A0A087XUU7_POEFO Loading...

Dolichol-phosphate mannosyltransferase subunit 3

Stabilizer subunit of the dolichol-phosphate mannose (DPM) synthase complex; tethers catalytic subunit to the ER.

AlphaFold DB , UniProt , Accession A0A087XUU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 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
1A47.9Very low49.3Very low149 Ų149128.4 Ų128.4100%1.23168%0.684SS**  059.8000000111.8
2H47Very low49.7Very low181 Ų181128.9 Ų128.984%0.83869%0.686SS**  trans-143.14.9-179.9-103.8-79000115.4
3L43.8Very low50.1Low150 Ų150129.9 Ų129.979%0.78568%0.681SS**SBendtrans-110.29.4-175.3-131.779.5000114.6
4W40.3Very low50.5Low204 Ų204126.4 Ų126.477%0.77367%0.667SS**SBendtrans-84.8-27.1-179.4-160.6-94.4000116.2T6 Q7W4-T6 VanDerWaalsContact C-N 3.34Å; W4-T6 PolarHBondContact O-N 3.27Å; W4-Q7 PolarHBondContact O-N 2.95Å
5P51.5Low50.7Low88 Ų88122.2 Ų122.257%0.57166%0.657SS**Hα-helixtrans-76-18.7-171.529.3-32.9000114.1
6T52.1Low51Low92 Ų92124.7 Ų124.756%0.56466%0.664SS**Hα-helixtrans-82-34.3176.939.20000112.6W4 K9 L10W4-T6 VanDerWaalsContact C-N 3.34Å; W4-T6 PolarHBondContact O-N 3.27Å; T6-K9 PolarHBondContact O-N 3.49Å; T6-L10 PolarHBondContact O-N 3.29Å
7Q49.6Very low51.2Low105 Ų105120.1 Ų120.149%0.49164%0.638SS.*Hα-helixtrans-70.4-37.1179.8-69.2-7110.500112.7W4 L10 L11W4-Q7 PolarHBondContact O-N 2.95Å; Q7-L10 PolarHBondContact O-N 2.86Å; Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.32Å
8C45.9Very low51.5Low61 Ų61118.3 Ų118.341%0.41264%0.637SS.*Hα-helixtrans-66.8-34.3173.7-88.10000113.2L11 L12C8-L11 PolarHBondContact O-N 3.13Å; C8-L12 PolarHBondContact O-N 2.8Å
9K54.2Low51.6Low165 Ų165119.3 Ų119.372%0.71764%0.641SS**Hα-helixtrans-68-38.7173-78.7179.8176.5179.90111.6T6 L12 F13T6-K9 PolarHBondContact O-N 3.49Å; K9-L12 PolarHBondContact O-N 3.38Å; K9-F13 WeakPolarHBondContact O-CB 3.36Å; K9-F13 PolarHBondContact O-N 3.41Å
10L55.8Low51.7Low101 Ų101119 Ų11953%0.52964%0.636SS.*Hα-helixtrans-65.9-40.6175.7-163.971000111.5T6 Q7 F13 V14T6-L10 PolarHBondContact O-N 3.29Å; Q7-L10 PolarHBondContact O-N 2.86Å; L10-F13 WeakPolarHBondContact O-CB 3.37Å; L10-F13 PolarHBondContact O-N 3.06Å; L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.36Å
11L54.1Low52.4Low116 Ų116117.8 Ų117.861%0.60763%0.634SS**Hα-helixtrans-67.6-38.3176.1-86.3155.9000113.2Q7 C8 F13 V14 A15Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.32Å; C8-L11 PolarHBondContact O-N 3.13Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-V14 PolarHBondContact O-N 3.11Å; L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 3.31Å
12L54.5Low53.3Low135 Ų135117.7 Ų117.771%0.70761%0.606SS**Hα-helixtrans-66.5-36.9172.6-113.8115.1000111.8C8 K9 A15 E16C8-L12 PolarHBondContact O-N 2.8Å; K9-L12 PolarHBondContact O-N 3.38Å; L12-A15 PolarHBondContact O-N 3.43Å; L12-E16 PolarHBondContact O-N 2.93Å
13F54.8Low54.5Low142 Ų142114.3 Ų114.362%0.62359%0.593SS**Hα-helixtrans-66.8-39.9175.1-157.2-97.4000111.8K9 L10 L11 A15 I17K9-F13 WeakPolarHBondContact O-CB 3.36Å; K9-F13 PolarHBondContact O-N 3.41Å; L10-F13 WeakPolarHBondContact O-CB 3.37Å; L10-F13 PolarHBondContact O-N 3.06Å; L11-F13 VanDerWaalsContact C-N 3.34Å; F13-A15 VanDerWaalsContact C-N 3.34Å; F13-I17 HydrophobicContact CD1-CD1 3.77Å; F13-I17 HydrophobicContact CE1-CD1 4.04Å; F13-I17 WeakPolarHBondContact O-CD1 3.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 2.91Å
14V56.1Low56.1Low81 Ų81108.9 Ų108.949%0.49157%0.565SS.*Hα-helixtrans-69.2-28.8175.6171.70000112.4L10 L11 I17L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.36Å; L11-V14 PolarHBondContact O-N 3.11Å; V14-I17 WeakPolarHBondContact O-CB 3.26Å
15A53.1Low58Low63 Ų63105.2 Ų105.252%0.52156%0.556SS.*Hα-helixtrans-74.8-38175.900000113.1L11 L12 F13 I17 S18L11-A15 WeakPolarHBondContact O-CB 3.31Å; L11-A15 PolarHBondContact O-N 3.31Å; L12-A15 PolarHBondContact O-N 3.43Å; F13-A15 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3.17Å; A15-S18 PolarHBondContact O-N 3.36Å
16E55.6Low59.3Low162 Ų162110 Ų11076%0.75756%0.563SS**Hα-helixtrans-62.3-34.3171.3-99.5-138.588.300112.3L12 S18L12-E16 PolarHBondContact O-N 2.93Å; E16-S18 VanDerWaalsContact C-N 3.25Å; E16-S18 PolarHBondContact O-N 3.33Å
17I54.1Low60.7Low46 Ų46111.2 Ų111.224%0.23657%0.565CS.*Hα-helixtrans-61.2-30.2177.7-80.9171.5000112F13 V14 A15 I19 L24F13-I17 HydrophobicContact CD1-CD1 3.77Å; F13-I17 HydrophobicContact CE1-CD1 4.04Å; F13-I17 WeakPolarHBondContact O-CD1 3.41Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 2.91Å; V14-I17 WeakPolarHBondContact O-CB 3.26Å; A15-I17 PolarHBondContact O-N 3.17Å; I17-I19 PolarHBondContact O-N 2.97Å; I17-L24 HydrophobicContact CB-CD1 3.96Å; I17-L24 HydrophobicContact CB-CD2 4.43Å; I17-L24 HydrophobicContact CD1-CD1 4.47Å; I17-L24 HydrophobicContact CG1-CD1 3.73Å; I17-L24 HydrophobicContact CG2-CD1 3.59Å; I17-L24 HydrophobicContact CG2-CD2 3.38Å; I17-L24 HydrophobicContact CG2-CG 4.04Å; I17-L24 WeakPolarHBondContact O-CD2 3.49Å
18S56.2Low62.2Low88 Ų88112 Ų11262%0.61557%0.567SS**THydrogen-bonded Turntrans-74.9-13-167.9-166.30000116.5A15 E16A15-S18 PolarHBondContact O-N 3.36Å; E16-S18 VanDerWaalsContact C-N 3.25Å; E16-S18 PolarHBondContact O-N 3.33Å
19I54.3Low64Low138 Ų138111.1 Ų111.171%0.70857%0.569SS**THydrogen-bonded Turntrans-92.2-21.2-170.7-69.1176.1000113.8I17I17-I19 PolarHBondContact O-N 2.97Å
20M52.5Low65.3Low112 Ų112107.9 Ų107.955%0.55256%0.563SS**  trans-127.954.8-169.7-67.5-88.395.400112.5K22 L23 L24M20-K22 PolarHBondContact O-N 2.96Å; M20-L23 HydrophobicContact CB-CB 4.28Å; M20-L23 HydrophobicContact CB-CD1 4.34Å; M20-L23 HydrophobicContact CG-CD1 4.47Å; M20-L23 PolarHBondContact O-N 2.94Å; M20-L23 HydrophobicContact SD-CD1 3.95Å; M20-L24 WeakPolarHBondContact O-CB 3.43Å; M20-L24 PolarHBondContact O-N 3.45Å
21T67.8Low66.5Low95 Ų95106.7 Ų106.758%0.58356%0.562SS**Hα-helixtrans-52.3-29.8-170.454.80000115.6Q25T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 3.39Å
22K66.4Low67.9Low147 Ų147107 Ų10764%0.63956%0.564SS**Hα-helixtrans-71.4-51.8174.5-68.9-68.4-177.4176.50112.6M20 L24 Q25 W26M20-K22 PolarHBondContact O-N 2.96Å; K22-L24 PolarHBondContact O-N 2.89Å; K22-Q25 WeakPolarHBondContact O-CB 3.42Å; K22-Q25 PolarHBondContact O-N 2.93Å; K22-W26 PolarHBondContact O-N 3.49Å; K22-W26 VanDerWaalsContact O-N 3.12Å
23L71.6Confident69.2Low110 Ų110106.7 Ų106.758%0.57656%0.563SS**Hα-helixtrans-62.3-39.8176.9-67.9175.6000110.6M20 W26 L27M20-L23 HydrophobicContact CB-CB 4.28Å; M20-L23 HydrophobicContact CB-CD1 4.34Å; M20-L23 HydrophobicContact CG-CD1 4.47Å; M20-L23 PolarHBondContact O-N 2.94Å; M20-L23 HydrophobicContact SD-CD1 3.95Å; L23-W26 PolarHBondContact O-N 3.38Å; L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 2.98Å
24L77.8Confident70.4Confident36 Ų36101.6 Ų101.619%0.18855%0.55CS..Hα-helixtrans-63-42.3175.5-173.276000112.3I17 M20 K22 W26 L27 F28I17-L24 HydrophobicContact CB-CD1 3.96Å; I17-L24 HydrophobicContact CB-CD2 4.43Å; I17-L24 HydrophobicContact CD1-CD1 4.47Å; I17-L24 HydrophobicContact CG1-CD1 3.73Å; I17-L24 HydrophobicContact CG2-CD1 3.59Å; I17-L24 HydrophobicContact CG2-CD2 3.38Å; I17-L24 HydrophobicContact CG2-CG 4.04Å; I17-L24 WeakPolarHBondContact O-CD2 3.49Å; M20-L24 WeakPolarHBondContact O-CB 3.43Å; M20-L24 PolarHBondContact O-N 3.45Å; K22-L24 PolarHBondContact O-N 2.89Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.2Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-F28 HydrophobicContact CD1-CD2 4.08Å; L24-F28 HydrophobicContact CD1-CE2 3.62Å; L24-F28 HydrophobicContact CD1-CZ 4.35Å; L24-F28 HydrophobicContact CD2-CD2 4.21Å; L24-F28 HydrophobicContact CD2-CE2 3.7Å; L24-F28 HydrophobicContact CG-CD2 3.64Å; L24-F28 HydrophobicContact CG-CE2 3.43Å; L24-F28 VanDerWaalsContact CG-CE2 3.43Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 3.11Å
25Q79.8Confident71.4Confident126 Ų12699.9 Ų99.959%0.58954%0.544SS*.Hα-helixtrans-59.8-44.1175.4179.6-176.9-14.100111.3T21 K22 G29T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 3.39Å; K22-Q25 WeakPolarHBondContact O-CB 3.42Å; K22-Q25 PolarHBondContact O-N 2.93Å; Q25-G29 PolarHBondContact O-N 3.33Å
26W80Confident72.7Confident189 Ų189100.8 Ų100.872%0.71654%0.543SS*.Hα-helixtrans-65.3-43.4174.6-75.3105.5000112.1K22 L23 L24 G29 V30K22-W26 PolarHBondContact O-N 3.49Å; K22-W26 VanDerWaalsContact O-N 3.12Å; L23-W26 PolarHBondContact O-N 3.38Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.2Å; W26-G29 PolarHBondContact O-N 3.29Å; W26-V30 WeakPolarHBondContact O-CG2 3.43Å; W26-V30 PolarHBondContact O-N 2.98Å
27L81.1Confident73.6Confident117 Ų11797.7 Ų97.761%0.61353%0.525SS*.Hα-helixtrans-60.2-44.5176.3-102.8154.6000112.2L23 L24 V30 S31L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 2.97Å; L27-V30 PolarHBondContact O-N 3.35Å; L27-S31 WeakPolarHBondContact O-CB 3.48Å; L27-S31 PolarHBondContact O-N 2.86Å
28F81.7Confident74.4Confident121 Ų12196.8 Ų96.853%0.53152%0.524SS..Hα-helixtrans-63.7-41.2175.1-84.3-62.3000111.8L24 S31 L32L24-F28 HydrophobicContact CD1-CD2 4.08Å; L24-F28 HydrophobicContact CD1-CE2 3.62Å; L24-F28 HydrophobicContact CD1-CZ 4.35Å; L24-F28 HydrophobicContact CD2-CD2 4.21Å; L24-F28 HydrophobicContact CD2-CE2 3.7Å; L24-F28 HydrophobicContact CG-CD2 3.64Å; L24-F28 HydrophobicContact CG-CE2 3.43Å; L24-F28 VanDerWaalsContact CG-CE2 3.43Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 3.11Å; F28-S31 PolarHBondContact O-N 3.48Å; F28-L32 VanDerWaalsContact O-CB 3.27Å; F28-L32 WeakPolarHBondContact O-CB 3.23Å; F28-L32 PolarHBondContact O-N 3.33Å
29G82.3Confident75.2Confident43 Ų4396.8 Ų96.844%0.44352%0.517SS..Hα-helixtrans-61.7-4917600000112.7Q25 W26 L32 L33Q25-G29 PolarHBondContact O-N 3.33Å; W26-G29 PolarHBondContact O-N 3.29Å; G29-L32 PolarHBondContact O-N 3.09Å; G29-L33 WeakPolarHBondContact O-CB 3.28Å; G29-L33 PolarHBondContact O-N 3.22Å
30V82.3Confident76Confident98 Ų9893.4 Ų93.459%0.59450%0.503SS*.Hα-helixtrans-65-41177.4172.90000111.1W26 L27 L33 G34W26-V30 WeakPolarHBondContact O-CG2 3.43Å; W26-V30 PolarHBondContact O-N 2.98Å; L27-V30 PolarHBondContact O-N 3.35Å; V30-L33 PolarHBondContact O-N 3.5Å; V30-G34 PolarHBondContact O-N 2.88Å
31S80.8Confident76.8Confident75 Ų7588.5 Ų88.552%0.52448%0.479SS..Hα-helixtrans-63.9-44.2177.5-178.30000111.7L27 F28 G34 A35L27-S31 WeakPolarHBondContact O-CB 3.48Å; L27-S31 PolarHBondContact O-N 2.86Å; F28-S31 PolarHBondContact O-N 3.48Å; S31-G34 PolarHBondContact O-N 3.24Å; S31-A35 VanDerWaalsContact O-CB 3.28Å; S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 2.96Å
32L82.4Confident76.8Confident122 Ų12291 Ų9164%0.63948%0.483SS*.Hα-helixtrans-65.1-43.6177.4-169.168.7000111.4F28 G29 A35 V36F28-L32 VanDerWaalsContact O-CB 3.27Å; F28-L32 WeakPolarHBondContact O-CB 3.23Å; F28-L32 PolarHBondContact O-N 3.33Å; G29-L32 PolarHBondContact O-N 3.09Å; L32-A35 PolarHBondContact O-N 3.3Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 2.98Å; L32-V36 PolarHBondContact O-N 3.17Å
33L82.1Confident76.6Confident130 Ų13086.2 Ų86.268%0.68146%0.464SS*.Hα-helixtrans-62.3-43.7175.1-172.872.8000111.6G29 V30 V36 W37G29-L33 WeakPolarHBondContact O-CB 3.28Å; G29-L33 PolarHBondContact O-N 3.22Å; V30-L33 PolarHBondContact O-N 3.5Å; L33-V36 PolarHBondContact O-N 3.3Å; L33-W37 PolarHBondContact O-N 3.02Å
34G80.9Confident75.7Confident34 Ų3486.7 Ų86.735%0.35147%0.467SS..Hα-helixtrans-64.2-38.8176.200000112.4V30 S31 W37 A38V30-G34 PolarHBondContact O-N 2.88Å; S31-G34 PolarHBondContact O-N 3.24Å; G34-W37 PolarHBondContact O-N 3.43Å; G34-A38 VanDerWaalsContact O-CB 3.26Å; G34-A38 WeakPolarHBondContact O-CB 3.18Å; G34-A38 PolarHBondContact O-N 3.29Å
35A77.2Confident74.7Confident46 Ų4691.1 Ų91.138%0.3849%0.49SS..Hα-helixtrans-66.4-43.7175.100000111.7S31 L32 W37 A38 L39S31-A35 VanDerWaalsContact O-CB 3.28Å; S31-A35 WeakPolarHBondContact O-CB 3.37Å; S31-A35 PolarHBondContact O-N 2.96Å; L32-A35 PolarHBondContact O-N 3.3Å; A35-W37 VanDerWaalsContact C-N 3.34Å; A35-W37 PolarHBondContact O-N 3.33Å; A35-A38 PolarHBondContact O-N 2.82Å; A35-L39 WeakPolarHBondContact O-CB 3.31Å; A35-L39 WeakPolarHBondContact O-CD1 3.47Å; A35-L39 VanDerWaalsContact O-CG 3.31Å; A35-L39 WeakPolarHBondContact O-CG 3.25Å; A35-L39 PolarHBondContact O-N 3.45Å
36V79.2Confident73.5Confident81 Ų8193.6 Ų93.649%0.49150%0.501SS..Hα-helixtrans-60.6-44.4173.5171.60000110.6L32 L33 L39 V40L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 2.98Å; L32-V36 PolarHBondContact O-N 3.17Å; L33-V36 PolarHBondContact O-N 3.3Å; V36-L39 PolarHBondContact O-N 3.13Å; V36-V40 WeakPolarHBondContact O-CG2 3.3Å; V36-V40 PolarHBondContact O-N 3.2Å; V36-V40 VanDerWaalsContact O-N 3.15Å
37W75.1Confident72.3Confident97 Ų9789.7 Ų89.737%0.36749%0.494SS..Hα-helixtrans-64.6-44.1176.217775.5000112.5L33 G34 A35 L39 V40 A41 A57 P61L33-W37 PolarHBondContact O-N 3.02Å; G34-W37 PolarHBondContact O-N 3.43Å; A35-W37 VanDerWaalsContact C-N 3.34Å; A35-W37 PolarHBondContact O-N 3.33Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 3.33Å; W37-V40 CarbonylContact O-C 3.55Å; W37-V40 WeakPolarHBondContact O-CB 3.2Å; W37-V40 PolarHBondContact O-N 3.16Å; W37-V40 VanDerWaalsContact O-N 3.11Å; W37-A41 HydrophobicContact CD2-CB 4.41Å; W37-A41 HydrophobicContact CH2-CB 4.12Å; W37-A41 HydrophobicContact CZ2-CB 3.86Å; W37-A41 HydrophobicContact CZ3-CB 4.46Å; W37-A41 WeakPolarHBondContact O-CB 3.44Å; W37-A41 PolarHBondContact O-N 3.45Å; W37-A57 PolarHBondContact NE1-O 2.87Å; W37-P61 HydrophobicContact CD2-CG 3.47Å; W37-P61 VanDerWaalsContact CD2-CG 3.47Å; W37-P61 HydrophobicContact CE3-CG 4.22Å; W37-P61 HydrophobicContact CG-CG 3.79Å; W37-P61 HydrophobicContact CH2-CG 4.12Å; W37-P61 HydrophobicContact CZ2-CG 3.39Å; W37-P61 VanDerWaalsContact NE1-CD 3.28Å
38A71.1Confident71.1Confident28 Ų2890.2 Ų90.223%0.23151%0.507CS..Hα-helixtrans-61.1-42.1177.500000111G34 A35 V40 A41 F42G34-A38 VanDerWaalsContact O-CB 3.26Å; G34-A38 WeakPolarHBondContact O-CB 3.18Å; G34-A38 PolarHBondContact O-N 3.29Å; A35-A38 PolarHBondContact O-N 2.82Å; A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 3.32Å; A38-A41 PolarHBondContact O-N 3.19Å; A38-A41 VanDerWaalsContact O-N 3.16Å; A38-F42 HydrophobicContact CB-CD2 4.05Å; A38-F42 HydrophobicContact CB-CE2 4.23Å; A38-F42 WeakPolarHBondContact O-CB 3.45Å; A38-F42 WeakPolarHBondContact O-CD2 3.28Å; A38-F42 PolarHBondContact O-N 2.84Å
39L73.3Confident70Confident88 Ų8888.4 Ų88.446%0.46150%0.503SS..Hα-helixtrans-56.9-41.8173.4-78.8159.7000112.2A35 V36 W37 D43 L44A35-L39 WeakPolarHBondContact O-CB 3.31Å; A35-L39 WeakPolarHBondContact O-CD1 3.47Å; A35-L39 VanDerWaalsContact O-CG 3.31Å; A35-L39 WeakPolarHBondContact O-CG 3.25Å; A35-L39 PolarHBondContact O-N 3.45Å; V36-L39 PolarHBondContact O-N 3.13Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 3.33Å; L39-D43 PolarHBondContact O-N 3.35Å; L39-L44 HydrophobicContact CD2-CB 3.89Å; L39-L44 HydrophobicContact CD2-CD2 3.97Å; L39-L44 PolarHBondContact O-N 2.89Å
40V70.3Confident69.1Low67 Ų6790.5 Ų90.541%0.40651%0.508SS..Hα-helixtrans-69.3-38.9176174.80000111.7V36 W37 A38 Y53 A57V36-V40 WeakPolarHBondContact O-CG2 3.3Å; V36-V40 PolarHBondContact O-N 3.2Å; V36-V40 VanDerWaalsContact O-N 3.15Å; W37-V40 CarbonylContact O-C 3.55Å; W37-V40 WeakPolarHBondContact O-CB 3.2Å; W37-V40 PolarHBondContact O-N 3.16Å; W37-V40 VanDerWaalsContact O-N 3.11Å; A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 3.32Å; V40-Y53 HydrophobicContact CG1-CE1 4.35Å; V40-A57 HydrophobicContact CG1-CB 4.42Å
41A68.9Low68.2Low8 Ų895.9 Ų95.97%0.06652%0.518CS..Hα-helixtrans-74.6-40.3-178.700000113.3W37 A38 D43W37-A41 HydrophobicContact CD2-CB 4.41Å; W37-A41 HydrophobicContact CH2-CB 4.12Å; W37-A41 HydrophobicContact CZ2-CB 3.86Å; W37-A41 HydrophobicContact CZ3-CB 4.46Å; W37-A41 WeakPolarHBondContact O-CB 3.44Å; W37-A41 PolarHBondContact O-N 3.45Å; A38-A41 PolarHBondContact O-N 3.19Å; A38-A41 VanDerWaalsContact O-N 3.16Å; A41-D43 VanDerWaalsContact C-N 3.27Å
42F68.1Low67.6Low149 Ų14997.1 Ų97.165%0.65452%0.523SS*.Hα-helixtrans-81.5-5.8178.2-74.4-74.2000113.1A38 L44A38-F42 HydrophobicContact CB-CD2 4.05Å; A38-F42 HydrophobicContact CB-CE2 4.23Å; A38-F42 WeakPolarHBondContact O-CB 3.45Å; A38-F42 WeakPolarHBondContact O-CD2 3.28Å; A38-F42 PolarHBondContact O-N 2.84Å; F42-L44 HydrophobicContact CB-CD1 3.42Å; F42-L44 VanDerWaalsContact CB-CD1 3.42Å; F42-L44 HydrophobicContact CG-CD1 4.37Å; F42-L44 PolarHBondContact O-N 2.88Å
43D62.2Low66.8Low45 Ų4597.1 Ų97.124%0.24152%0.515CS..THydrogen-bonded Turntrans55.834.7176.9-145.2-105.6000112.6L39 A41 L45 E46 R54L39-D43 PolarHBondContact O-N 3.35Å; A41-D43 VanDerWaalsContact C-N 3.27Å; D43-L45 PolarHBondContact O-N 3.07Å; D43-E46 PolarHBondContact O-N 3.26Å; D43-R54 IonicContact OD1-NH2 3.02Å; D43-R54 PolarHBondContact OD1-NH2 3.5Å; D43-R54 IonicContact OD2-CZ 3.17Å; D43-R54 IonicContact OD2-NE 3.89Å; D43-R54 IonicContact OD2-NH1 3.62Å; D43-R54 IonicContact OD2-NH2 2.66Å; D43-R54 PolarHBondContact OD2-NH2 2.89Å
44L53.9Low66.1Low121 Ų12196.3 Ų96.363%0.63450%0.503SS*.THydrogen-bonded Turntrans-61.7-11.1-174.8-112.482.5000113.7L39 F42L39-L44 HydrophobicContact CD2-CB 3.89Å; L39-L44 HydrophobicContact CD2-CD2 3.97Å; L39-L44 PolarHBondContact O-N 2.89Å; F42-L44 HydrophobicContact CB-CD1 3.42Å; F42-L44 VanDerWaalsContact CB-CD1 3.42Å; F42-L44 HydrophobicContact CG-CD1 4.37Å; F42-L44 PolarHBondContact O-N 2.88Å
45L56.1Low65.6Low128 Ų128101.4 Ų101.467%0.6752%0.518SS*.THydrogen-bonded Turntrans-101.4-0.5-172.6-139.267.2000113.9D43 L47D43-L45 PolarHBondContact O-N 3.07Å; L45-L47 HydrophobicContact CB-CD1 3.98Å; L45-L47 HydrophobicContact CD2-CD1 3.73Å; L45-L47 HydrophobicContact CG-CD1 3.77Å; L45-L47 WeakPolarHBondContact O-CD1 3.36Å; L45-L47 PolarHBondContact O-N 2.91Å
46E54.8Low65.3Low179 Ų179103.5 Ų103.584%0.83653%0.525SS*.  trans46.725.1-177.2-68.6176141.100113.3D43 S48D43-E46 PolarHBondContact O-N 3.26Å; E46-S48 PolarHBondContact O-N 3.21Å
47L55.7Low65.1Low106 Ų106100.1 Ų100.156%0.55551%0.506SS*.  trans-74.3106.8171.3-100.976.5000105.3L45 L49L45-L47 HydrophobicContact CB-CD1 3.98Å; L45-L47 HydrophobicContact CD2-CD1 3.73Å; L45-L47 HydrophobicContact CG-CD1 3.77Å; L45-L47 WeakPolarHBondContact O-CD1 3.36Å; L45-L47 PolarHBondContact O-N 2.91Å; L47-L49 PolarHBondContact O-N 3.31Å
48S54.7Low64.9Low128 Ų128103.7 Ų103.790%0.89552%0.52SS*.  trans-51.174.1172.3-170.60000111.5E46E46-S48 PolarHBondContact O-N 3.21Å
49L58.2Low65.4Low83 Ų83104.1 Ų104.144%0.43552%0.52SS..  trans-86.4134.7175.1-86.2-174.3000108.6L47 R51 Y53L47-L49 PolarHBondContact O-N 3.31Å; L49-R51 PolarHBondContact O-N 2.88Å; L49-Y53 HydrophobicContact CD1-CD1 3.48Å; L49-Y53 VanDerWaalsContact CD1-CD1 3.48Å; L49-Y53 HydrophobicContact CD1-CE1 3.74Å; L49-Y53 HydrophobicContact CD1-CG 4.27Å
50P63.4Low65.7Low87 Ų87105 Ų10557%0.56552%0.523SS*.  trans-57.2140.2-18022.3-31.7000110.5T52 Y53P50-T52 PolarHBondContact O-N 2.9Å; P50-Y53 PolarHBondContact O-N 2.88Å
51R63.7Low66.1Low211 Ų211104 Ų10480%0.79652%0.518SS*.Hα-helixtrans-49.8-34.8-173.8-61.8-171.9-172.6-140.32.1113.5L49 Y53 R54 E55L49-R51 PolarHBondContact O-N 2.88Å; R51-Y53 VanDerWaalsContact C-N 3.28Å; R51-Y53 PolarHBondContact O-N 2.91Å; R51-R54 WeakPolarHBondContact O-CB 3.38Å; R51-R54 PolarHBondContact O-N 3.48Å; R51-R54 VanDerWaalsContact O-N 3.14Å; R51-E55 PolarHBondContact O-N 3.42Å
52T67.8Low66.8Low102 Ų102109 Ų10963%0.62654%0.543SS*.Hα-helixtrans-55.2-38.1175.7-50.90000113.4P50 V56P50-T52 PolarHBondContact O-N 2.9Å; T52-V56 WeakPolarHBondContact O-CG2 3.47Å; T52-V56 PolarHBondContact O-N 2.78Å
53Y66.4Low67.5Low121 Ų121110 Ų11048%0.47554%0.544SS..Hα-helixtrans-72.6-35.3179.8-172.2-94.4000111.8V40 L49 P50 R51 V56 A57V40-Y53 HydrophobicContact CG1-CE1 4.35Å; L49-Y53 HydrophobicContact CD1-CD1 3.48Å; L49-Y53 VanDerWaalsContact CD1-CD1 3.48Å; L49-Y53 HydrophobicContact CD1-CE1 3.74Å; L49-Y53 HydrophobicContact CD1-CG 4.27Å; P50-Y53 PolarHBondContact O-N 2.88Å; R51-Y53 VanDerWaalsContact C-N 3.28Å; R51-Y53 PolarHBondContact O-N 2.91Å; Y53-V56 PolarHBondContact O-N 3.46Å; Y53-A57 HydrophobicContact CD1-CB 4.24Å; Y53-A57 HydrophobicContact CE1-CB 4.09Å; Y53-A57 WeakPolarHBondContact O-CB 3.28Å; Y53-A57 PolarHBondContact O-N 3.47Å
54R67.7Low68.5Low113 Ų113113.4 Ų113.443%0.42656%0.561SS.*Hα-helixtrans-65.4-41.6177.9-172.4-177.6-67.2-112.211.1112D43 R51 V56 A57 W58D43-R54 IonicContact OD1-NH2 3.02Å; D43-R54 PolarHBondContact OD1-NH2 3.5Å; D43-R54 IonicContact OD2-CZ 3.17Å; D43-R54 IonicContact OD2-NE 3.89Å; D43-R54 IonicContact OD2-NH1 3.62Å; D43-R54 IonicContact OD2-NH2 2.66Å; D43-R54 PolarHBondContact OD2-NH2 2.89Å; R51-R54 WeakPolarHBondContact O-CB 3.38Å; R51-R54 PolarHBondContact O-N 3.48Å; R51-R54 VanDerWaalsContact O-N 3.14Å; R54-V56 PolarHBondContact O-N 2.8Å; R54-A57 PolarHBondContact O-N 3.38Å; R54-W58 PolarHBondContact O-N 3.41Å; R54-W58 VanDerWaalsContact O-N 3.12Å
55E70.3Confident70.1Confident141 Ų141113.1 Ų113.166%0.65956%0.56SS**Hα-helixtrans-62.7-32.8177.7-70.4174.3-168.500112.3R51 P59R51-E55 PolarHBondContact O-N 3.42Å; E55-P59 WeakPolarHBondContact O-CD 3.36Å
56V71.6Confident71.7Confident90 Ų90111 Ų11155%0.54555%0.552SS.*Hα-helixtrans-85.6-35.2177.8178.50000112.3T52 Y53 R54 P59 M60T52-V56 WeakPolarHBondContact O-CG2 3.47Å; T52-V56 PolarHBondContact O-N 2.78Å; Y53-V56 PolarHBondContact O-N 3.46Å; R54-V56 PolarHBondContact O-N 2.8Å; V56-P59 VanDerWaalsContact O-CD 3.29Å; V56-P59 WeakPolarHBondContact O-CD 3.32Å; V56-M60 VanDerWaalsContact O-CG 3.3Å; V56-M60 WeakPolarHBondContact O-CG 3.19Å
57A73.4Confident73.4Confident11 Ų11105.8 Ų105.89%0.09154%0.536CS..Hα-helixtrans-72.1-28.3-178.800000113.4W37 V40 Y53 R54W37-A57 PolarHBondContact NE1-O 2.87Å; V40-A57 HydrophobicContact CG1-CB 4.42Å; Y53-A57 HydrophobicContact CD1-CB 4.24Å; Y53-A57 HydrophobicContact CE1-CB 4.09Å; Y53-A57 WeakPolarHBondContact O-CB 3.28Å; Y53-A57 PolarHBondContact O-N 3.47Å; R54-A57 PolarHBondContact O-N 3.38Å
58W72.2Confident75Confident172 Ų172107 Ų10765%0.65254%0.537SS*.THydrogen-bonded Turntrans-63.1-50178.9-170.3-87.5000113.4R54R54-W58 PolarHBondContact O-N 3.41Å; R54-W58 VanDerWaalsContact O-N 3.12Å
59P80.6Confident76.7Confident37 Ų37102.7 Ų102.724%0.2451%0.512CS..THydrogen-bonded Turntrans-84.6-5.9178.936-40.7000114.3E55 V56 L62 Y63E55-P59 WeakPolarHBondContact O-CD 3.36Å; V56-P59 VanDerWaalsContact O-CD 3.29Å; V56-P59 WeakPolarHBondContact O-CD 3.32Å; P59-L62 WeakPolarHBondContact O-CB 3.39Å; P59-L62 PolarHBondContact O-N 2.93Å; P59-Y63 HydrophobicContact CB-CD2 3.72Å; P59-Y63 HydrophobicContact CB-CE2 3.54Å; P59-Y63 HydrophobicContact CG-CD2 4.09Å; P59-Y63 HydrophobicContact CG-CE2 3.79Å; P59-Y63 VanDerWaalsContact O-CD2 3.26Å; P59-Y63 WeakPolarHBondContact O-CD2 3.27Å; P59-Y63 PolarHBondContact O-N 3.23Å
60M79.4Confident78.4Confident106 Ų106102.6 Ų102.652%0.52252%0.517SS..Hα-helixtrans-50.4-49.4-174.9-102.4-92.8-96.800114.9V56 L62 Y63 L64V56-M60 VanDerWaalsContact O-CG 3.3Å; V56-M60 WeakPolarHBondContact O-CG 3.19Å; M60-L62 VanDerWaalsContact C-N 3.31Å; M60-L62 PolarHBondContact O-N 2.85Å; M60-Y63 PolarHBondContact O-N 2.85Å; M60-L64 WeakPolarHBondContact O-CB 3.44Å; M60-L64 PolarHBondContact O-N 3.05Å
61P78.6Confident79.7Confident46 Ų46106.1 Ų106.130%0.29952%0.52SS..Hα-helixtrans-68.4-32.4179.1-14.125.3000112.7W37 L64 L65W37-P61 HydrophobicContact CD2-CG 3.47Å; W37-P61 VanDerWaalsContact CD2-CG 3.47Å; W37-P61 HydrophobicContact CE3-CG 4.22Å; W37-P61 HydrophobicContact CG-CG 3.79Å; W37-P61 HydrophobicContact CH2-CG 4.12Å; W37-P61 HydrophobicContact CZ2-CG 3.39Å; W37-P61 VanDerWaalsContact NE1-CD 3.28Å; P61-L64 PolarHBondContact O-N 3.47Å; P61-L65 WeakPolarHBondContact O-CB 3.43Å; P61-L65 PolarHBondContact O-N 3.37Å
62L83.4Confident81Confident114 Ų11498.7 Ų98.760%0.59750%0.501SS*.Hα-helixtrans-65.8-45.3176.9-175.864.8000109.7P59 M60 L64 L65 V66P59-L62 WeakPolarHBondContact O-CB 3.39Å; P59-L62 PolarHBondContact O-N 2.93Å; M60-L62 VanDerWaalsContact C-N 3.31Å; M60-L62 PolarHBondContact O-N 2.85Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L62-L64 PolarHBondContact O-N 3.39Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-V66 HydrophobicContact CD1-CG2 4.48Å; L62-V66 WeakPolarHBondContact O-CB 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.42Å; L62-V66 PolarHBondContact O-N 2.99Å
63Y83.3Confident82.1Confident169 Ų169100.4 Ų100.466%0.66351%0.505SS*.Hα-helixtrans-61.2-42.1174-79.4-67.5000112.5P59 M60 V66 S67P59-Y63 HydrophobicContact CB-CD2 3.72Å; P59-Y63 HydrophobicContact CB-CE2 3.54Å; P59-Y63 HydrophobicContact CG-CD2 4.09Å; P59-Y63 HydrophobicContact CG-CE2 3.79Å; P59-Y63 VanDerWaalsContact O-CD2 3.26Å; P59-Y63 WeakPolarHBondContact O-CD2 3.27Å; P59-Y63 PolarHBondContact O-N 3.23Å; M60-Y63 PolarHBondContact O-N 2.85Å; Y63-V66 PolarHBondContact O-N 2.96Å; Y63-S67 WeakPolarHBondContact O-CB 3.2Å; Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.42Å
64L84.2Confident83.3Confident116 Ų11697.7 Ų97.761%0.60751%0.508SS*.Hα-helixtrans-66.6-38.9178.1-158.5144000111.5M60 P61 L62 S67 F68M60-L64 WeakPolarHBondContact O-CB 3.44Å; M60-L64 PolarHBondContact O-N 3.05Å; P61-L64 PolarHBondContact O-N 3.47Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L62-L64 PolarHBondContact O-N 3.39Å; L64-S67 WeakPolarHBondContact CA-OG 3.32Å; L64-S67 PolarHBondContact O-OG 2.81Å; L64-F68 WeakPolarHBondContact O-CB 3.42Å; L64-F68 PolarHBondContact O-N 3.29Å
65L85.9Confident84.2Confident116 Ų11694.7 Ų94.761%0.60750%0.502SS*.Hα-helixtrans-67.6-42.9175.8-173.966.2000112P61 L62 G69P61-L65 WeakPolarHBondContact O-CB 3.43Å; P61-L65 PolarHBondContact O-N 3.37Å; L62-L65 PolarHBondContact O-N 2.81Å; L65-G69 PolarHBondContact O-N 2.87Å
66V89.9Confident85.1Confident83 Ų8391.9 Ų91.950%0.50350%0.495SS..Hα-helixtrans-64.2-49177.7171.20000110.3L62 Y63 G69 C70L62-V66 HydrophobicContact CD1-CG2 4.48Å; L62-V66 WeakPolarHBondContact O-CB 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.42Å; L62-V66 PolarHBondContact O-N 2.99Å; Y63-V66 PolarHBondContact O-N 2.96Å; V66-G69 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-N 3.43Å; V66-C70 PolarHBondContact O-SG 2.99Å
67S90.1Very high85.8Confident70 Ų7089.4 Ų89.449%0.4949%0.487SS..Hα-helixtrans-63.1-42.8177.955.70000112.3Y63 L64 G69 C70 Y71Y63-S67 WeakPolarHBondContact O-CB 3.2Å; Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.42Å; L64-S67 WeakPolarHBondContact CA-OG 3.32Å; L64-S67 PolarHBondContact O-OG 2.81Å; S67-G69 VanDerWaalsContact C-N 3.35Å; S67-G69 PolarHBondContact O-N 3.34Å; S67-C70 PolarHBondContact O-N 2.88Å; S67-Y71 VanDerWaalsContact O-CB 3.32Å; S67-Y71 WeakPolarHBondContact O-CB 3.12Å; S67-Y71 PolarHBondContact O-N 3.32Å
68F89.9Confident86.3Confident132 Ų13297 Ų9758%0.57952%0.515SS*.Hα-helixtrans-62-41.9173.6-178.6-100.1000112L64 Y71 S72L64-F68 WeakPolarHBondContact O-CB 3.42Å; L64-F68 PolarHBondContact O-N 3.29Å; F68-Y71 PolarHBondContact O-N 3.14Å; F68-S72 VanDerWaalsContact O-CB 3.27Å; F68-S72 WeakPolarHBondContact O-CB 3.48Å; F68-S72 PolarHBondContact O-N 3.32Å
69G91Very high86.7Confident36 Ų3697.6 Ų97.637%0.37152%0.517SS..Hα-helixtrans-60.8-49.3175.400000112.2L65 V66 S67 Y71 S72 L73L65-G69 PolarHBondContact O-N 2.87Å; V66-G69 PolarHBondContact O-N 2.94Å; S67-G69 VanDerWaalsContact C-N 3.35Å; S67-G69 PolarHBondContact O-N 3.34Å; G69-Y71 PolarHBondContact O-N 3.19Å; G69-S72 PolarHBondContact O-N 3.37Å; G69-L73 WeakPolarHBondContact O-CB 3.2Å; G69-L73 PolarHBondContact O-N 3.12Å
70C93.3Very high86.7Confident81 Ų81100.5 Ų100.555%0.54753%0.534SS..Hα-helixtrans-60.2-44175.5-68.70000112V66 S67 L73 A74V66-C70 PolarHBondContact O-N 3.43Å; V66-C70 PolarHBondContact O-SG 2.99Å; S67-C70 PolarHBondContact O-N 2.88Å; C70-L73 PolarHBondContact O-N 3.3Å; C70-A74 VanDerWaalsContact O-CB 3.28Å; C70-A74 WeakPolarHBondContact O-CB 3.3Å; C70-A74 PolarHBondContact O-N 3.48Å
71Y91.1Very high86.6Confident162 Ų16298 Ų9864%0.63553%0.53SS*.Hα-helixtrans-64.2-43.5178.1-179-96.8000112.4S67 F68 G69 A74 T75S67-Y71 VanDerWaalsContact O-CB 3.32Å; S67-Y71 WeakPolarHBondContact O-CB 3.12Å; S67-Y71 PolarHBondContact O-N 3.32Å; F68-Y71 PolarHBondContact O-N 3.14Å; G69-Y71 PolarHBondContact O-N 3.19Å; Y71-A74 PolarHBondContact O-N 2.84Å; Y71-T75 WeakPolarHBondContact O-CB 3.4Å; Y71-T75 PolarHBondContact O-N 3.16Å; Y71-T75 PolarHBondContact O-OG1 3.39Å
72S91.6Very high86.1Confident54 Ų5499 Ų9938%0.37854%0.535SS..Hα-helixtrans-61.4-47.5175.8-175.70000110.8F68 G69 A74 T75 V76F68-S72 VanDerWaalsContact O-CB 3.27Å; F68-S72 WeakPolarHBondContact O-CB 3.48Å; F68-S72 PolarHBondContact O-N 3.32Å; G69-S72 PolarHBondContact O-N 3.37Å; S72-A74 PolarHBondContact O-N 2.82Å; S72-T75 PolarHBondContact O-N 3.11Å; S72-V76 WeakPolarHBondContact O-CB 3.05Å; S72-V76 VanDerWaalsContact O-CG2 3.32Å; S72-V76 WeakPolarHBondContact O-CG2 3.45Å; S72-V76 PolarHBondContact O-N 2.82Å
73L91.3Very high84.9Confident138 Ų138101.4 Ų101.472%0.72354%0.541SS*.Hα-helixtrans-64.1-41.7179.2-151.979.7000112G69 C70 G77G69-L73 WeakPolarHBondContact O-CB 3.2Å; G69-L73 PolarHBondContact O-N 3.12Å; C70-L73 PolarHBondContact O-N 3.3Å; L73-G77 WeakPolarHBondContact O-CA 3.4Å; L73-G77 PolarHBondContact O-N 3.34Å
74A89.8Confident83.6Confident65 Ų6598.8 Ų98.854%0.53754%0.539SS..Hα-helixtrans-63.4-42.9175.200000111.7C70 Y71 S72 Y78C70-A74 VanDerWaalsContact O-CB 3.28Å; C70-A74 WeakPolarHBondContact O-CB 3.3Å; C70-A74 PolarHBondContact O-N 3.48Å; Y71-A74 PolarHBondContact O-N 2.84Å; S72-A74 PolarHBondContact O-N 2.82Å; A74-Y78 WeakPolarHBondContact O-CB 3.37Å; A74-Y78 PolarHBondContact O-N 2.9Å
75T86.8Confident82.2Confident49 Ų4997.6 Ų97.630%0.30153%0.533SS..Hα-helixtrans-67.1-45.1179.5-58.10000111.7Y71 S72 R79Y71-T75 WeakPolarHBondContact O-CB 3.4Å; Y71-T75 PolarHBondContact O-N 3.16Å; Y71-T75 PolarHBondContact O-OG1 3.39Å; S72-T75 PolarHBondContact O-N 3.11Å; T75-R79 WeakPolarHBondContact O-CG 3.29Å; T75-R79 PolarHBondContact O-N 3.44Å
76V89.4Confident80.7Confident83 Ų8395.2 Ų95.250%0.50353%0.525SS..Hα-helixtrans-66.8-45.3177174.40000110.1S72 Y78 R79 V80S72-V76 WeakPolarHBondContact O-CB 3.05Å; S72-V76 VanDerWaalsContact O-CG2 3.32Å; S72-V76 WeakPolarHBondContact O-CG2 3.45Å; S72-V76 PolarHBondContact O-N 2.82Å; V76-Y78 PolarHBondContact O-N 3.39Å; V76-R79 PolarHBondContact O-N 2.89Å; V76-V80 HydrophobicContact CG1-CG2 4.27Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 3.42Å
77G87.8Confident79.2Confident38 Ų3897.4 Ų97.439%0.39253%0.534SS..Hα-helixtrans-58.8-44.6176.600000112.4L73 V80 A81L73-G77 WeakPolarHBondContact O-CA 3.4Å; L73-G77 PolarHBondContact O-N 3.34Å; G77-V80 PolarHBondContact O-N 3.12Å; G77-A81 VanDerWaalsContact O-CB 3.3Å; G77-A81 WeakPolarHBondContact O-CB 3.36Å; G77-A81 PolarHBondContact O-N 3.24Å
78Y82.4Confident77.8Confident169 Ų169100.4 Ų100.466%0.66354%0.54SS*.Hα-helixtrans-60.1-46.8174.5-177.6-93.2000111.7A74 V76 V80 A81 T82A74-Y78 WeakPolarHBondContact O-CB 3.37Å; A74-Y78 PolarHBondContact O-N 2.9Å; V76-Y78 PolarHBondContact O-N 3.39Å; Y78-V80 PolarHBondContact O-N 3.45Å; Y78-A81 PolarHBondContact O-N 3.49Å; Y78-T82 PolarHBondContact O-N 2.62Å; Y78-T82 PolarHBondContact O-OG1 3.02Å; Y78-T82 VanDerWaalsContact O-OG1 3.13Å
79R81.2Confident76.3Confident186 Ų18696.6 Ų96.670%0.70253%0.533SS*.Hα-helixtrans-65-37.2178.4-72.7-172.7-177.9-142.91.9113.3T75 V76 F83T75-R79 WeakPolarHBondContact O-CG 3.29Å; T75-R79 PolarHBondContact O-N 3.44Å; V76-R79 PolarHBondContact O-N 2.89Å; R79-F83 PolarHBondContact O-N 3.23Å
80V81.4Confident74.8Confident98 Ų9897.2 Ų97.259%0.59454%0.535SS*.Hα-helixtrans-69.8-41.1175.9172.50000110.6V76 G77 Y78 F83 N84V76-V80 HydrophobicContact CG1-CG2 4.27Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-V80 PolarHBondContact O-N 3.42Å; G77-V80 PolarHBondContact O-N 3.12Å; Y78-V80 PolarHBondContact O-N 3.45Å; V80-F83 WeakPolarHBondContact O-CB 3.49Å; V80-F83 PolarHBondContact O-N 2.66Å; V80-N84 PolarHBondContact O-N 3.21Å
81A76.3Confident73.4Confident53 Ų53101.2 Ų101.244%0.43854%0.538SS..Hα-helixtrans-63.5-44.1175.600000111.8G77 Y78 F83 N84 D85G77-A81 VanDerWaalsContact O-CB 3.3Å; G77-A81 WeakPolarHBondContact O-CB 3.36Å; G77-A81 PolarHBondContact O-N 3.24Å; Y78-A81 PolarHBondContact O-N 3.49Å; A81-F83 PolarHBondContact O-N 2.85Å; A81-N84 WeakPolarHBondContact O-CA 3.47Å; A81-N84 VanDerWaalsContact O-CB 3.25Å; A81-N84 WeakPolarHBondContact O-CB 3.29Å; A81-N84 PolarHBondContact O-N 3.26Å; A81-D85 PolarHBondContact O-N 3.06Å
82T68.6Low72.1Confident66 Ų6699.4 Ų99.441%0.40554%0.536SS..Hα-helixtrans-61.6-28.5173.9-62.40000113Y78 N84 D85Y78-T82 PolarHBondContact O-N 2.62Å; Y78-T82 PolarHBondContact O-OG1 3.02Å; Y78-T82 VanDerWaalsContact O-OG1 3.13Å; T82-N84 VanDerWaalsContact C-N 3.31Å; T82-D85 PolarHBondContact O-N 3.35Å
83F57.7Low70.8Confident165 Ų165101.8 Ų101.872%0.72454%0.543SS*.Hα-helixtrans-71.9-25.3173.5-156.7-93.2000112.6R79 V80 A81 C86R79-F83 PolarHBondContact O-N 3.23Å; V80-F83 WeakPolarHBondContact O-CB 3.49Å; V80-F83 PolarHBondContact O-N 2.66Å; A81-F83 PolarHBondContact O-N 2.85Å; F83-C86 VanDerWaalsContact O-CB 3.31Å; F83-C86 WeakPolarHBondContact O-CB 3.43Å; F83-C86 PolarHBondContact O-N 3.41Å
84N55.9Low69.8Low115 Ų115101.4 Ų101.462%0.61554%0.538SS*.Hα-helixtrans-71.1-32.4170.9-177.289000111.9V80 A81 T82 C86 D87V80-N84 PolarHBondContact O-N 3.21Å; A81-N84 WeakPolarHBondContact O-CA 3.47Å; A81-N84 VanDerWaalsContact O-CB 3.25Å; A81-N84 WeakPolarHBondContact O-CB 3.29Å; A81-N84 PolarHBondContact O-N 3.26Å; T82-N84 VanDerWaalsContact C-N 3.31Å; N84-C86 PolarHBondContact O-N 3.43Å; N84-C86 VanDerWaalsContact O-N 3.17Å; N84-D87 PolarHBondContact O-N 2.88Å; N84-D87 VanDerWaalsContact O-N 3.16Å
85D55.7Low69.1Low90 Ų90104.4 Ų104.448%0.48154%0.541SS..THydrogen-bonded Turntrans-68.5-8.5174.8-63.3-40.2000113.4A81 T82 D87 E88 A89A81-D85 PolarHBondContact O-N 3.06Å; T82-D85 PolarHBondContact O-N 3.35Å; D85-D87 PolarHBondContact O-N 3.15Å; D85-E88 PolarHBondContact O-N 2.8Å; D85-A89 PolarHBondContact O-N 2.92Å
86C54.5Low68.5Low66 Ų66107.4 Ų107.445%0.44655%0.551SS.*Hα-helixtrans-63.5-23.5168.7-76.80000112.7F83 N84 E88 A90F83-C86 VanDerWaalsContact O-CB 3.31Å; F83-C86 WeakPolarHBondContact O-CB 3.43Å; F83-C86 PolarHBondContact O-N 3.41Å; N84-C86 PolarHBondContact O-N 3.43Å; N84-C86 VanDerWaalsContact O-N 3.17Å; C86-E88 VanDerWaalsContact C-N 3.34Å; C86-A90 WeakPolarHBondContact O-CB 3.44Å; C86-A90 PolarHBondContact O-N 3.33Å
87D58Low67.9Low129 Ų129107.2 Ų107.269%0.6955%0.547SS*.Hα-helixtrans-67.2-38.1176.3-115.2-34.9000111.1N84 D85 R91N84-D87 PolarHBondContact O-N 2.88Å; N84-D87 VanDerWaalsContact O-N 3.16Å; D85-D87 PolarHBondContact O-N 3.15Å; D87-R91 VanDerWaalsContact O-CB 3.28Å; D87-R91 WeakPolarHBondContact O-CB 3.31Å; D87-R91 PolarHBondContact O-N 3.34Å
88E59.3Low67.4Low134 Ų134112 Ų11263%0.62656%0.557SS**Hα-helixtrans-73.1-46.1-179.7-160.2172.4-147.500111.4D85 C86 A90 R91 E92D85-E88 PolarHBondContact O-N 2.8Å; C86-E88 VanDerWaalsContact C-N 3.34Å; E88-A90 PolarHBondContact O-N 2.79Å; E88-R91 PolarHBondContact O-N 3.5Å; E88-E92 PolarHBondContact O-N 3.39Å; E88-E92 VanDerWaalsContact O-N 3.09Å
89A59Low67.2Low52 Ų52110.7 Ų110.743%0.4356%0.557SS.*Hα-helixtrans-67.2-35.3176.200000112.8D85 R91 L93D85-A89 PolarHBondContact O-N 2.92Å; A89-R91 VanDerWaalsContact C-N 3.34Å; A89-L93 WeakPolarHBondContact O-CB 3.28Å; A89-L93 PolarHBondContact O-N 3.45Å; A89-L93 VanDerWaalsContact O-N 3.11Å
90A60.9Low67Low48 Ų48104.2 Ų104.240%0.39754%0.543SS..Hα-helixtrans-68-34.4173.700000111.8C86 E88 Q94C86-A90 WeakPolarHBondContact O-CB 3.44Å; C86-A90 PolarHBondContact O-N 3.33Å; E88-A90 PolarHBondContact O-N 2.79Å; A90-Q94 WeakPolarHBondContact O-CB 3.18Å; A90-Q94 WeakPolarHBondContact O-CG 3.34Å; A90-Q94 PolarHBondContact O-N 3.47Å
91R62.1Low66.7Low166 Ų166105.2 Ų105.263%0.62654%0.539SS*.Hα-helixtrans-68.7-40.7177.6-154.817977.5-163.4-0.8111.9D87 E88 A89 Q94 E95D87-R91 VanDerWaalsContact O-CB 3.28Å; D87-R91 WeakPolarHBondContact O-CB 3.31Å; D87-R91 PolarHBondContact O-N 3.34Å; E88-R91 PolarHBondContact O-N 3.5Å; A89-R91 VanDerWaalsContact C-N 3.34Å; R91-Q94 PolarHBondContact O-N 3.01Å; R91-E95 PolarHBondContact O-N 3.44Å
92E65.6Low66.9Low124 Ų124106.5 Ų106.558%0.57954%0.537SS*.Hα-helixtrans-64.8-42.8175.1-165.8177.4-169.100111.6E88 Q94 E95 Q96E88-E92 PolarHBondContact O-N 3.39Å; E88-E92 VanDerWaalsContact O-N 3.09Å; E92-Q94 PolarHBondContact O-N 2.85Å; E92-E95 PolarHBondContact O-N 3.07Å; E92-Q96 WeakPolarHBondContact O-CG 3.26Å; E92-Q96 PolarHBondContact O-N 2.8Å
93L62.6Low67.3Low103 Ų103106.7 Ų106.754%0.53954%0.535SS..Hα-helixtrans-63.7-37.2172.8-92.5148.3000112.8A89 Q96 I97A89-L93 WeakPolarHBondContact O-CB 3.28Å; A89-L93 PolarHBondContact O-N 3.45Å; A89-L93 VanDerWaalsContact O-N 3.11Å; L93-Q96 PolarHBondContact O-N 2.82Å; L93-I97 WeakPolarHBondContact O-CD1 3.18Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.99Å
94Q70.4Confident68Low130 Ų130101.8 Ų101.861%0.60752%0.516SS*.Hα-helixtrans-66.2-39.1175-78-81.6-61.700112.3A90 R91 E92 I97 K98A90-Q94 WeakPolarHBondContact O-CB 3.18Å; A90-Q94 WeakPolarHBondContact O-CG 3.34Å; A90-Q94 PolarHBondContact O-N 3.47Å; R91-Q94 PolarHBondContact O-N 3.01Å; E92-Q94 PolarHBondContact O-N 2.85Å; Q94-I97 PolarHBondContact O-N 3.06Å; Q94-K98 WeakPolarHBondContact O-CB 3.37Å; Q94-K98 PolarHBondContact O-N 2.84Å
95E76Confident68.9Low129 Ų129105.2 Ų105.260%0.60352%0.52SS*.Hα-helixtrans-61.9-45.8172.7-89.7-179.9159.400111.4R91 E92 I97 K98 E99R91-E95 PolarHBondContact O-N 3.44Å; E92-E95 PolarHBondContact O-N 3.07Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 3.33Å; E95-K98 WeakPolarHBondContact O-CB 3.05Å; E95-K98 PolarHBondContact O-N 2.9Å; E95-K98 VanDerWaalsContact O-N 3.11Å; E95-E99 PolarHBondContact O-N 2.79Å
96Q73.5Confident69.9Low111 Ų111108.5 Ų108.552%0.51953%0.53SS..Hα-helixtrans-60.6-38.9175.5-69.3-179.346.900112.4E92 L93 A100E92-Q96 WeakPolarHBondContact O-CG 3.26Å; E92-Q96 PolarHBondContact O-N 2.8Å; L93-Q96 PolarHBondContact O-N 2.82Å; Q96-A100 VanDerWaalsContact O-CB 3.26Å; Q96-A100 WeakPolarHBondContact O-CB 3.22Å; Q96-A100 PolarHBondContact O-N 2.9Å
97I76.6Confident70.9Confident80 Ų80112.3 Ų112.341%0.4154%0.54SS..Hα-helixtrans-65.2-39.9175.1-69.4163.6000111.2L93 Q94 E95 K101L93-I97 WeakPolarHBondContact O-CD1 3.18Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.99Å; Q94-I97 PolarHBondContact O-N 3.06Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 3.33Å; I97-K101 HydrophobicContact CG2-CD 4.44Å; I97-K101 WeakPolarHBondContact O-CB 3.33Å; I97-K101 WeakPolarHBondContact O-CG 3.37Å; I97-K101 PolarHBondContact O-N 2.93Å
98K78.1Confident71.4Confident137 Ų137109.1 Ų109.160%0.59654%0.537SS*.Hα-helixtrans-67.4-44.1179.7-170.4-179.2177.7-173.80111.2Q94 E95 K101 E102Q94-K98 WeakPolarHBondContact O-CB 3.37Å; Q94-K98 PolarHBondContact O-N 2.84Å; E95-K98 WeakPolarHBondContact O-CB 3.05Å; E95-K98 PolarHBondContact O-N 2.9Å; E95-K98 VanDerWaalsContact O-N 3.11Å; K98-K101 PolarHBondContact O-N 3.2Å; K98-E102 PolarHBondContact O-N 3.27Å
99E77.6Confident71.3Confident142 Ų142108.2 Ų108.266%0.66454%0.535SS*.Hα-helixtrans-64.2-45176.3-168.2172.1-16000111.2E95 K101 E102 D103E95-E99 PolarHBondContact O-N 2.79Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 3.29Å; E99-E102 PolarHBondContact O-N 3.29Å; E99-D103 WeakPolarHBondContact O-CB 3.37Å; E99-D103 PolarHBondContact O-N 3.29Å
100A77.6Confident71Confident51 Ų51115.7 Ų115.742%0.42156%0.558SS.*Hα-helixtrans-60.4-39.4175.200000112.6Q96 D103 L104Q96-A100 VanDerWaalsContact O-CB 3.26Å; Q96-A100 WeakPolarHBondContact O-CB 3.22Å; Q96-A100 PolarHBondContact O-N 2.9Å; A100-D103 PolarHBondContact O-N 3.3Å; A100-L104 WeakPolarHBondContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CD1 3.21Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 3.02Å
101K75.4Confident70.6Confident118 Ų118123.1 Ų123.151%0.51359%0.587SS.*Hα-helixtrans-65.1-41.9174.2-83.6-176.9175.9-1780112.5I97 K98 E99 D103 L104 R105 M111I97-K101 HydrophobicContact CG2-CD 4.44Å; I97-K101 WeakPolarHBondContact O-CB 3.33Å; I97-K101 WeakPolarHBondContact O-CG 3.37Å; I97-K101 PolarHBondContact O-N 2.93Å; K98-K101 PolarHBondContact O-N 3.2Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 3.29Å; K101-D103 VanDerWaalsContact C-N 3.33Å; K101-L104 PolarHBondContact O-N 3.38Å; K101-R105 WeakPolarHBondContact O-CB 3.47Å; K101-R105 PolarHBondContact O-N 3.2Å; K101-M111 HydrophobicContact CG-SD 4.19Å
102E79.3Confident71Confident81 Ų81121 Ų12138%0.37959%0.585SS.*Hα-helixtrans-66.3-38.2176.6-77.5-171.6-177.100112K98 E99 R105 K106K98-E102 PolarHBondContact O-N 3.27Å; E99-E102 PolarHBondContact O-N 3.29Å; E102-R105 PolarHBondContact O-N 3.41Å; E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 VanDerWaalsContact O-CG 3.31Å; E102-K106 WeakPolarHBondContact O-CG 3.46Å; E102-K106 PolarHBondContact O-N 3.06Å
103D78.1Confident71.3Confident69 Ų69120.8 Ų120.837%0.36959%0.586SS.*Hα-helixtrans-69.3-38.2177.7-146.451.3000111.9E99 A100 K101 K106 K107E99-D103 WeakPolarHBondContact O-CB 3.37Å; E99-D103 PolarHBondContact O-N 3.29Å; A100-D103 PolarHBondContact O-N 3.3Å; K101-D103 VanDerWaalsContact C-N 3.33Å; D103-K106 PolarHBondContact O-N 3.33Å; D103-K107 WeakPolarHBondContact O-CB 3.5Å; D103-K107 WeakPolarHBondContact O-CG 3.38Å; D103-K107 PolarHBondContact O-N 3.39Å; D103-K107 IonicContact OD2-NZ 2.8Å; D103-K107 PolarHBondContact OD2-NZ 3.03Å
104L72.4Confident71.8Confident63 Ų63121.8 Ų121.833%0.3359%0.588SS.*Hα-helixtrans-64.1-39.7170.7-80159.9000112.3A100 K101 K107 G108 L109 M111A100-L104 WeakPolarHBondContact O-CB 3.22Å; A100-L104 WeakPolarHBondContact O-CD1 3.21Å; A100-L104 WeakPolarHBondContact O-CG 3.35Å; A100-L104 PolarHBondContact O-N 3.02Å; K101-L104 PolarHBondContact O-N 3.38Å; L104-K107 CarbonylContact O-C 3.58Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-G108 PolarHBondContact O-N 3.02Å; L104-L109 HydrophobicContact CD2-CD1 3.77Å; L104-L109 PolarHBondContact O-N 3.5Å; L104-M111 HydrophobicContact CD1-CE 3.87Å
105R74.1Confident71.8Confident186 Ų186121.3 Ų121.370%0.70259%0.587SS**Hα-helixtrans-66.3-40.3175.2-170.617668.5134.2-2111.8K101 E102 K107 G108K101-R105 WeakPolarHBondContact O-CB 3.47Å; K101-R105 PolarHBondContact O-N 3.2Å; E102-R105 PolarHBondContact O-N 3.41Å; R105-K107 VanDerWaalsContact C-N 3.3Å; R105-K107 PolarHBondContact O-N 2.9Å; R105-G108 PolarHBondContact O-N 2.91Å; R105-G108 VanDerWaalsContact O-N 3.13Å
106K75.8Confident71.6Confident159 Ų159120.8 Ų120.869%0.69159%0.586SS**Hα-helixtrans-64-35173.5-74.9173.3-173.3170.30111.8E102 D103 G108E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 VanDerWaalsContact O-CG 3.31Å; E102-K106 WeakPolarHBondContact O-CG 3.46Å; E102-K106 PolarHBondContact O-N 3.06Å; D103-K106 PolarHBondContact O-N 3.33Å; K106-G108 PolarHBondContact O-N 3.31Å
107K76.5Confident71.5Confident147 Ų147121.5 Ų121.564%0.63959%0.591SS**THydrogen-bonded Turntrans-76.84.9174.2-73.1169.7-179.2153.60113.9D103 L104 R105 L109D103-K107 WeakPolarHBondContact O-CB 3.5Å; D103-K107 WeakPolarHBondContact O-CG 3.38Å; D103-K107 PolarHBondContact O-N 3.39Å; D103-K107 IonicContact OD2-NZ 2.8Å; D103-K107 PolarHBondContact OD2-NZ 3.03Å; L104-K107 CarbonylContact O-C 3.58Å; L104-K107 PolarHBondContact O-N 3.42Å; R105-K107 VanDerWaalsContact C-N 3.3Å; R105-K107 PolarHBondContact O-N 2.9Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.49Å
108G69.1Low71.1Confident61 Ų61124.4 Ų124.463%0.62960%0.603SS**THydrogen-bonded Turntrans80.66.9170.800000115.1L104 R105 K106 K110L104-G108 PolarHBondContact O-N 3.02Å; R105-G108 PolarHBondContact O-N 2.91Å; R105-G108 VanDerWaalsContact O-N 3.13Å; K106-G108 PolarHBondContact O-N 3.31Å; G108-K110 PolarHBondContact O-N 3.35Å
109L56.1Low70.5Confident115 Ų115123.5 Ų123.560%0.60260%0.604SS**  trans-83.5107.4173.9-73.5162.9000108.6L104 K107 M111L104-L109 HydrophobicContact CD2-CD1 3.77Å; L104-L109 PolarHBondContact O-N 3.5Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.49Å; L109-M111 PolarHBondContact O-N 3.49Å
110K54Low70Confident209 Ų209121.9 Ų121.991%0.90960%0.599SS**  trans-73116.5172.4-66.5-178.6178.3175.10108.6G108G108-K110 PolarHBondContact O-N 3.35Å
111M51Low69.3Low204 Ų204128.4 Ų128.4100%1.00562%0.615SS**  trans-81.70157.3-76.6-178.3173.900109.6K101 L104 L109K101-M111 HydrophobicContact CG-SD 4.19Å; L104-M111 HydrophobicContact CD1-CE 3.87Å; L109-M111 PolarHBondContact O-N 3.49Å

Retrieved 111 of 111 residues in 153.9 ms (Link to these results)