G4VTA1_SCHMA Loading...

Putative fun14 domain containing

AlphaFold DB (A0A5K4EG51), UniProt , Accession G4VTA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 123 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M58.4Low77.9Confident208 Ų208116.3 Ų116.3100%1.02559%0.585SS**  0-4.70-81.8164.7172.200113.7R3 T4M1-R3 PolarHBondContact O-N 3.3Å; M1-T4 PolarHBondContact O-OG1 3.01Å
2T69.5Low78.3Confident115 Ų115114.7 Ų114.771%0.70658%0.579SS**Hα-helixtrans-74.6-21.6-171.251.10000116.7T4 D6T2-T4 PolarHBondContact O-N 3.11Å; T2-D6 PolarHBondContact O-N 3.36Å
3R75Confident78.8Confident188 Ų188110.9 Ų110.971%0.70957%0.565SS**Hα-helixtrans-66.9-38.5-175.4-172.777.8147.5101.73.4112.4M1 Q7M1-R3 PolarHBondContact O-N 3.3Å; R3-Q7 WeakPolarHBondContact O-CG 3.5Å; R3-Q7 PolarHBondContact O-N 3.33Å
4T76.9Confident79Confident105 Ų105109.7 Ų109.764%0.64457%0.566SS**Hα-helixtrans-77.8-38.4-176.346.70000112.1M1 T2 Q7 S8M1-T4 PolarHBondContact O-OG1 3.01Å; T2-T4 PolarHBondContact O-N 3.11Å; T4-Q7 PolarHBondContact O-N 3.48Å; T4-S8 PolarHBondContact O-N 3Å
5E78.4Confident79.2Confident122 Ų122108.7 Ų108.757%0.5757%0.566SS**Hα-helixtrans-61.4-45.9175.3-72169.1109.800110.8Q7 S8 E9E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.06Å; E5-S8 WeakPolarHBondContact O-CB 3.28Å; E5-S8 PolarHBondContact O-N 3.36Å; E5-S8 VanDerWaalsContact O-N 3.15Å; E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.91Å
6D83.6Confident79.4Confident84 Ų84109.7 Ų109.745%0.44957%0.565SS.*Hα-helixtrans-59.1-42.1176.3177.283.3000112.6T2 E9 R10T2-D6 PolarHBondContact O-N 3.36Å; D6-E9 PolarHBondContact O-N 3.46Å; D6-R10 WeakPolarHBondContact O-CB 3.38Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.15Å; D6-R10 VanDerWaalsContact OD2-CD 3.31Å; D6-R10 WeakPolarHBondContact OD2-CD 3.26Å
7Q81.3Confident79.6Confident78 Ų78109.1 Ų109.136%0.36456%0.563SS.*Hα-helixtrans-67.1-38.4176.8-61.6-55.9-86.900112.2R3 T4 E5 R10 A11R3-Q7 WeakPolarHBondContact O-CG 3.5Å; R3-Q7 PolarHBondContact O-N 3.33Å; T4-Q7 PolarHBondContact O-N 3.48Å; E5-Q7 VanDerWaalsContact C-N 3.35Å; E5-Q7 PolarHBondContact O-N 3.06Å; Q7-R10 PolarHBondContact O-N 3Å; Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.33Å; Q7-A11 PolarHBondContact O-N 3.42Å
8S81.5Confident79.6Confident59 Ų59107.1 Ų107.141%0.41356%0.557SS.*Hα-helixtrans-62.8-48.8175.2-178.40000110.6T4 E5 R10 A11 L12T4-S8 PolarHBondContact O-N 3Å; E5-S8 WeakPolarHBondContact O-CB 3.28Å; E5-S8 PolarHBondContact O-N 3.36Å; E5-S8 VanDerWaalsContact O-N 3.15Å; S8-R10 VanDerWaalsContact C-N 3.33Å; S8-R10 PolarHBondContact O-N 3.47Å; S8-A11 PolarHBondContact O-N 3.24Å; S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 3.11Å
9E85.6Confident79.3Confident119 Ų119104.6 Ų104.656%0.55654%0.544SS*.Hα-helixtrans-61.1-41.9178-71.5-64.5119.900111.4E5 D6 L12 T13E5-E9 WeakPolarHBondContact O-CG 3.41Å; E5-E9 PolarHBondContact O-N 2.91Å; D6-E9 PolarHBondContact O-N 3.46Å; E9-L12 PolarHBondContact O-N 3.17Å; E9-T13 VanDerWaalsContact O-CB 3.27Å; E9-T13 WeakPolarHBondContact O-CB 3.1Å; E9-T13 PolarHBondContact O-N 3.14Å; E9-T13 PolarHBondContact O-OG1 3.39Å
10R86.5Confident79.2Confident147 Ų147103.4 Ų103.456%0.55554%0.538SS*.Hα-helixtrans-64.9-43.4175.2-71.7176.870.9-148.7-0.6111.9D6 Q7 S8 T13 V14D6-R10 WeakPolarHBondContact O-CB 3.38Å; D6-R10 WeakPolarHBondContact O-CG 3.39Å; D6-R10 PolarHBondContact O-N 3.15Å; D6-R10 VanDerWaalsContact OD2-CD 3.31Å; D6-R10 WeakPolarHBondContact OD2-CD 3.26Å; Q7-R10 PolarHBondContact O-N 3Å; S8-R10 VanDerWaalsContact C-N 3.33Å; S8-R10 PolarHBondContact O-N 3.47Å; R10-T13 PolarHBondContact O-N 2.76Å; R10-V14 WeakPolarHBondContact O-CG2 3.33Å; R10-V14 PolarHBondContact O-N 3.25Å
11A80.4Confident79Confident54 Ų54104 Ų10445%0.44654%0.542SS..Hα-helixtrans-65.4-4517700000111.6Q7 S8 T13 V14 V15Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.33Å; Q7-A11 PolarHBondContact O-N 3.42Å; S8-A11 PolarHBondContact O-N 3.24Å; A11-T13 VanDerWaalsContact C-N 3.29Å; A11-T13 PolarHBondContact O-N 2.89Å; A11-V14 PolarHBondContact O-N 3.47Å; A11-V15 WeakPolarHBondContact O-CB 3.48Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 2.92Å
12L82Confident79.4Confident97 Ų9795.7 Ų95.751%0.50850%0.501SS..Hα-helixtrans-60.6-40.1174.2-72.4173.1000111S8 E9 V15 K16S8-L12 VanDerWaalsContact O-CB 3.29Å; S8-L12 WeakPolarHBondContact O-CB 3.3Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 3.17Å; L12-V15 PolarHBondContact O-N 3.48Å; L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å
13T85.5Confident79.2Confident66 Ų6696 Ų9641%0.40549%0.493SS..Hα-helixtrans-64.5-48.3175.6-57.50000111E9 R10 A11 V15 K16 D17E9-T13 VanDerWaalsContact O-CB 3.27Å; E9-T13 WeakPolarHBondContact O-CB 3.1Å; E9-T13 PolarHBondContact O-N 3.14Å; E9-T13 PolarHBondContact O-OG1 3.39Å; R10-T13 PolarHBondContact O-N 2.76Å; A11-T13 VanDerWaalsContact C-N 3.29Å; A11-T13 PolarHBondContact O-N 2.89Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.5Å; T13-K16 CarbonylContact O-C 3.59Å; T13-K16 PolarHBondContact O-N 3.3Å; T13-K16 VanDerWaalsContact O-N 3.17Å; T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.35Å
14V81.2Confident78.8Confident94 Ų9491.3 Ų91.357%0.5749%0.489SS*.Hα-helixtrans-60.9-42.3176.7170.20000111.2R10 A11 T18R10-V14 WeakPolarHBondContact O-CG2 3.33Å; R10-V14 PolarHBondContact O-N 3.25Å; A11-V14 PolarHBondContact O-N 3.47Å; V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.18Å; V14-T18 PolarHBondContact O-OG1 2.94Å
15V82.3Confident78Confident95 Ų9594.2 Ų94.258%0.57649%0.488SS*.Hα-helixtrans-64.7-42.1175.8170.60000110.9A11 L12 T13 L19A11-V15 WeakPolarHBondContact O-CB 3.48Å; A11-V15 VanDerWaalsContact O-CG2 3.24Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 2.92Å; L12-V15 PolarHBondContact O-N 3.48Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.5Å; V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 3.08Å
16K82.4Confident77.1Confident124 Ų12493.6 Ų93.654%0.53950%0.495SS..Hα-helixtrans-69.6-43.4179.4-174.7-175.6172.1-167.60112.3L12 T13 T18 L19 D20L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å; T13-K16 CarbonylContact O-C 3.59Å; T13-K16 PolarHBondContact O-N 3.3Å; T13-K16 VanDerWaalsContact O-N 3.17Å; K16-T18 VanDerWaalsContact C-N 3.34Å; K16-L19 CarbonylContact O-C 3.49Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.28Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-L19 VanDerWaalsContact O-N 3.12Å; K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.42Å
17D83.4Confident75.8Confident99 Ų9997.5 Ų97.553%0.52951%0.51SS..Hα-helixtrans-64.2-43.3176-76.6-4.3000110.2T13 L19 D20 D21T13-D17 WeakPolarHBondContact O-CB 3.48Å; T13-D17 PolarHBondContact O-N 3.35Å; D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 3.25Å; D17-D20 PolarHBondContact O-N 3.37Å; D17-D21 WeakPolarHBondContact O-CB 3.28Å; D17-D21 PolarHBondContact O-N 2.97Å
18T78.9Confident74.8Confident74 Ų7498.5 Ų98.545%0.45451%0.511SS..Hα-helixtrans-60.4-41172-56.90000110.4V14 K16 I22V14-T18 WeakPolarHBondContact O-CB 3.42Å; V14-T18 PolarHBondContact O-N 3.18Å; V14-T18 PolarHBondContact O-OG1 2.94Å; K16-T18 VanDerWaalsContact C-N 3.34Å; T18-I22 HydrophobicContact CG2-CD1 3.71Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; T18-I22 WeakPolarHBondContact O-CB 3.45Å; T18-I22 VanDerWaalsContact O-CD1 3.28Å; T18-I22 WeakPolarHBondContact O-CD1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.3Å; T18-I22 PolarHBondContact O-N 2.88Å
19L73.3Confident74.2Confident60 Ų60100.3 Ų100.331%0.31451%0.512SS..Hα-helixtrans-64.1-44176.4166.862.5000112.4V15 K16 D17 I22 K23 I32V15-L19 WeakPolarHBondContact O-CB 3.19Å; V15-L19 PolarHBondContact O-N 3.08Å; K16-L19 CarbonylContact O-C 3.49Å; K16-L19 WeakPolarHBondContact O-CA 3.31Å; K16-L19 VanDerWaalsContact O-CB 3.28Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.49Å; K16-L19 VanDerWaalsContact O-N 3.12Å; D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 3.25Å; L19-I22 PolarHBondContact O-N 3.41Å; L19-K23 VanDerWaalsContact O-CB 3.28Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 PolarHBondContact O-N 3.36Å; L19-I32 HydrophobicContact CD1-CB 4.01Å; L19-I32 HydrophobicContact CD1-CD1 3.2Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.39Å
20D77.3Confident73.6Confident79 Ų7999.5 Ų99.542%0.42251%0.508SS..Hα-helixtrans-71.5-40.9-178.2-81.5-19.5000111.4K16 D17 I22 K23 S24K16-D20 WeakPolarHBondContact O-CB 3.47Å; K16-D20 PolarHBondContact O-N 3.42Å; D17-D20 PolarHBondContact O-N 3.37Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 2.86Å; D20-K23 PolarHBondContact O-N 3.15Å; D20-S24 PolarHBondContact O-N 3.28Å
21D76.6Confident73.2Confident117 Ų11794.3 Ų94.363%0.62649%0.493SS*.Hα-helixtrans-63.1-37.1172.7-170.864.8000111.7D17 S24D17-D21 WeakPolarHBondContact O-CB 3.28Å; D17-D21 PolarHBondContact O-N 2.97Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å
22I65.9Low73.1Confident34 Ų3494 Ų9417%0.17448%0.483CS..Hα-helixtrans-68.8-44.7175.1-75.7173.5000111.6T18 L19 D20 S24 R25 R28 I32T18-I22 HydrophobicContact CG2-CD1 3.71Å; T18-I22 HydrophobicContact CG2-CG1 4.49Å; T18-I22 WeakPolarHBondContact O-CB 3.45Å; T18-I22 VanDerWaalsContact O-CD1 3.28Å; T18-I22 WeakPolarHBondContact O-CD1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.3Å; T18-I22 PolarHBondContact O-N 2.88Å; L19-I22 PolarHBondContact O-N 3.41Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 2.86Å; I22-S24 PolarHBondContact O-N 3.28Å; I22-R25 PolarHBondContact O-N 2.96Å; I22-R25 VanDerWaalsContact O-N 3.08Å; I22-R28 HydrophobicContact CG2-CB 3.62Å; I22-R28 HydrophobicContact CG2-CG 4.04Å; I22-I32 HydrophobicContact CB-CD1 4.4Å; I22-I32 HydrophobicContact CG2-CD1 3.51Å; I22-I32 HydrophobicContact CG2-CG1 3.92Å
23K65.2Low73.2Confident120 Ų12094.8 Ų94.852%0.52249%0.487SS..Hα-helixtrans-62.5-25.7-178.1-174.7-177.8175.8-168.80112.4L19 D20 R25L19-K23 VanDerWaalsContact O-CB 3.28Å; L19-K23 WeakPolarHBondContact O-CB 3.35Å; L19-K23 PolarHBondContact O-N 3.36Å; D20-K23 PolarHBondContact O-N 3.15Å; K23-R25 PolarHBondContact O-N 3.38Å
24S66.8Low73.2Confident91 Ų9191.6 Ų91.664%0.63647%0.468SS*.THydrogen-bonded Turntrans-54.4-16.7171.8-171.20000113.4D20 D21 I22D20-S24 PolarHBondContact O-N 3.28Å; D21-S24 WeakPolarHBondContact O-CB 3.46Å; I22-S24 PolarHBondContact O-N 3.28Å
25R60.9Low73.5Confident166 Ų16689.8 Ų89.863%0.62646%0.457SS*.SBendtrans-113.5119.3171.2-58-63.2-173.2148.21.2111.4I22 K23 H27 R28I22-R25 PolarHBondContact O-N 2.96Å; I22-R25 VanDerWaalsContact O-N 3.08Å; K23-R25 PolarHBondContact O-N 3.38Å; R25-H27 PolarHBondContact O-N 3.5Å; R25-H27 VanDerWaalsContact O-N 3.11Å; R25-R28 VanDerWaalsContact CG-NH2 3.25Å; R25-R28 PolarHBondContact O-N 2.76Å; R25-R28 VanDerWaalsContact O-N 3.09Å
26P59.7Low73.9Confident109 Ų10987.2 Ų87.271%0.70845%0.449SS*.G310 helixtrans-59.8-27.8-174.618.3-29.4000114.6R28P26-R28 PolarHBondContact O-N 2.87Å
27H55Low74.3Confident165 Ų16583.3 Ų83.376%0.76444%0.438SS*.G310 helixtrans-72.8-11.9-179.9-141.776.1000114.3R25R25-H27 PolarHBondContact O-N 3.5Å; R25-H27 VanDerWaalsContact O-N 3.11Å
28R59.6Low74.7Confident100 Ų10078.6 Ų78.638%0.37741%0.412SS..G310 helixtrans-99.3-4.7-172.6-110.8-175.5-43.7-1645.5114.5I22 R25 P26 Q30 V31I22-R28 HydrophobicContact CG2-CB 3.62Å; I22-R28 HydrophobicContact CG2-CG 4.04Å; R25-R28 VanDerWaalsContact CG-NH2 3.25Å; R25-R28 PolarHBondContact O-N 2.76Å; R25-R28 VanDerWaalsContact O-N 3.09Å; P26-R28 PolarHBondContact O-N 2.87Å; R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.4Å; R28-V31 HydrophobicContact CG-CG2 4.42Å; R28-V31 WeakPolarHBondContact O-CB 3.06Å; R28-V31 PolarHBondContact O-N 2.85Å
29Q69.1Low75.4Confident97 Ų9778.5 Ų78.545%0.45341%0.409SS..Hα-helixtrans-60.7-34.4177.8-68.3-175.7-16.200112.9V31 I32 I33Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.01Å; Q29-I32 PolarHBondContact O-N 3.01Å; Q29-I33 PolarHBondContact O-N 2.9Å
30Q74.1Confident76.3Confident101 Ų10180.9 Ų80.947%0.47242%0.421SS..Hα-helixtrans-64.8-34.9177.8-68.3-177.7-9.300112.8R28 I32 I33 G34R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.4Å; Q30-I32 VanDerWaalsContact C-N 3.3Å; Q30-I32 PolarHBondContact O-N 3.3Å; Q30-I33 PolarHBondContact O-N 3.46Å; Q30-G34 PolarHBondContact O-N 2.59Å
31V77.1Confident77.1Confident38 Ų3878.7 Ų78.723%0.2341%0.414CS..Hα-helixtrans-60-44.3176.9174.70000110.3R28 Q29 G34 V35 V107 S111R28-V31 HydrophobicContact CG-CG2 4.42Å; R28-V31 WeakPolarHBondContact O-CB 3.06Å; R28-V31 PolarHBondContact O-N 2.85Å; Q29-V31 VanDerWaalsContact C-N 3.32Å; Q29-V31 PolarHBondContact O-N 3.01Å; V31-G34 CarbonylContact O-C 3.58Å; V31-G34 WeakPolarHBondContact O-CA 3.1Å; V31-G34 PolarHBondContact O-N 2.72Å; V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.06Å; V31-V35 PolarHBondContact O-N 3.27Å; V31-V107 HydrophobicContact CG2-CG1 3.3Å; V31-S111 WeakPolarHBondContact CA-OG 3.41Å; V31-S111 PolarHBondContact O-OG 3.07Å
32I79.5Confident77.9Confident48 Ų4873.1 Ų73.125%0.24638%0.384CS..Hα-helixtrans-64.3-47.6-177.5-66.9149.5000111L19 I22 Q29 Q30 G34 V35 G36L19-I32 HydrophobicContact CD1-CB 4.01Å; L19-I32 HydrophobicContact CD1-CD1 3.2Å; L19-I32 HydrophobicContact CD1-CG1 3.44Å; L19-I32 VanDerWaalsContact CD1-CG1 3.44Å; L19-I32 HydrophobicContact CD1-CG2 3.39Å; I22-I32 HydrophobicContact CB-CD1 4.4Å; I22-I32 HydrophobicContact CG2-CD1 3.51Å; I22-I32 HydrophobicContact CG2-CG1 3.92Å; Q29-I32 PolarHBondContact O-N 3.01Å; Q30-I32 VanDerWaalsContact C-N 3.3Å; Q30-I32 PolarHBondContact O-N 3.3Å; I32-G34 PolarHBondContact O-N 2.71Å; I32-V35 PolarHBondContact O-N 3.34Å; I32-G36 PolarHBondContact O-N 3.31Å
33I82.5Confident79.1Confident113 Ų11377.5 Ų77.558%0.57940%0.4SS*.Hα-helixtrans-62.7-38.7177.9-58.6171.1000109.3Q29 Q30 S37 F108Q29-I33 PolarHBondContact O-N 2.9Å; Q30-I33 PolarHBondContact O-N 3.46Å; I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.43Å; I33-S37 PolarHBondContact O-N 3.48Å; I33-S37 PolarHBondContact O-OG 3.01Å; I33-F108 HydrophobicContact CB-CE2 4.49Å; I33-F108 HydrophobicContact CG2-CE2 4.19Å
34G86.6Confident80.5Confident0 Ų075.8 Ų75.80%040%0.395CS..Hα-helixtrans-57.7-56.1172.200000112.3Q30 V31 I32 G36 S37 G38 F108 F112Q30-G34 PolarHBondContact O-N 2.59Å; V31-G34 CarbonylContact O-C 3.58Å; V31-G34 WeakPolarHBondContact O-CA 3.1Å; V31-G34 PolarHBondContact O-N 2.72Å; I32-G34 PolarHBondContact O-N 2.71Å; G34-G36 PolarHBondContact O-N 3.06Å; G34-S37 PolarHBondContact O-N 3.42Å; G34-S37 PolarHBondContact O-OG 2.66Å; G34-S37 VanDerWaalsContact O-OG 3.1Å; G34-G38 WeakPolarHBondContact O-CA 3.41Å; G34-G38 PolarHBondContact O-N 2.99Å; G34-F108 VanDerWaalsContact CA-CE2 3.43Å; G34-F112 VanDerWaalsContact O-CA 3.27Å; G34-F112 WeakPolarHBondContact O-CA 3.15Å
35V88.1Confident81.8Confident56 Ų5677 Ų7734%0.33939%0.389SS..Hα-helixtrans-58.7-48.5179.1175.30000111.6V31 I32 G38 L39V31-V35 HydrophobicContact CG1-CG2 4.34Å; V31-V35 WeakPolarHBondContact O-CG2 3.06Å; V31-V35 PolarHBondContact O-N 3.27Å; I32-V35 PolarHBondContact O-N 3.34Å; V35-G38 PolarHBondContact O-N 2.81Å; V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 WeakPolarHBondContact O-CB 3.41Å; V35-L39 WeakPolarHBondContact O-CG 3.27Å; V35-L39 PolarHBondContact O-N 3Å
36G89.6Confident83.2Confident41 Ų4169.3 Ų69.342%0.42336%0.361SS..Hα-helixtrans-64-45.9-178.100000112.8I32 G34 G38 L39 L40I32-G36 PolarHBondContact O-N 3.31Å; G34-G36 PolarHBondContact O-N 3.06Å; G36-G38 VanDerWaalsContact C-N 3.34Å; G36-L39 PolarHBondContact O-N 2.89Å; G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.13Å
37S90.9Very high84.7Confident42 Ų4271 Ų7129%0.29436%0.357SS..Hα-helixtrans-66.9-36.1175.159.30000112.1I33 G34 L40 A41 F112I33-S37 VanDerWaalsContact O-CB 3.24Å; I33-S37 WeakPolarHBondContact O-CB 3.43Å; I33-S37 PolarHBondContact O-N 3.48Å; I33-S37 PolarHBondContact O-OG 3.01Å; G34-S37 PolarHBondContact O-N 3.42Å; G34-S37 PolarHBondContact O-OG 2.66Å; G34-S37 VanDerWaalsContact O-OG 3.1Å; S37-L40 PolarHBondContact O-N 3.09Å; S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 2.67Å; S37-F112 WeakPolarHBondContact OG-CD2 2.93Å
38G92.2Very high86.4Confident0 Ų068.5 Ų68.50%035%0.348CS..Hα-helixtrans-62.3-48.4174.800000112.2G34 V35 G36 L40 A41 G42 F112 F116G34-G38 WeakPolarHBondContact O-CA 3.41Å; G34-G38 PolarHBondContact O-N 2.99Å; V35-G38 PolarHBondContact O-N 2.81Å; G36-G38 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.22Å; G38-A41 PolarHBondContact O-N 2.8Å; G38-G42 PolarHBondContact O-N 3.49Å; G38-F112 VanDerWaalsContact CA-CE2 3.46Å; G38-F112 VanDerWaalsContact N-CD2 3.33Å; G38-F116 WeakPolarHBondContact O-CA 3.45Å; G38-F116 PolarHBondContact O-N 3.05Å
39L92.9Very high87.8Confident71 Ų7164.7 Ų64.737%0.37234%0.34SS..Hα-helixtrans-60.1-46.2177.1-77.2169.2000111.6V35 G36 G42 Y43 G115 I118 A119V35-L39 HydrophobicContact CG1-CD1 3.97Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 WeakPolarHBondContact O-CB 3.41Å; V35-L39 WeakPolarHBondContact O-CG 3.27Å; V35-L39 PolarHBondContact O-N 3Å; G36-L39 PolarHBondContact O-N 2.89Å; L39-G42 PolarHBondContact O-N 3.42Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.23Å; L39-G115 WeakPolarHBondContact CD2-O 3.24Å; L39-I118 HydrophobicContact CD2-CB 4.24Å; L39-I118 HydrophobicContact CD2-CG2 3.95Å; L39-A119 HydrophobicContact CB-CB 4.42Å; L39-A119 HydrophobicContact CD2-CB 3.88Å; L39-A119 WeakPolarHBondContact O-CB 3.4Å
40L92.8Very high88.8Confident111 Ų11165.8 Ų65.858%0.58134%0.34SS*.Hα-helixtrans-64.1-48178.4-178.661.1000111.6G36 S37 G38 G42 Y43 I44G36-L40 PolarHBondContact O-N 3.01Å; G36-L40 VanDerWaalsContact O-N 3.13Å; S37-L40 PolarHBondContact O-N 3.09Å; G38-L40 PolarHBondContact O-N 3.22Å; L40-G42 VanDerWaalsContact C-N 3.33Å; L40-G42 PolarHBondContact O-N 3.25Å; L40-Y43 PolarHBondContact O-N 3.42Å; L40-I44 HydrophobicContact CD1-CD1 4.15Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.2Å; L40-I44 PolarHBondContact O-N 3.47Å; L40-I44 VanDerWaalsContact O-N 3.13Å
41A94.1Very high89.6Confident33 Ų3363.4 Ų63.427%0.27334%0.338SS..Hα-helixtrans-61.5-42.1177.800000111.6S37 G38 I44 F45 F112 F116S37-A41 WeakPolarHBondContact O-CB 3.29Å; S37-A41 PolarHBondContact O-N 2.67Å; G38-A41 PolarHBondContact O-N 2.8Å; A41-I44 PolarHBondContact O-N 2.76Å; A41-F45 WeakPolarHBondContact O-CB 3.22Å; A41-F45 PolarHBondContact O-N 2.93Å; A41-F112 HydrophobicContact CB-CE2 3.99Å; A41-F112 HydrophobicContact CB-CZ 3.84Å; A41-F116 HydrophobicContact CB-CD2 4.33Å
42G93.2Very high90.4Very high0 Ų063.7 Ų63.70%034%0.344CS..Hα-helixtrans-65.8-38.9179.100000112.7G38 L39 L40 F45 A46G38-G42 PolarHBondContact O-N 3.49Å; L39-G42 PolarHBondContact O-N 3.42Å; L40-G42 VanDerWaalsContact C-N 3.33Å; L40-G42 PolarHBondContact O-N 3.25Å; G42-F45 PolarHBondContact O-N 3.44Å; G42-A46 VanDerWaalsContact O-CB 3.25Å; G42-A46 WeakPolarHBondContact O-CB 3.25Å; G42-A46 PolarHBondContact O-N 3.3Å
43Y92.1Very high91Very high126 Ų12664.3 Ų64.349%0.49436%0.357SS..Hα-helixtrans-65.8-45.5175.9-180-103.4000111.8L39 L40 A46 K47 A123L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 3.42Å; Y43-A46 PolarHBondContact O-N 2.86Å; Y43-K47 PolarHBondContact O-N 3.42Å; Y43-A123 HydrophobicContact CD2-CB 4.21Å
44I94.1Very high91.5Very high84 Ų8465.2 Ų65.243%0.43136%0.362SS..Hα-helixtrans-62.1-47175.5-64.6167.6000110L40 A41 A46 K47 I48L40-I44 HydrophobicContact CD1-CD1 4.15Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.2Å; L40-I44 PolarHBondContact O-N 3.47Å; L40-I44 VanDerWaalsContact O-N 3.13Å; A41-I44 PolarHBondContact O-N 2.76Å; I44-A46 PolarHBondContact O-N 2.88Å; I44-K47 PolarHBondContact O-N 2.79Å; I44-I48 HydrophobicContact CG2-CD1 3.68Å; I44-I48 HydrophobicContact CG2-CG1 4.46Å; I44-I48 WeakPolarHBondContact O-CG1 3.34Å; I44-I48 PolarHBondContact O-N 2.9Å
45F93.3Very high91.8Very high117 Ų11771.5 Ų71.551%0.51340%0.395SS..Hα-helixtrans-62.2-41.7178.8-178.1-93000112A41 G42 G49 F116 I120A41-F45 WeakPolarHBondContact O-CB 3.22Å; A41-F45 PolarHBondContact O-N 2.93Å; G42-F45 PolarHBondContact O-N 3.44Å; F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.11Å; F45-F116 HydrophobicContact CB-CE2 3.77Å; F45-F116 HydrophobicContact CB-CZ 4.17Å; F45-F116 HydrophobicContact CD1-CE2 4.21Å; F45-F116 AromaticContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CZ 4.19Å; F45-F116 AromaticContact CG-CE2 3.94Å; F45-F116 HydrophobicContact CG-CE2 3.94Å; F45-F116 AromaticContact CG-CZ 3.82Å; F45-F116 HydrophobicContact CG-CZ 3.82Å; F45-I120 HydrophobicContact CD1-CD1 3.64Å; F45-I120 HydrophobicContact CD1-CG1 4.21Å; F45-I120 HydrophobicContact CE1-CD1 4.04Å
46A91.5Very high92Very high4 Ų475.2 Ų75.23%0.03341%0.412CS..Hα-helixtrans-65.9-41.3177.900000111.5G42 Y43 I44 R50 I120 A123G42-A46 VanDerWaalsContact O-CB 3.25Å; G42-A46 WeakPolarHBondContact O-CB 3.25Å; G42-A46 PolarHBondContact O-N 3.3Å; Y43-A46 PolarHBondContact O-N 2.86Å; I44-A46 PolarHBondContact O-N 2.88Å; A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 WeakPolarHBondContact O-CD 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.37Å; A46-R50 PolarHBondContact O-N 3.31Å; A46-I120 HydrophobicContact CB-CG1 4.34Å; A46-A123 HydrophobicContact CB-CB 3.17Å
47K89.7Confident92.1Very high143 Ų14374.7 Ų74.762%0.62241%0.407SS*.Hα-helixtrans-66.6-49.1-179.7-160.7170.3-171174.90112.3Y43 I44Y43-K47 PolarHBondContact O-N 3.42Å; I44-K47 PolarHBondContact O-N 2.79Å
48I91Very high92.2Very high114 Ų11474.5 Ų74.559%0.58541%0.411SS*.Hα-helixtrans-75.2-43.6180-60.5174.5000110.4I44 A51 A52I44-I48 HydrophobicContact CG2-CD1 3.68Å; I44-I48 HydrophobicContact CG2-CG1 4.46Å; I44-I48 WeakPolarHBondContact O-CG1 3.34Å; I44-I48 PolarHBondContact O-N 2.9Å; I48-A51 PolarHBondContact O-N 3.39Å; I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 3.46Å
49G90.3Very high92.1Very high20 Ų2078.4 Ų78.421%0.20644%0.438CS..Hα-helixtrans-67-37.9-177.600000112.8F45 A52 A53F45-G49 WeakPolarHBondContact O-CA 3.2Å; F45-G49 PolarHBondContact O-N 3.11Å; G49-A52 PolarHBondContact O-N 3.13Å; G49-A53 WeakPolarHBondContact O-CB 3.37Å; G49-A53 PolarHBondContact O-N 3.48Å
50R88.4Confident92Very high120 Ų12079.8 Ų79.845%0.45345%0.446SS..Hα-helixtrans-63.9-43.2171.6-74.7173.3-179.3-169.63.4111.6A46 A53 L54 I120 A123A46-R50 WeakPolarHBondContact O-CB 3.35Å; A46-R50 WeakPolarHBondContact O-CD 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.37Å; A46-R50 PolarHBondContact O-N 3.31Å; R50-A53 PolarHBondContact O-N 3.14Å; R50-L54 WeakPolarHBondContact O-CB 3.34Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 2.91Å; R50-I120 PolarHBondContact NH2-O 3.49Å; R50-A123 PolarHBondContact NH1-O 2.85Å; R50-A123 PolarHBondContact NH1-OXT 3.38Å; R50-A123 PolarHBondContact NH2-OXT 2.95Å
51A91.9Very high91.8Very high51 Ų5179.7 Ų79.742%0.42145%0.445SS..Hα-helixtrans-61.9-46.9175.300000111.3I48 A53 L54 L55I48-A51 PolarHBondContact O-N 3.39Å; A51-A53 PolarHBondContact O-N 3.13Å; A51-L54 PolarHBondContact O-N 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.12Å; A51-L55 PolarHBondContact O-N 3.07Å
52A93.7Very high91.4Very high43 Ų4381 Ų8136%0.35546%0.455SS..Hα-helixtrans-62.1-43.8176.700000112.1I48 G49 L55 L56I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 3.46Å; G49-A52 PolarHBondContact O-N 3.13Å; A52-L55 PolarHBondContact O-N 3.12Å; A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.13Å; A52-L56 PolarHBondContact O-N 3.47Å
53A92.2Very high91Very high62 Ų6284 Ų8451%0.51247%0.471SS..Hα-helixtrans-64.8-40.817800000111.9G49 R50 A51 G57G49-A53 WeakPolarHBondContact O-CB 3.37Å; G49-A53 PolarHBondContact O-N 3.48Å; R50-A53 PolarHBondContact O-N 3.14Å; A51-A53 PolarHBondContact O-N 3.13Å; A53-G57 PolarHBondContact O-N 2.83Å
54L92.5Very high90.4Very high132 Ų13283.3 Ų83.369%0.69147%0.472SS*.Hα-helixtrans-64.4-39.7174-75.1174.4000111.9R50 A51 G58R50-L54 WeakPolarHBondContact O-CB 3.34Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 2.91Å; A51-L54 PolarHBondContact O-N 3.44Å; L54-G58 VanDerWaalsContact O-CA 3.3Å; L54-G58 WeakPolarHBondContact O-CA 3.42Å; L54-G58 PolarHBondContact O-N 3.44Å
55L93.8Very high89.8Confident132 Ų13282.5 Ų82.569%0.69147%0.473SS*.Hα-helixtrans-67.6-46.7176.4-72.2174.4000111.8A51 A52 S59A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.12Å; A51-L55 PolarHBondContact O-N 3.07Å; A52-L55 PolarHBondContact O-N 3.12Å; L55-S59 WeakPolarHBondContact O-CB 3.37Å; L55-S59 PolarHBondContact O-N 2.76Å
56L92.1Very high89Confident133 Ų13377.7 Ų77.770%0.69646%0.455SS*.Hα-helixtrans-65.7-46.4178.9-68.5175.7000111.5A52 L60A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 VanDerWaalsContact O-CG 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.13Å; A52-L56 PolarHBondContact O-N 3.47Å; L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 PolarHBondContact O-N 2.79Å; L56-L60 VanDerWaalsContact O-N 3.08Å
57G92.1Very high88.2Confident31 Ų3181 Ų8132%0.3248%0.475SS..Hα-helixtrans-68.1-44.1177.600000112.6A53 S59 L60 I61A53-G57 PolarHBondContact O-N 2.83Å; G57-S59 PolarHBondContact O-N 3.46Å; G57-L60 WeakPolarHBondContact O-CB 3.49Å; G57-L60 PolarHBondContact O-N 3.34Å; G57-I61 WeakPolarHBondContact O-CG1 3.47Å; G57-I61 PolarHBondContact O-N 3.41Å
58G93.1Very high87.4Confident38 Ų3882.1 Ų82.139%0.39248%0.482SS..Hα-helixtrans-62.9-41.7176.900000112.4L54 L60 I61 A62L54-G58 VanDerWaalsContact O-CA 3.3Å; L54-G58 WeakPolarHBondContact O-CA 3.42Å; L54-G58 PolarHBondContact O-N 3.44Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.2Å; G58-I61 PolarHBondContact O-N 3.35Å; G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.44Å
59S90.4Very high86.1Confident81 Ų8183.8 Ų83.857%0.56649%0.488SS*.Hα-helixtrans-59.6-43.4172.4-178.50000111.5L55 G57 I61 A62 L63L55-S59 WeakPolarHBondContact O-CB 3.37Å; L55-S59 PolarHBondContact O-N 2.76Å; G57-S59 PolarHBondContact O-N 3.46Å; S59-I61 PolarHBondContact O-N 2.98Å; S59-A62 PolarHBondContact O-N 3.45Å; S59-L63 WeakPolarHBondContact O-CB 3.24Å; S59-L63 PolarHBondContact O-N 2.87Å
60L89.3Confident84.7Confident100 Ų10089.4 Ų89.452%0.52451%0.513SS..Hα-helixtrans-65.3-39.2178.8-173.663.5000112.8L56 G57 G58 Q64L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 PolarHBondContact O-N 2.79Å; L56-L60 VanDerWaalsContact O-N 3.08Å; G57-L60 WeakPolarHBondContact O-CB 3.49Å; G57-L60 PolarHBondContact O-N 3.34Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.2Å; L60-Q64 WeakPolarHBondContact O-CG 3.31Å; L60-Q64 PolarHBondContact O-N 3.33Å
61I89.6Confident83.2Confident110 Ų11089 Ų8956%0.56452%0.524SS*.Hα-helixtrans-67.6-47.5176-65.4167.7000110.4G57 G58 S59 L63 Q64 C65G57-I61 WeakPolarHBondContact O-CG1 3.47Å; G57-I61 PolarHBondContact O-N 3.41Å; G58-I61 PolarHBondContact O-N 3.35Å; S59-I61 PolarHBondContact O-N 2.98Å; I61-L63 PolarHBondContact O-N 3.31Å; I61-Q64 PolarHBondContact O-N 2.9Å; I61-Q64 VanDerWaalsContact O-N 3.11Å; I61-C65 PolarHBondContact O-N 3.38Å; I61-C65 PolarHBondContact O-SG 3.4Å
62A85.7Confident81.8Confident59 Ų5991 Ų9149%0.48853%0.526SS..Hα-helixtrans-58.4-38.5177.400000111.7G58 S59 C65 A66G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.44Å; S59-A62 PolarHBondContact O-N 3.45Å; A62-C65 PolarHBondContact O-N 2.75Å; A62-A66 WeakPolarHBondContact O-CB 3.28Å; A62-A66 PolarHBondContact O-N 3.39Å
63L84.1Confident80.4Confident64 Ų6497.3 Ų97.334%0.33555%0.548SS..Hα-helixtrans-61.9-45175.2-170.363.3000112S59 I61 A66 V67 I74S59-L63 WeakPolarHBondContact O-CB 3.24Å; S59-L63 PolarHBondContact O-N 2.87Å; I61-L63 PolarHBondContact O-N 3.31Å; L63-A66 PolarHBondContact O-N 2.96Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.87Å; L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 3.91Å; L63-I74 HydrophobicContact CG-CD1 3.57Å
64Q80.5Confident79.1Confident112 Ų11296.2 Ų96.252%0.52353%0.533SS..Hα-helixtrans-62.7-42.2176.2-71.5177.35600112L60 I61 A66 V67 Q68L60-Q64 WeakPolarHBondContact O-CG 3.31Å; L60-Q64 PolarHBondContact O-N 3.33Å; I61-Q64 PolarHBondContact O-N 2.9Å; I61-Q64 VanDerWaalsContact O-N 3.11Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.45Å; Q64-V67 PolarHBondContact O-N 3.01Å; Q64-Q68 PolarHBondContact O-N 2.94Å; Q64-Q68 VanDerWaalsContact O-N 3.14Å
65C79.8Confident78.2Confident66 Ų6694.9 Ų94.945%0.44653%0.527SS..Hα-helixtrans-60.9-42.3174.2-66.90000111.8I61 A62 Q68 Q69I61-C65 PolarHBondContact O-N 3.38Å; I61-C65 PolarHBondContact O-SG 3.4Å; A62-C65 PolarHBondContact O-N 2.75Å; C65-Q68 PolarHBondContact O-N 3Å; C65-Q69 WeakPolarHBondContact O-CG 3.47Å; C65-Q69 PolarHBondContact O-N 3.31Å; C65-Q69 VanDerWaalsContact O-N 3.11Å
66A78.2Confident77.4Confident16 Ų1697 Ų9713%0.13253%0.526CS..Hα-helixtrans-67.8-34.1179.800000113.5A62 L63 Q64 Q69 I72A62-A66 WeakPolarHBondContact O-CB 3.28Å; A62-A66 PolarHBondContact O-N 3.39Å; L63-A66 PolarHBondContact O-N 2.96Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 3.45Å; A66-Q69 PolarHBondContact O-N 3.4Å; A66-I72 HydrophobicContact CB-CB 4.3Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.97Å
67V73.3Confident76.8Confident75 Ų7598.1 Ų98.146%0.45552%0.52SS..Hα-helixtrans-65.4-43.5172.6173.80000110.9L63 Q64 Q69 D70 I74L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.87Å; Q64-V67 PolarHBondContact O-N 3.01Å; V67-Q69 VanDerWaalsContact C-N 3.26Å; V67-Q69 PolarHBondContact O-N 3.46Å; V67-D70 PolarHBondContact O-N 3.44Å; V67-I74 HydrophobicContact CG2-CD1 3.32Å; V67-I74 HydrophobicContact CG2-CG1 4.19Å
68Q73.6Confident76.2Confident166 Ų166104.4 Ų104.478%0.77654%0.539SS*.Hα-helixtrans-64-31.8178-72-174.912.500113Q64 C65 D70Q64-Q68 PolarHBondContact O-N 2.94Å; Q64-Q68 VanDerWaalsContact O-N 3.14Å; C65-Q68 PolarHBondContact O-N 3Å; Q68-D70 PolarHBondContact O-N 3.03Å
69Q62.8Low75.5Confident149 Ų149106.5 Ų106.570%0.69654%0.544SS*.THydrogen-bonded Turntrans-77.51.6176.2-70.6-174-32.200113.4C65 A66 V67 V71C65-Q69 WeakPolarHBondContact O-CG 3.47Å; C65-Q69 PolarHBondContact O-N 3.31Å; C65-Q69 VanDerWaalsContact O-N 3.11Å; A66-Q69 PolarHBondContact O-N 3.4Å; V67-Q69 VanDerWaalsContact C-N 3.26Å; V67-Q69 PolarHBondContact O-N 3.46Å; Q69-V71 HydrophobicContact CB-CG2 4.2Å; Q69-V71 VanDerWaalsContact O-CG2 3.28Å; Q69-V71 WeakPolarHBondContact O-CG2 3.22Å; Q69-V71 PolarHBondContact O-N 3.14Å
70D62.6Low75Confident137 Ų137109.4 Ų109.473%0.73355%0.549SS*.THydrogen-bonded Turntrans57.114.2179.7-157.653.9000114.6V67 Q68V67-D70 PolarHBondContact O-N 3.44Å; Q68-D70 PolarHBondContact O-N 3.03Å
71V56.9Low74.7Confident113 Ų113111.5 Ų111.569%0.68555%0.549SS*.  trans-86.3-23.5-176-176.90000112.1Q69Q69-V71 HydrophobicContact CB-CG2 4.2Å; Q69-V71 VanDerWaalsContact O-CG2 3.28Å; Q69-V71 WeakPolarHBondContact O-CG2 3.22Å; Q69-V71 PolarHBondContact O-N 3.14Å
72I61.8Low74.3Confident91 Ų91108.6 Ų108.647%0.46754%0.542SS..  trans-124.1106.5-169.8-52.8-170.8000112.6A66 I74A66-I72 HydrophobicContact CB-CB 4.3Å; A66-I72 HydrophobicContact CB-CD1 3.59Å; A66-I72 HydrophobicContact CB-CG1 3.97Å; I72-I74 HydrophobicContact CG2-CG1 4.36Å; I72-I74 PolarHBondContact O-N 3.33Å; I72-I74 VanDerWaalsContact O-N 3.15Å
73H63.7Low73.9Confident177 Ų177107.5 Ų107.582%0.81954%0.537SS*.  trans-72.199.5166.1-70.583000110.1N75H73-N75 PolarHBondContact O-N 3.02Å
74I66.3Low73.7Confident38 Ų38109.6 Ų109.620%0.19555%0.548CS..  trans-72114.5176.7-60.5169.6000109.4L63 V67 I72 W76L63-I74 HydrophobicContact CD1-CD1 3.38Å; L63-I74 HydrophobicContact CD1-CG1 3.81Å; L63-I74 HydrophobicContact CD2-CD1 3.91Å; L63-I74 HydrophobicContact CG-CD1 3.57Å; V67-I74 HydrophobicContact CG2-CD1 3.32Å; V67-I74 HydrophobicContact CG2-CG1 4.19Å; I72-I74 HydrophobicContact CG2-CG1 4.36Å; I72-I74 PolarHBondContact O-N 3.33Å; I72-I74 VanDerWaalsContact O-N 3.15Å; I74-W76 HydrophobicContact CD1-CZ2 4.3Å; I74-W76 HydrophobicContact CG2-CD2 3.97Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.34Å; I74-W76 HydrophobicContact CG2-CZ2 4.18Å; I74-W76 PolarHBondContact O-N 3.17Å
75N72.7Confident73.5Confident104 Ų104113.4 Ų113.456%0.55656%0.558SS**  trans-7984.2172.1-167.1-33.8000110.4H73 R77 K78H73-N75 PolarHBondContact O-N 3.02Å; N75-R77 PolarHBondContact O-N 3.25Å; N75-R77 VanDerWaalsContact OD1-CB 3.3Å; N75-R77 WeakPolarHBondContact OD1-CB 3.49Å; N75-R77 PolarHBondContact OD1-N 3.12Å; N75-K78 PolarHBondContact O-N 2.75Å
76W76.6Confident73.2Confident178 Ų178115.7 Ų115.767%0.67457%0.565SS**Hα-helixtrans-51.9-29.4178.5-67.6105.2000113.9I74 K78 V79 E80I74-W76 HydrophobicContact CD1-CZ2 4.3Å; I74-W76 HydrophobicContact CG2-CD2 3.97Å; I74-W76 HydrophobicContact CG2-CE3 4.37Å; I74-W76 HydrophobicContact CG2-CG 4.34Å; I74-W76 HydrophobicContact CG2-CZ2 4.18Å; I74-W76 PolarHBondContact O-N 3.17Å; W76-K78 PolarHBondContact O-N 2.92Å; W76-V79 WeakPolarHBondContact O-CB 3.2Å; W76-V79 PolarHBondContact O-N 3.5Å; W76-V79 VanDerWaalsContact O-N 3.09Å; W76-E80 PolarHBondContact O-N 3.3Å
77R79Confident72.8Confident155 Ų155122.1 Ų122.159%0.58559%0.592SS**Hα-helixtrans-65.3-26.3179.5-152.9177.970.1109.7-0.6113.2N75 R81N75-R77 PolarHBondContact O-N 3.25Å; N75-R77 VanDerWaalsContact OD1-CB 3.3Å; N75-R77 WeakPolarHBondContact OD1-CB 3.49Å; N75-R77 PolarHBondContact OD1-N 3.12Å; R77-R81 WeakPolarHBondContact O-CG 3.43Å
78K79.9Confident72.5Confident164 Ų164122.5 Ų122.571%0.71360%0.598SS**Hα-helixtrans-78.1-35174.6-166.2174.6-178.5-178.80111.4N75 W76 A82N75-K78 PolarHBondContact O-N 2.75Å; W76-K78 PolarHBondContact O-N 2.92Å; K78-A82 PolarHBondContact O-N 3.47Å
79V78.1Confident72.1Confident81 Ų81120.8 Ų120.849%0.49159%0.594SS.*Hα-helixtrans-65.5-46.8176.4-178.80000110.3W76 R81 A82 G83W76-V79 WeakPolarHBondContact O-CB 3.2Å; W76-V79 PolarHBondContact O-N 3.5Å; W76-V79 VanDerWaalsContact O-N 3.09Å; V79-R81 PolarHBondContact O-N 2.88Å; V79-A82 WeakPolarHBondContact O-CB 3.39Å; V79-A82 PolarHBondContact O-N 3.44Å; V79-G83 PolarHBondContact O-N 2.84Å
80E80.3Confident72.3Confident142 Ų142117.5 Ų117.566%0.66458%0.584SS**Hα-helixtrans-57-49.7178.5-171.659.7-148.200112.1W76 A82 G83 D84W76-E80 PolarHBondContact O-N 3.3Å; E80-A82 PolarHBondContact O-N 3.5Å; E80-G83 PolarHBondContact O-N 3.31Å; E80-G83 VanDerWaalsContact O-N 3.12Å; E80-D84 PolarHBondContact O-N 3.41Å; E80-D84 VanDerWaalsContact O-N 3.07Å
81R82.3Confident72.2Confident144 Ų144114.6 Ų114.654%0.54357%0.573SS.*Hα-helixtrans-62.6-25.9177.4-72.9175.5173.1-170.4-9.1113.6R77 V79R77-R81 WeakPolarHBondContact O-CG 3.43Å; V79-R81 PolarHBondContact O-N 2.88Å
82A81.3Confident72.6Confident49 Ų49113.4 Ų113.441%0.40557%0.565SS.*Hα-helixtrans-77.3-41.2175.200000111K78 V79 E80 R85 I86K78-A82 PolarHBondContact O-N 3.47Å; V79-A82 WeakPolarHBondContact O-CB 3.39Å; V79-A82 PolarHBondContact O-N 3.44Å; E80-A82 PolarHBondContact O-N 3.5Å; A82-R85 PolarHBondContact O-N 2.8Å; A82-I86 WeakPolarHBondContact O-CG1 3.19Å; A82-I86 PolarHBondContact O-N 2.94Å
83G78.3Confident73Confident37 Ų37114.3 Ų114.338%0.38157%0.57SS.*Hα-helixtrans-59.4-45.6175.700000112.7V79 E80 R85 I86 Q87V79-G83 PolarHBondContact O-N 2.84Å; E80-G83 PolarHBondContact O-N 3.31Å; E80-G83 VanDerWaalsContact O-N 3.12Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.66Å; G83-I86 PolarHBondContact O-N 2.77Å; G83-Q87 PolarHBondContact O-N 3.45Å
84D79.4Confident73.1Confident107 Ų107114.9 Ų114.957%0.57257%0.571SS**Hα-helixtrans-61.5-37.1-179.1-167.841.5000113E80 I86 S88E80-D84 PolarHBondContact O-N 3.41Å; E80-D84 VanDerWaalsContact O-N 3.07Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.25Å; D84-S88 PolarHBondContact O-N 2.81Å; D84-S88 PolarHBondContact O-OG 2.96Å
85R75.9Confident73.6Confident192 Ų192117.8 Ų117.873%0.72558%0.583SS**Hα-helixtrans-68-30.4174.1-72-174.6-161.1-142.80.5113.5A82 G83 S88 N89A82-R85 PolarHBondContact O-N 2.8Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.66Å; R85-S88 PolarHBondContact O-OG 3.43Å; R85-S88 VanDerWaalsContact O-OG 3.14Å; R85-N89 PolarHBondContact O-ND2 2.81Å; R85-N89 VanDerWaalsContact O-ND2 3.08Å
86I74.8Confident74.1Confident115 Ų115115.4 Ų115.459%0.5958%0.583SS**Hα-helixtrans-78.9-43.8179.9-64.1165.4000109.8A82 G83 D84 S88 N89 T90A82-I86 WeakPolarHBondContact O-CG1 3.19Å; A82-I86 PolarHBondContact O-N 2.94Å; G83-I86 PolarHBondContact O-N 2.77Å; D84-I86 VanDerWaalsContact C-N 3.33Å; D84-I86 PolarHBondContact O-N 3.25Å; I86-S88 PolarHBondContact O-N 2.94Å; I86-N89 PolarHBondContact O-N 3.41Å; I86-T90 PolarHBondContact O-OG1 3.2Å
87Q69Low74.5Confident150 Ų150114.4 Ų114.470%0.70158%0.584SS**Hα-helixtrans-64.9-40.7-176.8-170.6171.542.900112.3G83 N89 T90G83-Q87 PolarHBondContact O-N 3.45Å; Q87-N89 PolarHBondContact O-N 3Å; Q87-T90 PolarHBondContact O-N 3.08Å
88S67.4Low74.8Confident83 Ų83109.9 Ų109.958%0.5857%0.571SS**THydrogen-bonded Turntrans-58.3-21.3179.748.10000114.5D84 R85 I86D84-S88 PolarHBondContact O-N 2.81Å; D84-S88 PolarHBondContact O-OG 2.96Å; R85-S88 PolarHBondContact O-OG 3.43Å; R85-S88 VanDerWaalsContact O-OG 3.14Å; I86-S88 PolarHBondContact O-N 2.94Å
89N64.8Low75.2Confident130 Ų130106.8 Ų106.870%0.69556%0.561SS**THydrogen-bonded Turntrans-105.63.7-177-70.8-74000114.9R85 I86 Q87 P91R85-N89 PolarHBondContact O-ND2 2.81Å; R85-N89 VanDerWaalsContact O-ND2 3.08Å; I86-N89 PolarHBondContact O-N 3.41Å; Q87-N89 PolarHBondContact O-N 3Å; N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.24Å
90T66.2Low75.8Confident80 Ų80109.2 Ų109.249%0.49157%0.565SS.*  trans-11344.1-174.7-40.20000114.7I86 Q87 V92I86-T90 PolarHBondContact O-OG1 3.2Å; Q87-T90 PolarHBondContact O-N 3.08Å; T90-V92 PolarHBondContact O-N 2.93Å
91P62Low76.1Confident76 Ų76105 Ų10549%0.49455%0.549SS..  trans-73.5-16.2170.930.2-32.2000112.9N89 I93 F94 E95N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.24Å; P91-I93 PolarHBondContact O-N 2.65Å; P91-F94 PolarHBondContact O-N 3.04Å; P91-F94 VanDerWaalsContact O-N 3.12Å; P91-E95 WeakPolarHBondContact O-CG 3.31Å; P91-E95 PolarHBondContact O-N 3.4Å
92V64.5Low76.4Confident88 Ų88101.6 Ų101.653%0.53354%0.541SS..G310 helixtrans-51-46.7-169.6146.90000113.7T90 F94 I98T90-V92 PolarHBondContact O-N 2.93Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.23Å; V92-I98 HydrophobicContact CG1-CD1 4.17Å; V92-I98 WeakPolarHBondContact O-CD1 3.13Å
93I69.6Low76.8Confident111 Ų111104.9 Ų104.957%0.56955%0.548SS*.G310 helixtrans-71.5-29.2-173.6-56-63.8000112.5P91P91-I93 PolarHBondContact O-N 2.65Å
94F66.4Low77.3Confident188 Ų188109 Ų10983%0.82556%0.557SS**G310 helixtrans-98.54.7-175.8-75.8-83.3000113.5P91 V92 G96P91-F94 PolarHBondContact O-N 3.04Å; P91-F94 VanDerWaalsContact O-N 3.12Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.23Å; F94-G96 PolarHBondContact O-N 3.45Å
95E77.9Confident77.6Confident99 Ų99106.8 Ų106.846%0.46355%0.545SS..  trans-65.6128.8172.9-69.4-153.2137.900110.5P91 K97 I98P91-E95 WeakPolarHBondContact O-CG 3.31Å; P91-E95 PolarHBondContact O-N 3.4Å; E95-K97 HydrophobicContact CB-CB 4.47Å; E95-K97 PolarHBondContact O-N 3.31Å; E95-I98 PolarHBondContact O-N 3.3Å
96G81.7Confident78.1Confident54 Ų54105.6 Ų105.656%0.55754%0.541SS*.Hα-helixtrans-55.7-20.4175.300000113.4F94 I99 K100F94-G96 PolarHBondContact O-N 3.45Å; G96-I99 PolarHBondContact O-N 3.45Å; G96-K100 WeakPolarHBondContact O-CB 3.27Å; G96-K100 PolarHBondContact O-N 3.23Å
97K86.8Confident78.5Confident158 Ų158103.8 Ų103.869%0.68754%0.535SS*.Hα-helixtrans-61.5-43.2172-168178-178.1-178.50112.4E95 K100 T101E95-K97 HydrophobicContact CB-CB 4.47Å; E95-K97 PolarHBondContact O-N 3.31Å; K97-K100 PolarHBondContact O-N 3.31Å; K97-T101 PolarHBondContact O-N 3.05Å; K97-T101 PolarHBondContact O-OG1 3.32Å
98I85.4Confident79.3Confident60 Ų6099.2 Ų99.231%0.30851%0.513SS..Hα-helixtrans-65.3-45.2177.6-64.3-162.2000110.4V92 E95 K100 T101 I102V92-I98 HydrophobicContact CG1-CD1 4.17Å; V92-I98 WeakPolarHBondContact O-CD1 3.13Å; E95-I98 PolarHBondContact O-N 3.3Å; I98-K100 VanDerWaalsContact C-N 3.28Å; I98-K100 PolarHBondContact O-N 3.1Å; I98-T101 PolarHBondContact O-N 3.18Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I98-I102 HydrophobicContact CG2-CD1 3.89Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 2.81Å
99I87.5Confident80.4Confident99 Ų9998.7 Ų98.751%0.50850%0.5SS..Hα-helixtrans-58.2-44.9177.6-58-57.9000110.4G96 T101 I102 E103G96-I99 PolarHBondContact O-N 3.45Å; I99-T101 PolarHBondContact O-N 2.82Å; I99-I102 PolarHBondContact O-N 2.87Å; I99-E103 WeakPolarHBondContact O-CB 3.43Å; I99-E103 PolarHBondContact O-N 2.78Å
100K89.8Confident81.6Confident131 Ų13194.9 Ų94.957%0.5749%0.492SS*.Hα-helixtrans-61.4-42.6176.1-166.3179.7-179-173.50112.1G96 K97 I98 E103 E104G96-K100 WeakPolarHBondContact O-CB 3.27Å; G96-K100 PolarHBondContact O-N 3.23Å; K97-K100 PolarHBondContact O-N 3.31Å; I98-K100 VanDerWaalsContact C-N 3.28Å; I98-K100 PolarHBondContact O-N 3.1Å; K100-E103 PolarHBondContact O-N 3.42Å; K100-E104 VanDerWaalsContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CE-OE1 3.02Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 WeakPolarHBondContact O-CB 3.18Å; K100-E104 VanDerWaalsContact O-CG 3.27Å; K100-E104 WeakPolarHBondContact O-CG 3.28Å; K100-E104 PolarHBondContact O-N 3.39Å
101T88.1Confident82.7Confident55 Ų5591.9 Ų91.934%0.33747%0.474SS..Hα-helixtrans-65.5-37.7176.6-58.50000112.8K97 I98 I99 E103 N105 F109K97-T101 PolarHBondContact O-N 3.05Å; K97-T101 PolarHBondContact O-OG1 3.32Å; I98-T101 PolarHBondContact O-N 3.18Å; I98-T101 VanDerWaalsContact O-N 3.14Å; I99-T101 PolarHBondContact O-N 2.82Å; T101-E103 VanDerWaalsContact C-N 3.35Å; T101-N105 WeakPolarHBondContact O-CB 3.28Å; T101-N105 PolarHBondContact O-N 2.81Å; T101-N105 PolarHBondContact O-ND2 3.43Å; T101-N105 VanDerWaalsContact O-ND2 3.08Å; T101-F109 HydrophobicContact CG2-CE2 4.21Å
102I88.3Confident84.1Confident71 Ų7191 Ų9136%0.36446%0.462SS..Hα-helixtrans-63.3-44.1173.7-70.5171.5000110.2I98 I99 N105 R106 F109I98-I102 HydrophobicContact CG2-CD1 3.89Å; I98-I102 HydrophobicContact CG2-CG1 4.33Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 2.81Å; I99-I102 PolarHBondContact O-N 2.87Å; I102-N105 CarbonylContact O-C 3.25Å; I102-N105 VanDerWaalsContact O-C 3.25Å; I102-N105 PolarHBondContact O-N 3.32Å; I102-R106 WeakPolarHBondContact O-CA 3.39Å; I102-R106 PolarHBondContact O-N 3.43Å; I102-F109 HydrophobicContact CB-CD2 4.32Å; I102-F109 HydrophobicContact CG1-CD1 4.28Å; I102-F109 HydrophobicContact CG1-CD2 4.17Å; I102-F109 HydrophobicContact CG1-CE1 4.41Å; I102-F109 HydrophobicContact CG1-CE2 4.29Å; I102-F109 HydrophobicContact CG1-CG 4.15Å; I102-F109 HydrophobicContact CG1-CZ 4.41Å; I102-F109 HydrophobicContact CG2-CB 4.23Å; I102-F109 HydrophobicContact CG2-CG 4.45Å
103E88.3Confident85.5Confident118 Ų11888 Ų8855%0.55145%0.449SS*.Hα-helixtrans-67.8-42.9179.7-174161.6-150.400112.3I99 K100 T101 N105 R106I99-E103 WeakPolarHBondContact O-CB 3.43Å; I99-E103 PolarHBondContact O-N 2.78Å; K100-E103 PolarHBondContact O-N 3.42Å; T101-E103 VanDerWaalsContact C-N 3.35Å; E103-N105 PolarHBondContact O-N 3.17Å; E103-R106 PolarHBondContact O-N 2.85Å; E103-R106 IonicContact OE1-NH2 3.28Å; E103-R106 PolarHBondContact OE1-NH2 3.42Å
104E88.9Confident86.6Confident124 Ų12484.3 Ų84.358%0.57944%0.438SS*.Hα-helixtrans-60.6-32.6174.4-76.3172178.300112.3K100K100-E104 VanDerWaalsContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CE-OE1 3.02Å; K100-E104 HydrophobicContact CG-CG 4.47Å; K100-E104 WeakPolarHBondContact O-CB 3.18Å; K100-E104 VanDerWaalsContact O-CG 3.27Å; K100-E104 WeakPolarHBondContact O-CG 3.28Å; K100-E104 PolarHBondContact O-N 3.39Å
105N85.9Confident87.9Confident60 Ų6075.5 Ų75.532%0.32140%0.401SS..THydrogen-bonded Turntrans-116.136.3-178.7-62.5-86.3000112.1T101 I102 E103 V107 F108 F109T101-N105 WeakPolarHBondContact O-CB 3.28Å; T101-N105 PolarHBondContact O-N 2.81Å; T101-N105 PolarHBondContact O-ND2 3.43Å; T101-N105 VanDerWaalsContact O-ND2 3.08Å; I102-N105 CarbonylContact O-C 3.25Å; I102-N105 VanDerWaalsContact O-C 3.25Å; I102-N105 PolarHBondContact O-N 3.32Å; E103-N105 PolarHBondContact O-N 3.17Å; N105-V107 PolarHBondContact O-N 2.94Å; N105-V107 VanDerWaalsContact O-N 3.08Å; N105-F108 HydrophobicContact CB-CB 4.34Å; N105-F108 PolarHBondContact O-N 3.3Å; N105-F109 HydrophobicContact CB-CD2 3.71Å; N105-F109 HydrophobicContact CB-CE2 3.84Å; N105-F109 PolarHBondContact O-N 3.24Å
106R86.1Confident88.7Confident167 Ų16773 Ų7363%0.6339%0.389SS*.Hα-helixtrans-51.9-38.4-172.7-173-175.8-67.8-155.60113.4I102 E103 G110I102-R106 WeakPolarHBondContact O-CA 3.39Å; I102-R106 PolarHBondContact O-N 3.43Å; E103-R106 PolarHBondContact O-N 2.85Å; E103-R106 IonicContact OE1-NH2 3.28Å; E103-R106 PolarHBondContact OE1-NH2 3.42Å; R106-G110 WeakPolarHBondContact O-CA 3.42Å; R106-G110 PolarHBondContact O-N 3.12Å
107V84.3Confident89.3Confident78 Ų7876 Ų7647%0.47339%0.391SS..Hα-helixtrans-66.4-44.6179.5176.50000111.6V31 N105 S111V31-V107 HydrophobicContact CG2-CG1 3.3Å; N105-V107 PolarHBondContact O-N 2.94Å; N105-V107 VanDerWaalsContact O-N 3.08Å; V107-S111 WeakPolarHBondContact O-CB 3.45Å; V107-S111 PolarHBondContact O-N 2.98Å; V107-S111 PolarHBondContact O-OG 3.25Å
108F86.5Confident89.6Confident53 Ų5372.8 Ų72.823%0.23238%0.381CS..Hα-helixtrans-67-51.1176.6174.2-93.8000111I33 G34 N105 G110 S111 F112I33-F108 HydrophobicContact CB-CE2 4.49Å; I33-F108 HydrophobicContact CG2-CE2 4.19Å; G34-F108 VanDerWaalsContact CA-CE2 3.43Å; N105-F108 HydrophobicContact CB-CB 4.34Å; N105-F108 PolarHBondContact O-N 3.3Å; F108-G110 PolarHBondContact O-N 3.41Å; F108-S111 PolarHBondContact O-N 3.08Å; F108-S111 PolarHBondContact O-OG 3.19Å; F108-F112 HydrophobicContact CE1-CB 4.46Å; F108-F112 VanDerWaalsContact O-CB 3.25Å; F108-F112 WeakPolarHBondContact O-CB 3.25Å; F108-F112 PolarHBondContact O-N 3.32Å
109F89.3Confident89.9Confident73 Ų7370.4 Ų70.432%0.3237%0.37SS..Hα-helixtrans-68-34.2-178-78.9-74.5000113.2T101 I102 N105 G113T101-F109 HydrophobicContact CG2-CE2 4.21Å; I102-F109 HydrophobicContact CB-CD2 4.32Å; I102-F109 HydrophobicContact CG1-CD1 4.28Å; I102-F109 HydrophobicContact CG1-CD2 4.17Å; I102-F109 HydrophobicContact CG1-CE1 4.41Å; I102-F109 HydrophobicContact CG1-CE2 4.29Å; I102-F109 HydrophobicContact CG1-CG 4.15Å; I102-F109 HydrophobicContact CG1-CZ 4.41Å; I102-F109 HydrophobicContact CG2-CB 4.23Å; I102-F109 HydrophobicContact CG2-CG 4.45Å; N105-F109 HydrophobicContact CB-CD2 3.71Å; N105-F109 HydrophobicContact CB-CE2 3.84Å; N105-F109 PolarHBondContact O-N 3.24Å; F109-G113 PolarHBondContact O-N 3.28Å
110G90.8Very high90Very high50 Ų5067.9 Ų67.952%0.51536%0.357SS..Hα-helixtrans-64.6-43.3174.600000112.2R106 F108 G114R106-G110 WeakPolarHBondContact O-CA 3.42Å; R106-G110 PolarHBondContact O-N 3.12Å; F108-G110 PolarHBondContact O-N 3.41Å; G110-G114 PolarHBondContact O-N 3.09Å
111S89.3Confident90Very high17 Ų1766.2 Ų66.212%0.11936%0.361CS..Hα-helixtrans-72.4-36.8176.857.70000113V31 V107 F108 G114 G115V31-S111 WeakPolarHBondContact CA-OG 3.41Å; V31-S111 PolarHBondContact O-OG 3.07Å; V107-S111 WeakPolarHBondContact O-CB 3.45Å; V107-S111 PolarHBondContact O-N 2.98Å; V107-S111 PolarHBondContact O-OG 3.25Å; F108-S111 PolarHBondContact O-N 3.08Å; F108-S111 PolarHBondContact O-OG 3.19Å; S111-G114 PolarHBondContact O-N 2.99Å; S111-G115 PolarHBondContact O-N 3.04Å
112F91.5Very high89.7Confident57 Ų5772.2 Ų72.225%0.2538%0.383CS..Hα-helixtrans-59.2-50.9169.4176.6-89.4000111.7G34 S37 G38 A41 F108 G114 G115 F116G34-F112 VanDerWaalsContact O-CA 3.27Å; G34-F112 WeakPolarHBondContact O-CA 3.15Å; S37-F112 WeakPolarHBondContact OG-CD2 2.93Å; G38-F112 VanDerWaalsContact CA-CE2 3.46Å; G38-F112 VanDerWaalsContact N-CD2 3.33Å; A41-F112 HydrophobicContact CB-CE2 3.99Å; A41-F112 HydrophobicContact CB-CZ 3.84Å; F108-F112 HydrophobicContact CE1-CB 4.46Å; F108-F112 VanDerWaalsContact O-CB 3.25Å; F108-F112 WeakPolarHBondContact O-CB 3.25Å; F108-F112 PolarHBondContact O-N 3.32Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 3.08Å; F112-G115 PolarHBondContact O-N 2.86Å; F112-F116 HydrophobicContact CE1-CB 4.37Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 3.27Å
113G93.7Very high89.3Confident25 Ų2571.3 Ų71.326%0.25839%0.386SS..Hα-helixtrans-60.1-41.7178.400000112.1F109 F116 L117F109-G113 PolarHBondContact O-N 3.28Å; G113-F116 PolarHBondContact O-N 3.14Å; G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 VanDerWaalsContact O-CG 3.31Å; G113-L117 WeakPolarHBondContact O-CG 3.36Å; G113-L117 PolarHBondContact O-N 3.38Å
114G93.2Very high89.4Confident33 Ų3369 Ų6934%0.3438%0.378SS..Hα-helixtrans-59.7-51.4173.200000112.5G110 S111 F112 F116 L117 I118G110-G114 PolarHBondContact O-N 3.09Å; S111-G114 PolarHBondContact O-N 2.99Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 3.08Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.08Å; G114-L117 PolarHBondContact O-N 3.44Å; G114-I118 VanDerWaalsContact O-CG1 3.26Å; G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 2.95Å
115G92.2Very high89.4Confident3 Ų366.1 Ų66.13%0.03137%0.367CS..Hα-helixtrans-61.1-41.6176.700000112.8L39 S111 F112 I118 A119L39-G115 WeakPolarHBondContact CD2-O 3.24Å; S111-G115 PolarHBondContact O-N 3.04Å; F112-G115 PolarHBondContact O-N 2.86Å; G115-I118 PolarHBondContact O-N 3.34Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å
116F94.6Very high89.6Confident48 Ų4866.4 Ų66.421%0.21137%0.37CS..Hα-helixtrans-60-48.3177.1177-98.5000112.3G38 A41 F45 F112 G113 G114 A119 I120G38-F116 WeakPolarHBondContact O-CA 3.45Å; G38-F116 PolarHBondContact O-N 3.05Å; A41-F116 HydrophobicContact CB-CD2 4.33Å; F45-F116 HydrophobicContact CB-CE2 3.77Å; F45-F116 HydrophobicContact CB-CZ 4.17Å; F45-F116 HydrophobicContact CD1-CE2 4.21Å; F45-F116 AromaticContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD1-CZ 3.72Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CZ 4.19Å; F45-F116 AromaticContact CG-CE2 3.94Å; F45-F116 HydrophobicContact CG-CE2 3.94Å; F45-F116 AromaticContact CG-CZ 3.82Å; F45-F116 HydrophobicContact CG-CZ 3.82Å; F112-F116 HydrophobicContact CE1-CB 4.37Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 3.27Å; G113-F116 PolarHBondContact O-N 3.14Å; G114-F116 VanDerWaalsContact C-N 3.34Å; G114-F116 PolarHBondContact O-N 3.08Å; F116-A119 PolarHBondContact O-N 3.39Å; F116-I120 HydrophobicContact CD1-CD1 3.72Å; F116-I120 HydrophobicContact CD2-CD1 4.5Å; F116-I120 HydrophobicContact CE1-CD1 3.18Å; F116-I120 HydrophobicContact CE1-CG1 4.38Å; F116-I120 HydrophobicContact CE2-CD1 4.04Å; F116-I120 HydrophobicContact CG-CD1 4.36Å; F116-I120 HydrophobicContact CZ-CD1 3.38Å; F116-I120 HydrophobicContact CZ-CG1 4.41Å; F116-I120 WeakPolarHBondContact O-CG1 3.48Å; F116-I120 PolarHBondContact O-N 3.02Å
117L95Very high89.8Confident115 Ų11560.5 Ų60.560%0.60235%0.354SS*.Hα-helixtrans-66.3-40.4178-70.6174.5000112.1G113 G114 A119 I120 S121G113-L117 WeakPolarHBondContact O-CB 3.45Å; G113-L117 VanDerWaalsContact O-CG 3.31Å; G113-L117 WeakPolarHBondContact O-CG 3.36Å; G113-L117 PolarHBondContact O-N 3.38Å; G114-L117 PolarHBondContact O-N 3.44Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.91Å; L117-I120 PolarHBondContact O-N 3.11Å; L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 3.35Å
118I93.5Very high90.2Very high92 Ų9259.4 Ų59.447%0.47235%0.347SS..Hα-helixtrans-59.4-47.2174.1-69.8167.9000110L39 G114 G115 I120 S121 F122L39-I118 HydrophobicContact CD2-CB 4.24Å; L39-I118 HydrophobicContact CD2-CG2 3.95Å; G114-I118 VanDerWaalsContact O-CG1 3.26Å; G114-I118 WeakPolarHBondContact O-CG1 3.47Å; G114-I118 PolarHBondContact O-N 2.95Å; G115-I118 PolarHBondContact O-N 3.34Å; I118-I120 PolarHBondContact O-N 3.33Å; I118-S121 WeakPolarHBondContact O-CB 3.37Å; I118-S121 PolarHBondContact O-N 3.46Å; I118-S121 VanDerWaalsContact O-N 3.14Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 4.11Å; I118-F122 WeakPolarHBondContact O-CD2 3.41Å; I118-F122 PolarHBondContact O-N 2.95Å; I118-F122 VanDerWaalsContact O-N 3.11Å
119A90.7Very high90.4Very high10 Ų1059.8 Ų59.88%0.08336%0.355CS..Hα-helixtrans-63.4-39.7177.800000112.8L39 G115 F116 L117 S121 F122 A123L39-A119 HydrophobicContact CB-CB 4.42Å; L39-A119 HydrophobicContact CD2-CB 3.88Å; L39-A119 WeakPolarHBondContact O-CB 3.4Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å; F116-A119 PolarHBondContact O-N 3.39Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.91Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 2.92Å; A119-F122 PolarHBondContact O-N 3.28Å; A119-A123 VanDerWaalsContact O-CB 3.22Å; A119-A123 WeakPolarHBondContact O-CB 3.22Å; A119-A123 PolarHBondContact O-N 3.28Å
120I90.2Very high90.5Very high46 Ų4658.9 Ų58.924%0.23636%0.357CS..Hα-helixtrans-62.5-37.2174.2-73.2176000111.7F45 A46 R50 F116 L117 I118 F122F45-I120 HydrophobicContact CD1-CD1 3.64Å; F45-I120 HydrophobicContact CD1-CG1 4.21Å; F45-I120 HydrophobicContact CE1-CD1 4.04Å; A46-I120 HydrophobicContact CB-CG1 4.34Å; R50-I120 PolarHBondContact NH2-O 3.49Å; F116-I120 HydrophobicContact CD1-CD1 3.72Å; F116-I120 HydrophobicContact CD2-CD1 4.5Å; F116-I120 HydrophobicContact CE1-CD1 3.18Å; F116-I120 HydrophobicContact CE1-CG1 4.38Å; F116-I120 HydrophobicContact CE2-CD1 4.04Å; F116-I120 HydrophobicContact CG-CD1 4.36Å; F116-I120 HydrophobicContact CZ-CD1 3.38Å; F116-I120 HydrophobicContact CZ-CG1 4.41Å; F116-I120 WeakPolarHBondContact O-CG1 3.48Å; F116-I120 PolarHBondContact O-N 3.02Å; L117-I120 PolarHBondContact O-N 3.11Å; I118-I120 PolarHBondContact O-N 3.33Å; I120-F122 VanDerWaalsContact C-N 3.32Å
121S89.9Confident90.5Very high95 Ų9559.5 Ų59.566%0.66435%0.345SS*.Hα-helixtrans-67.6-31.4179.3-171.50000112.9L117 I118 A119L117-S121 WeakPolarHBondContact O-CB 3.27Å; L117-S121 PolarHBondContact O-N 3.35Å; I118-S121 WeakPolarHBondContact O-CB 3.37Å; I118-S121 PolarHBondContact O-N 3.46Å; I118-S121 VanDerWaalsContact O-N 3.14Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 2.92Å
122F82.5Confident90.6Very high182 Ų18263.1 Ų63.180%0.79836%0.364SS*.Hα-helixtrans-97.4-23.8-178.3-83.5-76.7000114.8I118 A119 I120I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 4.11Å; I118-F122 WeakPolarHBondContact O-CD2 3.41Å; I118-F122 PolarHBondContact O-N 2.95Å; I118-F122 VanDerWaalsContact O-N 3.11Å; A119-F122 PolarHBondContact O-N 3.28Å; I120-F122 VanDerWaalsContact C-N 3.32Å
123A80Confident90.5Very high51 Ų5163.6 Ų63.642%0.42137%0.374SS..  trans-63.70174.100000111.4Y43 A46 R50 A119Y43-A123 HydrophobicContact CD2-CB 4.21Å; A46-A123 HydrophobicContact CB-CB 3.17Å; R50-A123 PolarHBondContact NH1-O 2.85Å; R50-A123 PolarHBondContact NH1-OXT 3.38Å; R50-A123 PolarHBondContact NH2-OXT 2.95Å; A119-A123 VanDerWaalsContact O-CB 3.22Å; A119-A123 WeakPolarHBondContact O-CB 3.22Å; A119-A123 PolarHBondContact O-N 3.28Å

Retrieved 123 of 123 residues in 75.5 ms (Link to these results)