A0A061IFB8_CRIGR Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A061IFB8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ndufb6, Length 128 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
1M48.1Very low84.4Confident246 Ų246124.2 Ų124.2100%1.21265%0.65SS**  0770-66-176.5177.500107.9G3M1-G3 PolarHBondContact O-N 3.45Å
2T61.2Low85.4Confident143 Ų143119.6 Ų119.688%0.87763%0.626SS**  trans-83.1107.9-174.440.40000108.2
3G83.3Confident86.2Confident65 Ų65119.2 Ų119.267%0.6762%0.619SS**  trans-67.5-174.4172.800000112.2M1M1-G3 PolarHBondContact O-N 3.45Å
4Y85.9Confident86.9Confident146 Ų146118.6 Ų118.657%0.57361%0.611SS**  trans-53.2138.9-178.1-61.3-75.2000113.6E8 K9 L12Y4-E8 WeakPolarHBondContact CA-OE2 3.41Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; Y4-K9 HydrophobicContact CG-CG 4.5Å; Y4-K9 VanDerWaalsContact O-CE 3.23Å; Y4-K9 WeakPolarHBondContact O-CE 3.31Å; Y4-L12 HydrophobicContact CD1-CD1 4.01Å; Y4-L12 HydrophobicContact CE1-CD1 3.85Å; Y4-L12 HydrophobicContact CG-CD1 4.4Å
5T90.9Very high87.6Confident65 Ų65116.7 Ų116.740%0.39960%0.602SS.*  trans-66.3157.8170.264.20000110.4D7 E8 K9T5-D7 PolarHBondContact O-N 3.32Å; T5-E8 PolarHBondContact N-OE2 3.27Å; T5-E8 PolarHBondContact O-N 3.08Å; T5-E8 WeakPolarHBondContact OG1-CG 3.29Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; T5-K9 WeakPolarHBondContact O-CG 3.4Å; T5-K9 PolarHBondContact O-N 3.06Å
6P90.8Very high88.2Confident106 Ų106117.8 Ų117.869%0.68860%0.596SS**Hα-helixtrans-54.2-39.3179-27.436000113.5K9 L10P6-K9 PolarHBondContact O-N 3.11Å; P6-L10 PolarHBondContact O-N 3.38Å
7D92.3Very high88.7Confident126 Ų126115.5 Ų115.567%0.67459%0.589SS**Hα-helixtrans-70-38.9179.8-62.5-28.7000112.3T5 K9 L10 R11T5-D7 PolarHBondContact O-N 3.32Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.85Å; D7-L10 PolarHBondContact O-N 3.27Å; D7-R11 WeakPolarHBondContact O-CB 3.43Å; D7-R11 PolarHBondContact O-N 3.35Å
8E93Very high89.2Confident92 Ų92114.9 Ų114.943%0.4359%0.587SS.*Hα-helixtrans-63.5-40.3173.7-73.9165.7-177.800111.5Y4 T5 R11 L12Y4-E8 WeakPolarHBondContact CA-OE2 3.41Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; T5-E8 PolarHBondContact N-OE2 3.27Å; T5-E8 PolarHBondContact O-N 3.08Å; T5-E8 WeakPolarHBondContact OG1-CG 3.29Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; E8-R11 PolarHBondContact O-N 2.81Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.33Å; E8-L12 PolarHBondContact O-N 2.88Å
9K93.1Very high89.6Confident114 Ų114116.6 Ų116.650%0.49659%0.585SS.*Hα-helixtrans-63.8-44175.6-70178.1-179.4170.10111.3Y4 T5 P6 D7 L12 Q13Y4-K9 HydrophobicContact CG-CG 4.5Å; Y4-K9 VanDerWaalsContact O-CE 3.23Å; Y4-K9 WeakPolarHBondContact O-CE 3.31Å; T5-K9 WeakPolarHBondContact O-CG 3.4Å; T5-K9 PolarHBondContact O-N 3.06Å; P6-K9 PolarHBondContact O-N 3.11Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.85Å; K9-L12 PolarHBondContact O-N 2.94Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.5Å
10L94.9Very high90Very high92 Ų92119.4 Ų119.448%0.48259%0.588SS.*Hα-helixtrans-60.7-47176.8-177.666.3000110.8P6 D7 L12 Q13 Q14P6-L10 PolarHBondContact O-N 3.38Å; D7-L10 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 2.87Å; L10-Q13 PolarHBondContact O-N 2.75Å; L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.28Å
11R95.1Very high90.3Very high171 Ų171118.7 Ų118.765%0.64558%0.584SS**Hα-helixtrans-61.7-44177.9-174.4-179.7177.8105.4-0.5112.4D7 E8 Q13 Q14 L15D7-R11 WeakPolarHBondContact O-CB 3.43Å; D7-R11 PolarHBondContact O-N 3.35Å; E8-R11 PolarHBondContact O-N 2.81Å; R11-Q13 VanDerWaalsContact C-N 3.31Å; R11-Q13 PolarHBondContact O-N 3.49Å; R11-Q14 PolarHBondContact O-N 3.44Å; R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.26Å; R11-L15 PolarHBondContact O-N 2.86Å
12L96Very high92.6Very high69 Ų69114 Ų11436%0.36155%0.553SS.*Hα-helixtrans-64.8-36.2178-73.7173000112.1Y4 E8 K9 L10 R16Y4-L12 HydrophobicContact CD1-CD1 4.01Å; Y4-L12 HydrophobicContact CE1-CD1 3.85Å; Y4-L12 HydrophobicContact CG-CD1 4.4Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.33Å; E8-L12 PolarHBondContact O-N 2.88Å; K9-L12 PolarHBondContact O-N 2.94Å; L10-L12 PolarHBondContact O-N 2.87Å; L12-R16 WeakPolarHBondContact O-CB 3.43Å; L12-R16 PolarHBondContact O-N 3.36Å
13Q95.4Very high94.3Very high115 Ų115111.4 Ų111.454%0.53753%0.533SS..Hα-helixtrans-66.2-44.9173.7-74.8178.2-5.400111.6K9 L10 R11 R16 V17K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.5Å; L10-Q13 PolarHBondContact O-N 2.75Å; R11-Q13 VanDerWaalsContact C-N 3.31Å; R11-Q13 PolarHBondContact O-N 3.49Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 PolarHBondContact O-N 3.23Å; Q13-V17 WeakPolarHBondContact O-CG2 3.28Å; Q13-V17 PolarHBondContact O-N 3.49Å
14Q96.3Very high94.9Very high110 Ų110115.2 Ų115.251%0.51453%0.531SS..Hα-helixtrans-59.1-49176.2-71.7171.8-10.900111.7L10 R11 R16 V17 L18L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.28Å; R11-Q14 PolarHBondContact O-N 3.44Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 3.42Å; Q14-V17 PolarHBondContact O-N 3.19Å; Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 3.01Å; Q14-L18 VanDerWaalsContact O-N 3.08Å
15L97.5Very high95.4Very high90 Ų90113.9 Ų113.947%0.47153%0.534SS..Hα-helixtrans-61.9-36176.6-72174.3000112.3R11 L18 R19R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.26Å; R11-L15 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 3.26Å; L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 PolarHBondContact O-N 3.31Å
16R96.6Very high95.6Very high135 Ų135116.2 Ų116.251%0.50954%0.54SS..Hα-helixtrans-66.6-37.8177.4-172.5178.8-65.2150.80.1112L12 Q13 Q14 R20L12-R16 WeakPolarHBondContact O-CB 3.43Å; L12-R16 PolarHBondContact O-N 3.36Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 PolarHBondContact O-N 3.23Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 3.42Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 2.86Å
17V97.4Very high95.6Very high78 Ų78118.3 Ų118.347%0.47354%0.541SS..Hα-helixtrans-66.5-48.8175.6173.30000110.5Q13 Q14 R19 R20 Q21Q13-V17 WeakPolarHBondContact O-CG2 3.28Å; Q13-V17 PolarHBondContact O-N 3.49Å; Q14-V17 PolarHBondContact O-N 3.19Å; V17-R19 VanDerWaalsContact C-N 3.29Å; V17-R19 PolarHBondContact O-N 2.9Å; V17-R20 PolarHBondContact O-N 3.4Å; V17-R20 VanDerWaalsContact O-N 3.14Å; V17-Q21 PolarHBondContact O-N 2.93Å
18L97.7Very high95.5Very high105 Ų105119 Ų11955%0.5554%0.544SS..Hα-helixtrans-59.1-41.6176.4-67.4173.4000111.6Q14 L15 R20 Q21 W22Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 3.01Å; Q14-L18 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.26Å; L18-R20 PolarHBondContact O-N 2.86Å; L18-Q21 PolarHBondContact O-N 2.98Å; L18-W22 WeakPolarHBondContact O-CB 3.45Å; L18-W22 PolarHBondContact O-N 3.4Å
19R97.1Very high95.3Very high147 Ų147118 Ų11856%0.55555%0.547SS*.Hα-helixtrans-64.2-39.2177.4-176.158175.5-179.81.3112.2L15 V17 L23L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 PolarHBondContact O-N 3.31Å; V17-R19 VanDerWaalsContact C-N 3.29Å; V17-R19 PolarHBondContact O-N 2.9Å; R19-L23 HydrophobicContact CG-CD1 4.07Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.41Å; R19-L23 WeakPolarHBondContact O-CG 3.49Å; R19-L23 PolarHBondContact O-N 3.06Å
20R97.1Very high95.1Very high172 Ų172119.2 Ų119.265%0.64957%0.566SS**Hα-helixtrans-66.7-39.7177-75.9172.2178.9-177.3-1.6112R16 V17 L18 K24R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 2.86Å; V17-R20 PolarHBondContact O-N 3.4Å; V17-R20 VanDerWaalsContact O-N 3.14Å; L18-R20 PolarHBondContact O-N 2.86Å; R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 2.89Å
21Q96.9Very high94.7Very high106 Ų106125.5 Ų125.550%0.49558%0.584SS.*Hα-helixtrans-65.3-49.3174.5-72.9172.9-25.600111V17 L18 L23 K24 D25V17-Q21 PolarHBondContact O-N 2.93Å; L18-Q21 PolarHBondContact O-N 2.98Å; Q21-L23 VanDerWaalsContact C-N 3.3Å; Q21-L23 PolarHBondContact O-N 3.42Å; Q21-K24 CarbonylContact O-C 3.59Å; Q21-K24 WeakPolarHBondContact O-CA 3.26Å; Q21-K24 WeakPolarHBondContact O-CB 3.25Å; Q21-K24 PolarHBondContact O-N 3.43Å; Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 3.44Å
22W96.9Very high94.1Very high148 Ų148122.8 Ų122.856%0.56158%0.578SS**Hα-helixtrans-56.1-43.4175.9-179.4-92.8000112.7L18 K24 D25 Q26L18-W22 WeakPolarHBondContact O-CB 3.45Å; L18-W22 PolarHBondContact O-N 3.4Å; W22-K24 VanDerWaalsContact C-N 3.3Å; W22-K24 PolarHBondContact O-N 3.35Å; W22-D25 PolarHBondContact O-N 2.88Å; W22-Q26 WeakPolarHBondContact O-CG 3.33Å; W22-Q26 PolarHBondContact O-N 3.22Å
23L96.7Very high93.7Very high88 Ų88126 Ų12646%0.46160%0.603SS.*Hα-helixtrans-64.3-36177-73.9169.8000112.3R19 Q21 D25 Q26R19-L23 HydrophobicContact CG-CD1 4.07Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.41Å; R19-L23 WeakPolarHBondContact O-CG 3.49Å; R19-L23 PolarHBondContact O-N 3.06Å; Q21-L23 VanDerWaalsContact C-N 3.3Å; Q21-L23 PolarHBondContact O-N 3.42Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-Q26 PolarHBondContact O-N 3.41Å
24K95.9Very high93.4Very high144 Ų144126.8 Ų126.863%0.62662%0.616SS**Hα-helixtrans-68-36.1174.4-167.6177.9-178-177.40111.6R20 Q21 W22 Q26 E27R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 2.89Å; Q21-K24 CarbonylContact O-C 3.59Å; Q21-K24 WeakPolarHBondContact O-CA 3.26Å; Q21-K24 WeakPolarHBondContact O-CB 3.25Å; Q21-K24 PolarHBondContact O-N 3.43Å; W22-K24 VanDerWaalsContact C-N 3.3Å; W22-K24 PolarHBondContact O-N 3.35Å; K24-Q26 PolarHBondContact O-N 3.45Å; K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3.22Å; K24-E27 VanDerWaalsContact O-N 3.09Å
25D95.5Very high93.1Very high119 Ų119128.8 Ų128.864%0.63663%0.629SS**Hα-helixtrans-71.5-14.8176.9-61.7-23.5000112.9Q21 W22 L23 E27Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 3.44Å; W22-D25 PolarHBondContact O-N 2.88Å; L23-D25 VanDerWaalsContact C-N 3.34Å; D25-E27 VanDerWaalsContact C-N 3.31Å
26Q94.3Very high92.8Very high113 Ų113129.5 Ų129.553%0.52864%0.639SS.*THydrogen-bonded Turntrans-82-8.5170.6-64.2-61.1-78.300113.1W22 L23 K24 L28W22-Q26 WeakPolarHBondContact O-CG 3.33Å; W22-Q26 PolarHBondContact O-N 3.22Å; L23-Q26 PolarHBondContact O-N 3.41Å; K24-Q26 PolarHBondContact O-N 3.45Å; Q26-L28 PolarHBondContact O-N 3.36Å
27E92.6Very high92.4Very high150 Ų150129.1 Ų129.170%0.70165%0.654SS**  trans-71.1104173-64.1179.2-179.700108.9K24 D25K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3.22Å; K24-E27 VanDerWaalsContact O-N 3.09Å; D25-E27 VanDerWaalsContact C-N 3.31Å
28L89.8Confident91.9Very high141 Ų141136.7 Ų136.774%0.73867%0.674SS**  trans-71135.1177.5-79.7145.9000110.5Q26Q26-L28 PolarHBondContact O-N 3.36Å
29S87.7Confident91.3Very high70 Ų70141.8 Ų141.849%0.4969%0.692SS.*  trans-70.6151.8171.4830000110.1R31S29-R31 PolarHBondContact O-N 2.96Å; S29-R31 PolarHBondContact OG-N 3.02Å
30P88.7Confident91Very high140 Ų140137.8 Ų137.891%0.90968%0.684SS**SBendtrans-60.9-8.5177.8-25.134.4000115.5E32P30-E32 PolarHBondContact O-N 2.95Å
31R86.6Confident90.7Very high225 Ų225138.2 Ų138.285%0.84969%0.686SS**  trans-96.178.8-178.9-65.6-172177.1101-0.6109.8S29S29-R31 PolarHBondContact O-N 2.96Å; S29-R31 PolarHBondContact OG-N 3.02Å
32E84.2Confident90.5Very high114 Ų114138 Ų13853%0.53369%0.693SS.*  trans-90145.7171.9-65.9-17617500110.7P30 V34P30-E32 PolarHBondContact O-N 2.95Å; E32-V34 PolarHBondContact O-N 3.41Å
33P86.5Confident90.2Very high136 Ų136134.7 Ų134.788%0.88369%0.686SS**  trans-67.5105.6171.428.1-32.4000109.4
34V88.8Confident89.9Confident132 Ų132135.6 Ų135.680%0.869%0.688SS**PPolyproline II helixtrans-88.5139.4175.6-171.50000109.2E32E32-V34 PolarHBondContact O-N 3.41Å
35L91.7Very high89.8Confident151 Ų151131 Ų13179%0.79167%0.673SS**PPolyproline II helixtrans-56.7146.9170.9-66.8174.9000110.3
36P90.3Very high89.7Confident106 Ų106130.5 Ų130.569%0.68867%0.665SS**PPolyproline II helixtrans-57.2145.8175.625.1-33.9000110.4R38P36-R38 PolarHBondContact O-N 3.35Å
37P87.1Confident89.8Confident126 Ų126126.5 Ų126.582%0.81865%0.645SS**PPolyproline II helixtrans-60.5137.9-178.724.1-32.6000110.5
38R87.4Confident89.8Confident237 Ų237123.9 Ų123.989%0.89464%0.636SS**PPolyproline II helixtrans-62.7139.6174.4-68.5-176.8178.5-179.1-0.5109.5P36 T40P36-R38 PolarHBondContact O-N 3.35Å; R38-T40 PolarHBondContact O-N 3Å; R38-T40 VanDerWaalsContact O-N 3.12Å
39K86.4Confident90Very high212 Ų212121.8 Ų121.892%0.92263%0.625SS**  trans-66.3111.8175.4-167175.9-176.2-1800108.9
40T89.4Confident90.2Very high64 Ų64121 Ų12139%0.39361%0.613SS.*  trans-76.2144.4177.148.80000110.8R38 T45R38-T40 PolarHBondContact O-N 3Å; R38-T40 VanDerWaalsContact O-N 3.12Å; T40-T45 PolarHBondContact OG1-OG1 3.49Å
41W90.8Very high90.5Very high181 Ų181116 Ų11669%0.68658%0.579SS**  trans-67147.6174.8-173.3-82.8000110.1L43 E44 T45W41-L43 PolarHBondContact O-N 3.27Å; W41-L43 VanDerWaalsContact O-N 3.07Å; W41-E44 HydrophobicContact CB-CG 4.16Å; W41-E44 PolarHBondContact N-OE2 2.93Å; W41-E44 VanDerWaalsContact N-OE2 3.16Å; W41-E44 WeakPolarHBondContact O-CA 3.23Å; W41-E44 WeakPolarHBondContact O-CB 3.34Å; W41-E44 PolarHBondContact O-N 3Å; W41-T45 PolarHBondContact O-N 3.26Å; W41-T45 PolarHBondContact O-OG1 3.35Å
42P93Very high90.9Very high100 Ų100115 Ų11565%0.64958%0.575SS**Hα-helixtrans-50-38.9-178.1-31.135.4000115T45 F46P42-T45 WeakPolarHBondContact O-CB 3.19Å; P42-T45 PolarHBondContact O-N 2.99Å; P42-F46 PolarHBondContact O-N 3.03Å
43L91.1Very high91.2Very high80 Ų80115.2 Ų115.242%0.41958%0.58SS.*Hα-helixtrans-66-40.5174.4-17059.2000113.5W41 T45 F46 W47 Y65W41-L43 PolarHBondContact O-N 3.27Å; W41-L43 VanDerWaalsContact O-N 3.07Å; L43-T45 VanDerWaalsContact C-N 3.33Å; L43-F46 HydrophobicContact CD1-CD1 4.46Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.41Å; L43-W47 PolarHBondContact O-N 3.49Å; L43-Y65 WeakPolarHBondContact CD2-OH 3.47Å
44E91.1Very high91.3Very high106 Ų106110.2 Ų110.250%0.49555%0.552SS.*Hα-helixtrans-65.4-41.9174.4-66.6177.516000110.4W41 F46 W47 N48W41-E44 HydrophobicContact CB-CG 4.16Å; W41-E44 PolarHBondContact N-OE2 2.93Å; W41-E44 VanDerWaalsContact N-OE2 3.16Å; W41-E44 WeakPolarHBondContact O-CA 3.23Å; W41-E44 WeakPolarHBondContact O-CB 3.34Å; W41-E44 PolarHBondContact O-N 3Å; E44-F46 VanDerWaalsContact C-N 3.32Å; E44-F46 PolarHBondContact O-N 3.02Å; E44-W47 PolarHBondContact O-N 2.91Å; E44-N48 WeakPolarHBondContact O-CB 3.21Å; E44-N48 PolarHBondContact O-N 3.42Å; E44-N48 PolarHBondContact O-ND2 2.97Å
45T93.3Very high91.6Very high49 Ų49105.3 Ų105.330%0.30153%0.526SS..Hα-helixtrans-59.3-43.7174.2-55.10000111.2T40 W41 P42 L43 N48 N49T40-T45 PolarHBondContact OG1-OG1 3.49Å; W41-T45 PolarHBondContact O-N 3.26Å; W41-T45 PolarHBondContact O-OG1 3.35Å; P42-T45 WeakPolarHBondContact O-CB 3.19Å; P42-T45 PolarHBondContact O-N 2.99Å; L43-T45 VanDerWaalsContact C-N 3.33Å; T45-N48 PolarHBondContact O-N 3.48Å; T45-N49 WeakPolarHBondContact O-CB 3.4Å; T45-N49 VanDerWaalsContact O-CG 3.3Å; T45-N49 PolarHBondContact O-N 3.27Å; T45-N49 PolarHBondContact O-ND2 3.3Å
46F94.1Very high91.7Very high107 Ų107104.8 Ų104.847%0.46952%0.523SS..Hα-helixtrans-58.2-51.6173.6168-95.2000111.7P42 L43 E44 N48 N49 F50P42-F46 PolarHBondContact O-N 3.03Å; L43-F46 HydrophobicContact CD1-CD1 4.46Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.41Å; E44-F46 VanDerWaalsContact C-N 3.32Å; E44-F46 PolarHBondContact O-N 3.02Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 2.91Å; F46-N49 PolarHBondContact O-N 3.33Å; F46-F50 HydrophobicContact CZ-CB 4.48Å; F46-F50 WeakPolarHBondContact O-CB 3.09Å; F46-F50 PolarHBondContact O-N 3.45Å
47W94.4Very high92Very high30 Ų30107 Ų10711%0.11452%0.518CS..Hα-helixtrans-63.7-39.4-179.4-76.2118.8000112.4L43 E44 N49 F50 L51 I61 F62 Y65L43-W47 PolarHBondContact O-N 3.49Å; E44-W47 PolarHBondContact O-N 2.91Å; W47-N49 VanDerWaalsContact C-N 3.35Å; W47-N49 PolarHBondContact O-N 2.98Å; W47-F50 AromaticContact CE3-CD1 3.93Å; W47-F50 HydrophobicContact CE3-CD1 3.93Å; W47-F50 AromaticContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CE1 4.11Å; W47-F50 PolarHBondContact O-N 2.94Å; W47-L51 WeakPolarHBondContact O-CB 3.5Å; W47-L51 VanDerWaalsContact O-CG 3.22Å; W47-L51 WeakPolarHBondContact O-CG 3.47Å; W47-L51 PolarHBondContact O-N 3.49Å; W47-I61 HydrophobicContact CH2-CG2 4.23Å; W47-I61 HydrophobicContact CZ3-CG2 4.37Å; W47-F62 HydrophobicContact CB-CD2 4.22Å; W47-F62 HydrophobicContact CB-CE2 3.8Å; W47-F62 AromaticContact CD2-CD2 3.59Å; W47-F62 HydrophobicContact CD2-CD2 3.59Å; W47-F62 AromaticContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CE3-CB 4.39Å; W47-F62 AromaticContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CE2 4.27Å; W47-F62 HydrophobicContact CE3-CG 4.4Å; W47-F62 AromaticContact CG-CD2 3.9Å; W47-F62 HydrophobicContact CG-CD2 3.9Å; W47-F62 AromaticContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CZ3-CB 4.38Å; W47-F62 HydrophobicContact CZ3-CD2 4.13Å; W47-Y65 AromaticContact CE2-CD1 3.78Å; W47-Y65 AromaticContact CE2-CE1 3.76Å; W47-Y65 HydrophobicContact CH2-CD1 4.48Å; W47-Y65 HydrophobicContact CH2-CG 4.27Å; W47-Y65 AromaticContact CZ2-CD1 3.68Å; W47-Y65 HydrophobicContact CZ2-CD1 3.68Å; W47-Y65 AromaticContact CZ2-CD2 3.95Å; W47-Y65 HydrophobicContact CZ2-CD2 3.95Å; W47-Y65 AromaticContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE2 4.23Å; W47-Y65 AromaticContact CZ2-CG 3.65Å; W47-Y65 HydrophobicContact CZ2-CG 3.65Å; W47-Y65 AromaticContact NE1-CD1 3.83Å; W47-Y65 AromaticContact NE1-CE1 3.31Å; W47-Y65 VanDerWaalsContact NE1-CE1 3.31Å; W47-Y65 AromaticContact NE1-CZ 3.66Å
48N92.6Very high92.3Very high95 Ų95102.3 Ų102.351%0.50849%0.485SS..Hα-helixtrans-61.4-43.4175.6-71.5-21000111.5E44 T45 F46 R52E44-N48 WeakPolarHBondContact O-CB 3.21Å; E44-N48 PolarHBondContact O-N 3.42Å; E44-N48 PolarHBondContact O-ND2 2.97Å; T45-N48 PolarHBondContact O-N 3.48Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 2.91Å; N48-R52 PolarHBondContact O-N 3.24Å
49N94.3Very high92.7Very high97 Ų9796.4 Ų96.452%0.51947%0.465SS..Hα-helixtrans-68.7-43.2176.1-72.7-26.9000112T45 F46 W47 L51 R52T45-N49 WeakPolarHBondContact O-CB 3.4Å; T45-N49 VanDerWaalsContact O-CG 3.3Å; T45-N49 PolarHBondContact O-N 3.27Å; T45-N49 PolarHBondContact O-ND2 3.3Å; F46-N49 PolarHBondContact O-N 3.33Å; W47-N49 VanDerWaalsContact C-N 3.35Å; W47-N49 PolarHBondContact O-N 2.98Å; N49-L51 VanDerWaalsContact C-N 3.3Å; N49-L51 PolarHBondContact O-N 2.82Å; N49-R52 WeakPolarHBondContact O-CB 3.32Å; N49-R52 PolarHBondContact O-N 3.33Å
50F93.6Very high93.1Very high52 Ų5290.6 Ų90.623%0.22845%0.448CS..Hα-helixtrans-60.5-40.6179.3-178.5-107.3000111.8F46 W47 R52 W57 K58F46-F50 HydrophobicContact CZ-CB 4.48Å; F46-F50 WeakPolarHBondContact O-CB 3.09Å; F46-F50 PolarHBondContact O-N 3.45Å; W47-F50 AromaticContact CE3-CD1 3.93Å; W47-F50 HydrophobicContact CE3-CD1 3.93Å; W47-F50 AromaticContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CE1 4.11Å; W47-F50 PolarHBondContact O-N 2.94Å; F50-R52 VanDerWaalsContact C-N 3.33Å; F50-W57 HydrophobicContact CE2-CH2 4.37Å; F50-W57 AromaticContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CZ3 4.04Å; F50-K58 HydrophobicContact CD1-CB 4.19Å; F50-K58 HydrophobicContact CD1-CD 4.19Å; F50-K58 HydrophobicContact CD1-CG 4.42Å; F50-K58 HydrophobicContact CD2-CD 4.37Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE1-CD 3.92Å; F50-K58 HydrophobicContact CE1-CG 3.72Å; F50-K58 HydrophobicContact CE2-CD 4.09Å; F50-K58 HydrophobicContact CE2-CG 4.4Å; F50-K58 HydrophobicContact CG-CD 4.42Å; F50-K58 HydrophobicContact CZ-CB 4.14Å; F50-K58 HydrophobicContact CZ-CD 3.86Å; F50-K58 HydrophobicContact CZ-CG 3.7Å; F50-K58 WeakPolarHBondContact O-CD 3.18Å; F50-K58 PolarHBondContact O-NZ 2.85Å
51L94.7Very high93.4Very high37 Ų3790.9 Ų90.919%0.19445%0.446CS..THydrogen-bonded Turntrans-82.2-5.2-179.3-66.3171.5000114.5W47 N49 D53 G54 K58 K59 F62W47-L51 WeakPolarHBondContact O-CB 3.5Å; W47-L51 VanDerWaalsContact O-CG 3.22Å; W47-L51 WeakPolarHBondContact O-CG 3.47Å; W47-L51 PolarHBondContact O-N 3.49Å; N49-L51 VanDerWaalsContact C-N 3.3Å; N49-L51 PolarHBondContact O-N 2.82Å; L51-D53 VanDerWaalsContact C-N 3.25Å; L51-D53 PolarHBondContact O-N 3.22Å; L51-G54 PolarHBondContact O-N 2.89Å; L51-K58 HydrophobicContact CD2-CB 4Å; L51-K59 HydrophobicContact CD2-CG 4.35Å; L51-F62 HydrophobicContact CD1-CB 4.02Å; L51-F62 HydrophobicContact CD1-CD1 3.6Å; L51-F62 HydrophobicContact CD1-CD2 4.06Å; L51-F62 HydrophobicContact CD1-CE1 3.94Å; L51-F62 HydrophobicContact CD1-CE2 4.37Å; L51-F62 HydrophobicContact CD1-CG 3.64Å; L51-F62 HydrophobicContact CD1-CZ 4.3Å; L51-F62 HydrophobicContact CD2-CB 3.95Å; L51-F62 HydrophobicContact CD2-CG 4.48Å; L51-F62 HydrophobicContact CG-CB 4.47Å
52R93.8Very high93.6Very high203 Ų20384.5 Ų84.577%0.76642%0.423SS*.THydrogen-bonded Turntrans-55.7-38.1-173.5-171.7175.2-178.6174.3-0.8113.3N48 N49 F50 G54N48-R52 PolarHBondContact O-N 3.24Å; N49-R52 WeakPolarHBondContact O-CB 3.32Å; N49-R52 PolarHBondContact O-N 3.33Å; F50-R52 VanDerWaalsContact C-N 3.33Å; R52-G54 PolarHBondContact O-N 3.42Å
53D91.5Very high93.7Very high119 Ų11987.3 Ų87.364%0.63643%0.425SS*.THydrogen-bonded Turntrans-73.4-8.4-178.6-47.5-33.6000113.3L51 A55 K58L51-D53 VanDerWaalsContact C-N 3.25Å; L51-D53 PolarHBondContact O-N 3.22Å; D53-A55 PolarHBondContact O-N 3Å; D53-A55 VanDerWaalsContact O-N 3.08Å; D53-K58 IonicContact OD2-NZ 2.69Å; D53-K58 PolarHBondContact OD2-NZ 2.94Å
54G88.9Confident94Very high30 Ų3087.5 Ų87.531%0.30943%0.43SS..  trans70.82.5175.700000116.1L51 R52 L56 K59L51-G54 PolarHBondContact O-N 2.89Å; R52-G54 PolarHBondContact O-N 3.42Å; G54-L56 PolarHBondContact O-N 2.64Å; G54-K59 WeakPolarHBondContact O-CE 3.4Å; G54-K59 PolarHBondContact O-NZ 3.14Å
55A94.6Very high94.2Very high30 Ų3085.9 Ų85.925%0.24842%0.42CS..  trans-54.2133.4-178.500000112.7D53 W57 K58 K59D53-A55 PolarHBondContact O-N 3Å; D53-A55 VanDerWaalsContact O-N 3.08Å; A55-W57 PolarHBondContact O-N 3.01Å; A55-K58 HydrophobicContact CB-CD 4.25Å; A55-K58 HydrophobicContact CB-CG 4.07Å; A55-K58 PolarHBondContact O-N 3.21Å; A55-K59 PolarHBondContact O-N 3.35Å
56L94.6Very high94.3Very high139 Ų13991.1 Ų91.173%0.72843%0.434SS*.Hα-helixtrans-61.4-41.8-172.8-66.4176.6000112.8G54 K58 K59 V60G54-L56 PolarHBondContact O-N 2.64Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.2Å; L56-K59 WeakPolarHBondContact O-CB 3.24Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-K59 VanDerWaalsContact O-N 3.16Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.36Å
57W95.1Very high94.5Very high154 Ų15488.4 Ų88.458%0.58343%0.431SS*.Hα-helixtrans-62.7-37.1179.671.7-92000112.2F50 A55 K59 V60 I61F50-W57 HydrophobicContact CE2-CH2 4.37Å; F50-W57 AromaticContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CZ3 4.04Å; A55-W57 PolarHBondContact O-N 3.01Å; W57-K59 VanDerWaalsContact C-N 3.34Å; W57-K59 PolarHBondContact O-N 3.08Å; W57-V60 PolarHBondContact O-N 3.35Å; W57-I61 HydrophobicContact CE3-CD1 3.45Å; W57-I61 VanDerWaalsContact CE3-CD1 3.45Å; W57-I61 HydrophobicContact CE3-CG1 4.46Å; W57-I61 HydrophobicContact CZ3-CD1 3.45Å; W57-I61 VanDerWaalsContact CZ3-CD1 3.45Å; W57-I61 WeakPolarHBondContact O-CG1 3.36Å; W57-I61 PolarHBondContact O-N 3.03Å; W57-I61 VanDerWaalsContact O-N 3.07Å
58K94.3Very high94.6Very high27 Ų2790.2 Ų90.212%0.11745%0.448CS..Hα-helixtrans-65-39.1176.1-61.3-169.4-179.9-179.40111.6F50 L51 D53 A55 L56 V60 I61 F62F50-K58 HydrophobicContact CD1-CB 4.19Å; F50-K58 HydrophobicContact CD1-CD 4.19Å; F50-K58 HydrophobicContact CD1-CG 4.42Å; F50-K58 HydrophobicContact CD2-CD 4.37Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE1-CD 3.92Å; F50-K58 HydrophobicContact CE1-CG 3.72Å; F50-K58 HydrophobicContact CE2-CD 4.09Å; F50-K58 HydrophobicContact CE2-CG 4.4Å; F50-K58 HydrophobicContact CG-CD 4.42Å; F50-K58 HydrophobicContact CZ-CB 4.14Å; F50-K58 HydrophobicContact CZ-CD 3.86Å; F50-K58 HydrophobicContact CZ-CG 3.7Å; F50-K58 WeakPolarHBondContact O-CD 3.18Å; F50-K58 PolarHBondContact O-NZ 2.85Å; L51-K58 HydrophobicContact CD2-CB 4Å; D53-K58 IonicContact OD2-NZ 2.69Å; D53-K58 PolarHBondContact OD2-NZ 2.94Å; A55-K58 HydrophobicContact CB-CD 4.25Å; A55-K58 HydrophobicContact CB-CG 4.07Å; A55-K58 PolarHBondContact O-N 3.21Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.2Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-I61 PolarHBondContact O-N 2.95Å; K58-F62 PolarHBondContact O-N 3.28Å
59K94.5Very high94.8Very high112 Ų11289.7 Ų89.749%0.48745%0.445SS..Hα-helixtrans-64.3-39.1174.9-67.3178.6-179.9171.40111.9L51 G54 A55 L56 W57 F62 K63L51-K59 HydrophobicContact CD2-CG 4.35Å; G54-K59 WeakPolarHBondContact O-CE 3.4Å; G54-K59 PolarHBondContact O-NZ 3.14Å; A55-K59 PolarHBondContact O-N 3.35Å; L56-K59 WeakPolarHBondContact O-CB 3.24Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-K59 VanDerWaalsContact O-N 3.16Å; W57-K59 VanDerWaalsContact C-N 3.34Å; W57-K59 PolarHBondContact O-N 3.08Å; K59-F62 PolarHBondContact O-N 3.47Å; K59-K63 WeakPolarHBondContact O-CB 3.34Å; K59-K63 PolarHBondContact O-N 3.19Å
60V96.1Very high94.9Very high91 Ų9190.7 Ų90.755%0.55245%0.445SS*.Hα-helixtrans-61.6-47.8175.3174.10000110.6L56 W57 K58 F62 K63 T64L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.36Å; W57-V60 PolarHBondContact O-N 3.35Å; K58-V60 VanDerWaalsContact C-N 3.35Å; V60-F62 VanDerWaalsContact C-N 3.35Å; V60-F62 PolarHBondContact O-N 2.88Å; V60-K63 WeakPolarHBondContact O-CB 3.22Å; V60-K63 PolarHBondContact O-N 2.99Å; V60-T64 WeakPolarHBondContact O-CG2 3.42Å; V60-T64 PolarHBondContact O-N 2.99Å; V60-T64 PolarHBondContact O-OG1 2.85Å
61I95.6Very high95.1Very high69 Ų6991.3 Ų91.335%0.35445%0.453SS..Hα-helixtrans-59.5-45.1176.9-67.9174.3000111.5W47 W57 K58 K63 T64 Y65W47-I61 HydrophobicContact CH2-CG2 4.23Å; W47-I61 HydrophobicContact CZ3-CG2 4.37Å; W57-I61 HydrophobicContact CE3-CD1 3.45Å; W57-I61 VanDerWaalsContact CE3-CD1 3.45Å; W57-I61 HydrophobicContact CE3-CG1 4.46Å; W57-I61 HydrophobicContact CZ3-CD1 3.45Å; W57-I61 VanDerWaalsContact CZ3-CD1 3.45Å; W57-I61 WeakPolarHBondContact O-CG1 3.36Å; W57-I61 PolarHBondContact O-N 3.03Å; W57-I61 VanDerWaalsContact O-N 3.07Å; K58-I61 PolarHBondContact O-N 2.95Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 3.41Å; I61-T64 WeakPolarHBondContact CA-OG1 3.23Å; I61-T64 PolarHBondContact O-N 3.23Å; I61-T64 PolarHBondContact O-OG1 3.46Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.37Å
62F94.9Very high95.3Very high47 Ų4792.6 Ų92.621%0.20646%0.463CS..Hα-helixtrans-64.7-37.6178.5-178.8-116000112.2W47 L51 K58 K59 V60 Y65 R66W47-F62 HydrophobicContact CB-CD2 4.22Å; W47-F62 HydrophobicContact CB-CE2 3.8Å; W47-F62 AromaticContact CD2-CD2 3.59Å; W47-F62 HydrophobicContact CD2-CD2 3.59Å; W47-F62 AromaticContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CE3-CB 4.39Å; W47-F62 AromaticContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CE2 4.27Å; W47-F62 HydrophobicContact CE3-CG 4.4Å; W47-F62 AromaticContact CG-CD2 3.9Å; W47-F62 HydrophobicContact CG-CD2 3.9Å; W47-F62 AromaticContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CZ3-CB 4.38Å; W47-F62 HydrophobicContact CZ3-CD2 4.13Å; L51-F62 HydrophobicContact CD1-CB 4.02Å; L51-F62 HydrophobicContact CD1-CD1 3.6Å; L51-F62 HydrophobicContact CD1-CD2 4.06Å; L51-F62 HydrophobicContact CD1-CE1 3.94Å; L51-F62 HydrophobicContact CD1-CE2 4.37Å; L51-F62 HydrophobicContact CD1-CG 3.64Å; L51-F62 HydrophobicContact CD1-CZ 4.3Å; L51-F62 HydrophobicContact CD2-CB 3.95Å; L51-F62 HydrophobicContact CD2-CG 4.48Å; L51-F62 HydrophobicContact CG-CB 4.47Å; K58-F62 PolarHBondContact O-N 3.28Å; K59-F62 PolarHBondContact O-N 3.47Å; V60-F62 VanDerWaalsContact C-N 3.35Å; V60-F62 PolarHBondContact O-N 2.88Å; F62-Y65 HydrophobicContact CD2-CD1 4.26Å; F62-Y65 HydrophobicContact CE2-CD1 4.4Å; F62-Y65 PolarHBondContact O-N 3.03Å; F62-R66 HydrophobicContact CD2-CG 4.46Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CE2-CG 4.11Å; F62-R66 HydrophobicContact CZ-CG 4.02Å; F62-R66 WeakPolarHBondContact O-CG 3.36Å; F62-R66 PolarHBondContact O-N 3.22Å
63K95.6Very high95.4Very high159 Ų15985.5 Ų85.569%0.69144%0.444SS*.Hα-helixtrans-63.8-45.5175.8-174.2179179.2-177.70111.4K59 V60 I61 R66 A67K59-K63 WeakPolarHBondContact O-CB 3.34Å; K59-K63 PolarHBondContact O-N 3.19Å; V60-K63 WeakPolarHBondContact O-CB 3.22Å; V60-K63 PolarHBondContact O-N 2.99Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 3.41Å; K63-R66 PolarHBondContact O-N 3.36Å; K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 3.22Å
64T96.8Very high95.7Very high85 Ų8585.5 Ų85.552%0.52144%0.44SS..Hα-helixtrans-66-39.7177.754.70000111.6V60 I61 A67 S68V60-T64 WeakPolarHBondContact O-CG2 3.42Å; V60-T64 PolarHBondContact O-N 2.99Å; V60-T64 PolarHBondContact O-OG1 2.85Å; I61-T64 WeakPolarHBondContact CA-OG1 3.23Å; I61-T64 PolarHBondContact O-N 3.23Å; I61-T64 PolarHBondContact O-OG1 3.46Å; T64-A67 PolarHBondContact O-N 3.46Å; T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.32Å
65Y95.6Very high96.1Very high71 Ų7187.6 Ų87.628%0.27845%0.447SS..Hα-helixtrans-57.7-50.4172.7168.4-103.9000112.2L43 W47 I61 F62 A67 S68 L69L43-Y65 WeakPolarHBondContact CD2-OH 3.47Å; W47-Y65 AromaticContact CE2-CD1 3.78Å; W47-Y65 AromaticContact CE2-CE1 3.76Å; W47-Y65 HydrophobicContact CH2-CD1 4.48Å; W47-Y65 HydrophobicContact CH2-CG 4.27Å; W47-Y65 AromaticContact CZ2-CD1 3.68Å; W47-Y65 HydrophobicContact CZ2-CD1 3.68Å; W47-Y65 AromaticContact CZ2-CD2 3.95Å; W47-Y65 HydrophobicContact CZ2-CD2 3.95Å; W47-Y65 AromaticContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE2 4.23Å; W47-Y65 AromaticContact CZ2-CG 3.65Å; W47-Y65 HydrophobicContact CZ2-CG 3.65Å; W47-Y65 AromaticContact NE1-CD1 3.83Å; W47-Y65 AromaticContact NE1-CE1 3.31Å; W47-Y65 VanDerWaalsContact NE1-CE1 3.31Å; W47-Y65 AromaticContact NE1-CZ 3.66Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.37Å; F62-Y65 HydrophobicContact CD2-CD1 4.26Å; F62-Y65 HydrophobicContact CE2-CD1 4.4Å; F62-Y65 PolarHBondContact O-N 3.03Å; Y65-A67 PolarHBondContact O-N 2.89Å; Y65-S68 WeakPolarHBondContact O-CB 3.48Å; Y65-S68 PolarHBondContact O-N 3.41Å; Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.37Å; Y65-L69 HydrophobicContact CE2-CD1 4.06Å; Y65-L69 HydrophobicContact CE2-CD2 4.41Å; Y65-L69 HydrophobicContact CE2-CG 4.13Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.43Å; Y65-L69 PolarHBondContact O-N 2.93Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.5Å
66R95.3Very high96.3Very high159 Ų15989.3 Ų89.360%0.645%0.451SS*.Hα-helixtrans-64-40.2178.2-73.8-167.871.3160.34.3112.5F62 K63 S68 L69 F70F62-R66 HydrophobicContact CD2-CG 4.46Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CE2-CG 4.11Å; F62-R66 HydrophobicContact CZ-CG 4.02Å; F62-R66 WeakPolarHBondContact O-CG 3.36Å; F62-R66 PolarHBondContact O-N 3.22Å; K63-R66 PolarHBondContact O-N 3.36Å; R66-S68 VanDerWaalsContact C-N 3.32Å; R66-L69 PolarHBondContact O-N 3Å; R66-F70 PolarHBondContact O-N 3.06Å
67A97.1Very high96.4Very high51 Ų5186.2 Ų86.242%0.42144%0.435SS..Hα-helixtrans-62.5-42175.400000111K63 T64 Y65 F70 T71K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 3.22Å; T64-A67 PolarHBondContact O-N 3.46Å; Y65-A67 PolarHBondContact O-N 2.89Å; A67-F70 WeakPolarHBondContact O-CB 3.4Å; A67-F70 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-N 2.95Å; A67-T71 PolarHBondContact O-OG1 2.91Å
68S97.1Very high96.6Very high67 Ų6781.3 Ų81.347%0.46942%0.422SS..Hα-helixtrans-60.1-47.8175.6-1790000112T64 Y65 R66 F70 T71 V72T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.32Å; Y65-S68 WeakPolarHBondContact O-CB 3.48Å; Y65-S68 PolarHBondContact O-N 3.41Å; R66-S68 VanDerWaalsContact C-N 3.32Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.36Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-V72 WeakPolarHBondContact O-CG2 3.28Å; S68-V72 PolarHBondContact O-N 3.04Å
69L96.4Very high96.8Very high85 Ų8585.1 Ų85.145%0.44544%0.443SS..Hα-helixtrans-58.6-41.6174.9-73.2-179.4000112.4Y65 R66 S73Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.37Å; Y65-L69 HydrophobicContact CE2-CD1 4.06Å; Y65-L69 HydrophobicContact CE2-CD2 4.41Å; Y65-L69 HydrophobicContact CE2-CG 4.13Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.43Å; Y65-L69 PolarHBondContact O-N 2.93Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.5Å; R66-L69 PolarHBondContact O-N 3Å; L69-S73 WeakPolarHBondContact O-CB 3.18Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.12Å
70F97Very high96.9Very high117 Ų11788.6 Ų88.651%0.51345%0.454SS..Hα-helixtrans-62.5-48.2176.4179.2-95.5000111.1R66 A67 S68 V72 S73 H74R66-F70 PolarHBondContact O-N 3.06Å; A67-F70 WeakPolarHBondContact O-CB 3.4Å; A67-F70 PolarHBondContact O-N 2.94Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.36Å; F70-V72 PolarHBondContact O-N 3.09Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.07Å; F70-H74 HydrophobicContact CD2-CB 4.23Å; F70-H74 AromaticContact CD2-CE1 3.89Å; F70-H74 AromaticContact CD2-CG 3.75Å; F70-H74 AromaticContact CD2-ND1 3.48Å; F70-H74 WeakPolarHBondContact CD2-ND1 3.42Å; F70-H74 HydrophobicContact CE1-CB 4.29Å; F70-H74 HydrophobicContact CE2-CB 3.88Å; F70-H74 AromaticContact CE2-CD2 3.7Å; F70-H74 AromaticContact CE2-CG 3.48Å; F70-H74 VanDerWaalsContact CE2-CG 3.48Å; F70-H74 AromaticContact CE2-ND1 3.7Å; F70-H74 HydrophobicContact CZ-CB 3.92Å; F70-H74 WeakPolarHBondContact O-CB 3.35Å; F70-H74 PolarHBondContact O-N 3.16Å
71T98Very high97Very high65 Ų6591.2 Ų91.240%0.39946%0.458SS..Hα-helixtrans-59.7-44.9178.6-57.70000111.9A67 S68 V75 I76A67-T71 PolarHBondContact O-N 2.95Å; A67-T71 PolarHBondContact O-OG1 2.91Å; S68-T71 PolarHBondContact O-N 3.45Å; T71-V75 HydrophobicContact CG2-CB 4.41Å; T71-V75 WeakPolarHBondContact O-CA 3.39Å; T71-V75 WeakPolarHBondContact O-CB 3.47Å; T71-V75 PolarHBondContact O-N 2.92Å; T71-I76 HydrophobicContact CG2-CD1 4.39Å; T71-I76 HydrophobicContact CG2-CG1 4.43Å; T71-I76 PolarHBondContact O-N 3.42Å
72V98.1Very high97.1Very high64 Ų6493 Ų9339%0.38847%0.467SS..Iπ-helixtrans-62.9-50.3178.1174.10000110.9S68 F70 I76 I77S68-V72 WeakPolarHBondContact O-CG2 3.28Å; S68-V72 PolarHBondContact O-N 3.04Å; F70-V72 PolarHBondContact O-N 3.09Å; V72-I76 HydrophobicContact CG2-CD1 4.22Å; V72-I76 PolarHBondContact O-N 3.19Å; V72-I77 HydrophobicContact CG1-CD1 4.16Å; V72-I77 HydrophobicContact CG1-CG1 4.46Å; V72-I77 WeakPolarHBondContact O-CB 3.34Å; V72-I77 WeakPolarHBondContact O-CG1 3.45Å; V72-I77 PolarHBondContact O-N 3.25Å
73S97.4Very high97.3Very high55 Ų5596.3 Ų96.339%0.38548%0.483SS..Iπ-helixtrans-73.5-39.4-173.754.10000114.6L69 F70 P78L69-S73 WeakPolarHBondContact O-CB 3.18Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.12Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.07Å; S73-P78 VanDerWaalsContact O-CD 3.32Å; S73-P78 WeakPolarHBondContact O-CD 3.38Å
74H96.5Very high97.4Very high118 Ų11895 Ų9555%0.54647%0.474SS..Iπ-helixtrans-102.7-14.6-172-65.971.5000113.5F70F70-H74 HydrophobicContact CD2-CB 4.23Å; F70-H74 AromaticContact CD2-CE1 3.89Å; F70-H74 AromaticContact CD2-CG 3.75Å; F70-H74 AromaticContact CD2-ND1 3.48Å; F70-H74 WeakPolarHBondContact CD2-ND1 3.42Å; F70-H74 HydrophobicContact CE1-CB 4.29Å; F70-H74 HydrophobicContact CE2-CB 3.88Å; F70-H74 AromaticContact CE2-CD2 3.7Å; F70-H74 AromaticContact CE2-CG 3.48Å; F70-H74 VanDerWaalsContact CE2-CG 3.48Å; F70-H74 AromaticContact CE2-ND1 3.7Å; F70-H74 HydrophobicContact CZ-CB 3.92Å; F70-H74 WeakPolarHBondContact O-CB 3.35Å; F70-H74 PolarHBondContact O-N 3.16Å
75V97Very high97.5Very high74 Ų7497.1 Ų97.145%0.44847%0.474SS..Iπ-helixtrans-117-62.5-179.2-1720000110.9T71 L79T71-V75 HydrophobicContact CG2-CB 4.41Å; T71-V75 WeakPolarHBondContact O-CA 3.39Å; T71-V75 WeakPolarHBondContact O-CB 3.47Å; T71-V75 PolarHBondContact O-N 2.92Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 2.87Å
76I98.4Very high97.6Very high67 Ų6796.4 Ų96.434%0.34448%0.477SS..Iπ-helixtrans-66.8-48.9-170.6-60.2177.2000111.1T71 V72 L79 W80T71-I76 HydrophobicContact CG2-CD1 4.39Å; T71-I76 HydrophobicContact CG2-CG1 4.43Å; T71-I76 PolarHBondContact O-N 3.42Å; V72-I76 HydrophobicContact CG2-CD1 4.22Å; V72-I76 PolarHBondContact O-N 3.19Å; I76-L79 PolarHBondContact O-N 3.07Å; I76-W80 HydrophobicContact CG2-CD2 4.43Å; I76-W80 PolarHBondContact O-N 3.06Å
77I97.9Very high97.6Very high74 Ų7494.1 Ų94.138%0.37947%0.471SS..Hα-helixtrans-61-52.8-178.6-72.9171.6000111.1V72 L79 W80 F81V72-I77 HydrophobicContact CG1-CD1 4.16Å; V72-I77 HydrophobicContact CG1-CG1 4.46Å; V72-I77 WeakPolarHBondContact O-CB 3.34Å; V72-I77 WeakPolarHBondContact O-CG1 3.45Å; V72-I77 PolarHBondContact O-N 3.25Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-W80 PolarHBondContact O-N 3.41Å; I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.47Å; I77-F81 VanDerWaalsContact CG2-CE2 3.47Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-F81 PolarHBondContact O-N 2.98Å
78P98.3Very high97.6Very high50 Ų5096.2 Ų96.233%0.32547%0.469SS..Hα-helixtrans-60.1-41176.1-27.137000113.3S73 W80 F81 I82S73-P78 VanDerWaalsContact O-CD 3.32Å; S73-P78 WeakPolarHBondContact O-CD 3.38Å; P78-W80 VanDerWaalsContact C-N 3.33Å; P78-W80 PolarHBondContact O-N 3.3Å; P78-F81 PolarHBondContact O-N 3.47Å; P78-I82 VanDerWaalsContact O-CG1 3.3Å; P78-I82 WeakPolarHBondContact O-CG1 3.49Å; P78-I82 PolarHBondContact O-N 3.39Å
79L98.3Very high97.5Very high107 Ų10797.3 Ų97.356%0.5647%0.467SS*.Hα-helixtrans-58.4-45.1177.117969.8000111.4V75 I76 I77 I82 H83V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 2.87Å; I76-L79 PolarHBondContact O-N 3.07Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-H83 VanDerWaalsContact O-CB 3.25Å; L79-H83 WeakPolarHBondContact O-CB 3.37Å; L79-H83 PolarHBondContact O-N 2.9Å
80W98.3Very high97.5Very high185 Ų18594.8 Ų94.870%0.70145%0.454SS*.Hα-helixtrans-62.6-43.7175.9-85.25.4000112.5I76 I77 P78 H83 Y84I76-W80 HydrophobicContact CG2-CD2 4.43Å; I76-W80 PolarHBondContact O-N 3.06Å; I77-W80 PolarHBondContact O-N 3.41Å; P78-W80 VanDerWaalsContact C-N 3.33Å; P78-W80 PolarHBondContact O-N 3.3Å; W80-H83 PolarHBondContact O-N 3.43Å; W80-Y84 VanDerWaalsContact O-CB 3.3Å; W80-Y84 WeakPolarHBondContact O-CB 3.49Å; W80-Y84 PolarHBondContact O-N 2.85Å
81F98.1Very high97.4Very high147 Ų14792.1 Ų92.165%0.64545%0.454SS*.Hα-helixtrans-62.2-45.7176.5-81.4-65.4000112.3I77 P78 Y84 Y85I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.47Å; I77-F81 VanDerWaalsContact CG2-CE2 3.47Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-F81 PolarHBondContact O-N 2.98Å; P78-F81 PolarHBondContact O-N 3.47Å; F81-Y84 PolarHBondContact O-N 3.25Å; F81-Y85 WeakPolarHBondContact O-CB 3.36Å; F81-Y85 PolarHBondContact O-N 3.44Å
82I98.1Very high97.2Very high107 Ų10796.4 Ų96.455%0.54947%0.467SS..Hα-helixtrans-63-47.4177.4-67.6166.1000110P78 L79 Y84 Y85 V86P78-I82 VanDerWaalsContact O-CG1 3.3Å; P78-I82 WeakPolarHBondContact O-CG1 3.49Å; P78-I82 PolarHBondContact O-N 3.39Å; L79-I82 PolarHBondContact O-N 3.43Å; I82-Y84 VanDerWaalsContact C-N 3.33Å; I82-Y84 PolarHBondContact O-N 3.27Å; I82-Y85 PolarHBondContact O-N 2.91Å; I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 2.88Å
83H97.9Very high97Very high116 Ų11699.9 Ų99.954%0.53748%0.477SS..Hα-helixtrans-59.1-45.1178.6179.772.1000111.6L79 W80 Y85 V86 K87L79-H83 VanDerWaalsContact O-CB 3.25Å; L79-H83 WeakPolarHBondContact O-CB 3.37Å; L79-H83 PolarHBondContact O-N 2.9Å; W80-H83 PolarHBondContact O-N 3.43Å; H83-Y85 PolarHBondContact O-N 3.34Å; H83-V86 PolarHBondContact O-N 3.07Å; H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.45Å; H83-K87 PolarHBondContact O-N 3.45Å
84Y98.3Very high96.9Very high130 Ų130102.7 Ų102.751%0.5149%0.494SS..Hα-helixtrans-60.2-45.4175.6178.6-92.8000111.9W80 F81 I82 K87 Y88W80-Y84 VanDerWaalsContact O-CB 3.3Å; W80-Y84 WeakPolarHBondContact O-CB 3.49Å; W80-Y84 PolarHBondContact O-N 2.85Å; F81-Y84 PolarHBondContact O-N 3.25Å; I82-Y84 VanDerWaalsContact C-N 3.33Å; I82-Y84 PolarHBondContact O-N 3.27Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y84-Y88 AromaticContact CD2-CD2 3.45Å; Y84-Y88 HydrophobicContact CD2-CD2 3.45Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-Y88 AromaticContact CD2-CE2 3.67Å; Y84-Y88 HydrophobicContact CD2-CE2 3.67Å; Y84-Y88 AromaticContact CE2-CD2 3.34Å; Y84-Y88 HydrophobicContact CE2-CD2 3.34Å; Y84-Y88 AromaticContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CG 4.25Å; Y84-Y88 HydrophobicContact CG-CD2 4.1Å; Y84-Y88 AromaticContact CZ-CD2 3.91Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.42Å; Y84-Y88 PolarHBondContact O-N 2.83Å
85Y97.6Very high96.7Very high131 Ų131107.1 Ų107.151%0.51451%0.507SS..Hα-helixtrans-61.1-49177.8179.9-100.7000111.7F81 I82 H83 K87 Y88 H89 V90F81-Y85 WeakPolarHBondContact O-CB 3.36Å; F81-Y85 PolarHBondContact O-N 3.44Å; I82-Y85 PolarHBondContact O-N 2.91Å; H83-Y85 PolarHBondContact O-N 3.34Å; Y85-K87 PolarHBondContact O-N 3.26Å; Y85-Y88 PolarHBondContact O-N 3.41Å; Y85-H89 HydrophobicContact CD2-CB 3.9Å; Y85-H89 AromaticContact CD2-CG 3.84Å; Y85-H89 AromaticContact CD2-ND1 3.9Å; Y85-H89 HydrophobicContact CE2-CB 3.78Å; Y85-H89 AromaticContact CE2-CG 3.95Å; Y85-H89 HydrophobicContact CG-CB 4.47Å; Y85-H89 WeakPolarHBondContact O-CA 3.35Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.33Å; Y85-H89 PolarHBondContact O-N 2.94Å; Y85-V90 HydrophobicContact CD1-CG2 3.72Å; Y85-V90 HydrophobicContact CE1-CG2 3.39Å; Y85-V90 PolarHBondContact O-N 3.44Å
86V97.6Very high96.5Very high56 Ų56106 Ų10634%0.33951%0.505SS..Iπ-helixtrans-58.8-48.1177.6172.80000110.5I82 H83 V90 A91 I97I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 2.88Å; H83-V86 PolarHBondContact O-N 3.07Å; V86-V90 PolarHBondContact O-N 3.47Å; V86-A91 WeakPolarHBondContact O-CB 3.5Å; V86-A91 PolarHBondContact O-N 3.28Å; V86-I97 HydrophobicContact CG1-CD1 3.69Å
87K96.9Very high96.1Very high110 Ų110107.1 Ų107.148%0.47851%0.511SS..Iπ-helixtrans-62.5-45.3-177.8-176.4175.2-179.5-176.50113.2H83 Y84 Y85H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.45Å; H83-K87 PolarHBondContact O-N 3.45Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y85-K87 PolarHBondContact O-N 3.26Å
88Y97Very high95.9Very high96 Ų96109 Ų10938%0.37653%0.526SS..Iπ-helixtrans-104.2-14-169.6-68.3-72.5000115.3Y84 Y85 K92Y84-Y88 AromaticContact CD2-CD2 3.45Å; Y84-Y88 HydrophobicContact CD2-CD2 3.45Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-Y88 AromaticContact CD2-CE2 3.67Å; Y84-Y88 HydrophobicContact CD2-CE2 3.67Å; Y84-Y88 AromaticContact CE2-CD2 3.34Å; Y84-Y88 HydrophobicContact CE2-CD2 3.34Å; Y84-Y88 AromaticContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CG 4.25Å; Y84-Y88 HydrophobicContact CG-CD2 4.1Å; Y84-Y88 AromaticContact CZ-CD2 3.91Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.42Å; Y84-Y88 PolarHBondContact O-N 2.83Å; Y85-Y88 PolarHBondContact O-N 3.41Å; Y88-K92 WeakPolarHBondContact O-CD 3.47Å; Y88-K92 VanDerWaalsContact O-CE 3.28Å; Y88-K92 WeakPolarHBondContact O-CE 3.34Å; Y88-K92 WeakPolarHBondContact O-CG 3.45Å
89H95Very high95.7Very high90 Ų90113.2 Ų113.242%0.41755%0.546SS..Iπ-helixtrans-117.7-48.3-178.6-60.475.7000112.2Y85Y85-H89 HydrophobicContact CD2-CB 3.9Å; Y85-H89 AromaticContact CD2-CG 3.84Å; Y85-H89 AromaticContact CD2-ND1 3.9Å; Y85-H89 HydrophobicContact CE2-CB 3.78Å; Y85-H89 AromaticContact CE2-CG 3.95Å; Y85-H89 HydrophobicContact CG-CB 4.47Å; Y85-H89 WeakPolarHBondContact O-CA 3.35Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.33Å; Y85-H89 PolarHBondContact O-N 2.94Å
90V95.4Very high95.5Very high31 Ų31113.9 Ų113.919%0.18856%0.555CS.*Iπ-helixtrans-77.2-53.2-176.9-170.10000110.2Y85 V86 K92 K93 A96 I97Y85-V90 HydrophobicContact CD1-CG2 3.72Å; Y85-V90 HydrophobicContact CE1-CG2 3.39Å; Y85-V90 PolarHBondContact O-N 3.44Å; V86-V90 PolarHBondContact O-N 3.47Å; V90-K92 PolarHBondContact O-N 3.16Å; V90-K92 VanDerWaalsContact O-N 3.11Å; V90-K93 PolarHBondContact O-N 3.48Å; V90-A96 HydrophobicContact CG1-CB 3.75Å; V90-A96 VanDerWaalsContact O-CB 3.31Å; V90-A96 WeakPolarHBondContact O-CB 3.47Å; V90-I97 HydrophobicContact CB-CD1 4.29Å; V90-I97 HydrophobicContact CB-CG1 4.36Å; V90-I97 HydrophobicContact CG1-CD1 4.01Å; V90-I97 HydrophobicContact CG1-CG1 3.56Å
91A94.6Very high95.2Very high62 Ų62114.4 Ų114.451%0.51256%0.562SS.*THydrogen-bonded Turntrans-65-20.1-176.200000114V86 K93 I97V86-A91 WeakPolarHBondContact O-CB 3.5Å; V86-A91 PolarHBondContact O-N 3.28Å; A91-K93 VanDerWaalsContact C-N 3.29Å; A91-I97 HydrophobicContact CB-CD1 3.88Å
92K94.6Very high95Very high155 Ų155112.6 Ų112.667%0.67457%0.565SS**THydrogen-bonded Turntrans-74.6-18.4174-70.2-165.3-173.1173.30113.4Y88 V90Y88-K92 WeakPolarHBondContact O-CD 3.47Å; Y88-K92 VanDerWaalsContact O-CE 3.28Å; Y88-K92 WeakPolarHBondContact O-CE 3.34Å; Y88-K92 WeakPolarHBondContact O-CG 3.45Å; V90-K92 PolarHBondContact O-N 3.16Å; V90-K92 VanDerWaalsContact O-N 3.11Å
93K94.5Very high94.7Very high137 Ų137116.2 Ų116.260%0.59658%0.577SS**SBendtrans-90.9128.9178.9-67.8180-178.5-174.90108.9V90 A91 Y95 A96V90-K93 PolarHBondContact O-N 3.48Å; A91-K93 VanDerWaalsContact C-N 3.29Å; K93-Y95 PolarHBondContact O-N 3.37Å; K93-A96 HydrophobicContact CB-CB 3.69Å; K93-A96 WeakPolarHBondContact O-CB 3.46Å; K93-A96 PolarHBondContact O-N 3.21Å
94P94.7Very high94.4Very high113 Ų113115.6 Ų115.673%0.73458%0.576SS**THydrogen-bonded Turntrans-61138.2178.726.9-34.1000110A96P94-A96 PolarHBondContact O-N 3.37Å
95Y91.9Very high94.1Very high212 Ų212115.2 Ų115.283%0.83158%0.577SS**THydrogen-bonded Turntrans58.213-179-52.6-71.7000116.3K93 I97 V98K93-Y95 PolarHBondContact O-N 3.37Å; Y95-I97 VanDerWaalsContact C-N 3.32Å; Y95-V98 HydrophobicContact CD1-CG2 4.38Å
96A92.2Very high93.8Very high49 Ų49111.6 Ų111.641%0.40557%0.57SS.*SBendtrans-75.7-24.4174.700000112.7V90 K93 P94V90-A96 HydrophobicContact CG1-CB 3.75Å; V90-A96 VanDerWaalsContact O-CB 3.31Å; V90-A96 WeakPolarHBondContact O-CB 3.47Å; K93-A96 HydrophobicContact CB-CB 3.69Å; K93-A96 WeakPolarHBondContact O-CB 3.46Å; K93-A96 PolarHBondContact O-N 3.21Å; P94-A96 PolarHBondContact O-N 3.37Å
97I91.6Very high93.3Very high91 Ų91111 Ų11147%0.46758%0.575SS.*SBendtrans-123.8115.3168.7-49.3179.3000106.3V86 V90 A91 Y95V86-I97 HydrophobicContact CG1-CD1 3.69Å; V90-I97 HydrophobicContact CB-CD1 4.29Å; V90-I97 HydrophobicContact CB-CG1 4.36Å; V90-I97 HydrophobicContact CG1-CD1 4.01Å; V90-I97 HydrophobicContact CG1-CG1 3.56Å; A91-I97 HydrophobicContact CB-CD1 3.88Å; Y95-I97 VanDerWaalsContact C-N 3.32Å
98V93.9Very high93.1Very high115 Ų115109 Ų10970%0.69757%0.57SS**  trans-119117.5175.1178.10000106.8Y95Y95-V98 HydrophobicContact CD1-CG2 4.38Å
99D92.7Very high92.7Very high138 Ų138108.3 Ų108.374%0.73858%0.576SS**  trans-108.3150.6177.9-1601.3000110.4
100T94.9Very high92.4Very high121 Ų121106.5 Ų106.574%0.74257%0.568SS**PPolyproline II helixtrans-73135.1170.451.50000109.3
101K92.8Very high92.2Very high196 Ų196113.4 Ų113.485%0.85260%0.603SS**PPolyproline II helixtrans-58.2140.7176-63.3-177.8-179.2-177.10110
102P92.2Very high92Very high109 Ų109119.6 Ų119.671%0.70862%0.622SS**PPolyproline II helixtrans-60.3149.4178.925.6-33.8000110.7
103K91.8Very high91.7Very high183 Ų183116.3 Ų116.380%0.79661%0.614SS**PPolyproline II helixtrans-68.9142.1172.5-69.8178.9180177.30109F105K103-F105 HydrophobicContact CB-CE2 4.07Å; K103-F105 HydrophobicContact CB-CZ 4.28Å
104I91.4Very high91.4Very high103 Ų103112.1 Ų112.153%0.52861%0.611SS.*  trans-124.1129.3-173.7-69.5-178.2000107.7I117I104-I117 HydrophobicContact CB-CD1 4.32Å; I104-I117 HydrophobicContact CG2-CD1 2.82Å; I104-I117 HydrophobicContact CG2-CG1 4.31Å
105F91.9Very high91.1Very high121 Ų121112.5 Ų112.553%0.53160%0.603SS.*  trans-116.2154.9-179.1-63.4-78.5000112.9K103 G107 D108K103-F105 HydrophobicContact CB-CE2 4.07Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; F105-G107 PolarHBondContact O-N 3.27Å; F105-D108 WeakPolarHBondContact CA-OD2 3.47Å; F105-D108 WeakPolarHBondContact CB-OD2 3.22Å; F105-D108 PolarHBondContact N-OD2 3.21Å; F105-D108 VanDerWaalsContact O-CB 3.29Å; F105-D108 WeakPolarHBondContact O-CB 3.33Å; F105-D108 PolarHBondContact O-N 2.97Å; F105-D108 VanDerWaalsContact O-N 3.08Å
106P92.1Very high91Very high56 Ų56107.1 Ų107.136%0.36459%0.591SS.*THydrogen-bonded Turntrans-55.8127.6171.5-28.539.8000111.8P118 M120P106-P118 WeakPolarHBondContact CB-O 3.49Å; P106-M120 HydrophobicContact CB-CG 3.76Å; P106-M120 HydrophobicContact CG-CE 4.29Å; P106-M120 HydrophobicContact CG-CG 3.5Å; P106-M120 VanDerWaalsContact CG-CG 3.5Å; P106-M120 HydrophobicContact CG-SD 4.14Å
107G86.6Confident90.9Very high43 Ų43106.4 Ų106.444%0.44358%0.581SS.*THydrogen-bonded Turntrans92.8-9-174.500000115.3F105 I117F105-G107 PolarHBondContact O-N 3.27Å; G107-I117 WeakPolarHBondContact CA-O 3.34Å; G107-I117 PolarHBondContact N-O 2.98Å
108D92.4Very high90.8Very high69 Ų69106.9 Ų106.937%0.36959%0.59SS.*  trans-71.1149.8174.9-70.9-17.9000111.5F105 V116 I117F105-D108 WeakPolarHBondContact CA-OD2 3.47Å; F105-D108 WeakPolarHBondContact CB-OD2 3.22Å; F105-D108 PolarHBondContact N-OD2 3.21Å; F105-D108 VanDerWaalsContact O-CB 3.29Å; F105-D108 WeakPolarHBondContact O-CB 3.33Å; F105-D108 PolarHBondContact O-N 2.97Å; F105-D108 VanDerWaalsContact O-N 3.08Å; D108-V116 WeakPolarHBondContact O-CA 3.2Å; D108-I117 HydrophobicContact CB-CD1 4.49Å; D108-I117 WeakPolarHBondContact O-CG1 3.43Å; D108-I117 PolarHBondContact O-N 3.24Å
109T89.6Confident90.5Very high81 Ų81106.5 Ų106.550%0.49759%0.589SS.*BIsolated β-bridgetrans-105.7123172.5-48.60000109.9L111 E115 V116T109-L111 PolarHBondContact O-N 2.96Å; T109-E115 WeakPolarHBondContact CA-O 3.07Å; T109-V116 HydrophobicContact CG2-CG2 4.15Å
110I89.6Confident90.2Very high52 Ų52105.7 Ų105.727%0.26758%0.583SS.*  trans-72.1115.9176.1-57.8176.1000108.5E112 T113 G114 E115 I117I110-E112 HydrophobicContact CG2-CB 4.5Å; I110-E112 PolarHBondContact O-N 3.2Å; I110-T113 PolarHBondContact O-N 3.38Å; I110-G114 VanDerWaalsContact O-CA 3.31Å; I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.07Å; I110-E115 PolarHBondContact N-O 2.81Å; I110-I117 HydrophobicContact CG1-CD1 4.41Å
111L89.7Confident89.7Confident176 Ų176108.8 Ų108.892%0.92159%0.586SS**THydrogen-bonded Turntrans-60.3-32.7-176.4-66.2175.9000113.7T109T109-L111 PolarHBondContact O-N 2.96Å
112E90.3Very high89.3Confident192 Ų192107.3 Ų107.390%0.89759%0.587SS**THydrogen-bonded Turntrans-81-30.5-177.3-61.4-178.2175.300113I110I110-E112 HydrophobicContact CG2-CB 4.5Å; I110-E112 PolarHBondContact O-N 3.2Å
113T89.3Confident88.9Confident85 Ų85109.8 Ų109.852%0.52159%0.587SS.*THydrogen-bonded Turntrans-108.9-20.3-173.6-35.50000112.6I110 E115I110-T113 PolarHBondContact O-N 3.38Å; T113-E115 HydrophobicContact CG2-CB 4.48Å; T113-E115 HydrophobicContact CG2-CG 3.74Å; T113-E115 PolarHBondContact O-N 3.36Å
114G88.1Confident88.4Confident50 Ų50106.2 Ų106.252%0.51558%0.583SS.*  trans71.51.5-172.700000114.4I110 V116I110-G114 VanDerWaalsContact O-CA 3.31Å; I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.07Å; G114-V116 PolarHBondContact O-N 3.49Å
115E87.5Confident87.8Confident121 Ų121107.6 Ų107.657%0.56559%0.591SS**PPolyproline II helixtrans-72.2127.9-179.1-72-179.9-179.200110.8T109 I110 T113T109-E115 WeakPolarHBondContact CA-O 3.07Å; I110-E115 PolarHBondContact N-O 2.81Å; T113-E115 HydrophobicContact CG2-CB 4.48Å; T113-E115 HydrophobicContact CG2-CG 3.74Å; T113-E115 PolarHBondContact O-N 3.36Å
116V90.1Very high87.2Confident98 Ų98110 Ų11059%0.59460%0.604SS**BIsolated β-bridgetrans-90.6128.1173.1-1770000108.3D108 T109 G114D108-V116 WeakPolarHBondContact O-CA 3.2Å; T109-V116 HydrophobicContact CG2-CG2 4.15Å; G114-V116 PolarHBondContact O-N 3.49Å
117I89.8Confident86.1Confident35 Ų35115.4 Ų115.418%0.17962%0.624CS.*PPolyproline II helixtrans-78131.5-176.3-63.1-176.7000109.1I104 G107 D108 I110I104-I117 HydrophobicContact CB-CD1 4.32Å; I104-I117 HydrophobicContact CG2-CD1 2.82Å; I104-I117 HydrophobicContact CG2-CG1 4.31Å; G107-I117 WeakPolarHBondContact CA-O 3.34Å; G107-I117 PolarHBondContact N-O 2.98Å; D108-I117 HydrophobicContact CB-CD1 4.49Å; D108-I117 WeakPolarHBondContact O-CG1 3.43Å; D108-I117 PolarHBondContact O-N 3.24Å; I110-I117 HydrophobicContact CG1-CD1 4.41Å
118P89.3Confident84.4Confident101 Ų101125.8 Ų125.866%0.65666%0.66SS**PPolyproline II helixtrans-57.4137-176.522.1-33.1000110.4P106P106-P118 WeakPolarHBondContact CB-O 3.49Å
119P88.2Confident84Confident107 Ų107128.6 Ų128.670%0.69568%0.675SS**PPolyproline II helixtrans-62.6156.8176.327.7-34.2000110.3
120M87.1Confident83.7Confident121 Ų121131.1 Ų131.160%0.59668%0.684SS**PPolyproline II helixtrans-62.1149.2172.3-67.3-172.4-87.600109.8P106 F123P106-M120 HydrophobicContact CB-CG 3.76Å; P106-M120 HydrophobicContact CG-CE 4.29Å; P106-M120 HydrophobicContact CG-CG 3.5Å; P106-M120 VanDerWaalsContact CG-CG 3.5Å; P106-M120 HydrophobicContact CG-SD 4.14Å; M120-F123 HydrophobicContact CB-CE2 4.18Å; M120-F123 HydrophobicContact SD-CE2 4.32Å; M120-F123 HydrophobicContact SD-CZ 4.47Å
121K85.1Confident83.4Confident186 Ų186135.5 Ų135.581%0.80971%0.708SS**PPolyproline II helixtrans-61.3143.7171.1-67.1-175.9178.2-179.70109.3F123K121-F123 PolarHBondContact O-N 3.27Å
122D83.6Confident83.1Confident164 Ų164133.1 Ų133.188%0.87770%0.695SS**PPolyproline II helixtrans-56.3129.1176.6-60.4-41.7000110.2
123F83.5Confident82.6Confident161 Ų161129.4 Ų129.471%0.70668%0.682SS**PPolyproline II helixtrans-87.4136.2174.8-65.4-81.1000108.8M120 K121 D125M120-F123 HydrophobicContact CB-CE2 4.18Å; M120-F123 HydrophobicContact SD-CE2 4.32Å; M120-F123 HydrophobicContact SD-CZ 4.47Å; K121-F123 PolarHBondContact O-N 3.27Å; F123-D125 PolarHBondContact O-N 3.24Å
124P81.8Confident82.2Confident109 Ų109132.4 Ų132.471%0.70869%0.693SS**  trans-66.2106.8172.826.4-31000108.7Q126P124-Q126 PolarHBondContact O-N 3.08Å
125D79Confident81.7Confident131 Ų131138.3 Ų138.370%0.70171%0.706SS**  trans-71.3119.6178.2-160.80.1000109.3F123 H127F123-D125 PolarHBondContact O-N 3.24Å; D125-H127 PolarHBondContact OD1-N 2.69Å
126Q79.1Confident81.3Confident173 Ų173139.6 Ų139.681%0.80872%0.717SS**  trans-99.72-179.1-66.8-174.8-4.200112.3P124P124-Q126 PolarHBondContact O-N 3.08Å
127H68.1Low80.6Confident169 Ų169143.1 Ų143.178%0.78273%0.727SS**  trans-94.8104.8177.3-82.5-70.9000111D125D125-H127 PolarHBondContact OD1-N 2.69Å
128H52.3Low79.7Confident260 Ų260152.9 Ų152.9100%1.20478%0.776SS**  trans-91.40161.6-74-61000110.8

Retrieved 128 of 128 residues in 23.6 ms (Link to these results)