; G115-Y117 PolarHBondContact O-N 3.34Å; G115-M118 PolarHBondContact O-N 3.49Å; G115-F119 WeakPolarHBondContact O-CB 3.43Å; G115-F119 PolarHBondContact O-N 3.42Å
116P92.3Very high91Very high0 Ų081.3 Ų81.30%042%0.422CS..Hα-helixtrans-57.2-40.6177.8-28.938.1000113.3W103 F104 F107 Y108 F119 M120W103-P116 HydrophobicContact CZ3-CB 3.81Å; F104-P116 HydrophobicContact CB-CG 4.1Å; F104-P116 HydrophobicContact CD1-CB 3.23Å; F104-P116 HydrophobicContact CD1-CG 3.52Å; F104-P116 HydrophobicContact CE1-CB 3.55Å; F104-P116 HydrophobicContact CE1-CG 4.33Å; F104-P116 HydrophobicContact CG-CB 4.1Å; F104-P116 HydrophobicContact CG-CG 4.16Å; F107-P116 HydrophobicContact CB-CG 3.47Å; F107-P116 VanDerWaalsContact CB-CG 3.47Å; F107-P116 HydrophobicContact CD2-CB 4.34Å; F107-P116 HydrophobicContact CD2-CG 3.87Å; F107-P116 HydrophobicContact CG-CG 3.78Å; Y108-P116 HydrophobicContact CE1-CG 4.35Å; P116-F119 PolarHBondContact O-N 3.47Å; P116-M120 VanDerWaalsContact O-CG 3.31Å; P116-M120 WeakPolarHBondContact O-CG 3.39Å; P116-M120 PolarHBondContact O-N 2.95Å
117Y92.2Very high91.2Very high95 Ų9580 Ų8037%0.37341%0.41SS..Hα-helixtrans-70.7-41.3-179-55.7-69.6000111.4R95 M96 F104 V113 T114 G115 M120 F121R95-Y117 PolarHBondContact NH1-OH 2.86Å; M96-Y117 HydrophobicContact CE-CD1 4.28Å; M96-Y117 HydrophobicContact CE-CE1 4.27Å; M96-Y117 HydrophobicContact SD-CD1 4.31Å; M96-Y117 HydrophobicContact SD-CE1 4.29Å; F104-Y117 HydrophobicContact CE1-CD1 4.3Å; F104-Y117 AromaticContact CE1-CE1 3.79Å; F104-Y117 HydrophobicContact CE1-CE1 3.79Å; F104-Y117 AromaticContact CE1-CZ 3.97Å; F104-Y117 HydrophobicContact CZ-CE1 4.45Å; V113-Y117 WeakPolarHBondContact O-CD2 3.27Å; V113-Y117 WeakPolarHBondContact O-CE2 3.27Å; T114-Y117 PolarHBondContact O-N 3.47Å; T114-Y117 VanDerWaalsContact O-N 3.13Å; G115-Y117 VanDerWaalsContact C-N 3.29Å; G115-Y117 PolarHBondContact O-N 3.34Å; Y117-M120 PolarHBondContact O-N 3.36Å; Y117-F121 WeakPolarHBondContact O-CB 3.36Å; Y117-F121 PolarHBondContact O-N 2.78Å
118M91.8Very high91.1Very high128 Ų12879.8 Ų79.863%0.63141%0.411SS*.Hα-helixtrans-66-37.9174.7-72.7-63-170.800112T114 G115 F121 G122T114-M118 WeakPolarHBondContact O-CG 3.38Å; T114-M118 PolarHBondContact O-N 2.94Å; G115-M118 PolarHBondContact O-N 3.49Å; M118-F121 PolarHBondContact O-N 3.27Å; M118-G122 PolarHBondContact O-N 2.75Å
119F92Very high91.2Very high100 Ų10083.3 Ų83.344%0.43943%0.434SS..Hα-helixtrans-61.2-45.4174.1175.1-91.7000111.3W103 F107 G115 P116 S123W103-F119 AromaticContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CD1 3.74Å; W103-F119 HydrophobicContact CH2-CE1 4.22Å; W103-F119 AromaticContact CZ2-CD1 3.87Å; W103-F119 HydrophobicContact CZ2-CD1 3.87Å; W103-F119 AromaticContact CZ2-CE1 3.89Å; W103-F119 HydrophobicContact CZ2-CE1 3.89Å; F107-F119 HydrophobicContact CE1-CB 4.13Å; F107-F119 HydrophobicContact CE1-CD2 4.22Å; F107-F119 HydrophobicContact CE1-CG 4.1Å; F107-F119 HydrophobicContact CZ-CB 4.36Å; F107-F119 HydrophobicContact CZ-CD1 4.19Å; F107-F119 HydrophobicContact CZ-CD2 4.32Å; F107-F119 HydrophobicContact CZ-CG 4.01Å; G115-F119 WeakPolarHBondContact O-CB 3.43Å; G115-F119 PolarHBondContact O-N 3.42Å; P116-F119 PolarHBondContact O-N 3.47Å; F119-S123 VanDerWaalsContact O-CB 3.25Å; F119-S123 WeakPolarHBondContact O-CB 3.47Å; F119-S123 PolarHBondContact O-N 3.27Å; F119-S123 PolarHBondContact O-OG 3.35Å
120M90.4Very high91.3Very high49 Ų4982.8 Ų82.824%0.24143%0.425CS..Hα-helixtrans-65.8-44.4177.6-68.6-51.3-138.500112.4F99 W103 P116 Y117 S123 F124F99-M120 HydrophobicContact CD1-CE 3.63Å; F99-M120 HydrophobicContact CD2-CE 3.9Å; F99-M120 HydrophobicContact CE1-CE 3.1Å; F99-M120 HydrophobicContact CE2-CE 3.4Å; F99-M120 HydrophobicContact CG-CE 4.02Å; F99-M120 HydrophobicContact CZ-CE 2.99Å; W103-M120 HydrophobicContact CH2-CE 3.58Å; W103-M120 HydrophobicContact CH2-CG 3.88Å; W103-M120 HydrophobicContact CH2-SD 3.62Å; W103-M120 HydrophobicContact CZ2-CE 3.97Å; W103-M120 HydrophobicContact CZ2-SD 4.13Å; W103-M120 HydrophobicContact CZ3-CE 3.95Å; W103-M120 HydrophobicContact CZ3-CG 4.24Å; W103-M120 HydrophobicContact CZ3-SD 4.39Å; P116-M120 VanDerWaalsContact O-CG 3.31Å; P116-M120 WeakPolarHBondContact O-CG 3.39Å; P116-M120 PolarHBondContact O-N 2.95Å; Y117-M120 PolarHBondContact O-N 3.36Å; M120-S123 PolarHBondContact O-N 2.63Å; M120-F124 VanDerWaalsContact O-CB 3.28Å; M120-F124 WeakPolarHBondContact O-CB 3.41Å; M120-F124 PolarHBondContact O-N 2.96Å
121F92.1Very high91.2Very high137 Ų13780.6 Ų80.660%0.60142%0.418SS*.Hα-helixtrans-62.9-44.5176.7-178.4-101.6000112Y117 M118 F124 M125Y117-F121 WeakPolarHBondContact O-CB 3.36Å; Y117-F121 PolarHBondContact O-N 2.78Å; M118-F121 PolarHBondContact O-N 3.27Å; F121-F124 PolarHBondContact O-N 3.35Å; F121-M125 WeakPolarHBondContact O-CB 3.37Å; F121-M125 PolarHBondContact O-N 2.99Å
122G93.4Very high91Very high37 Ų3782.3 Ų82.338%0.38142%0.423SS..Hα-helixtrans-64.9-41176.600000112.7M118 M125 F126M118-G122 PolarHBondContact O-N 2.75Å; G122-M125 PolarHBondContact O-N 3.29Å; G122-F126 VanDerWaalsContact O-CB 3.27Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 3.19Å
123S91.9Very high90.6Very high39 Ų3984.8 Ų84.827%0.27342%0.422SS..Hα-helixtrans-64.9-41.5175.2-59.10000111.5F119 M120 F126 L127F119-S123 VanDerWaalsContact O-CB 3.25Å; F119-S123 WeakPolarHBondContact O-CB 3.47Å; F119-S123 PolarHBondContact O-N 3.27Å; F119-S123 PolarHBondContact O-OG 3.35Å; M120-S123 PolarHBondContact O-N 2.63Å; S123-F126 PolarHBondContact O-N 3.46Å; S123-L127 WeakPolarHBondContact O-CD1 3.32Å; S123-L127 VanDerWaalsContact O-CG 3.26Å; S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 2.96Å
124F90.1Very high90.2Very high85 Ų8584.9 Ų84.937%0.37342%0.419SS..Hα-helixtrans-61.6-47.4174.8179.8-98.6000111.8M120 F121 F126 L127 I128 W133M120-F124 VanDerWaalsContact O-CB 3.28Å; M120-F124 WeakPolarHBondContact O-CB 3.41Å; M120-F124 PolarHBondContact O-N 2.96Å; F121-F124 PolarHBondContact O-N 3.35Å; F124-F126 VanDerWaalsContact C-N 3.32Å; F124-F126 PolarHBondContact O-N 2.92Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 3.01Å; F124-I128 HydrophobicContact CD1-CD1 3.9Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CZ-CD1 3.77Å; F124-I128 PolarHBondContact O-N 3.32Å; F124-W133 HydrophobicContact CD2-CE3 4.17Å; F124-W133 AromaticContact CD2-CZ3 3.66Å; F124-W133 HydrophobicContact CD2-CZ3 3.66Å; F124-W133 AromaticContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CH2 4.01Å; F124-W133 AromaticContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CZ-CZ3 4.47Å
125M91.8Very high89.7Confident102 Ų10286.4 Ų86.450%0.50242%0.418SS..Hα-helixtrans-65.4-36.6177.2-165.466.2-166.800112.2F121 G122 I128 N129F121-M125 WeakPolarHBondContact O-CB 3.37Å; F121-M125 PolarHBondContact O-N 2.99Å; G122-M125 PolarHBondContact O-N 3.29Å; M125-I128 PolarHBondContact O-N 3.01Å; M125-N129 WeakPolarHBondContact O-CB 3.27Å; M125-N129 PolarHBondContact O-N 3.44Å
126F93.2Very high89.3Confident115 Ų11591.2 Ų91.250%0.50444%0.442SS..Hα-helixtrans-62.3-43.5174.2173.4-97.4000112G122 S123 F124 I128 N129 K130 I132G122-F126 VanDerWaalsContact O-CB 3.27Å; G122-F126 WeakPolarHBondContact O-CB 3.2Å; G122-F126 PolarHBondContact O-N 3.19Å; S123-F126 PolarHBondContact O-N 3.46Å; F124-F126 VanDerWaalsContact C-N 3.32Å; F124-F126 PolarHBondContact O-N 2.92Å; F126-I128 VanDerWaalsContact C-N 3.3Å; F126-I128 PolarHBondContact O-N 3Å; F126-N129 PolarHBondContact O-N 3.33Å; F126-K130 HydrophobicContact CD2-CG 4.2Å; F126-K130 HydrophobicContact CE1-CG 4.34Å; F126-K130 HydrophobicContact CE2-CG 3.71Å; F126-K130 HydrophobicContact CZ-CG 3.79Å; F126-K130 WeakPolarHBondContact O-CB 3.48Å; F126-K130 PolarHBondContact O-N 3.07Å; F126-I132 HydrophobicContact CE1-CD1 4.3Å
127L91.6Very high88.9Confident59 Ų5993.8 Ų93.831%0.30947%0.469SS..Hα-helixtrans-60.3-39.2177-72.7160.9000112.3S123 F124 E131 I132 W133S123-L127 WeakPolarHBondContact O-CD1 3.32Å; S123-L127 VanDerWaalsContact O-CG 3.26Å; S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 2.96Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 3.01Å; L127-E131 PolarHBondContact O-N 3.29Å; L127-I132 HydrophobicContact CD2-CB 3.98Å; L127-I132 HydrophobicContact CD2-CD1 4.27Å; L127-I132 HydrophobicContact CD2-CG2 3.75Å; L127-I132 PolarHBondContact O-N 2.91Å; L127-I132 VanDerWaalsContact O-N 3.1Å; L127-W133 HydrophobicContact CB-CB 4.37Å; L127-W133 PolarHBondContact O-N 3.42Å
128I89.1Confident88.5Confident46 Ų4695.1 Ų95.124%0.23648%0.478CS..Hα-helixtrans-67.8-50.2175.5-68.6169000110.8F124 M125 F126 K130 E131 F135F124-I128 HydrophobicContact CD1-CD1 3.9Å; F124-I128 HydrophobicContact CE1-CD1 3.4Å; F124-I128 VanDerWaalsContact CE1-CD1 3.4Å; F124-I128 HydrophobicContact CZ-CD1 3.77Å; F124-I128 PolarHBondContact O-N 3.32Å; M125-I128 PolarHBondContact O-N 3.01Å; F126-I128 VanDerWaalsContact C-N 3.3Å; F126-I128 PolarHBondContact O-N 3Å; I128-K130 VanDerWaalsContact C-N 3.25Å; I128-K130 PolarHBondContact O-N 3.21Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-E131 VanDerWaalsContact O-N 3.1Å; I128-F135 HydrophobicContact CB-CE2 4.5Å; I128-F135 HydrophobicContact CD1-CE2 4.16Å; I128-F135 HydrophobicContact CD1-CZ 3.87Å; I128-F135 HydrophobicContact CG1-CE2 3.92Å; I128-F135 HydrophobicContact CG1-CZ 3.99Å; I128-F135 HydrophobicContact CG2-CE2 3.91Å
129N91.8Very high88.2Confident136 Ų13690.9 Ų90.973%0.72746%0.456SS*.Hα-helixtrans-67.1-27.7-176.3-169.634.6000112.9M125 F126 E131M125-N129 WeakPolarHBondContact O-CB 3.27Å; M125-N129 PolarHBondContact O-N 3.44Å; F126-N129 PolarHBondContact O-N 3.33Å; N129-E131 VanDerWaalsContact C-N 3.33Å
130K91.2Very high88Confident134 Ų13490.8 Ų90.858%0.58346%0.464SS*.THydrogen-bonded Turntrans-88.94.7175.6-80.6-70-174.1179.90114.2F126 I128 I132F126-K130 HydrophobicContact CD2-CG 4.2Å; F126-K130 HydrophobicContact CE1-CG 4.34Å; F126-K130 HydrophobicContact CE2-CG 3.71Å; F126-K130 HydrophobicContact CZ-CG 3.79Å; F126-K130 WeakPolarHBondContact O-CB 3.48Å; F126-K130 PolarHBondContact O-N 3.07Å; I128-K130 VanDerWaalsContact C-N 3.25Å; I128-K130 PolarHBondContact O-N 3.21Å; K130-I132 HydrophobicContact CB-CD1 3.89Å; K130-I132 HydrophobicContact CB-CG1 3.96Å; K130-I132 PolarHBondContact O-N 3.11Å
131E87.5Confident87.9Confident139 Ų13994.1 Ų94.165%0.6548%0.478SS*.THydrogen-bonded Turntrans52.425.9-178.1-162.5172.8179.800112.4L127 I128 N129 W133 I134L127-E131 PolarHBondContact O-N 3.29Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-E131 VanDerWaalsContact O-N 3.1Å; N129-E131 VanDerWaalsContact C-N 3.33Å; E131-W133 VanDerWaalsContact C-N 3.26Å; E131-I134 HydrophobicContact CG-CG1 3.6Å; E131-I134 VanDerWaalsContact O-CD1 3.22Å; E131-I134 WeakPolarHBondContact O-CD1 3.32Å; E131-I134 WeakPolarHBondContact O-CG1 3.37Å
132I85.8Confident87.7Confident108 Ų10891.7 Ų91.755%0.55447%0.468SS*.SBendtrans-73.6-32.9171.1-62.6167.4000108.3F126 L127 K130F126-I132 HydrophobicContact CE1-CD1 4.3Å; L127-I132 HydrophobicContact CD2-CB 3.98Å; L127-I132 HydrophobicContact CD2-CD1 4.27Å; L127-I132 HydrophobicContact CD2-CG2 3.75Å; L127-I132 PolarHBondContact O-N 2.91Å; L127-I132 VanDerWaalsContact O-N 3.1Å; K130-I132 HydrophobicContact CB-CD1 3.89Å; K130-I132 HydrophobicContact CB-CG1 3.96Å; K130-I132 PolarHBondContact O-N 3.11Å
133W81.3Confident87.4Confident83 Ų8393 Ų9331%0.31447%0.468SS..SBendtrans-10896.9170.2-158-9000110.4F124 L127 E131 F139 F142F124-W133 HydrophobicContact CD2-CE3 4.17Å; F124-W133 AromaticContact CD2-CZ3 3.66Å; F124-W133 HydrophobicContact CD2-CZ3 3.66Å; F124-W133 AromaticContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CE3 3.89Å; F124-W133 HydrophobicContact CE2-CH2 4.01Å; F124-W133 AromaticContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CE2-CZ3 3.31Å; F124-W133 HydrophobicContact CZ-CZ3 4.47Å; L127-W133 HydrophobicContact CB-CB 4.37Å; L127-W133 PolarHBondContact O-N 3.42Å; E131-W133 VanDerWaalsContact C-N 3.26Å; W133-F139 HydrophobicContact CD2-CE2 4.22Å; W133-F139 AromaticContact CE2-CD2 3.87Å; W133-F139 AromaticContact CE2-CE2 3.46Å; W133-F139 VanDerWaalsContact CE2-CE2 3.46Å; W133-F139 HydrophobicContact CH2-CE2 4.26Å; W133-F139 HydrophobicContact CZ2-CD2 4.15Å; W133-F139 AromaticContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CE2 3.48Å; W133-F139 VanDerWaalsContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CZ 4.4Å; W133-F139 AromaticContact NE1-CD2 3.44Å; W133-F139 AromaticContact NE1-CE2 3.54Å; W133-F142 AromaticContact CH2-CE1 3.88Å; W133-F142 HydrophobicContact CH2-CE1 3.88Å; W133-F142 AromaticContact CZ2-CD1 3.88Å; W133-F142 HydrophobicContact CZ2-CD1 3.88Å; W133-F142 AromaticContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CZ 4.46Å
134I81.6Confident87.3Confident99 Ų9994.9 Ų94.951%0.50848%0.478SS..  trans-81.3130.2178-55.298.1000109.7E131 D136E131-I134 HydrophobicContact CG-CG1 3.6Å; E131-I134 VanDerWaalsContact O-CD1 3.22Å; E131-I134 WeakPolarHBondContact O-CD1 3.32Å; E131-I134 WeakPolarHBondContact O-CG1 3.37Å; I134-D136 VanDerWaalsContact C-N 3.27Å; I134-D136 PolarHBondContact O-N 3.01Å
135F82.4Confident87.4Confident116 Ų11697.1 Ų97.151%0.50949%0.488SS..  trans-8074.6172.2-68.6-80.2000110.4I128 F139I128-F135 HydrophobicContact CB-CE2 4.5Å; I128-F135 HydrophobicContact CD1-CE2 4.16Å; I128-F135 HydrophobicContact CD1-CZ 3.87Å; I128-F135 HydrophobicContact CG1-CE2 3.92Å; I128-F135 HydrophobicContact CG1-CZ 3.99Å; I128-F135 HydrophobicContact CG2-CE2 3.91Å; F135-F139 HydrophobicContact CD1-CB 4.26Å; F135-F139 AromaticContact CD1-CD1 3.48Å; F135-F139 HydrophobicContact CD1-CD1 3.48Å; F135-F139 VanDerWaalsContact CD1-CD1 3.48Å; F135-F139 AromaticContact CD1-CD2 3.66Å; F135-F139 HydrophobicContact CD1-CD2 3.66Å; F135-F139 AromaticContact CD1-CE1 3.66Å; F135-F139 HydrophobicContact CD1-CE1 3.66Å; F135-F139 AromaticContact CD1-CE2 3.82Å; F135-F139 HydrophobicContact CD1-CE2 3.82Å; F135-F139 AromaticContact CD1-CG 3.5Å; F135-F139 HydrophobicContact CD1-CG 3.5Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 AromaticContact CE1-CD1 3.79Å; F135-F139 HydrophobicContact CE1-CD1 3.79Å; F135-F139 AromaticContact CE1-CD2 3.9Å; F135-F139 HydrophobicContact CE1-CD2 3.9Å; F135-F139 AromaticContact CE1-CE1 3.43Å; F135-F139 HydrophobicContact CE1-CE1 3.43Å; F135-F139 VanDerWaalsContact CE1-CE1 3.43Å; F135-F139 AromaticContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 AromaticContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CZ-CE2 4.46Å; F135-F139 HydrophobicContact CZ-CZ 4.35Å
136D81.4Confident87.3Confident108 Ų10896.1 Ų96.158%0.57848%0.484SS*.  trans-83171.4168.9-162.97.2000110.8I134 H138 F139I134-D136 VanDerWaalsContact C-N 3.27Å; I134-D136 PolarHBondContact O-N 3.01Å; D136-H138 PolarHBondContact O-N 3.19Å; D136-H138 IonicContact OD2-CD2 3.66Å; D136-F139 WeakPolarHBondContact O-CB 3.34Å; D136-F139 PolarHBondContact O-N 2.87Å
137G84.8Confident87.2Confident54 Ų5497 Ų9756%0.55749%0.488SS*.THydrogen-bonded Turntrans-51.9-32.1176.700000113.3F139 V140G137-F139 PolarHBondContact O-N 3.3Å; G137-V140 PolarHBondContact O-N 3.31Å
138H84.4Confident87.2Confident123 Ų12399.2 Ų99.257%0.56950%0.498SS*.Hα-helixtrans-65-18.8174.6-67.1-63.4000114.6D136 V140 E141 F142D136-H138 PolarHBondContact O-N 3.19Å; D136-H138 IonicContact OD2-CD2 3.66Å; H138-V140 VanDerWaalsContact C-N 3.29Å; H138-V140 PolarHBondContact O-N 2.91Å; H138-E141 IonicContact CE1-OE2 2.87Å; H138-E141 IonicContact CG-OE2 3.9Å; H138-E141 IonicContact ND1-OE2 3.83Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 WeakPolarHBondContact O-CB 3.35Å; H138-E141 PolarHBondContact O-N 2.63Å; H138-F142 PolarHBondContact O-N 3.38Å; H138-F142 VanDerWaalsContact O-N 3.11Å
139F85Confident87.3Confident39 Ų3998.9 Ų98.917%0.17150%0.5CS..Hα-helixtrans-64.9-34.4177.8-176.6-88.1000112.4W133 F135 D136 G137 E141 F142 T143W133-F139 HydrophobicContact CD2-CE2 4.22Å; W133-F139 AromaticContact CE2-CD2 3.87Å; W133-F139 AromaticContact CE2-CE2 3.46Å; W133-F139 VanDerWaalsContact CE2-CE2 3.46Å; W133-F139 HydrophobicContact CH2-CE2 4.26Å; W133-F139 HydrophobicContact CZ2-CD2 4.15Å; W133-F139 AromaticContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CE2 3.48Å; W133-F139 VanDerWaalsContact CZ2-CE2 3.48Å; W133-F139 HydrophobicContact CZ2-CZ 4.4Å; W133-F139 AromaticContact NE1-CD2 3.44Å; W133-F139 AromaticContact NE1-CE2 3.54Å; F135-F139 HydrophobicContact CD1-CB 4.26Å; F135-F139 AromaticContact CD1-CD1 3.48Å; F135-F139 HydrophobicContact CD1-CD1 3.48Å; F135-F139 VanDerWaalsContact CD1-CD1 3.48Å; F135-F139 AromaticContact CD1-CD2 3.66Å; F135-F139 HydrophobicContact CD1-CD2 3.66Å; F135-F139 AromaticContact CD1-CE1 3.66Å; F135-F139 HydrophobicContact CD1-CE1 3.66Å; F135-F139 AromaticContact CD1-CE2 3.82Å; F135-F139 HydrophobicContact CD1-CE2 3.82Å; F135-F139 AromaticContact CD1-CG 3.5Å; F135-F139 HydrophobicContact CD1-CG 3.5Å; F135-F139 AromaticContact CD1-CZ 3.85Å; F135-F139 HydrophobicContact CD1-CZ 3.85Å; F135-F139 AromaticContact CE1-CD1 3.79Å; F135-F139 HydrophobicContact CE1-CD1 3.79Å; F135-F139 AromaticContact CE1-CD2 3.9Å; F135-F139 HydrophobicContact CE1-CD2 3.9Å; F135-F139 AromaticContact CE1-CE1 3.43Å; F135-F139 HydrophobicContact CE1-CE1 3.43Å; F135-F139 VanDerWaalsContact CE1-CE1 3.43Å; F135-F139 AromaticContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CE2 3.52Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 AromaticContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CE1-CZ 3.31Å; F135-F139 HydrophobicContact CZ-CE2 4.46Å; F135-F139 HydrophobicContact CZ-CZ 4.35Å; D136-F139 WeakPolarHBondContact O-CB 3.34Å; D136-F139 PolarHBondContact O-N 2.87Å; G137-F139 PolarHBondContact O-N 3.3Å; F139-E141 VanDerWaalsContact C-N 3.31Å; F139-F142 PolarHBondContact O-N 2.99Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.46Å; F139-T143 PolarHBondContact O-N 3.34Å; F139-T143 PolarHBondContact O-OG1 3.31Å
140V86.5Confident87.2Confident98 Ų9896.2 Ų96.259%0.59449%0.489SS*.Hα-helixtrans-66.4-38.2176.6-179.30000110.3G137 H138 T143 T144G137-V140 PolarHBondContact O-N 3.31Å; H138-V140 VanDerWaalsContact C-N 3.29Å; H138-V140 PolarHBondContact O-N 2.91Å; V140-T143 PolarHBondContact O-N 3.36Å; V140-T144 HydrophobicContact CG1-CG2 4.46Å; V140-T144 WeakPolarHBondContact O-CB 3.4Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 2.95Å; V140-T144 PolarHBondContact O-OG1 3.37Å
141E89.6Confident87.2Confident119 Ų11993.3 Ų93.356%0.55648%0.479SS*.Hα-helixtrans-62.5-43.6174.5-57.3178.715800111.3H138 F139 T144 F145H138-E141 IonicContact CE1-OE2 2.87Å; H138-E141 IonicContact CG-OE2 3.9Å; H138-E141 IonicContact ND1-OE2 3.83Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 WeakPolarHBondContact O-CB 3.35Å; H138-E141 PolarHBondContact O-N 2.63Å; F139-E141 VanDerWaalsContact C-N 3.31Å; E141-T144 WeakPolarHBondContact CA-OG1 3.47Å; E141-T144 PolarHBondContact O-OG1 3.24Å; E141-F145 WeakPolarHBondContact O-CB 3.33Å; E141-F145 PolarHBondContact O-N 3.26Å
142F87.9Confident87.5Confident87 Ų8791.3 Ų91.338%0.38247%0.472SS..Hα-helixtrans-63.9-43.4175.8178.6-102.5000112.7W133 H138 F139 F145 L146W133-F142 AromaticContact CH2-CE1 3.88Å; W133-F142 HydrophobicContact CH2-CE1 3.88Å; W133-F142 AromaticContact CZ2-CD1 3.88Å; W133-F142 HydrophobicContact CZ2-CD1 3.88Å; W133-F142 AromaticContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CE1 3.6Å; W133-F142 HydrophobicContact CZ2-CZ 4.46Å; H138-F142 PolarHBondContact O-N 3.38Å; H138-F142 VanDerWaalsContact O-N 3.11Å; F139-F142 PolarHBondContact O-N 2.99Å; F142-F145 PolarHBondContact O-N 2.81Å; F142-L146 HydrophobicContact CD1-CD1 4.01Å; F142-L146 HydrophobicContact CD1-CG 4.37Å; F142-L146 HydrophobicContact CE1-CD1 3.27Å; F142-L146 HydrophobicContact CE1-CG 3.92Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 4.39Å; F142-L146 HydrophobicContact CE2-CG 4.21Å; F142-L146 HydrophobicContact CZ-CD1 3.49Å; F142-L146 VanDerWaalsContact CZ-CD1 3.49Å; F142-L146 HydrophobicContact CZ-CD2 4.14Å; F142-L146 HydrophobicContact CZ-CG 3.83Å; F142-L146 PolarHBondContact O-N 2.99Å
143T86.8Confident87.7Confident63 Ų6391.1 Ų91.139%0.38748%0.476SS..Hα-helixtrans-65.9-41.6-179.4-57.50000111.5F139 V140 L146 F147F139-T143 WeakPolarHBondContact CE1-OG1 3.46Å; F139-T143 PolarHBondContact O-N 3.34Å; F139-T143 PolarHBondContact O-OG1 3.31Å; V140-T143 PolarHBondContact O-N 3.36Å; T143-L146 PolarHBondContact O-N 3.31Å; T143-F147 WeakPolarHBondContact O-CB 3.28Å; T143-F147 PolarHBondContact O-N 3.24Å
144T89.9Confident88Confident79 Ų7995 Ų9549%0.48550%0.495SS..Hα-helixtrans-65.8-4017551.50000111.7V140 E141 F147 M148V140-T144 HydrophobicContact CG1-CG2 4.46Å; V140-T144 WeakPolarHBondContact O-CB 3.4Å; V140-T144 WeakPolarHBondContact O-CG2 3.4Å; V140-T144 PolarHBondContact O-N 2.95Å; V140-T144 PolarHBondContact O-OG1 3.37Å; E141-T144 WeakPolarHBondContact CA-OG1 3.47Å; E141-T144 PolarHBondContact O-OG1 3.24Å; T144-F147 PolarHBondContact O-N 3.42Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 WeakPolarHBondContact O-CG 3.26Å; T144-M148 PolarHBondContact O-N 3.07Å
145F91.3Very high88.4Confident132 Ų13295 Ų9558%0.57950%0.499SS*.Hα-helixtrans-60.2-46.5173.4174-97.9000112.9E141 F142 M148 S149E141-F145 WeakPolarHBondContact O-CB 3.33Å; E141-F145 PolarHBondContact O-N 3.26Å; F142-F145 PolarHBondContact O-N 2.81Å; F145-M148 PolarHBondContact O-N 3.43Å; F145-S149 VanDerWaalsContact O-CB 3.29Å; F145-S149 WeakPolarHBondContact O-CB 3.47Å; F145-S149 PolarHBondContact O-N 2.93Å; F145-S149 PolarHBondContact O-OG 3.25Å
146L89.8Confident88.9Confident81 Ų8195.5 Ų95.542%0.42450%0.501SS..Hα-helixtrans-62.6-44.3176.7-75.7-173.6000111.7F142 T143 S149 V150F142-L146 HydrophobicContact CD1-CD1 4.01Å; F142-L146 HydrophobicContact CD1-CG 4.37Å; F142-L146 HydrophobicContact CE1-CD1 3.27Å; F142-L146 HydrophobicContact CE1-CG 3.92Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 4.39Å; F142-L146 HydrophobicContact CE2-CG 4.21Å; F142-L146 HydrophobicContact CZ-CD1 3.49Å; F142-L146 VanDerWaalsContact CZ-CD1 3.49Å; F142-L146 HydrophobicContact CZ-CD2 4.14Å; F142-L146 HydrophobicContact CZ-CG 3.83Å; F142-L146 PolarHBondContact O-N 2.99Å; T143-L146 PolarHBondContact O-N 3.31Å; L146-S149 PolarHBondContact O-N 2.89Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 2.96Å
147F91.8Very high89.3Confident134 Ų13491.8 Ų91.859%0.58849%0.488SS*.Hα-helixtrans-61.5-47.5177.9-177.4-104.8000111.6T143 T144 S149 V150 L151T143-F147 WeakPolarHBondContact O-CB 3.28Å; T143-F147 PolarHBondContact O-N 3.24Å; T144-F147 PolarHBondContact O-N 3.42Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.43Å; F147-V150 PolarHBondContact O-N 3.41Å; F147-L151 HydrophobicContact CD1-CD1 3.86Å; F147-L151 HydrophobicContact CD1-CG 4.41Å; F147-L151 HydrophobicContact CE1-CD1 3.33Å; F147-L151 HydrophobicContact CE1-CG 4.09Å; F147-L151 HydrophobicContact CZ-CD1 3.73Å; F147-L151 HydrophobicContact CZ-CD2 4.39Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.49Å; F147-L151 PolarHBondContact O-N 2.94Å
148M91.6Very high89.5Confident105 Ų10592.2 Ų92.252%0.51749%0.486SS..Hα-helixtrans-62.1-41.4176.9-75.2-61.3-7000112T144 F145 V150 L151 I152T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 WeakPolarHBondContact O-CG 3.26Å; T144-M148 PolarHBondContact O-N 3.07Å; F145-M148 PolarHBondContact O-N 3.43Å; M148-V150 PolarHBondContact O-N 3.22Å; M148-L151 PolarHBondContact O-N 3.16Å; M148-L151 HydrophobicContact SD-CD1 4.49Å; M148-I152 WeakPolarHBondContact O-CB 3.36Å; M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 3.3Å
149S90.7Very high89.9Confident39 Ų3995 Ų9527%0.27349%0.492SS..Hα-helixtrans-62-43.1177.1-650000111.9F145 L146 F147 I152 V153F145-S149 VanDerWaalsContact O-CB 3.29Å; F145-S149 WeakPolarHBondContact O-CB 3.47Å; F145-S149 PolarHBondContact O-N 2.93Å; F145-S149 PolarHBondContact O-OG 3.25Å; L146-S149 PolarHBondContact O-N 2.89Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.43Å; S149-I152 PolarHBondContact O-N 3.44Å; S149-V153 WeakPolarHBondContact O-CB 3.27Å; S149-V153 VanDerWaalsContact O-CG2 3.27Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 2.99Å
150V90.9Very high90.2Very high80 Ų8094.8 Ų94.849%0.48550%0.497SS..Hα-helixtrans-64.8-41175.7172.80000111.6L146 F147 M148 K154L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 2.96Å; F147-V150 PolarHBondContact O-N 3.41Å; M148-V150 PolarHBondContact O-N 3.22Å; V150-K154 HydrophobicContact CG1-CD 4.44Å; V150-K154 WeakPolarHBondContact O-CB 3.46Å; V150-K154 WeakPolarHBondContact O-CG 3.49Å; V150-K154 PolarHBondContact O-N 3.48Å
151L91.4Very high90.4Very high73 Ų7397.8 Ų97.838%0.38250%0.498SS..Hα-helixtrans-63.8-46175.8-72.5-176.5000111.9F147 M148 K154 V155F147-L151 HydrophobicContact CD1-CD1 3.86Å; F147-L151 HydrophobicContact CD1-CG 4.41Å; F147-L151 HydrophobicContact CE1-CD1 3.33Å; F147-L151 HydrophobicContact CE1-CG 4.09Å; F147-L151 HydrophobicContact CZ-CD1 3.73Å; F147-L151 HydrophobicContact CZ-CD2 4.39Å; F147-L151 HydrophobicContact CZ-CG 4.17Å; F147-L151 WeakPolarHBondContact O-CG 3.49Å; F147-L151 PolarHBondContact O-N 2.94Å; M148-L151 PolarHBondContact O-N 3.16Å; M148-L151 HydrophobicContact SD-CD1 4.49Å; L151-K154 PolarHBondContact O-N 3.22Å; L151-V155 WeakPolarHBondContact O-CB 3.38Å; L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 2.95Å
152I92.2Very high90.5Very high98 Ų9899.4 Ų99.450%0.50350%0.503SS..Hα-helixtrans-60.6-49178.1-69.2164000110.3M148 S149 K154 V155 F156M148-I152 WeakPolarHBondContact O-CB 3.36Å; M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 WeakPolarHBondContact O-CG1 3.48Å; M148-I152 PolarHBondContact O-N 3.3Å; S149-I152 PolarHBondContact O-N 3.44Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.82Å; I152-V155 PolarHBondContact O-N 2.97Å; I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact O-CA 3.49Å; I152-F156 WeakPolarHBondContact O-CB 3.49Å; I152-F156 PolarHBondContact O-N 3.41Å
153V90.8Very high90.8Very high104 Ų104100 Ų10063%0.6351%0.51SS*.Hα-helixtrans-62.7-38.5179.9172.30000111.4S149 G157S149-V153 WeakPolarHBondContact O-CB 3.27Å; S149-V153 VanDerWaalsContact O-CG2 3.27Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 2.99Å; V153-G157 WeakPolarHBondContact O-CA 3.47Å; V153-G157 PolarHBondContact O-N 3.29Å
154K88.4Confident91.1Very high164 Ų164102.5 Ų102.571%0.71352%0.52SS*.Hα-helixtrans-72.3-40.4178.4-78.6-168.4174.6178.30113.6V150 L151 I152V150-K154 HydrophobicContact CG1-CD 4.44Å; V150-K154 WeakPolarHBondContact O-CB 3.46Å; V150-K154 WeakPolarHBondContact O-CG 3.49Å; V150-K154 PolarHBondContact O-N 3.48Å; L151-K154 PolarHBondContact O-N 3.22Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.82Å
155V89.6Confident91.3Very high98 Ų98103 Ų10359%0.59452%0.517SS*.Hα-helixtrans-80.8-48.2-177.3175.20000111.3L151 I152L151-V155 WeakPolarHBondContact O-CB 3.38Å; L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 2.95Å; I152-V155 PolarHBondContact O-N 2.97Å
156F91.6Very high91.4Very high128 Ų128102.2 Ų102.256%0.56152%0.515SS*.Hα-helixtrans-85.8-28.1-175.6-164.5-103.8000112.5I152 A158 R159 A160I152-F156 HydrophobicContact CG2-CB 4.44Å; I152-F156 WeakPolarHBondContact O-CA 3.49Å; I152-F156 WeakPolarHBondContact O-CB 3.49Å; I152-F156 PolarHBondContact O-N 3.41Å; F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.03Å; F156-R159 PolarHBondContact O-N 3Å; F156-A160 HydrophobicContact CD1-CB 3.84Å; F156-A160 HydrophobicContact CE1-CB 3.75Å; F156-A160 WeakPolarHBondContact O-CB 3.47Å; F156-A160 PolarHBondContact O-N 3.15Å
157G89.9Confident91.6Very high29 Ų29105.9 Ų105.930%0.29952%0.524SS..Hα-helixtrans-59-38.8-175.200000114.1V153 R161V153-G157 WeakPolarHBondContact O-CA 3.47Å; V153-G157 PolarHBondContact O-N 3.29Å; G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 PolarHBondContact O-N 2.78Å
158A90Very high91.6Very high63 Ų63103.2 Ų103.252%0.52152%0.518SS..Hα-helixtrans-68.3-35.3176.700000112.8F156 K162F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.03Å; A158-K162 WeakPolarHBondContact O-CG 3.44Å; A158-K162 PolarHBondContact O-N 2.92Å
159R91.5Very high91.6Very high181 Ų181103.8 Ų103.868%0.68352%0.52SS*.Hα-helixtrans-73.7-47.2177-66.9-176-175.2169.31.5111.2F156 R161 K162 L163F156-R159 PolarHBondContact O-N 3Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.32Å; R159-K162 PolarHBondContact O-N 3Å; R159-L163 WeakPolarHBondContact O-CB 3.34Å; R159-L163 PolarHBondContact O-N 3.47Å
160A92.5Very high91.8Very high35 Ų35106.2 Ų106.229%0.28953%0.527SS..Hα-helixtrans-59.2-40.6176.500000111.8F156 L163 L164F156-A160 HydrophobicContact CD1-CB 3.84Å; F156-A160 HydrophobicContact CE1-CB 3.75Å; F156-A160 WeakPolarHBondContact O-CB 3.47Å; F156-A160 PolarHBondContact O-N 3.15Å; A160-L163 PolarHBondContact O-N 3.36Å; A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.42Å
161R89.7Confident91.8Very high162 Ų162106.6 Ų106.661%0.61153%0.526SS*.Hα-helixtrans-60.4-51.2175.5178.3179.1171.7-176-4.2112.2G157 R159 L163 L164 E165G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 PolarHBondContact O-N 2.78Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.32Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 2.85Å; R161-L164 PolarHBondContact O-N 3.34Å; R161-E165 HydrophobicContact CG-CG 4.32Å; R161-E165 IonicContact CZ-OE1 3.12Å; R161-E165 VanDerWaalsContact CZ-OE1 3.27Å; R161-E165 IonicContact NE-OE1 2.82Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NE-OE2 2.72Å; R161-E165 IonicContact NH2-OE1 3.8Å; R161-E165 PolarHBondContact NH2-OE1 3.38Å; R161-E165 WeakPolarHBondContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.45Å
162K92.8Very high91.8Very high153 Ų153106.4 Ų106.467%0.66552%0.523SS*.Hα-helixtrans-59.9-44.4179.7-74.9-177.4177.8-169.90111.8A158 R159 E165 E166A158-K162 WeakPolarHBondContact O-CG 3.44Å; A158-K162 PolarHBondContact O-N 2.92Å; R159-K162 PolarHBondContact O-N 3Å; K162-E165 PolarHBondContact O-N 3.47Å; K162-E166 WeakPolarHBondContact O-CB 3.24Å; K162-E166 PolarHBondContact O-N 3.4Å
163L94.6Very high91.8Very high98 Ų98106.6 Ų106.651%0.51352%0.522SS..Hα-helixtrans-62.2-48.4178.2-172.8149.4000110.2R159 A160 R161 E165 E166 W167R159-L163 WeakPolarHBondContact O-CB 3.34Å; R159-L163 PolarHBondContact O-N 3.47Å; A160-L163 PolarHBondContact O-N 3.36Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 2.85Å; L163-E165 PolarHBondContact O-N 3.49Å; L163-E166 WeakPolarHBondContact O-CB 3.41Å; L163-E166 PolarHBondContact O-N 3.43Å; L163-W167 PolarHBondContact O-N 3.21Å; L163-W167 VanDerWaalsContact O-N 3.08Å
164L93Very high91.9Very high116 Ų116106.5 Ų106.561%0.60752%0.518SS*.Hα-helixtrans-64-37.5177.8-169.866.9000113A160 R161 T168A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.42Å; R161-L164 PolarHBondContact O-N 3.34Å; L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.13Å
165E92.4Very high91.8Very high89 Ų89104.1 Ų104.142%0.41651%0.51SS..Hα-helixtrans-62.1-43.6174-77.2173.4170.400111.1R161 K162 L163 T168 E169R161-E165 HydrophobicContact CG-CG 4.32Å; R161-E165 IonicContact CZ-OE1 3.12Å; R161-E165 VanDerWaalsContact CZ-OE1 3.27Å; R161-E165 IonicContact NE-OE1 2.82Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NE-OE2 2.72Å; R161-E165 IonicContact NH2-OE1 3.8Å; R161-E165 PolarHBondContact NH2-OE1 3.38Å; R161-E165 WeakPolarHBondContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.45Å; K162-E165 PolarHBondContact O-N 3.47Å; L163-E165 PolarHBondContact O-N 3.49Å; E165-T168 PolarHBondContact O-N 3.15Å; E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.91Å
166E94.5Very high91.8Very high117 Ų117105.2 Ų105.255%0.54750%0.504SS..Hα-helixtrans-61-50.8176.4-174.1173.6-164.400112K162 L163 T168 E169 E170K162-E166 WeakPolarHBondContact O-CB 3.24Å; K162-E166 PolarHBondContact O-N 3.4Å; L163-E166 WeakPolarHBondContact O-CB 3.41Å; L163-E166 PolarHBondContact O-N 3.43Å; E166-T168 VanDerWaalsContact C-N 3.29Å; E166-T168 PolarHBondContact O-N 2.84Å; E166-E169 PolarHBondContact O-N 3.37Å; E166-E170 WeakPolarHBondContact O-CG 3.48Å; E166-E170 PolarHBondContact O-N 3.45Å
167W94.2Very high91.7Very high158 Ų158103.2 Ų103.260%0.59850%0.497SS*.Hα-helixtrans-60.6-38.1175.6-66.5106000112.8L163 D171L163-W167 PolarHBondContact O-N 3.21Å; L163-W167 VanDerWaalsContact O-N 3.08Å; W167-D171 WeakPolarHBondContact O-CB 3.44Å; W167-D171 PolarHBondContact O-N 3.33Å
168T91Very high91.8Very high78 Ų78106.2 Ų106.248%0.47950%0.503SS..Hα-helixtrans-69.4-39.3179-55.40000110.9L164 E165 E166 E172L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.13Å; E165-T168 PolarHBondContact O-N 3.15Å; E166-T168 VanDerWaalsContact C-N 3.29Å; E166-T168 PolarHBondContact O-N 2.84Å; T168-E172 VanDerWaalsContact O-CB 3.3Å; T168-E172 WeakPolarHBondContact O-CB 3.4Å; T168-E172 PolarHBondContact O-N 3.06Å
169E92.1Very high91.9Very high116 Ų116105.7 Ų105.754%0.54249%0.494SS..Hα-helixtrans-68.9-41.1177.7-176.2166.9-169.100111.4E165 E166 E172 Q173E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.91Å; E166-E169 PolarHBondContact O-N 3.37Å; E169-E172 PolarHBondContact O-N 3.47Å; E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.22Å; E169-Q173 PolarHBondContact O-N 2.88Å
170E94Very high91.9Very high91 Ų91100.3 Ų100.343%0.42548%0.478SS..Hα-helixtrans-60-46.4173.1-73.9-177.5173.700111.9E166 Q173 L174E166-E170 WeakPolarHBondContact O-CG 3.48Å; E166-E170 PolarHBondContact O-N 3.45Å; E170-Q173 PolarHBondContact O-N 2.85Å; E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.36Å; E170-L174 PolarHBondContact O-N 3.35Å
171D92.6Very high92Very high88 Ų88102.6 Ų102.647%0.47149%0.486SS..Hα-helixtrans-66-41.3177.5-166.758.3000111.7W167 Q173 L174 M175W167-D171 WeakPolarHBondContact O-CB 3.44Å; W167-D171 PolarHBondContact O-N 3.33Å; D171-Q173 VanDerWaalsContact C-N 3.31Å; D171-Q173 PolarHBondContact O-N 3.33Å; D171-L174 PolarHBondContact O-N 3.34Å; D171-M175 VanDerWaalsContact O-CB 3.26Å; D171-M175 WeakPolarHBondContact O-CB 3.39Å; D171-M175 VanDerWaalsContact O-CG 3.28Å; D171-M175 WeakPolarHBondContact O-CG 3.39Å; D171-M175 PolarHBondContact O-N 2.85Å
172E89.7Confident92.2Very high69 Ų69100 Ų10032%0.32248%0.48SS..Hα-helixtrans-61.9-39.5174-173.5172.8-165.800111R89 T168 E169 Y176 H177R89-E172 IonicContact NH2-OE1 2.9Å; T168-E172 VanDerWaalsContact O-CB 3.3Å; T168-E172 WeakPolarHBondContact O-CB 3.4Å; T168-E172 PolarHBondContact O-N 3.06Å; E169-E172 PolarHBondContact O-N 3.47Å; E172-Y176 HydrophobicContact CG-CD2 4.11Å; E172-Y176 VanDerWaalsContact O-CB 3.27Å; E172-Y176 WeakPolarHBondContact O-CB 3.42Å; E172-Y176 PolarHBondContact O-N 3.35Å; E172-Y176 VanDerWaalsContact O-N 3.15Å; E172-H177 PolarHBondContact O-N 3.05Å; E172-H177 IonicContact OE1-NE2 2.63Å
173Q92.3Very high92Very high101 Ų10197.1 Ų97.147%0.47248%0.475SS..Iπ-helixtrans-66.6-48177.2-75.5-178.618.300112.3E169 E170 D171 H177 Q178E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.22Å; E169-Q173 PolarHBondContact O-N 2.88Å; E170-Q173 PolarHBondContact O-N 2.85Å; D171-Q173 VanDerWaalsContact C-N 3.31Å; D171-Q173 PolarHBondContact O-N 3.33Å; Q173-H177 PolarHBondContact O-N 2.92Å; Q173-Q178 WeakPolarHBondContact O-CB 3.33Å; Q173-Q178 PolarHBondContact O-N 2.91Å
174L92.7Very high92Very high103 Ų10397.6 Ų97.654%0.53947%0.473SS..Iπ-helixtrans-67.9-44.3-178.5-73.3169.7000112.6E170 D171 P179E170-L174 WeakPolarHBondContact O-CB 3.39Å; E170-L174 WeakPolarHBondContact O-CG 3.36Å; E170-L174 PolarHBondContact O-N 3.35Å; D171-L174 PolarHBondContact O-N 3.34Å; L174-P179 WeakPolarHBondContact O-CD 3.42Å
175M87.9Confident92Very high114 Ų11496.4 Ų96.456%0.56247%0.468SS*.Iπ-helixtrans-81.1-30.2-173.1-65.2-61.9157.300113.1D171 P179D171-M175 VanDerWaalsContact O-CB 3.26Å; D171-M175 WeakPolarHBondContact O-CB 3.39Å; D171-M175 VanDerWaalsContact O-CG 3.28Å; D171-M175 WeakPolarHBondContact O-CG 3.39Å; D171-M175 PolarHBondContact O-N 2.85Å; M175-P179 VanDerWaalsContact O-CG 3.31Å; M175-P179 WeakPolarHBondContact O-CG 3.22Å
176Y88.1Confident91.9Very high120 Ų120100 Ų10047%0.47148%0.479SS..Iπ-helixtrans-119.1-63.6-170.6-66.1-57.5000112.4F2 E172 I180F2-Y176 AromaticContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE1-CD1 3.96Å; F2-Y176 HydrophobicContact CE2-CD1 4.36Å; F2-Y176 HydrophobicContact CE2-CG 4.42Å; F2-Y176 AromaticContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CD1 3.4Å; F2-Y176 VanDerWaalsContact CZ-CD1 3.4Å; F2-Y176 HydrophobicContact CZ-CE1 4.27Å; F2-Y176 AromaticContact CZ-CG 3.65Å; F2-Y176 HydrophobicContact CZ-CG 3.65Å; E172-Y176 HydrophobicContact CG-CD2 4.11Å; E172-Y176 VanDerWaalsContact O-CB 3.27Å; E172-Y176 WeakPolarHBondContact O-CB 3.42Å; E172-Y176 PolarHBondContact O-N 3.35Å; E172-Y176 VanDerWaalsContact O-N 3.15Å; Y176-I180 WeakPolarHBondContact O-CB 3.3Å; Y176-I180 WeakPolarHBondContact O-CD1 3.36Å; Y176-I180 WeakPolarHBondContact O-CG1 3.31Å; Y176-I180 PolarHBondContact O-N 2.85Å
177H89.6Confident91.7Very high87 Ų8796.2 Ų96.240%0.40346%0.463SS..Iπ-helixtrans-67.9-45.6-168.3-70.1-65.1000112.8E172 Q173 N181E172-H177 PolarHBondContact O-N 3.05Å; E172-H177 IonicContact OE1-NE2 2.63Å; Q173-H177 PolarHBondContact O-N 2.92Å; H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.41Å; H177-N181 PolarHBondContact O-N 2.92Å; H177-N181 PolarHBondContact O-ND2 3.43Å; H177-N181 VanDerWaalsContact O-ND2 3.09Å
178Q91.7Very high91.6Very high92 Ų9291.7 Ų91.743%0.4345%0.451SS..Hα-helixtrans-61-58.1-179.1-178.9175.2-2.700112.9Q173 I180 N181 E182Q173-Q178 WeakPolarHBondContact O-CB 3.33Å; Q173-Q178 PolarHBondContact O-N 2.91Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 2.97Å; Q178-N181 PolarHBondContact O-N 3.06Å; Q178-N181 VanDerWaalsContact O-N 3.11Å; Q178-E182 HydrophobicContact CG-CG 4.39Å; Q178-E182 VanDerWaalsContact CG-OE1 3.22Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.5Å; Q178-E182 PolarHBondContact O-N 3.28Å
179P93.9Very high91.7Very high51 Ų5192.3 Ų92.333%0.33145%0.451SS..Hα-helixtrans-63.7-35.3-176.922.6-33.8000112.4L174 M175 E182 V183L174-P179 WeakPolarHBondContact O-CD 3.42Å; M175-P179 VanDerWaalsContact O-CG 3.31Å; M175-P179 WeakPolarHBondContact O-CG 3.22Å; P179-E182 PolarHBondContact O-N 2.88Å; P179-V183 WeakPolarHBondContact O-CB 3.39Å; P179-V183 VanDerWaalsContact O-CG2 3.24Å; P179-V183 WeakPolarHBondContact O-CG2 3.38Å; P179-V183 PolarHBondContact O-N 3.44Å
180I91.3Very high91.5Very high69 Ų6989.4 Ų89.435%0.35444%0.441SS..Hα-helixtrans-65.3-43.9175.2-66164.7000111F2 Y176 Q178 V183 K184F2-I180 HydrophobicContact CD1-CD1 3.59Å; F2-I180 HydrophobicContact CE1-CD1 2.97Å; F2-I180 HydrophobicContact CE1-CG1 4.16Å; F2-I180 HydrophobicContact CZ-CD1 3.56Å; Y176-I180 WeakPolarHBondContact O-CB 3.3Å; Y176-I180 WeakPolarHBondContact O-CD1 3.36Å; Y176-I180 WeakPolarHBondContact O-CG1 3.31Å; Y176-I180 PolarHBondContact O-N 2.85Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 2.97Å; I180-V183 PolarHBondContact O-N 3.3Å; I180-K184 WeakPolarHBondContact O-CB 3.48Å; I180-K184 PolarHBondContact O-N 3.33Å
181N93.9Very high91.3Very high82 Ų8286.8 Ų86.844%0.43943%0.43SS..Hα-helixtrans-66.1-41179.1-73.9-23.3000110.9H177 Q178 K184 N185H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.41Å; H177-N181 PolarHBondContact O-N 2.92Å; H177-N181 PolarHBondContact O-ND2 3.43Å; H177-N181 VanDerWaalsContact O-ND2 3.09Å; Q178-N181 PolarHBondContact O-N 3.06Å; Q178-N181 VanDerWaalsContact O-N 3.11Å; N181-K184 PolarHBondContact O-N 2.92Å; N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.38Å; N181-N185 PolarHBondContact O-ND2 3.18Å; N181-N185 VanDerWaalsContact O-ND2 3.15Å
182E93.5Very high91.3Very high108 Ų10888.4 Ų88.451%0.50543%0.433SS..Hα-helixtrans-60.7-49.6174.7-73.2175.4-171.800111.7Q178 P179 K184 N185 Y186Q178-E182 HydrophobicContact CG-CG 4.39Å; Q178-E182 VanDerWaalsContact CG-OE1 3.22Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.23Å; Q178-E182 PolarHBondContact NE2-OE1 2.92Å; Q178-E182 WeakPolarHBondContact O-CG 3.5Å; Q178-E182 PolarHBondContact O-N 3.28Å; P179-E182 PolarHBondContact O-N 2.88Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.5Å; E182-N185 PolarHBondContact O-N 2.93Å; E182-Y186 WeakPolarHBondContact O-CB 3.35Å; E182-Y186 PolarHBondContact O-N 3.3Å
183V90Very high91.4Very high92 Ų9288.8 Ų88.856%0.55844%0.44SS*.Hα-helixtrans-61.1-43.4176.8170.70000111P179 I180 Y186 V187P179-V183 WeakPolarHBondContact O-CB 3.39Å; P179-V183 VanDerWaalsContact O-CG2 3.24Å; P179-V183 WeakPolarHBondContact O-CG2 3.38Å; P179-V183 PolarHBondContact O-N 3.44Å; I180-V183 PolarHBondContact O-N 3.3Å; V183-Y186 PolarHBondContact O-N 3.23Å; V183-V187 HydrophobicContact CG1-CG2 4.46Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 3.26Å
184K92.8Very high91Very high108 Ų10886.5 Ų86.547%0.4743%0.434SS..Hα-helixtrans-62.1-46.7177.2-177.3-178.6174.3-171.50111.6I180 N181 E182 Y186 V187 D188I180-K184 WeakPolarHBondContact O-CB 3.48Å; I180-K184 PolarHBondContact O-N 3.33Å; N181-K184 PolarHBondContact O-N 2.92Å; E182-K184 VanDerWaalsContact C-N 3.34Å; E182-K184 PolarHBondContact O-N 3.5Å; K184-Y186 VanDerWaalsContact C-N 3.33Å; K184-Y186 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.47Å; K184-D188 WeakPolarHBondContact O-CB 3.41Å; K184-D188 PolarHBondContact O-N 2.86Å
185N93.6Very high91Very high91 Ų9186.4 Ų86.449%0.48743%0.431SS..Hα-helixtrans-62.3-41.3177.4-71.4-24.2000111.5N181 E182 D188 N189N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.38Å; N181-N185 PolarHBondContact O-ND2 3.18Å; N181-N185 VanDerWaalsContact O-ND2 3.15Å; E182-N185 PolarHBondContact O-N 2.93Å; N185-D188 PolarHBondContact O-N 3.11Å; N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.98Å; N185-N189 PolarHBondContact O-ND2 3.39Å
186Y91Very high91.2Very high166 Ų16683.6 Ų83.665%0.65142%0.421SS*.Hα-helixtrans-61.6-47.1175.9176.1-95.6000111.9E182 V183 K184 N189 T190E182-Y186 WeakPolarHBondContact O-CB 3.35Å; E182-Y186 PolarHBondContact O-N 3.3Å; V183-Y186 PolarHBondContact O-N 3.23Å; K184-Y186 VanDerWaalsContact C-N 3.33Å; K184-Y186 PolarHBondContact O-N 3.26Å; Y186-N189 PolarHBondContact O-N 3.5Å; Y186-T190 WeakPolarHBondContact O-CB 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 2.85Å
187V89.3Confident91Very high37 Ų3782.2 Ų82.222%0.22442%0.419CS..Hα-helixtrans-62.8-47.5176.51720000110.5Y13 V183 K184 N189 T190 I191Y13-V187 HydrophobicContact CE1-CG1 4.23Å; V183-V187 HydrophobicContact CG1-CG2 4.46Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.47Å; V187-N189 VanDerWaalsContact C-N 3.32Å; V187-N189 PolarHBondContact O-N 3.3Å; V187-T190 WeakPolarHBondContact O-CB 3.42Å; V187-T190 PolarHBondContact O-N 2.88Å; V187-T190 VanDerWaalsContact O-N 3.13Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 HydrophobicContact CG1-CG1 4.33Å; V187-I191 VanDerWaalsContact O-CG1 3.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å
188D93.3Very high91Very high62 Ų6281.7 Ų81.733%0.33242%0.421SS..Hα-helixtrans-60.4-40178.8-76.2-21.5000112K184 N185 I191 K192K184-D188 WeakPolarHBondContact O-CB 3.41Å; K184-D188 PolarHBondContact O-N 2.86Å; N185-D188 PolarHBondContact O-N 3.11Å; D188-I191 PolarHBondContact O-N 3.46Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.35Å
189N93.3Very high90.8Very high91 Ų9183.9 Ų83.949%0.48743%0.431SS..Hα-helixtrans-68.3-37.9175.2-73-22.6000112.5N185 Y186 V187 K192 T193N185-N189 WeakPolarHBondContact O-CB 3.32Å; N185-N189 PolarHBondContact O-N 2.98Å; N185-N189 PolarHBondContact O-ND2 3.39Å; Y186-N189 PolarHBondContact O-N 3.5Å; V187-N189 VanDerWaalsContact C-N 3.32Å; V187-N189 PolarHBondContact O-N 3.3Å; N189-K192 PolarHBondContact O-N 3.09Å; N189-T193 WeakPolarHBondContact O-CB 3.31Å; N189-T193 PolarHBondContact O-N 3.24Å; N189-T193 PolarHBondContact O-OG1 2.92Å
190T86.3Confident90.6Very high55 Ų5588.2 Ų88.234%0.33744%0.441SS..Hα-helixtrans-63.4-44.3175.4-570000110.3Y186 V187 T193 C194Y186-T190 WeakPolarHBondContact O-CB 3.49Å; Y186-T190 PolarHBondContact O-N 3.47Å; Y186-T190 PolarHBondContact O-OG1 2.85Å; V187-T190 WeakPolarHBondContact O-CB 3.42Å; V187-T190 PolarHBondContact O-N 2.88Å; V187-T190 VanDerWaalsContact O-N 3.13Å; T190-T193 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-SG 2.94Å; T190-C194 VanDerWaalsContact O-SG 3.34Å
191I89.6Confident90.5Very high37 Ų3787.9 Ų87.919%0.1945%0.448CS..Hα-helixtrans-58.5-51.3176.2-67.5170000110.6Y16 V187 D188 T193 C194 E195Y16-I191 HydrophobicContact CD2-CD1 4.5Å; Y16-I191 HydrophobicContact CD2-CG1 4.2Å; Y16-I191 HydrophobicContact CE2-CB 4.2Å; Y16-I191 HydrophobicContact CE2-CD1 4.36Å; Y16-I191 HydrophobicContact CE2-CG1 3.59Å; Y16-I191 HydrophobicContact CE2-CG2 4.05Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 HydrophobicContact CG1-CG1 4.33Å; V187-I191 VanDerWaalsContact O-CG1 3.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å; D188-I191 PolarHBondContact O-N 3.46Å; I191-T193 VanDerWaalsContact C-N 3.27Å; I191-T193 PolarHBondContact O-N 2.73Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.07Å; I191-C194 VanDerWaalsContact O-N 3.14Å; I191-E195 HydrophobicContact CG2-CG 4.37Å; I191-E195 WeakPolarHBondContact O-CG 3.3Å; I191-E195 PolarHBondContact O-N 3.48Å
192K94Very high90.3Very high121 Ų12187 Ų8753%0.52645%0.453SS..Hα-helixtrans-58.5-39.4178.2-72.1172.1-175.9173.70112.7D188 N189 E195 T196D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.35Å; N189-K192 PolarHBondContact O-N 3.09Å; K192-E195 PolarHBondContact O-N 2.99Å; K192-T196 WeakPolarHBondContact O-CB 3.27Å; K192-T196 PolarHBondContact O-N 3.05Å; K192-T196 PolarHBondContact O-OG1 3.28Å
193T90.2Very high90.2Very high78 Ų7883.2 Ų83.248%0.47944%0.44SS..Hα-helixtrans-64.9-47.9176.8-54.80000109.9N189 T190 I191 E195 T196 E197N189-T193 WeakPolarHBondContact O-CB 3.31Å; N189-T193 PolarHBondContact O-N 3.24Å; N189-T193 PolarHBondContact O-OG1 2.92Å; T190-T193 PolarHBondContact O-N 2.9Å; I191-T193 VanDerWaalsContact C-N 3.27Å; I191-T193 PolarHBondContact O-N 2.73Å; T193-E195 PolarHBondContact O-N 3.29Å; T193-T196 WeakPolarHBondContact O-CB 3.45Å; T193-T196 PolarHBondContact O-N 3.41Å; T193-E197 WeakPolarHBondContact O-CG 3.48Å; T193-E197 PolarHBondContact O-N 3.15Å
194C84Confident90.3Very high52 Ų5282.9 Ų82.935%0.35144%0.438SS..Hα-helixtrans-58.9-43.4175.3-69.80000112.6Y16 T190 I191 T196 E197 V198Y16-C194 PolarHBondContact OH-SG 2.97Å; T190-C194 PolarHBondContact O-N 2.9Å; T190-C194 PolarHBondContact O-SG 2.94Å; T190-C194 VanDerWaalsContact O-SG 3.34Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.07Å; I191-C194 VanDerWaalsContact O-N 3.14Å; C194-T196 PolarHBondContact O-N 3.4Å; C194-E197 PolarHBondContact O-N 3.06Å; C194-V198 WeakPolarHBondContact O-CG2 3.05Å; C194-V198 PolarHBondContact O-N 3.17Å
195E93.5Very high90.4Very high102 Ų10281.6 Ų81.648%0.47744%0.441SS..Hα-helixtrans-59.9-45.2175.6-72.9174.3164.500111.4I191 K192 T193 E197 V198 E199I191-E195 HydrophobicContact CG2-CG 4.37Å; I191-E195 WeakPolarHBondContact O-CG 3.3Å; I191-E195 PolarHBondContact O-N 3.48Å; K192-E195 PolarHBondContact O-N 2.99Å; T193-E195 PolarHBondContact O-N 3.29Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.43Å; E195-V198 WeakPolarHBondContact O-CB 3.31Å; E195-V198 PolarHBondContact O-N 3.47Å; E195-V198 VanDerWaalsContact O-N 3.16Å; E195-E199 WeakPolarHBondContact O-CG 3.24Å; E195-E199 PolarHBondContact O-N 3.08Å
196T92.2Very high90.3Very high55 Ų5582.9 Ų82.934%0.33744%0.444SS..Hα-helixtrans-60.9-40.6175.9-54.90000111.7K192 T193 C194 E199 R200K192-T196 WeakPolarHBondContact O-CB 3.27Å; K192-T196 PolarHBondContact O-N 3.05Å; K192-T196 PolarHBondContact O-OG1 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.45Å; T193-T196 PolarHBondContact O-N 3.41Å; C194-T196 PolarHBondContact O-N 3.4Å; T196-E199 PolarHBondContact O-N 3.31Å; T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 3.21Å
197E83.5Confident90.4Very high91 Ų9180.7 Ų80.743%0.42544%0.439SS..Hα-helixtrans-68-35.6175.8-61.4-47.1146.200112.4T193 C194 E195 R200 A201T193-E197 WeakPolarHBondContact O-CG 3.48Å; T193-E197 PolarHBondContact O-N 3.15Å; C194-E197 PolarHBondContact O-N 3.06Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.43Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.87Å; E197-R200 IonicContact OE1-NH1 3.22Å; E197-R200 PolarHBondContact OE1-NH1 3.06Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.27Å; E197-R200 IonicContact OE2-NH1 3.49Å; E197-R200 PolarHBondContact OE2-NH1 3.48Å; E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 2.92Å
198V90.2Very high90.7Very high75 Ų7582.2 Ų82.246%0.45545%0.448SS..Hα-helixtrans-63.6-43.2173.9170.50000110.8C194 E195 A201 A202C194-V198 WeakPolarHBondContact O-CG2 3.05Å; C194-V198 PolarHBondContact O-N 3.17Å; E195-V198 WeakPolarHBondContact O-CB 3.31Å; E195-V198 PolarHBondContact O-N 3.47Å; E195-V198 VanDerWaalsContact O-N 3.16Å; V198-A201 PolarHBondContact O-N 3.42Å; V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 3.3Å
199E88.3Confident90.8Very high138 Ų13885.8 Ų85.865%0.64546%0.457SS*.Hα-helixtrans-62-44.2174.7-71.4177.8178.300111.9E195 T196 A201 A202 A203E195-E199 WeakPolarHBondContact O-CG 3.24Å; E195-E199 PolarHBondContact O-N 3.08Å; T196-E199 PolarHBondContact O-N 3.31Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.96Å; E199-A202 PolarHBondContact O-N 3.5Å; E199-A203 PolarHBondContact O-N 2.94Å; E199-A203 VanDerWaalsContact O-N 3.07Å
200R88.7Confident91Very high143 Ų14383.8 Ų83.854%0.5445%0.453SS..Hα-helixtrans-60.9-41.5174.9-72.4170.2-176.6170.49.4112.1T196 E197 A202 A203T196-R200 VanDerWaalsContact O-CG 3.28Å; T196-R200 WeakPolarHBondContact O-CG 3.41Å; T196-R200 PolarHBondContact O-N 3.21Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.87Å; E197-R200 IonicContact OE1-NH1 3.22Å; E197-R200 PolarHBondContact OE1-NH1 3.06Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.27Å; E197-R200 IonicContact OE2-NH1 3.49Å; E197-R200 PolarHBondContact OE2-NH1 3.48Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A203 PolarHBondContact O-N 3.26Å
201A88.5Confident91.6Very high61 Ų6188.1 Ų88.150%0.50447%0.468SS..Hα-helixtrans-64.9-39176.500000111.7E197 V198 E199 A203 V204 P205E197-A201 WeakPolarHBondContact O-CB 3.46Å; E197-A201 PolarHBondContact O-N 2.92Å; V198-A201 PolarHBondContact O-N 3.42Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 2.96Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 2.89Å; A201-V204 PolarHBondContact O-N 3.28Å; A201-P205 WeakPolarHBondContact O-CD 3.36Å
202A90.4Very high91.9Very high65 Ų6592.2 Ų92.254%0.53749%0.486SS..Hα-helixtrans-66.1-28.417600000113.4V198 E199 R200 P205V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 3.3Å; E199-A202 PolarHBondContact O-N 3.5Å; R200-A202 VanDerWaalsContact C-N 3.34Å; A202-P205 VanDerWaalsContact O-CD 3.26Å; A202-P205 WeakPolarHBondContact O-CD 3Å; A202-P205 VanDerWaalsContact O-CG 3.27Å; A202-P205 WeakPolarHBondContact O-CG 3.06Å
203A91.4Very high92.1Very high27 Ų2791.5 Ų91.522%0.22348%0.484CS..Hα-helixtrans-73.7-22.917700000113.9E199 R200 A201 E206 H207E199-A203 PolarHBondContact O-N 2.94Å; E199-A203 VanDerWaalsContact O-N 3.07Å; R200-A203 PolarHBondContact O-N 3.26Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 2.89Å; A203-E206 WeakPolarHBondContact O-CB 3.27Å; A203-E206 PolarHBondContact O-N 3.46Å; A203-H207 PolarHBondContact O-CD2 3.05Å; A203-H207 PolarHBondContact O-N 3.08Å
204V92.7Very high92.5Very high85 Ų8591.7 Ų91.752%0.51548%0.482SS..Hα-helixtrans-56.2-52.5-179.4178.40000113.5A201 E206 H207 V208A201-V204 PolarHBondContact O-N 3.28Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 2.97Å; V204-H207 WeakPolarHBondContact O-CB 3.44Å; V204-H207 PolarHBondContact O-N 2.91Å; V204-V208 WeakPolarHBondContact O-CG2 3.31Å; V204-V208 PolarHBondContact O-N 3.42Å
205P93.6Very high93.1Very high82 Ų8293.9 Ų93.953%0.53249%0.49SS..Hα-helixtrans-62.1-34.6177.924-35.6000112.7A201 A202 V208 R209A201-P205 WeakPolarHBondContact O-CD 3.36Å; A202-P205 VanDerWaalsContact O-CD 3.26Å; A202-P205 WeakPolarHBondContact O-CD 3Å; A202-P205 VanDerWaalsContact O-CG 3.27Å; A202-P205 WeakPolarHBondContact O-CG 3.06Å; P205-V208 PolarHBondContact O-N 2.94Å; P205-R209 PolarHBondContact O-N 3.29Å
206E92.7Very high93.3Very high118 Ų11891.8 Ų91.855%0.55149%0.49SS*.Hα-helixtrans-65.1-42.7174.7-175.5178-170.900111.5A203 V204 V208 R209 A210A203-E206 WeakPolarHBondContact O-CB 3.27Å; A203-E206 PolarHBondContact O-N 3.46Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 2.97Å; E206-V208 VanDerWaalsContact C-N 3.3Å; E206-V208 PolarHBondContact O-N 3.43Å; E206-R209 PolarHBondContact O-N 3.22Å; E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 2.95Å
207H93.1Very high93.6Very high119 Ų11994.4 Ų94.455%0.55150%0.501SS*.Hα-helixtrans-62.5-35.5174.1-74.7-54.2000113A203 V204 K211A203-H207 PolarHBondContact O-CD2 3.05Å; A203-H207 PolarHBondContact O-N 3.08Å; V204-H207 WeakPolarHBondContact O-CB 3.44Å; V204-H207 PolarHBondContact O-N 2.91Å; H207-K211 WeakPolarHBondContact O-CG 3.22Å; H207-K211 PolarHBondContact O-N 3.39Å
208V95.4Very high94.3Very high70 Ų7095.4 Ų95.442%0.42451%0.506SS..Hα-helixtrans-66.8-49.3174.3174.20000110.1V204 P205 E206 A210 K211 E212V204-V208 WeakPolarHBondContact O-CG2 3.31Å; V204-V208 PolarHBondContact O-N 3.42Å; P205-V208 PolarHBondContact O-N 2.94Å; E206-V208 VanDerWaalsContact C-N 3.3Å; E206-V208 PolarHBondContact O-N 3.43Å; V208-A210 VanDerWaalsContact C-N 3.33Å; V208-A210 PolarHBondContact O-N 2.84Å; V208-K211 WeakPolarHBondContact O-CB 3.23Å; V208-K211 PolarHBondContact O-N 2.87Å; V208-K211 VanDerWaalsContact O-N 3.07Å; V208-E212 WeakPolarHBondContact O-CG 3.45Å; V208-E212 PolarHBondContact O-N 3.31Å
209R96.1Very high94.7Very high136 Ų13697.3 Ų97.351%0.51351%0.513SS..Hα-helixtrans-56.6-45176.5-172.1-176.469.7-168.7-3.9112P205 E206 K211 E212 E213P205-R209 PolarHBondContact O-N 3.29Å; E206-R209 PolarHBondContact O-N 3.22Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 PolarHBondContact O-N 2.9Å; R209-E212 PolarHBondContact O-N 3.5Å; R209-E213 HydrophobicContact CG-CG 4.49Å; R209-E213 IonicContact NE-OE1 3.86Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.03Å
210A96.9Very high95.1Very high49 Ų4994.8 Ų94.841%0.40550%0.501SS..Hα-helixtrans-61.1-35.8177.900000112.7E206 V208 N214E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 2.95Å; V208-A210 VanDerWaalsContact C-N 3.33Å; V208-A210 PolarHBondContact O-N 2.84Å; A210-N214 WeakPolarHBondContact O-CB 3.35Å; A210-N214 PolarHBondContact O-N 3.45Å
211K97.7Very high95.5Very high147 Ų14790 Ų9064%0.63949%0.492SS*.Hα-helixtrans-70.2-41.4174.8-73.4174.7-179.3-179.60112H207 V208 R209 N214 I215H207-K211 WeakPolarHBondContact O-CG 3.22Å; H207-K211 PolarHBondContact O-N 3.39Å; V208-K211 WeakPolarHBondContact O-CB 3.23Å; V208-K211 PolarHBondContact O-N 2.87Å; V208-K211 VanDerWaalsContact O-N 3.07Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 PolarHBondContact O-N 2.9Å; K211-N214 PolarHBondContact O-N 3.32Å; K211-I215 WeakPolarHBondContact O-CG1 2.93Å; K211-I215 PolarHBondContact O-N 3.15Å
212E97.5Very high96Very high122 Ų12289.8 Ų89.857%0.5748%0.484SS*.Hα-helixtrans-61.1-47.3175.8-69172.8177.900111.4V208 R209 N214 I215 A216V208-E212 WeakPolarHBondContact O-CG 3.45Å; V208-E212 PolarHBondContact O-N 3.31Å; R209-E212 PolarHBondContact O-N 3.5Å; E212-N214 VanDerWaalsContact C-N 3.33Å; E212-N214 PolarHBondContact O-N 2.9Å; E212-I215 PolarHBondContact O-N 2.84Å; E212-A216 PolarHBondContact O-N 2.98Å
213E97.5Very high96.4Very high106 Ų10693.5 Ų93.550%0.49549%0.486SS..Hα-helixtrans-60.4-41.5174.9-72.2173.6-172.700111.7R209 A216 L217R209-E213 HydrophobicContact CG-CG 4.49Å; R209-E213 IonicContact NE-OE1 3.86Å; R209-E213 WeakPolarHBondContact O-CG 3.33Å; R209-E213 PolarHBondContact O-N 3.03Å; E213-A216 PolarHBondContact O-N 3.44Å; E213-L217 WeakPolarHBondContact O-CG 2.96Å; E213-L217 PolarHBondContact O-N 3.38Å
214N97.6Very high96.7Very high82 Ų8298.2 Ų98.244%0.43950%0.498SS..Hα-helixtrans-62.6-44.1177.2-166.6-84.7000112A210 K211 E212 A216 L217 Q218A210-N214 WeakPolarHBondContact O-CB 3.35Å; A210-N214 PolarHBondContact O-N 3.45Å; K211-N214 PolarHBondContact O-N 3.32Å; E212-N214 VanDerWaalsContact C-N 3.33Å; E212-N214 PolarHBondContact O-N 2.9Å; N214-A216 VanDerWaalsContact C-N 3.34Å; N214-L217 PolarHBondContact O-N 2.86Å; N214-Q218 WeakPolarHBondContact O-CG 3.39Å; N214-Q218 PolarHBondContact O-N 3.32Å; N214-Q218 PolarHBondContact OD1-NE2 3.33Å
215I98.1Very high97Very high98 Ų98100 Ų10050%0.50350%0.501SS..Hα-helixtrans-62.6-43.4175.8-68.2166.4000110.4K211 E212 L217 Q218 L219K211-I215 WeakPolarHBondContact O-CG1 2.93Å; K211-I215 PolarHBondContact O-N 3.15Å; E212-I215 PolarHBondContact O-N 2.84Å; I215-L217 PolarHBondContact O-N 3.3Å; I215-Q218 PolarHBondContact O-N 3.4Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 HydrophobicContact CG2-CG 4.48Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 3.25Å
216A97.8Very high97.2Very high58 Ų58104.5 Ų104.548%0.47951%0.507SS..Hα-helixtrans-59.9-44.6176.900000112E212 E213 N214 L219 E220E212-A216 PolarHBondContact O-N 2.98Å; E213-A216 PolarHBondContact O-N 3.44Å; N214-A216 VanDerWaalsContact C-N 3.34Å; A216-L219 PolarHBondContact O-N 3.31Å; A216-E220 PolarHBondContact O-N 3.08Å
217L97.9Very high97.4Very high110 Ų110103.2 Ų103.258%0.57650%0.503SS*.Hα-helixtrans-62.9-41.4175.8-72.8171.5000112.3E213 N214 I215 E220 A221E213-L217 WeakPolarHBondContact O-CG 2.96Å; E213-L217 PolarHBondContact O-N 3.38Å; N214-L217 PolarHBondContact O-N 2.86Å; I215-L217 PolarHBondContact O-N 3.3Å; L217-E220 PolarHBondContact O-N 2.68Å; L217-A221 WeakPolarHBondContact O-CB 3.33Å; L217-A221 PolarHBondContact O-N 2.98Å
218Q97.9Very high97.7Very high113 Ų113102.1 Ų102.153%0.52850%0.498SS..Hα-helixtrans-62.9-43.8176.1-72.2179.919.800111.8N214 I215 E220 A221 T222N214-Q218 WeakPolarHBondContact O-CG 3.39Å; N214-Q218 PolarHBondContact O-N 3.32Å; N214-Q218 PolarHBondContact OD1-NE2 3.33Å; I215-Q218 PolarHBondContact O-N 3.4Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 3.21Å; Q218-A221 PolarHBondContact O-N 2.85Å; Q218-T222 WeakPolarHBondContact O-CG2 3.43Å; Q218-T222 PolarHBondContact O-N 2.81Å; Q218-T222 PolarHBondContact O-OG1 3.31Å
219L97.9Very high97.8Very high115 Ų115102 Ų10260%0.60250%0.5SS*.Hα-helixtrans-60.6-44.3176.3-72.4170.4000111.2I215 A216 T222 Y223I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 HydrophobicContact CG2-CG 4.48Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 3.25Å; A216-L219 PolarHBondContact O-N 3.31Å; L219-T222 PolarHBondContact O-N 2.91Å; L219-T222 PolarHBondContact O-OG1 3.41Å; L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 2.98Å
220E97.5Very high97.9Very high85 Ų85100 Ų10040%0.39750%0.503SS..Hα-helixtrans-67.4-39.3178-156.5-172-165.400112.5A216 L217 Q218 Y223 R224A216-E220 PolarHBondContact O-N 3.08Å; L217-E220 PolarHBondContact O-N 2.68Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 3.21Å; E220-Y223 PolarHBondContact O-N 3.14Å; E220-R224 VanDerWaalsContact CG-NH1 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.45Å; E220-R224 PolarHBondContact O-N 3.48Å; E220-R224 IonicContact OE1-CZ 3.48Å; E220-R224 IonicContact OE1-NH1 3.54Å; E220-R224 PolarHBondContact OE1-NH1 2.8Å; E220-R224 IonicContact OE1-NH2 3.39Å; E220-R224 PolarHBondContact OE1-NH2 2.91Å; E220-R224 IonicContact OE2-CZ 2.97Å; E220-R224 IonicContact OE2-NH1 2.97Å; E220-R224 PolarHBondContact OE2-NH1 3.4Å; E220-R224 IonicContact OE2-NH2 3.98Å; E220-R224 PolarHBondContact OE2-NH2 3.05Å
221A98.3Very high98Very high43 Ų43105.1 Ų105.136%0.35551%0.513SS..Hα-helixtrans-60.4-49.4174.700000111.2L217 Q218 Y223 R224 E225L217-A221 WeakPolarHBondContact O-CB 3.33Å; L217-A221 PolarHBondContact O-N 2.98Å; Q218-A221 PolarHBondContact O-N 2.85Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.34Å; A221-R224 PolarHBondContact O-N 2.82Å; A221-E225 WeakPolarHBondContact O-CG 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å
222T98.1Very high98Very high55 Ų55105.8 Ų105.834%0.33751%0.512SS..Hα-helixtrans-62.7-35.417866.80000112.4Q218 L219 R226Q218-T222 WeakPolarHBondContact O-CG2 3.43Å; Q218-T222 PolarHBondContact O-N 2.81Å; Q218-T222 PolarHBondContact O-OG1 3.31Å; L219-T222 PolarHBondContact O-N 2.91Å; L219-T222 PolarHBondContact O-OG1 3.41Å; T222-R226 VanDerWaalsContact O-CG 3.27Å; T222-R226 WeakPolarHBondContact O-CG 3.32Å; T222-R226 PolarHBondContact O-N 2.9Å; T222-R226 VanDerWaalsContact O-N 3.12Å
223Y98.2Very high98Very high144 Ų144103 Ų10357%0.56550%0.503SS*.Hα-helixtrans-64.8-47.7174.2175.4-108000111.8L219 E220 A221 E225 R226 L227L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 2.98Å; E220-Y223 PolarHBondContact O-N 3.14Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 3.34Å; Y223-E225 PolarHBondContact O-N 3.29Å; Y223-R226 PolarHBondContact O-N 2.72Å; Y223-L227 HydrophobicContact CD1-CD1 4.12Å; Y223-L227 HydrophobicContact CE1-CD1 3.5Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.5Å; Y223-L227 HydrophobicContact CE1-CG 4.41Å; Y223-L227 HydrophobicContact CE2-CD1 4.27Å; Y223-L227 HydrophobicContact CE2-CG 4.41Å; Y223-L227 PolarHBondContact O-N 3.41Å; Y223-L227 VanDerWaalsContact O-N 3.11Å
224R98.2Very high98Very high125 Ų125102.2 Ų102.247%0.47251%0.505SS..Hα-helixtrans-62.9-40.2176.7-73-170.6179.8104.13.7112.4E220 A221 R226 L227 Q228E220-R224 VanDerWaalsContact CG-NH1 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.45Å; E220-R224 PolarHBondContact O-N 3.48Å; E220-R224 IonicContact OE1-CZ 3.48Å; E220-R224 IonicContact OE1-NH1 3.54Å; E220-R224 PolarHBondContact OE1-NH1 2.8Å; E220-R224 IonicContact OE1-NH2 3.39Å; E220-R224 PolarHBondContact OE1-NH2 2.91Å; E220-R224 IonicContact OE2-CZ 2.97Å; E220-R224 IonicContact OE2-NH1 2.97Å; E220-R224 PolarHBondContact OE2-NH1 3.4Å; E220-R224 IonicContact OE2-NH2 3.98Å; E220-R224 PolarHBondContact OE2-NH2 3.05Å; A221-R224 PolarHBondContact O-N 2.82Å; R224-R226 PolarHBondContact O-N 3.35Å; R224-L227 PolarHBondContact O-N 3.23Å; R224-Q228 WeakPolarHBondContact O-CB 3.48Å; R224-Q228 WeakPolarHBondContact O-CG 3.3Å; R224-Q228 PolarHBondContact O-N 3.2Å
225E98.2Very high98Very high124 Ų124101.8 Ų101.858%0.57950%0.5SS*.Hα-helixtrans-60-44.1175.4-76.9176.6177.500112.1A221 Y223 Q228 S229A221-E225 WeakPolarHBondContact O-CG 3.18Å; A221-E225 PolarHBondContact O-N 3.26Å; Y223-E225 PolarHBondContact O-N 3.29Å; E225-Q228 PolarHBondContact O-N 2.93Å; E225-S229 WeakPolarHBondContact O-CB 3.21Å; E225-S229 PolarHBondContact O-N 2.83Å
226R98.5Very high98Very high176 Ų176106.3 Ų106.366%0.66451%0.511SS*.Hα-helixtrans-61.3-45.5176.4-71.7169.5-174.7178.63.7111.5T222 Y223 R224 S229 V230T222-R226 VanDerWaalsContact O-CG 3.27Å; T222-R226 WeakPolarHBondContact O-CG 3.32Å; T222-R226 PolarHBondContact O-N 2.9Å; T222-R226 VanDerWaalsContact O-N 3.12Å; Y223-R226 PolarHBondContact O-N 2.72Å; R224-R226 PolarHBondContact O-N 3.35Å; R226-S229 PolarHBondContact O-N 2.89Å; R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 2.79Å
227L98.1Very high98Very high91 Ų91111.5 Ų111.548%0.47652%0.519SS..Hα-helixtrans-61.9-44.7175.7-71.7177.4000112.1Y223 R224 S229 V230 Y231Y223-L227 HydrophobicContact CD1-CD1 4.12Å; Y223-L227 HydrophobicContact CE1-CD1 3.5Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.5Å; Y223-L227 HydrophobicContact CE1-CG 4.41Å; Y223-L227 HydrophobicContact CE2-CD1 4.27Å; Y223-L227 HydrophobicContact CE2-CG 4.41Å; Y223-L227 PolarHBondContact O-N 3.41Å; Y223-L227 VanDerWaalsContact O-N 3.11Å; R224-L227 PolarHBondContact O-N 3.23Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.72Å; L227-V230 PolarHBondContact O-N 3.32Å; L227-Y231 WeakPolarHBondContact O-CB 3.39Å; L227-Y231 PolarHBondContact O-N 3.27Å
228Q98.1Very high98Very high96 Ų96111.5 Ų111.545%0.44952%0.519SS..Hα-helixtrans-63-38.3176.5-74.9-175.22.900112.2R224 E225 Y231 R232R224-Q228 WeakPolarHBondContact O-CB 3.48Å; R224-Q228 WeakPolarHBondContact O-CG 3.3Å; R224-Q228 PolarHBondContact O-N 3.2Å; E225-Q228 PolarHBondContact O-N 2.93Å; Q228-Y231 PolarHBondContact O-N 3.45Å; Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 VanDerWaalsContact O-CG 3.27Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.33Å
229S97.9Very high98.1Very high66 Ų66111.1 Ų111.146%0.46252%0.517SS..Hα-helixtrans-63.7-44.6176.2-176.60000112E225 R226 L227 R232 T233E225-S229 WeakPolarHBondContact O-CB 3.21Å; E225-S229 PolarHBondContact O-N 2.83Å; R226-S229 PolarHBondContact O-N 2.89Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.72Å; S229-R232 PolarHBondContact O-N 3.1Å; S229-T233 WeakPolarHBondContact O-CB 3.31Å; S229-T233 PolarHBondContact O-N 3.18Å; S229-T233 PolarHBondContact O-OG1 2.92Å
230V98.1Very high98.1Very high94 Ų94112.8 Ų112.857%0.5752%0.516SS*.Hα-helixtrans-61.8-48174.3173.70000110.5R226 L227 R232 T233 V234R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 2.79Å; L227-V230 PolarHBondContact O-N 3.32Å; V230-R232 PolarHBondContact O-N 2.89Å; V230-T233 PolarHBondContact O-N 3.44Å; V230-V234 WeakPolarHBondContact O-CG2 3.19Å; V230-V234 PolarHBondContact O-N 3.47Å
231Y98.2Very high98.1Very high158 Ų158113 Ų11362%0.6252%0.517SS*.Hα-helixtrans-56.7-51.2176.8173.8-95.6000112L227 Q228 T233 V234 H235L227-Y231 WeakPolarHBondContact O-CB 3.39Å; L227-Y231 PolarHBondContact O-N 3.27Å; Q228-Y231 PolarHBondContact O-N 3.45Å; Y231-T233 VanDerWaalsContact C-N 3.28Å; Y231-T233 PolarHBondContact O-N 3.48Å; Y231-V234 PolarHBondContact O-N 2.76Å; Y231-H235 VanDerWaalsContact O-CB 3.27Å; Y231-H235 WeakPolarHBondContact O-CB 3.42Å; Y231-H235 PolarHBondContact O-N 3.37Å
232R98.1Very high98Very high160 Ų160114.5 Ų114.560%0.60452%0.522SS*.Hα-helixtrans-58.8-38.9177.9-74.6176.1-172.4148.26.9112Q228 S229 V230 R236Q228-R232 WeakPolarHBondContact O-CB 3.46Å; Q228-R232 VanDerWaalsContact O-CG 3.27Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 3.33Å; S229-R232 PolarHBondContact O-N 3.1Å; V230-R232 PolarHBondContact O-N 2.89Å; R232-R236 VanDerWaalsContact O-CB 3.25Å; R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 PolarHBondContact O-N 2.86Å
233T97.7Very high98Very high65 Ų65116.2 Ų116.240%0.39953%0.526SS..Hα-helixtrans-66.8-44.6178.8-59.30000111.8S229 V230 Y231 R237S229-T233 WeakPolarHBondContact O-CB 3.31Å; S229-T233 PolarHBondContact O-N 3.18Å; S229-T233 PolarHBondContact O-OG1 2.92Å; V230-T233 PolarHBondContact O-N 3.44Å; Y231-T233 VanDerWaalsContact C-N 3.28Å; Y231-T233 PolarHBondContact O-N 3.48Å; T233-R237 WeakPolarHBondContact O-CG 3.15Å; T233-R237 PolarHBondContact O-N 2.96Å
234V98Very high97.9Very high89 Ų89115.2 Ų115.254%0.53952%0.521SS..Hα-helixtrans-67.2-44.7177.2174.40000110.8V230 Y231 R236 R237 L238V230-V234 WeakPolarHBondContact O-CG2 3.19Å; V230-V234 PolarHBondContact O-N 3.47Å; Y231-V234 PolarHBondContact O-N 2.76Å; V234-R236 PolarHBondContact O-N 3.32Å; V234-R237 WeakPolarHBondContact O-CB 3.45Å; V234-R237 PolarHBondContact O-N 2.8Å; V234-L238 PolarHBondContact O-N 2.95Å
235H98.3Very high97.9Very high72 Ų72112.5 Ų112.533%0.33351%0.514SS..Hα-helixtrans-56.7-49.5176.2-171.4-100.2000111.5Y231 R237 L238 E239Y231-H235 VanDerWaalsContact O-CB 3.27Å; Y231-H235 WeakPolarHBondContact O-CB 3.42Å; Y231-H235 PolarHBondContact O-N 3.37Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 3.02Å; H235-L238 WeakPolarHBondContact O-CB 3.36Å; H235-L238 PolarHBondContact O-N 3.43Å; H235-E239 IonicContact CE1-OE1 2.63Å; H235-E239 PolarHBondContact CE1-OE1 2.88Å; H235-E239 IonicContact CE1-OE2 3.9Å; H235-E239 PolarHBondContact CE1-OE2 3.26Å; H235-E239 IonicContact ND1-OE1 3.02Å; H235-E239 PolarHBondContact ND1-OE1 3.25Å; H235-E239 IonicContact ND1-OE2 3.94Å; H235-E239 PolarHBondContact ND1-OE2 3.44Å; H235-E239 IonicContact NE2-OE1 3.54Å; H235-E239 WeakPolarHBondContact O-CG 3.49Å; H235-E239 PolarHBondContact O-N 2.99Å
236R98Very high97.9Very high193 Ų193109.5 Ų109.573%0.72850%0.501SS*.Hα-helixtrans-57.5-37.4177.8-179.1177.9173172.3-0.2112.8R232 V234 Y240R232-R236 VanDerWaalsContact O-CB 3.25Å; R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 PolarHBondContact O-N 2.86Å; V234-R236 PolarHBondContact O-N 3.32Å; R236-Y240 VanDerWaalsContact O-CB 3.3Å; R236-Y240 WeakPolarHBondContact O-CB 3.41Å; R236-Y240 PolarHBondContact O-N 3.49Å
237R97.9Very high97.8Very high168 Ų168104.6 Ų104.663%0.63449%0.491SS*.Hα-helixtrans-67.5-42.6175.8-69.3172.9-176.1-166.21.4111.3T233 V234 H235 Y240 H241T233-R237 WeakPolarHBondContact O-CG 3.15Å; T233-R237 PolarHBondContact O-N 2.96Å; V234-R237 WeakPolarHBondContact O-CB 3.45Å; V234-R237 PolarHBondContact O-N 2.8Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 3.02Å; R237-Y240 PolarHBondContact O-N 2.9Å; R237-H241 PolarHBondContact O-CD2 2.89Å; R237-H241 PolarHBondContact O-N 3.4Å; R237-H241 VanDerWaalsContact O-N 3.09Å
238L97.9Very high97.8Very high110 Ų110108 Ų10858%0.57650%0.497SS*.Hα-helixtrans-65.8-47.7178-176.863.2000111.6V234 H235 Y240 H241 V242V234-L238 PolarHBondContact O-N 2.95Å; H235-L238 WeakPolarHBondContact O-CB 3.36Å; H235-L238 PolarHBondContact O-N 3.43Å; L238-Y240 VanDerWaalsContact C-N 3.28Å; L238-Y240 PolarHBondContact O-N 2.94Å; L238-H241 PolarHBondContact O-N 3.46Å; L238-H241 VanDerWaalsContact O-N 3.1Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 2.88Å
239E98.3Very high97.7Very high105 Ų105109.2 Ų109.249%0.49150%0.501SS..Hα-helixtrans-57.3-42.3175.1-73.3-178129.400111.6H235 H241 V242 E243H235-E239 IonicContact CE1-OE1 2.63Å; H235-E239 PolarHBondContact CE1-OE1 2.88Å; H235-E239 IonicContact CE1-OE2 3.9Å; H235-E239 PolarHBondContact CE1-OE2 3.26Å; H235-E239 IonicContact ND1-OE1 3.02Å; H235-E239 PolarHBondContact ND1-OE1 3.25Å; H235-E239 IonicContact ND1-OE2 3.94Å; H235-E239 PolarHBondContact ND1-OE2 3.44Å; H235-E239 IonicContact NE2-OE1 3.54Å; H235-E239 WeakPolarHBondContact O-CG 3.49Å; H235-E239 PolarHBondContact O-N 2.99Å; E239-H241 VanDerWaalsContact C-N 3.35Å; E239-H241 PolarHBondContact O-N 3.45Å; E239-V242 PolarHBondContact O-N 2.94Å; E239-E243 WeakPolarHBondContact O-CB 3.45Å; E239-E243 PolarHBondContact O-N 3.48Å
240Y98.2Very high97.7Very high150 Ų150112.7 Ų112.759%0.58851%0.505SS*.Hα-helixtrans-58.9-45.1174.6173.5-102.2000112.1R236 R237 L238 R244R236-Y240 VanDerWaalsContact O-CB 3.3Å; R236-Y240 WeakPolarHBondContact O-CB 3.41Å; R236-Y240 PolarHBondContact O-N 3.49Å; R237-Y240 PolarHBondContact O-N 2.9Å; L238-Y240 VanDerWaalsContact C-N 3.28Å; L238-Y240 PolarHBondContact O-N 2.94Å; Y240-R244 VanDerWaalsContact O-CB 3.23Å; Y240-R244 WeakPolarHBondContact O-CB 3.45Å; Y240-R244 PolarHBondContact O-N 2.88Å
241H97.6Very high97.7Very high88 Ų88116 Ų11641%0.40751%0.508SS..Hα-helixtrans-64.2-44.5176.7-73.4-58.1000112.1R237 L238 E239 R244 E245R237-H241 PolarHBondContact O-CD2 2.89Å; R237-H241 PolarHBondContact O-N 3.4Å; R237-H241 VanDerWaalsContact O-N 3.09Å; L238-H241 PolarHBondContact O-N 3.46Å; L238-H241 VanDerWaalsContact O-N 3.1Å; E239-H241 VanDerWaalsContact C-N 3.35Å; E239-H241 PolarHBondContact O-N 3.45Å; H241-R244 PolarHBondContact O-N 3.12Å; H241-E245 WeakPolarHBondContact O-CG 3.19Å; H241-E245 PolarHBondContact O-N 2.9Å
242V97.6Very high97.6Very high76 Ų76112.8 Ų112.846%0.46150%0.501SS..Hα-helixtrans-60.9-47.2177.6171.70000110.9L238 E239 R244 E245 N246L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 2.88Å; E239-V242 PolarHBondContact O-N 2.94Å; V242-R244 PolarHBondContact O-N 3.38Å; V242-E245 PolarHBondContact O-N 3.45Å; V242-N246 WeakPolarHBondContact O-CB 3.24Å; V242-N246 VanDerWaalsContact O-CG 3.27Å; V242-N246 PolarHBondContact O-N 3.35Å; V242-N246 PolarHBondContact O-ND2 3.23Å
243E96.7Very high97.5Very high90 Ų90110.7 Ų110.742%0.42150%0.498SS..Hα-helixtrans-69.1-34.6-179.3-17056.2-153.500112.3E239 N246 T247 R250E239-E243 WeakPolarHBondContact O-CB 3.45Å; E239-E243 PolarHBondContact O-N 3.48Å; E243-N246 PolarHBondContact O-N 3.48Å; E243-T247 VanDerWaalsContact O-CB 3.29Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.27Å; E243-T247 PolarHBondContact O-OG1 3.46Å; E243-R250 IonicContact OE1-NH1 3.74Å
244R97.2Very high97.5Very high123 Ų123113.5 Ų113.546%0.46451%0.506SS..Hα-helixtrans-60.6-46.5172.1-171.7-169.773.71742.9111.3Y240 H241 V242 R248Y240-R244 VanDerWaalsContact O-CB 3.23Å; Y240-R244 WeakPolarHBondContact O-CB 3.45Å; Y240-R244 PolarHBondContact O-N 2.88Å; H241-R244 PolarHBondContact O-N 3.12Å; V242-R244 PolarHBondContact O-N 3.38Å; R244-R248 WeakPolarHBondContact O-CB 3.44Å; R244-R248 PolarHBondContact O-N 2.9Å
245E97.2Very high97.4Very high69 Ų69114.5 Ų114.532%0.32251%0.505SS..Hα-helixtrans-66.8-40.2177.4-65.9-50.4134.900111.9H241 V242 R248 K249H241-E245 WeakPolarHBondContact O-CG 3.19Å; H241-E245 PolarHBondContact O-N 2.9Å; V242-E245 PolarHBondContact O-N 3.45Å; E245-R248 PolarHBondContact O-N 3.25Å; E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 3.34Å
246N97.5Very high97.3Very high60 Ų60116.5 Ų116.532%0.32152%0.515SS..Hα-helixtrans-63.2-44.5175.5-72.6-21.4000112V242 E243 K249 R250V242-N246 WeakPolarHBondContact O-CB 3.24Å; V242-N246 VanDerWaalsContact O-CG 3.27Å; V242-N246 PolarHBondContact O-N 3.35Å; V242-N246 PolarHBondContact O-ND2 3.23Å; E243-N246 PolarHBondContact O-N 3.48Å; N246-K249 PolarHBondContact O-N 3.3Å; N246-R250 WeakPolarHBondContact O-CG 3.48Å; N246-R250 PolarHBondContact O-N 3.3Å
247T97.4Very high97.2Very high73 Ų73111.1 Ų111.145%0.44850%0.504SS..Hα-helixtrans-63.4-43176.5-61.20000111.3E243 K249 R250 Y251E243-T247 VanDerWaalsContact O-CB 3.29Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.27Å; E243-T247 PolarHBondContact O-OG1 3.46Å; T247-K249 PolarHBondContact O-N 3Å; T247-R250 PolarHBondContact O-N 2.94Å; T247-Y251 PolarHBondContact O-N 3.21Å
248R97.6Very high97.1Very high162 Ų162108.3 Ų108.361%0.61150%0.501SS*.Hα-helixtrans-59-47.4174.9-178.5179.9-176.1150.33.9111.8R244 E245 Y251 I252R244-R248 WeakPolarHBondContact O-CB 3.44Å; R244-R248 PolarHBondContact O-N 2.9Å; E245-R248 PolarHBondContact O-N 3.25Å; R248-Y251 PolarHBondContact O-N 3.45Å; R248-I252 HydrophobicContact CG-CD1 3.92Å; R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.48Å
249K97.3Very high97Very high122 Ų122109.5 Ų109.553%0.5350%0.499SS..Hα-helixtrans-60.8-44.4176.9-73.4175.5-177177.30111.6E245 N246 T247 Y251 I252 Q253E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 3.34Å; N246-K249 PolarHBondContact O-N 3.3Å; T247-K249 PolarHBondContact O-N 3Å; K249-Y251 PolarHBondContact O-N 3.45Å; K249-I252 PolarHBondContact O-N 2.99Å; K249-Q253 WeakPolarHBondContact O-CB 3.4Å; K249-Q253 VanDerWaalsContact O-CG 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 3.31Å
250R97.4Very high96.8Very high140 Ų140107.8 Ų107.853%0.52850%0.495SS..Hα-helixtrans-58.9-45175.4-74.7174.9177.61651111.9E243 N246 T247 Q253 Q254E243-R250 IonicContact OE1-NH1 3.74Å; N246-R250 WeakPolarHBondContact O-CG 3.48Å; N246-R250 PolarHBondContact O-N 3.3Å; T247-R250 PolarHBondContact O-N 2.94Å; R250-Q253 PolarHBondContact O-N 3.31Å; R250-Q254 WeakPolarHBondContact O-CB 3.07Å; R250-Q254 WeakPolarHBondContact O-CG 3.32Å; R250-Q254 PolarHBondContact O-N 2.93Å
251Y96.9Very high96.6Very high163 Ų163104.5 Ų104.564%0.63949%0.49SS*.Hα-helixtrans-64.7-44.2178.3-172.7-93.5000112.3T247 R248 K249 Q253 Q254 H255T247-Y251 PolarHBondContact O-N 3.21Å; R248-Y251 PolarHBondContact O-N 3.45Å; K249-Y251 PolarHBondContact O-N 3.45Å; Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 2.98Å; Y251-Q254 PolarHBondContact O-N 2.94Å; Y251-H255 VanDerWaalsContact O-CB 3.31Å; Y251-H255 WeakPolarHBondContact O-CB 3.34Å; Y251-H255 PolarHBondContact O-N 3.33Å
252I97Very high96.4Very high91 Ų91103.6 Ų103.647%0.46749%0.488SS..Hα-helixtrans-60.7-44.8175.6-68.4166.4000110.5R248 K249 H255 M256R248-I252 HydrophobicContact CG-CD1 3.92Å; R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.48Å; K249-I252 PolarHBondContact O-N 2.99Å; I252-H255 PolarHBondContact O-N 2.89Å; I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.4Å; I252-M256 PolarHBondContact O-N 2.96Å
253Q96.6Very high96.1Very high116 Ų116104 Ų10454%0.54249%0.485SS..Hα-helixtrans-61.1-49.4177.1-75.1172.5-16.900111.5K249 R250 Y251 H255 M256 V257K249-Q253 WeakPolarHBondContact O-CB 3.4Å; K249-Q253 VanDerWaalsContact O-CG 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.4Å; K249-Q253 PolarHBondContact O-N 3.31Å; R250-Q253 PolarHBondContact O-N 3.31Å; Y251-Q253 VanDerWaalsContact C-N 3.34Å; Y251-Q253 PolarHBondContact O-N 2.98Å; Q253-H255 PolarHBondContact O-N 2.89Å; Q253-M256 PolarHBondContact O-N 3.38Å; Q253-V257 WeakPolarHBondContact O-CG2 3.29Å; Q253-V257 PolarHBondContact O-N 2.95Å
254Q97Very high95.8Very high123 Ų123103.8 Ų103.858%0.57549%0.49SS*.Hα-helixtrans-60.6-43.6177.3-73.9175.7-2.600112.1R250 Y251 V257 N258R250-Q254 WeakPolarHBondContact O-CB 3.07Å; R250-Q254 WeakPolarHBondContact O-CG 3.32Å; R250-Q254 PolarHBondContact O-N 2.93Å; Y251-Q254 PolarHBondContact O-N 2.94Å; Q254-V257 PolarHBondContact O-N 2.97Å; Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 3.45Å; Q254-N258 PolarHBondContact O-ND2 3.49Å
255H96.3Very high95.4Very high111 Ų111102.5 Ų102.551%0.51450%0.496SS..Hα-helixtrans-62.5-43.8176.2178.865.3000111.9Y251 I252 Q253 N258 W259Y251-H255 VanDerWaalsContact O-CB 3.31Å; Y251-H255 WeakPolarHBondContact O-CB 3.34Å; Y251-H255 PolarHBondContact O-N 3.33Å; I252-H255 PolarHBondContact O-N 2.89Å; Q253-H255 PolarHBondContact O-N 2.89Å; H255-N258 PolarHBondContact O-N 2.83Å; H255-W259 VanDerWaalsContact O-CB 3.25Å; H255-W259 WeakPolarHBondContact O-CB 3.16Å; H255-W259 PolarHBondContact O-N 3.17Å
256M96Very high95Very high113 Ų113106.1 Ų106.156%0.55751%0.51SS*.Hα-helixtrans-62.1-45.3176.7-174.9-175.874.400111.5I252 Q253 W259 V260I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.4Å; I252-M256 PolarHBondContact O-N 2.96Å; Q253-M256 PolarHBondContact O-N 3.38Å; M256-W259 PolarHBondContact O-N 2.97Å; M256-V260 WeakPolarHBondContact O-CB 3.27Å; M256-V260 VanDerWaalsContact O-CG2 3.25Å; M256-V260 WeakPolarHBondContact O-CG2 3.47Å; M256-V260 PolarHBondContact O-N 2.89Å
257V95.9Very high94.5Very high81 Ų81105.2 Ų105.249%0.49152%0.515SS..Hα-helixtrans-60.9-48.5175.7174.50000110.7Q253 Q254 W259 V260 V261Q253-V257 WeakPolarHBondContact O-CG2 3.29Å; Q253-V257 PolarHBondContact O-N 2.95Å; Q254-V257 PolarHBondContact O-N 2.97Å; V257-W259 VanDerWaalsContact C-N 3.34Å; V257-W259 PolarHBondContact O-N 2.97Å; V257-V260 PolarHBondContact O-N 3.48Å; V257-V261 HydrophobicContact CG1-CG2 4.35Å; V257-V261 WeakPolarHBondContact O-CB 3.36Å; V257-V261 VanDerWaalsContact O-CG2 3.27Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.03Å
258N95.4Very high93.7Very high108 Ų108105.1 Ų105.158%0.57851%0.511SS*.Hα-helixtrans-62.3-40.1178.8-71-17.4000112.2Q254 H255 V261 D262Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.24Å; Q254-N258 PolarHBondContact O-N 3.45Å; Q254-N258 PolarHBondContact O-ND2 3.49Å; H255-N258 PolarHBondContact O-N 2.83Å; N258-V261 PolarHBondContact O-N 3.13Å; N258-D262 WeakPolarHBondContact O-CB 3.35Å; N258-D262 PolarHBondContact O-N 3.42Å
259W95.7Very high92.8Very high136 Ų136100.8 Ų100.852%0.51550%0.502SS..Hα-helixtrans-65-44.5176.9-177.794.5000111.8H255 M256 V257 D262 H263H255-W259 VanDerWaalsContact O-CB 3.25Å; H255-W259 WeakPolarHBondContact O-CB 3.16Å; H255-W259 PolarHBondContact O-N 3.17Å; M256-W259 PolarHBondContact O-N 2.97Å; V257-W259 VanDerWaalsContact C-N 3.34Å; V257-W259 PolarHBondContact O-N 2.97Å; W259-D262 PolarHBondContact O-N 3.11Å; W259-H263 AromaticContact CD1-CE1 3.55Å; W259-H263 AromaticContact CD1-ND1 3.76Å; W259-H263 AromaticContact CD2-CE1 3.84Å; W259-H263 AromaticContact CD2-ND1 3.56Å; W259-H263 AromaticContact CE2-CD2 3.99Å; W259-H263 AromaticContact CE2-CE1 3.17Å; W259-H263 AromaticContact CE2-CG 3.88Å; W259-H263 AromaticContact CE2-ND1 3.35Å; W259-H263 VanDerWaalsContact CE2-ND1 3.35Å; W259-H263 AromaticContact CE2-NE2 3.57Å; W259-H263 AromaticContact CG-ND1 3.82Å; W259-H263 AromaticContact CH2-CD2 3.99Å; W259-H263 AromaticContact CZ2-CD2 3.6Å; W259-H263 AromaticContact CZ2-CE1 3.55Å; W259-H263 AromaticContact CZ2-CG 3.84Å; W259-H263 AromaticContact CZ2-ND1 3.78Å; W259-H263 AromaticContact CZ2-NE2 3.41Å; W259-H263 WeakPolarHBondContact CZ2-NE2 3.33Å; W259-H263 AromaticContact NE1-CE1 2.99Å; W259-H263 PolarHBondContact NE1-CE1 3.44Å; W259-H263 AromaticContact NE1-ND1 3.5Å; W259-H263 AromaticContact NE1-NE2 3.65Å; W259-H263 WeakPolarHBondContact O-CB 3.41Å; W259-H263 PolarHBondContact O-N 2.82Å; W259-H263 PolarHBondContact O-ND1 2.8Å
260V94.3Very high91.8Very high69 Ų6999.9 Ų99.942%0.41851%0.509SS..Hα-helixtrans-62.2-45.2176170.30000110.2M256 V257 H263 V264M256-V260 WeakPolarHBondContact O-CB 3.27Å; M256-V260 VanDerWaalsContact O-CG2 3.25Å; M256-V260 WeakPolarHBondContact O-CG2 3.47Å; M256-V260 PolarHBondContact O-N 2.89Å; V257-V260 PolarHBondContact O-N 3.48Å; V260-H263 PolarHBondContact O-N 2.87Å; V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CB 3.48Å; V260-V264 WeakPolarHBondContact O-CG2 3.38Å; V260-V264 PolarHBondContact O-N 3.32Å
261V94Very high90.8Very high81 Ų8195.8 Ų95.849%0.49151%0.505SS..Hα-helixtrans-62.5-47.51781720000111.2V257 N258 H263 V264 V265V257-V261 HydrophobicContact CG1-CG2 4.35Å; V257-V261 WeakPolarHBondContact O-CB 3.36Å; V257-V261 VanDerWaalsContact O-CG2 3.27Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.03Å; N258-V261 PolarHBondContact O-N 3.13Å; V261-H263 PolarHBondContact O-N 2.82Å; V261-V264 PolarHBondContact O-N 3.1Å; V261-V265 HydrophobicContact CG1-CG2 4.4Å; V261-V265 WeakPolarHBondContact O-CB 3.1Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.49Å; V261-V265 PolarHBondContact O-N 2.96Å
262D94Very high90Very high68 Ų6892.8 Ų92.836%0.36450%0.497SS..Hα-helixtrans-63.4-40178.5-178.457.4000112.2N258 W259 V265 K266N258-D262 WeakPolarHBondContact O-CB 3.35Å; N258-D262 PolarHBondContact O-N 3.42Å; W259-D262 PolarHBondContact O-N 3.11Å; D262-V265 PolarHBondContact O-N 3.14Å; D262-K266 WeakPolarHBondContact O-CB 3.44Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 3.33Å; D262-K266 PolarHBondContact OD1-NZ 3.34Å; D262-K266 WeakPolarHBondContact OD2-CE 3.42Å; D262-K266 IonicContact OD2-NZ 2.68Å; D262-K266 PolarHBondContact OD2-NZ 2.88Å
263H91.7Very high89.2Confident86 Ų8693.7 Ų93.740%0.39850%0.499SS..Hα-helixtrans-69.9-37.3175.9-80.266.1000112.8W259 V260 V261 G267W259-H263 AromaticContact CD1-CE1 3.55Å; W259-H263 AromaticContact CD1-ND1 3.76Å; W259-H263 AromaticContact CD2-CE1 3.84Å; W259-H263 AromaticContact CD2-ND1 3.56Å; W259-H263 AromaticContact CE2-CD2 3.99Å; W259-H263 AromaticContact CE2-CE1 3.17Å; W259-H263 AromaticContact CE2-CG 3.88Å; W259-H263 AromaticContact CE2-ND1 3.35Å; W259-H263 VanDerWaalsContact CE2-ND1 3.35Å; W259-H263 AromaticContact CE2-NE2 3.57Å; W259-H263 AromaticContact CG-ND1 3.82Å; W259-H263 AromaticContact CH2-CD2 3.99Å; W259-H263 AromaticContact CZ2-CD2 3.6Å; W259-H263 AromaticContact CZ2-CE1 3.55Å; W259-H263 AromaticContact CZ2-CG 3.84Å; W259-H263 AromaticContact CZ2-ND1 3.78Å; W259-H263 AromaticContact CZ2-NE2 3.41Å; W259-H263 WeakPolarHBondContact CZ2-NE2 3.33Å; W259-H263 AromaticContact NE1-CE1 2.99Å; W259-H263 PolarHBondContact NE1-CE1 3.44Å; W259-H263 AromaticContact NE1-ND1 3.5Å; W259-H263 AromaticContact NE1-NE2 3.65Å; W259-H263 WeakPolarHBondContact O-CB 3.41Å; W259-H263 PolarHBondContact O-N 2.82Å; W259-H263 PolarHBondContact O-ND1 2.8Å; V260-H263 PolarHBondContact O-N 2.87Å; V261-H263 PolarHBondContact O-N 2.82Å; H263-G267 PolarHBondContact O-N 2.84Å
264V90.3Very high88.5Confident84 Ų8495.1 Ų95.151%0.50950%0.504SS..Hα-helixtrans-65.2-46.9173.9169.60000109.9V260 V261 K266 G267 I268V260-V264 HydrophobicContact CG1-CG2 4.27Å; V260-V264 WeakPolarHBondContact O-CB 3.48Å; V260-V264 WeakPolarHBondContact O-CG2 3.38Å; V260-V264 PolarHBondContact O-N 3.32Å; V261-V264 PolarHBondContact O-N 3.1Å; V264-K266 PolarHBondContact O-N 2.87Å; V264-G267 PolarHBondContact O-N 2.87Å; V264-I268 HydrophobicContact CG1-CD1 4.09Å; V264-I268 WeakPolarHBondContact O-CD1 3.26Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.2Å; V264-I268 VanDerWaalsContact O-N 3.15Å
265V88.6Confident87.9Confident97 Ų9794 Ų9459%0.58850%0.502SS*.Hα-helixtrans-61.6-41177.7172.30000111.9V261 D262V261-V265 HydrophobicContact CG1-CG2 4.4Å; V261-V265 WeakPolarHBondContact O-CB 3.1Å; V261-V265 VanDerWaalsContact O-CG2 3.26Å; V261-V265 WeakPolarHBondContact O-CG2 3.49Å; V261-V265 PolarHBondContact O-N 2.96Å; D262-V265 PolarHBondContact O-N 3.14Å
266K88.4Confident87.5Confident145 Ų14592.9 Ų92.963%0.6350%0.503SS*.Hα-helixtrans-71.8-32.6175.7-74.8170.9178.8166.20113.7D262 V264 I268D262-K266 WeakPolarHBondContact O-CB 3.44Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.44Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 WeakPolarHBondContact OD1-CE 3.47Å; D262-K266 IonicContact OD1-NZ 3.33Å; D262-K266 PolarHBondContact OD1-NZ 3.34Å; D262-K266 WeakPolarHBondContact OD2-CE 3.42Å; D262-K266 IonicContact OD2-NZ 2.68Å; D262-K266 PolarHBondContact OD2-NZ 2.88Å; V264-K266 PolarHBondContact O-N 2.87Å; K266-I268 VanDerWaalsContact C-N 3.28Å
267G86.3Confident87.1Confident41 Ų4192.9 Ų92.942%0.42350%0.504SS..Hα-helixtrans-74.4-19-179.900000113.5H263 V264 T269 Q272H263-G267 PolarHBondContact O-N 2.84Å; V264-G267 PolarHBondContact O-N 2.87Å; G267-T269 PolarHBondContact O-N 3.07Å; G267-Q272 PolarHBondContact O-OE1 3.39Å
268I80.7Confident86.7Confident70 Ų7091.8 Ų91.836%0.35950%0.498SS..  trans-72.692.1175.1-68.6161.6000109.1V264 K266 E273V264-I268 HydrophobicContact CG1-CD1 4.09Å; V264-I268 WeakPolarHBondContact O-CD1 3.26Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.2Å; V264-I268 VanDerWaalsContact O-N 3.15Å; K266-I268 VanDerWaalsContact C-N 3.28Å; I268-E273 HydrophobicContact CG2-CG 3.12Å; I268-E273 VanDerWaalsContact CG2-OE1 3.28Å; I268-E273 WeakPolarHBondContact CG2-OE1 3.24Å
269T78.3Confident86.4Confident71 Ų7192.5 Ų92.544%0.43650%0.497SS..  trans-68.6143.2170.9-430000108.9G267 A271 Q272 E273G267-T269 PolarHBondContact O-N 3.07Å; T269-A271 HydrophobicContact CG2-CB 4.27Å; T269-A271 PolarHBondContact O-N 3.22Å; T269-Q272 WeakPolarHBondContact O-CA 3.17Å; T269-Q272 WeakPolarHBondContact O-CB 3.14Å; T269-Q272 PolarHBondContact O-N 3.27Å; T269-E273 PolarHBondContact O-N 3.11Å
270P77.9Confident86.1Confident103 Ų10389 Ų8967%0.66949%0.493SS*.Hα-helixtrans-56.9-24.6176.320.5-33.8000113.3K274P270-K274 PolarHBondContact O-N 2.84Å; P270-K274 VanDerWaalsContact O-N 3.16Å
271A76Confident85.9Confident54 Ų5489.9 Ų89.945%0.44649%0.494SS..Hα-helixtrans-67.3-42.3169.900000112.7T269 K274 D275T269-A271 HydrophobicContact CG2-CB 4.27Å; T269-A271 PolarHBondContact O-N 3.22Å; A271-K274 PolarHBondContact O-N 3.34Å; A271-D275 WeakPolarHBondContact O-CB 2.93Å; A271-D275 VanDerWaalsContact O-CG 3.31Å; A271-D275 PolarHBondContact O-N 2.94Å
272Q79.2Confident85.7Confident101 Ų10190.4 Ų90.447%0.47249%0.494SS..Hα-helixtrans-68.3-35.7176-75.5-177.5-1500112.2G267 T269 K274 D275 T276G267-Q272 PolarHBondContact O-OE1 3.39Å; T269-Q272 WeakPolarHBondContact O-CA 3.17Å; T269-Q272 WeakPolarHBondContact O-CB 3.14Å; T269-Q272 PolarHBondContact O-N 3.27Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; Q272-D275 PolarHBondContact O-N 3.05Å; Q272-T276 VanDerWaalsContact O-CB 3.25Å; Q272-T276 WeakPolarHBondContact O-CB 3.44Å; Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.31Å
273E80.5Confident85.6Confident109 Ų10990.7 Ų90.751%0.50949%0.494SS..Hα-helixtrans-59.9-46.6171.2-65.5-171155.300110.6I268 T269 T276 L277I268-E273 HydrophobicContact CG2-CG 3.12Å; I268-E273 VanDerWaalsContact CG2-OE1 3.28Å; I268-E273 WeakPolarHBondContact CG2-OE1 3.24Å; T269-E273 PolarHBondContact O-N 3.11Å; E273-T276 PolarHBondContact O-N 3.48Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 WeakPolarHBondContact O-CG 3.21Å; E273-L277 PolarHBondContact O-N 2.94Å
274K82.5Confident85.5Confident146 Ų14692 Ų9264%0.63550%0.503SS*.Hα-helixtrans-64.2-43.7178.2-168.4177.6179.8-179.50112.1P270 A271 Q272 L277 T278P270-K274 PolarHBondContact O-N 2.84Å; P270-K274 VanDerWaalsContact O-N 3.16Å; A271-K274 PolarHBondContact O-N 3.34Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; K274-L277 PolarHBondContact O-N 3.4Å; K274-T278 VanDerWaalsContact O-CG2 3.25Å; K274-T278 WeakPolarHBondContact O-CG2 3.12Å; K274-T278 PolarHBondContact O-N 3.11Å
275D84.9Confident85.3Confident101 Ų10193.8 Ų93.854%0.5450%0.504SS..Hα-helixtrans-65.3-41.8178-72.5-11.4000111A271 Q272 T278 H279A271-D275 WeakPolarHBondContact O-CB 2.93Å; A271-D275 VanDerWaalsContact O-CG 3.31Å; A271-D275 PolarHBondContact O-N 2.94Å; Q272-D275 PolarHBondContact O-N 3.05Å; D275-T278 WeakPolarHBondContact CA-OG1 3.28Å; D275-T278 PolarHBondContact O-N 3.27Å; D275-T278 PolarHBondContact O-OG1 3.05Å; D275-H279 WeakPolarHBondContact O-CB 3.31Å; D275-H279 PolarHBondContact O-N 2.83Å
276T86.2Confident85.3Confident86 Ų8696.5 Ų96.553%0.52850%0.504SS..Hα-helixtrans-62.4-44.1174.2-54.20000111Q272 E273 T278 H279 C280Q272-T276 VanDerWaalsContact O-CB 3.25Å; Q272-T276 WeakPolarHBondContact O-CB 3.44Å; Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.31Å; E273-T276 PolarHBondContact O-N 3.48Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 3.36Å; T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.33Å; T276-C280 PolarHBondContact O-N 3.32Å; T276-C280 PolarHBondContact O-SG 3.48Å
277L88Confident85.2Confident113 Ų11394.4 Ų94.459%0.59250%0.499SS*.Hα-helixtrans-61-40.6173.8-73.1170.7000111.7E273 K274 C280 I281E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 WeakPolarHBondContact O-CG 3.21Å; E273-L277 PolarHBondContact O-N 2.94Å; K274-L277 PolarHBondContact O-N 3.4Å; L277-C280 PolarHBondContact O-N 3.45Å; L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 2.89Å
278T87.3Confident85.2Confident58 Ų5894.5 Ų94.536%0.35650%0.496SS..Hα-helixtrans-67.5-37.3175.365.60000112.1K274 D275 T276 I281 N282K274-T278 VanDerWaalsContact O-CG2 3.25Å; K274-T278 WeakPolarHBondContact O-CG2 3.12Å; K274-T278 PolarHBondContact O-N 3.11Å; D275-T278 WeakPolarHBondContact CA-OG1 3.28Å; D275-T278 PolarHBondContact O-N 3.27Å; D275-T278 PolarHBondContact O-OG1 3.05Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 3.36Å; T278-I281 PolarHBondContact O-N 3.32Å; T278-N282 WeakPolarHBondContact O-CB 3.49Å; T278-N282 PolarHBondContact O-N 3.13Å; T278-N282 PolarHBondContact O-ND2 3.48Å
279H89.4Confident85.2Confident123 Ų12397.4 Ų97.457%0.56951%0.508SS*.Hα-helixtrans-63.5-45.2173.3-174.8-79.7000110.8D275 T276 I281 N282 E283D275-H279 WeakPolarHBondContact O-CB 3.31Å; D275-H279 PolarHBondContact O-N 2.83Å; T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.33Å; H279-I281 VanDerWaalsContact C-N 3.34Å; H279-I281 PolarHBondContact O-N 3.32Å; H279-N282 CarbonylContact O-C 3.52Å; H279-N282 PolarHBondContact O-N 2.89Å; H279-N282 VanDerWaalsContact O-N 3.13Å; H279-E283 WeakPolarHBondContact O-CB 3.34Å; H279-E283 PolarHBondContact O-N 3.07Å
280C90.1Very high85.3Confident62 Ų6296.7 Ų96.742%0.41951%0.509SS..Hα-helixtrans-58.9-42.6173.3-68.70000112T276 L277 N282 E283 L284T276-C280 PolarHBondContact O-N 3.32Å; T276-C280 PolarHBondContact O-SG 3.48Å; L277-C280 PolarHBondContact O-N 3.45Å; C280-N282 VanDerWaalsContact C-N 3.32Å; C280-N282 PolarHBondContact O-N 2.84Å; C280-E283 PolarHBondContact O-N 3.2Å; C280-L284 WeakPolarHBondContact O-CB 3.41Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.24Å
281I90.8Very high85.3Confident88 Ų8894.8 Ų94.845%0.45150%0.498SS..Hα-helixtrans-63.2-39.3174.9-70164.6000111L277 T278 H279 L284 K285L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 2.89Å; T278-I281 PolarHBondContact O-N 3.32Å; H279-I281 VanDerWaalsContact C-N 3.34Å; H279-I281 PolarHBondContact O-N 3.32Å; I281-L284 PolarHBondContact O-N 3.35Å; I281-K285 HydrophobicContact CG2-CD 4.31Å; I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.49Å; I281-K285 PolarHBondContact O-N 3.47Å
282N88.9Confident84.9Confident92 Ų92100 Ų10049%0.49251%0.511SS..Hα-helixtrans-71.2-39.9178.1-71.2-25.1000112.4T278 H279 C280 K285 R286T278-N282 WeakPolarHBondContact O-CB 3.49Å; T278-N282 PolarHBondContact O-N 3.13Å; T278-N282 PolarHBondContact O-ND2 3.48Å; H279-N282 CarbonylContact O-C 3.52Å; H279-N282 PolarHBondContact O-N 2.89Å; H279-N282 VanDerWaalsContact O-N 3.13Å; C280-N282 VanDerWaalsContact C-N 3.32Å; C280-N282 PolarHBondContact O-N 2.84Å; N282-K285 PolarHBondContact O-N 3.04Å; N282-R286 WeakPolarHBondContact O-CB 3.45Å; N282-R286 PolarHBondContact O-N 2.92Å
283E91.9Very high84.1Confident74 Ų74101.3 Ų101.335%0.34653%0.525SS..Hα-helixtrans-58.7-47.6170.2-100.3-92.2122.600110.8H279 C280 K285 R286 L287H279-E283 WeakPolarHBondContact O-CB 3.34Å; H279-E283 PolarHBondContact O-N 3.07Å; C280-E283 PolarHBondContact O-N 3.2Å; E283-K285 PolarHBondContact O-N 2.95Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-CZ 3.4Å; E283-R286 IonicContact OE1-NE 3.61Å; E283-R286 IonicContact OE1-NH2 2.69Å; E283-R286 PolarHBondContact OE1-NH2 3.45Å; E283-L287 WeakPolarHBondContact O-CB 3.42Å; E283-L287 WeakPolarHBondContact O-CG 3.28Å; E283-L287 PolarHBondContact O-N 3.21Å
284L89.5Confident83.2Confident114 Ų114101.4 Ų101.460%0.59753%0.533SS*.Hα-helixtrans-62-40.2174.5-74.3169000112C280 I281 L287 A288C280-L284 WeakPolarHBondContact O-CB 3.41Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.24Å; I281-L284 PolarHBondContact O-N 3.35Å; L284-L287 PolarHBondContact O-N 3.4Å; L284-A288 VanDerWaalsContact O-CB 3.25Å; L284-A288 WeakPolarHBondContact O-CB 3.25Å; L284-A288 PolarHBondContact O-N 3.07Å
285K87Confident81.5Confident122 Ų12299 Ų9953%0.5353%0.531SS..Hα-helixtrans-64.1-39.6173.5-79.9177179.8177.20111.9I281 N282 E283 A288 Q289I281-K285 HydrophobicContact CG2-CD 4.31Å; I281-K285 WeakPolarHBondContact O-CB 3.4Å; I281-K285 VanDerWaalsContact O-CG 3.31Å; I281-K285 WeakPolarHBondContact O-CG 3.49Å; I281-K285 PolarHBondContact O-N 3.47Å; N282-K285 PolarHBondContact O-N 3.04Å; E283-K285 PolarHBondContact O-N 2.95Å; K285-A288 PolarHBondContact O-N 3.39Å; K285-Q289 WeakPolarHBondContact O-CB 3.49Å; K285-Q289 WeakPolarHBondContact O-CG 3.3Å; K285-Q289 PolarHBondContact O-N 3.42Å
286R87Confident79.5Confident154 Ų15499.8 Ų99.858%0.58154%0.541SS*.Hα-helixtrans-65.6-45.6176.5-171.1-178.973.4150.60.2110.9N282 E283 A288 Q289 A290N282-R286 WeakPolarHBondContact O-CB 3.45Å; N282-R286 PolarHBondContact O-N 2.92Å; E283-R286 WeakPolarHBondContact O-CB 3.47Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-CZ 3.4Å; E283-R286 IonicContact OE1-NE 3.61Å; E283-R286 IonicContact OE1-NH2 2.69Å; E283-R286 PolarHBondContact OE1-NH2 3.45Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 3.37Å; R286-Q289 PolarHBondContact O-N 2.97Å; R286-A290 WeakPolarHBondContact O-CB 3.47Å; R286-A290 PolarHBondContact O-N 3.36Å
287L87.7Confident77.1Confident100 Ų100105.3 Ų105.352%0.52458%0.575SS.*Hα-helixtrans-61.9-38.9173.6-72171000111.6E283 L284 A290 S291E283-L287 WeakPolarHBondContact O-CB 3.42Å; E283-L287 WeakPolarHBondContact O-CG 3.28Å; E283-L287 PolarHBondContact O-N 3.21Å; L284-L287 PolarHBondContact O-N 3.4Å; L287-A290 PolarHBondContact O-N 2.73Å; L287-S291 WeakPolarHBondContact O-CB 3.22Å; L287-S291 PolarHBondContact O-N 2.86Å
288A85.5Confident76.6Confident43 Ų43105 Ų10536%0.35557%0.574SS.*Hα-helixtrans-70.9-32.117600000113.5L284 K285 R286 S291 K292L284-A288 VanDerWaalsContact O-CB 3.25Å; L284-A288 WeakPolarHBondContact O-CB 3.25Å; L284-A288 PolarHBondContact O-N 3.07Å; K285-A288 PolarHBondContact O-N 3.39Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 3.37Å; A288-S291 WeakPolarHBondContact CA-OG 3.37Å; A288-S291 PolarHBondContact O-OG 3.41Å; A288-K292 WeakPolarHBondContact O-CB 3.49Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 2.88Å
289Q80.9Confident76Confident132 Ų132107.4 Ų107.462%0.61759%0.586SS**Hα-helixtrans-71.9-41.8171.7-75.9175.6-8.900110.8K285 R286 S291 K292 V293K285-Q289 WeakPolarHBondContact O-CB 3.49Å; K285-Q289 WeakPolarHBondContact O-CG 3.3Å; K285-Q289 PolarHBondContact O-N 3.42Å; R286-Q289 PolarHBondContact O-N 2.97Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 2.81Å; Q289-K292 PolarHBondContact O-N 3.1Å; Q289-V293 VanDerWaalsContact O-CG2 3.31Å; Q289-V293 WeakPolarHBondContact O-CG2 3.43Å; Q289-V293 PolarHBondContact O-N 3.32Å
290A80.1Confident75.3Confident55 Ų55106.6 Ų106.646%0.45559%0.586SS.*Hα-helixtrans-60.7-36.8172.800000111.8R286 L287 T294R286-A290 WeakPolarHBondContact O-CB 3.47Å; R286-A290 PolarHBondContact O-N 3.36Å; L287-A290 PolarHBondContact O-N 2.73Å; A290-T294 PolarHBondContact O-N 3.41Å; A290-T294 PolarHBondContact O-OG1 3.42Å
291S78.3Confident74.4Confident63 Ų63109.2 Ų109.244%0.44160%0.596SS.*Hα-helixtrans-71.1-40.5174.5730000112.6L287 A288 Q289 V293 T294 T295L287-S291 WeakPolarHBondContact O-CB 3.22Å; L287-S291 PolarHBondContact O-N 2.86Å; A288-S291 WeakPolarHBondContact CA-OG 3.37Å; A288-S291 PolarHBondContact O-OG 3.41Å; Q289-S291 VanDerWaalsContact C-N 3.27Å; Q289-S291 PolarHBondContact O-N 2.81Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.22Å; S291-T294 CarbonylContact O-C 3.6Å; S291-T294 WeakPolarHBondContact O-CA 3.26Å; S291-T294 WeakPolarHBondContact O-CB 3.5Å; S291-T294 PolarHBondContact O-N 3.1Å; S291-T295 PolarHBondContact O-N 2.99Å; S291-T295 PolarHBondContact O-OG1 2.86Å
292K67.2Low73.4Confident164 Ų164110.5 Ų110.571%0.71361%0.605SS**Hα-helixtrans-63.3-34.6174.7-77.3-178.8-179.1-170.90113.7A288 Q289 T294 T295A288-K292 WeakPolarHBondContact O-CB 3.49Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 2.88Å; Q289-K292 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-N 3.31Å; K292-T295 PolarHBondContact O-N 2.93Å
293V62.9Low72.3Confident128 Ų128111.7 Ų111.778%0.77661%0.613SS**Hα-helixtrans-69-18.7173.3173.90000111.4Q289 S291Q289-V293 VanDerWaalsContact O-CG2 3.31Å; Q289-V293 WeakPolarHBondContact O-CG2 3.43Å; Q289-V293 PolarHBondContact O-N 3.32Å; S291-V293 VanDerWaalsContact C-N 3.34Å; S291-V293 PolarHBondContact O-N 3.22Å
294T60.3Low70.9Confident112 Ų112114.4 Ų114.469%0.68763%0.632SS**THydrogen-bonded Turntrans-97.26.7-179.2-49.70000112.8A290 S291 K292A290-T294 PolarHBondContact O-N 3.41Å; A290-T294 PolarHBondContact O-OG1 3.42Å; S291-T294 CarbonylContact O-C 3.6Å; S291-T294 WeakPolarHBondContact O-CA 3.26Å; S291-T294 WeakPolarHBondContact O-CB 3.5Å; S291-T294 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-N 3.31Å
295T47.3Very low69.5Low95 Ų95114.5 Ų114.558%0.58364%0.635SS**  trans-129.793.7175.6-36.90000111.2S291 K292S291-T295 PolarHBondContact O-N 2.99Å; S291-T295 PolarHBondContact O-OG1 2.86Å; K292-T295 PolarHBondContact O-N 2.93Å
296P43.5Very low68.1Low117 Ų117113.8 Ų113.876%0.7664%0.643SS**  trans-83.7108.5165.831.4-26.3000108.9
297V36Very low66.3Low203 Ų203110.2 Ų110.2100%1.2365%0.649SS**  trans79.80-178.5-169.30000114.7

Retrieved 297 of 297 residues in 99.8 ms (Link to these results)