A0A672UYG4_STRHB Loading...

Mediator of RNA polymerase II transcription subunit 30

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A672UYG4, Species STRHB (Strigops habroptila, Kakapo), Gene MED30, Length 179 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
1M39.9Very low43.1Very low238 Ų238131.4 Ų131.4100%1.17286%0.862SS**  01190-50.7-153.9-158.300105.2
2S42.9Very low43.5Very low120 Ų120129.8 Ų129.884%0.83985%0.852SS**  -157.2150.351.3-61.60000111.3
3T47.6Very low43.5Very low132 Ų132129.5 Ų129.581%0.8185%0.849SS**PPolyproline II helixtrans-69.7159.2-179.842.90000114.3
4P46.1Very low43.1Very low114 Ų114125.1 Ų125.174%0.7484%0.839SS**PPolyproline II helixtrans-84.6162.4177.736.1-34.3000112
5P51.9Low42.7Very low129 Ų129122.9 Ų122.984%0.83883%0.833SS**PPolyproline II helixtrans-98.2138.416531.8-21.7000112.4
6L41.3Very low42.4Very low169 Ų169128.4 Ų128.489%0.88584%0.839SS**PPolyproline II helixtrans-56.4134.2177.1-110.366.9000113
7A40.6Very low42.1Very low98 Ų98126.9 Ų126.981%0.8183%0.832SS**PPolyproline II helixtrans-66.9125.2157.800000109.6A9A7-A9 PolarHBondContact O-N 3.11Å
8G38.8Very low41.6Very low79 Ų79123.2 Ų123.281%0.81482%0.82SS**PPolyproline II helixtrans-66.6121170.600000110.3G10G8-G10 PolarHBondContact O-N 3.07Å
9A41.2Very low41.4Very low105 Ų105124.3 Ų124.387%0.86882%0.823SS**PPolyproline II helixtrans-62.1128.7172.800000110.3A7A7-A9 PolarHBondContact O-N 3.11Å
10G34Very low41.3Very low79 Ų79127.7 Ų127.781%0.81483%0.827SS**PPolyproline II helixtrans-68.9137-17800000113.4G8G8-G10 PolarHBondContact O-N 3.07Å
11M49.9Very low41.3Very low182 Ų182125.6 Ų125.690%0.89782%0.82SS**PPolyproline II helixtrans-86.9142.3155.4-101.9145.77700108.8
12P48.1Very low41.1Very low113 Ų113123.3 Ų123.373%0.73481%0.807SS**PPolyproline II helixtrans-75.1147.1-171.930.5-33.5000111.4G14P12-G14 PolarHBondContact O-N 3.27Å
13P43.3Very low40.9Very low126 Ų126122.2 Ų122.282%0.81881%0.805SS**  trans-73.797.9167.928.9-28.7000108.5A15P13-A15 VanDerWaalsContact C-N 3.26Å; P13-A15 PolarHBondContact O-N 3.01Å
14G38Very low40.7Very low68 Ų68120 Ų12070%0.70180%0.8SS**  trans-65.591.7161.700000108.7P12 F16P12-G14 PolarHBondContact O-N 3.27Å; G14-F16 PolarHBondContact O-N 2.91Å
15A37.3Very low41Very low91 Ų91126 Ų12675%0.75281%0.808SS**  trans-57.998.6167.400000108.7P13 S17P13-A15 VanDerWaalsContact C-N 3.26Å; P13-A15 PolarHBondContact O-N 3.01Å; A15-S17 PolarHBondContact O-N 2.8Å
16F37.8Very low41.2Very low211 Ų211128.2 Ų128.293%0.92581%0.807SS**  trans-67.190.7153.6-96.3-96.2000106.1G14 G18G14-F16 PolarHBondContact O-N 2.91Å; F16-G18 PolarHBondContact O-N 3.08Å
17S36.6Very low42.2Very low103 Ų103124.1 Ų124.172%0.7279%0.789SS**  trans-58.292.7158.851.40000106.9A15 T19A15-S17 PolarHBondContact O-N 2.8Å; S17-T19 PolarHBondContact O-N 3.1Å
18G33.9Very low44Very low60 Ų60123.5 Ų123.562%0.61977%0.772SS**  trans-59.4110.9169.700000108.3F16 Q20F16-G18 PolarHBondContact O-N 3.08Å; G18-Q20 PolarHBondContact O-N 3.33Å
19T37.8Very low46.1Very low145 Ų145121.7 Ų121.789%0.8975%0.745SS**  trans-69.352.3158.745.70000109.9S17 A21S17-T19 PolarHBondContact O-N 3.1Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 3.37Å
20Q39.3Very low48Very low192 Ų192119.3 Ų119.390%0.89773%0.726SS**  trans-94.165.7170.6-91.9-173.8-9.100108.9G18G18-Q20 PolarHBondContact O-N 3.33Å
21A41.1Very low50.4Low83 Ų83118.1 Ų118.169%0.68670%0.704SS**SBendtrans-167.473165.600000110.3T19T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 3.37Å
22Q36.3Very low52.3Low191 Ų191110 Ų11089%0.89367%0.665SS**  trans17071.3148.6-95.9157.1-31.800109.3
23A38.8Very low54.3Low96 Ų96107.9 Ų107.979%0.79365%0.652SS**  trans-130.239.2158.600000108.7R25A23-R25 PolarHBondContact O-N 3.42Å; A23-R25 VanDerWaalsContact O-N 3.1Å
24A43.3Very low56.5Low85 Ų85108.2 Ų108.270%0.70264%0.637SS**SBendtrans-56.7114.9147.700000103.8E26A24-E26 VanDerWaalsContact C-N 3.25Å; A24-E26 PolarHBondContact O-N 2.87Å
25R51.2Low59.1Low240 Ų240107.9 Ų107.991%0.90662%0.618SS**  trans-52.495.9178.9-69.4176178.6173.5-1.3107.4A23 V27A23-R25 PolarHBondContact O-N 3.42Å; A23-R25 VanDerWaalsContact O-N 3.1Å; R25-V27 PolarHBondContact O-N 3.04Å
26E55.8Low61.8Low177 Ų177104 Ų10483%0.82759%0.587SS**  trans-58113.9173.8-76.2-177.9168.100105.1A24 N28A24-E26 VanDerWaalsContact C-N 3.25Å; A24-E26 PolarHBondContact O-N 2.87Å; E26-N28 PolarHBondContact O-N 2.99Å
27V63Low64.5Low82 Ų82100.7 Ų100.750%0.49757%0.574SS.*  trans-65.8104.9-177.5-1770000105.6R25 T29 L32 N101R25-V27 PolarHBondContact O-N 3.04Å; V27-T29 PolarHBondContact O-N 2.92Å; V27-L32 HydrophobicContact CG1-CD1 4.31Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.8Å; V27-N101 PolarHBondContact O-ND2 3.25Å
28N78.1Confident67.4Low86 Ų86100.8 Ų100.846%0.4656%0.564SS.*  trans-53.4127.8-176.5-177.9-23.7000109.4E26 A30 S31 L32E26-N28 PolarHBondContact O-N 2.99Å; N28-A30 PolarHBondContact O-N 2.87Å; N28-A30 WeakPolarHBondContact OD1-CB 3.24Å; N28-A30 PolarHBondContact OD1-N 3.38Å; N28-S31 WeakPolarHBondContact O-CA 3.45Å; N28-S31 VanDerWaalsContact O-CB 3.26Å; N28-S31 WeakPolarHBondContact O-CB 3.14Å; N28-S31 PolarHBondContact O-N 2.95Å; N28-L32 PolarHBondContact O-N 3.02Å; N28-L32 VanDerWaalsContact O-N 3.09Å
29T82.4Confident70.4Confident41 Ų4197.9 Ų97.925%0.25253%0.534SS..Hα-helixtrans-54.7-37.4179.2-53.60000111.8V27 S31 L32 C33 N101 C102V27-T29 PolarHBondContact O-N 2.92Å; T29-S31 VanDerWaalsContact C-N 3.29Å; T29-S31 PolarHBondContact O-N 3.43Å; T29-L32 WeakPolarHBondContact O-CB 3.41Å; T29-L32 PolarHBondContact O-N 3.46Å; T29-L32 VanDerWaalsContact O-N 3.15Å; T29-C33 PolarHBondContact O-N 3.38Å; T29-C33 PolarHBondContact O-SG 3Å; T29-C33 VanDerWaalsContact O-SG 3.35Å; T29-N101 HydrophobicContact CG2-CB 4.36Å; T29-N101 WeakPolarHBondContact OG1-CB 3.35Å; T29-N101 PolarHBondContact OG1-ND2 2.84Å; T29-C102 VanDerWaalsContact CG2-SG 3.57Å
30A81.4Confident73.3Confident55 Ų5594.3 Ų94.346%0.45551%0.512SS..Hα-helixtrans-61.8-37.3174.900000112.2N28 C33 R34N28-A30 PolarHBondContact O-N 2.87Å; N28-A30 WeakPolarHBondContact OD1-CB 3.24Å; N28-A30 PolarHBondContact OD1-N 3.38Å; A30-C33 PolarHBondContact O-N 2.81Å; A30-R34 PolarHBondContact O-N 3.46Å
31S85.6Confident76Confident53 Ų5391.4 Ų91.437%0.37150%0.498SS..Hα-helixtrans-67.2-39.1174.6-570000111.8N28 T29 R34 I35N28-S31 WeakPolarHBondContact O-CA 3.45Å; N28-S31 VanDerWaalsContact O-CB 3.26Å; N28-S31 WeakPolarHBondContact O-CB 3.14Å; N28-S31 PolarHBondContact O-N 2.95Å; T29-S31 VanDerWaalsContact C-N 3.29Å; T29-S31 PolarHBondContact O-N 3.43Å; S31-R34 PolarHBondContact O-N 3.23Å; S31-I35 WeakPolarHBondContact O-CD1 3.14Å; S31-I35 VanDerWaalsContact O-CG1 3.23Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.43Å
32L89.8Confident78.7Confident13 Ų1390.5 Ų90.57%0.06848%0.482CS..Hα-helixtrans-62.6-45.1173.4-70.3172000111.4V27 N28 T29 R34 I35 G36 V94 K97 C98V27-L32 HydrophobicContact CG1-CD1 4.31Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.8Å; N28-L32 PolarHBondContact O-N 3.02Å; N28-L32 VanDerWaalsContact O-N 3.09Å; T29-L32 WeakPolarHBondContact O-CB 3.41Å; T29-L32 PolarHBondContact O-N 3.46Å; T29-L32 VanDerWaalsContact O-N 3.15Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 3.44Å; L32-I35 PolarHBondContact O-N 2.93Å; L32-G36 PolarHBondContact O-N 3.29Å; L32-V94 HydrophobicContact CB-CG1 4.43Å; L32-V94 VanDerWaalsContact O-CG1 3.22Å; L32-V94 WeakPolarHBondContact O-CG1 3.49Å; L32-K97 HydrophobicContact CD1-CB 4.08Å; L32-K97 HydrophobicContact CD1-CG 3.62Å; L32-K97 HydrophobicContact CD2-CB 4.48Å; L32-K97 HydrophobicContact CD2-CG 4.28Å; L32-C98 HydrophobicContact CB-CB 4.38Å
33C89.1Confident81.6Confident67 Ų6782.1 Ų82.145%0.45344%0.443SS..Hα-helixtrans-59.6-42.5176.3-680000111.8T29 A30 G36 Q37T29-C33 PolarHBondContact O-N 3.38Å; T29-C33 PolarHBondContact O-SG 3Å; T29-C33 VanDerWaalsContact O-SG 3.35Å; A30-C33 PolarHBondContact O-N 2.81Å; C33-G36 PolarHBondContact O-N 3.21Å; C33-Q37 PolarHBondContact O-N 2.86Å
34R90.1Very high84.5Confident133 Ų13381.4 Ų81.450%0.50243%0.428SS..Hα-helixtrans-62.5-45.4176.2-174178.8-73.5164.1-1.5111.8A30 S31 L32 G36 Q37 E38 E139A30-R34 PolarHBondContact O-N 3.46Å; S31-R34 PolarHBondContact O-N 3.23Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 3.44Å; R34-G36 VanDerWaalsContact C-N 3.28Å; R34-G36 PolarHBondContact O-N 2.93Å; R34-Q37 PolarHBondContact O-N 2.93Å; R34-E38 PolarHBondContact O-N 3.01Å; R34-E139 IonicContact CZ-OE1 2.71Å; R34-E139 IonicContact CZ-OE2 2.76Å; R34-E139 IonicContact NH1-OE1 3.49Å; R34-E139 PolarHBondContact NH1-OE1 3.11Å; R34-E139 IonicContact NH1-OE2 3.6Å; R34-E139 PolarHBondContact NH1-OE2 3.32Å; R34-E139 IonicContact NH2-OE1 3.68Å; R34-E139 IonicContact NH2-OE2 3.49Å; R34-E139 PolarHBondContact NH2-OE2 3.49Å
35I93.4Very high87Confident62 Ų6283.2 Ų83.232%0.31842%0.421SS..Hα-helixtrans-62.8-38.4175.8-65.9163.3000110.8S31 L32 T39 V94S31-I35 WeakPolarHBondContact O-CD1 3.14Å; S31-I35 VanDerWaalsContact O-CG1 3.23Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.43Å; L32-I35 PolarHBondContact O-N 2.93Å; I35-T39 WeakPolarHBondContact O-CB 2.9Å; I35-T39 PolarHBondContact O-N 3.35Å; I35-T39 PolarHBondContact O-OG1 3.05Å; I35-V94 HydrophobicContact CG2-CG2 3.89Å
36G94.1Very high89.2Confident10 Ų1073.1 Ų73.110%0.10338%0.383CS..Hα-helixtrans-61.8-49.2175.900000111.5L32 C33 R34 E38 T39 V40L32-G36 PolarHBondContact O-N 3.29Å; C33-G36 PolarHBondContact O-N 3.21Å; R34-G36 VanDerWaalsContact C-N 3.28Å; R34-G36 PolarHBondContact O-N 2.93Å; G36-E38 PolarHBondContact O-N 3.44Å; G36-T39 PolarHBondContact O-N 2.94Å; G36-V40 WeakPolarHBondContact O-CG2 3.43Å; G36-V40 PolarHBondContact O-N 3.32Å
37Q94.3Very high91.2Very high140 Ų14066.5 Ų66.565%0.65435%0.354SS*.Hα-helixtrans-57.9-49.2176.6-177.4-173.7-11.900112C33 R34 T39 V40 Q41C33-Q37 PolarHBondContact O-N 2.86Å; R34-Q37 PolarHBondContact O-N 2.93Å; Q37-T39 VanDerWaalsContact C-N 3.3Å; Q37-T39 PolarHBondContact O-N 3.43Å; Q37-V40 PolarHBondContact O-N 3.5Å; Q37-Q41 PolarHBondContact O-N 2.94Å
38E95.9Very high92.8Very high105 Ų10567.4 Ų67.449%0.49135%0.354SS..Hα-helixtrans-59.2-43.1177.1-173.1179.9-166.900111.1R34 G36 V40 Q41 D42R34-E38 PolarHBondContact O-N 3.01Å; G36-E38 PolarHBondContact O-N 3.44Å; E38-V40 VanDerWaalsContact C-N 3.35Å; E38-V40 PolarHBondContact O-N 2.72Å; E38-Q41 WeakPolarHBondContact O-CB 3.06Å; E38-Q41 PolarHBondContact O-N 3.18Å; E38-D42 PolarHBondContact O-N 3.47Å
39T97.3Very high93.6Very high0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-64.3-38.1178.2-54.90000112.1I35 G36 Q37 D42 I43 L87 K90 L91I35-T39 WeakPolarHBondContact O-CB 2.9Å; I35-T39 PolarHBondContact O-N 3.35Å; I35-T39 PolarHBondContact O-OG1 3.05Å; G36-T39 PolarHBondContact O-N 2.94Å; Q37-T39 VanDerWaalsContact C-N 3.3Å; Q37-T39 PolarHBondContact O-N 3.43Å; T39-D42 PolarHBondContact O-N 3.46Å; T39-I43 HydrophobicContact CG2-CD1 4.34Å; T39-I43 VanDerWaalsContact O-CG1 3.25Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.1Å; T39-L87 HydrophobicContact CG2-CB 4.47Å; T39-L87 HydrophobicContact CG2-CD2 4.22Å; T39-L87 WeakPolarHBondContact CG2-O 3.37Å; T39-K90 HydrophobicContact CG2-CB 4.37Å; T39-K90 HydrophobicContact CG2-CD 4.07Å; T39-K90 HydrophobicContact CG2-CG 4.31Å; T39-K90 WeakPolarHBondContact OG1-CE 3.45Å; T39-K90 PolarHBondContact OG1-NZ 3.04Å; T39-L91 HydrophobicContact CG2-CB 3.91Å; T39-L91 HydrophobicContact CG2-CD1 4.41Å
40V98.1Very high94.3Very high69 Ų6964.7 Ų64.742%0.41834%0.336SS..Hα-helixtrans-65.2-42.6174.4172.60000110.8G36 Q37 E38 D42 I43 V44 L91G36-V40 WeakPolarHBondContact O-CG2 3.43Å; G36-V40 PolarHBondContact O-N 3.32Å; Q37-V40 PolarHBondContact O-N 3.5Å; E38-V40 VanDerWaalsContact C-N 3.35Å; E38-V40 PolarHBondContact O-N 2.72Å; V40-D42 VanDerWaalsContact C-N 3.33Å; V40-D42 PolarHBondContact O-N 3.19Å; V40-I43 WeakPolarHBondContact O-CB 3.47Å; V40-I43 PolarHBondContact O-N 2.87Å; V40-V44 WeakPolarHBondContact O-CG2 3.09Å; V40-V44 PolarHBondContact O-N 3.37Å; V40-L91 HydrophobicContact CG2-CD1 3.71Å; V40-L91 HydrophobicContact CG2-CD2 3.93Å
41Q97.3Very high95Very high132 Ų13268.4 Ų68.462%0.61734%0.343SS*.Hα-helixtrans-60.4-44.2176.4-173.3177.1800111.5Q37 E38 I43 V44 F45Q37-Q41 PolarHBondContact O-N 2.94Å; E38-Q41 WeakPolarHBondContact O-CB 3.06Å; E38-Q41 PolarHBondContact O-N 3.18Å; Q41-I43 VanDerWaalsContact C-N 3.33Å; Q41-I43 PolarHBondContact O-N 3.01Å; Q41-V44 PolarHBondContact O-N 2.79Å; Q41-F45 PolarHBondContact O-N 3.33Å
42D97.6Very high95.4Very high64 Ų6471.2 Ų71.234%0.34235%0.35SS..Hα-helixtrans-60.7-41.2175.9-72.5-19.1000112E38 T39 V40 V44 F45 R46 L87E38-D42 PolarHBondContact O-N 3.47Å; T39-D42 PolarHBondContact O-N 3.46Å; V40-D42 VanDerWaalsContact C-N 3.33Å; V40-D42 PolarHBondContact O-N 3.19Å; D42-V44 PolarHBondContact O-N 3.2Å; D42-F45 PolarHBondContact O-N 3.04Å; D42-R46 WeakPolarHBondContact O-CB 3.17Å; D42-R46 PolarHBondContact O-N 2.91Å; D42-L87 HydrophobicContact CB-CD1 3.96Å; D42-L87 HydrophobicContact CB-CD2 3.96Å
43I98.1Very high95.5Very high15 Ų1571.9 Ų71.98%0.07735%0.353CS..Hα-helixtrans-59.8-47.5176.3-72.2165.7000110.4T39 V40 Q41 R46 T47 L84 L87 F88 L91T39-I43 HydrophobicContact CG2-CD1 4.34Å; T39-I43 VanDerWaalsContact O-CG1 3.25Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.1Å; V40-I43 WeakPolarHBondContact O-CB 3.47Å; V40-I43 PolarHBondContact O-N 2.87Å; Q41-I43 VanDerWaalsContact C-N 3.33Å; Q41-I43 PolarHBondContact O-N 3.01Å; I43-R46 PolarHBondContact O-N 3.49Å; I43-T47 VanDerWaalsContact O-CB 3.28Å; I43-T47 WeakPolarHBondContact O-CB 3.36Å; I43-T47 PolarHBondContact O-N 3.12Å; I43-T47 PolarHBondContact O-OG1 2.84Å; I43-L84 HydrophobicContact CB-CD1 4.34Å; I43-L84 HydrophobicContact CG1-CD1 4.43Å; I43-L84 HydrophobicContact CG2-CD1 3.89Å; I43-L87 HydrophobicContact CD1-CB 4.16Å; I43-L87 HydrophobicContact CG1-CB 3.57Å; I43-L87 HydrophobicContact CG1-CD1 4.1Å; I43-L87 HydrophobicContact CG1-CG 4.41Å; I43-F88 HydrophobicContact CD1-CD1 3.92Å; I43-F88 HydrophobicContact CD1-CE1 3.94Å; I43-F88 HydrophobicContact CD1-CG 4.39Å; I43-F88 HydrophobicContact CD1-CZ 4.44Å; I43-F88 HydrophobicContact CG2-CE1 4.06Å; I43-F88 HydrophobicContact CG2-CE2 4.17Å; I43-F88 HydrophobicContact CG2-CZ 3.63Å; I43-L91 HydrophobicContact CD1-CB 4.31Å; I43-L91 HydrophobicContact CD1-CD2 3.77Å
44V97.8Very high95.6Very high80 Ų8072.1 Ų72.149%0.48535%0.35SS..Hα-helixtrans-61.9-48.4179.21740000110.1V40 Q41 D42 R46 T47 M48V40-V44 WeakPolarHBondContact O-CG2 3.09Å; V40-V44 PolarHBondContact O-N 3.37Å; Q41-V44 PolarHBondContact O-N 2.79Å; D42-V44 PolarHBondContact O-N 3.2Å; V44-R46 PolarHBondContact O-N 2.85Å; V44-T47 WeakPolarHBondContact O-CB 3.49Å; V44-T47 PolarHBondContact O-N 3.41Å; V44-M48 HydrophobicContact CG1-SD 4.22Å; V44-M48 WeakPolarHBondContact O-CG 3.44Å; V44-M48 PolarHBondContact O-N 2.88Å
45F97.4Very high95.6Very high124 Ų12476.2 Ų76.254%0.54437%0.365SS..Hα-helixtrans-60.2-48.4179.5-171.7-96.3000111.8Q41 D42 T47 M48 E49Q41-F45 PolarHBondContact O-N 3.33Å; D42-F45 PolarHBondContact O-N 3.04Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.28Å; F45-M48 WeakPolarHBondContact O-CB 3.21Å; F45-M48 PolarHBondContact O-N 3.25Å; F45-M48 VanDerWaalsContact O-N 3.1Å; F45-E49 HydrophobicContact CD1-CG 4.24Å; F45-E49 WeakPolarHBondContact CD1-OE2 3.34Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.45Å; F45-E49 WeakPolarHBondContact CE1-OE2 3.43Å; F45-E49 HydrophobicContact CZ-CG 4.4Å; F45-E49 PolarHBondContact O-N 3Å
46R97Very high95.1Very high27 Ų2777.9 Ų77.910%0.10238%0.375CS..Hα-helixtrans-59.7-38.7177.7-172.675.4-83.2174.87.2111.6D42 I43 V44 E49 I50 H80 L84 L87D42-R46 WeakPolarHBondContact O-CB 3.17Å; D42-R46 PolarHBondContact O-N 2.91Å; I43-R46 PolarHBondContact O-N 3.49Å; V44-R46 PolarHBondContact O-N 2.85Å; R46-E49 IonicContact CZ-OE2 3.66Å; R46-E49 IonicContact NE-OE2 3.61Å; R46-E49 PolarHBondContact NE-OE2 2.85Å; R46-E49 IonicContact NH1-OE2 2.93Å; R46-E49 VanDerWaalsContact NH2-CB 3.35Å; R46-E49 IonicContact NH2-OE1 2.84Å; R46-E49 PolarHBondContact NH2-OE1 2.76Å; R46-E49 IonicContact NH2-OE2 3.57Å; R46-E49 PolarHBondContact NH2-OE2 3.34Å; R46-E49 PolarHBondContact O-N 3.49Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 3.42Å; R46-H80 PolarHBondContact NH1-CE1 3.37Å; R46-H80 VanDerWaalsContact NH1-CE1 3.29Å; R46-H80 PolarHBondContact NH1-ND1 3.4Å; R46-H80 PolarHBondContact NH2-CD2 2.73Å; R46-H80 PolarHBondContact NH2-CE1 3.44Å; R46-H80 PolarHBondContact NH2-ND1 2.91Å; R46-H80 PolarHBondContact NH2-NE2 3.26Å; R46-L84 HydrophobicContact CB-CD1 4.24Å; R46-L84 HydrophobicContact CG-CB 4.2Å; R46-L84 HydrophobicContact CG-CD1 4.18Å; R46-L87 HydrophobicContact CB-CD1 4.33Å
47T97.4Very high94.6Very high38 Ų3879.1 Ų79.123%0.23338%0.378CS..Hα-helixtrans-66.8-41.3176.6-590000111.4I43 V44 F45 E49 I50 F51I43-T47 VanDerWaalsContact O-CB 3.28Å; I43-T47 WeakPolarHBondContact O-CB 3.36Å; I43-T47 PolarHBondContact O-N 3.12Å; I43-T47 PolarHBondContact O-OG1 2.84Å; V44-T47 WeakPolarHBondContact O-CB 3.49Å; V44-T47 PolarHBondContact O-N 3.41Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.28Å; T47-E49 VanDerWaalsContact C-N 3.34Å; T47-E49 PolarHBondContact O-N 3.42Å; T47-I50 WeakPolarHBondContact O-CB 3.05Å; T47-I50 PolarHBondContact O-N 3.38Å; T47-F51 HydrophobicContact CG2-CD2 3.8Å; T47-F51 HydrophobicContact CG2-CE2 3.37Å; T47-F51 HydrophobicContact CG2-CZ 4.26Å; T47-F51 WeakPolarHBondContact O-CD2 3.45Å; T47-F51 PolarHBondContact O-N 3.15Å
48M96.8Very high93.6Very high101 Ų10178.8 Ų78.850%0.49838%0.377SS..Hα-helixtrans-60.7-43.4173.7-68.3174.370.200111.6V44 F45 I50 F51 Q52V44-M48 HydrophobicContact CG1-SD 4.22Å; V44-M48 WeakPolarHBondContact O-CG 3.44Å; V44-M48 PolarHBondContact O-N 2.88Å; F45-M48 WeakPolarHBondContact O-CB 3.21Å; F45-M48 PolarHBondContact O-N 3.25Å; F45-M48 VanDerWaalsContact O-N 3.1Å; M48-I50 VanDerWaalsContact C-N 3.34Å; M48-I50 PolarHBondContact O-N 3.35Å; M48-F51 PolarHBondContact O-N 3.09Å; M48-Q52 VanDerWaalsContact O-CG 3.3Å; M48-Q52 WeakPolarHBondContact O-CG 3.42Å; M48-Q52 PolarHBondContact O-N 2.89Å
49E95.4Very high92.4Very high59 Ų5979.6 Ų79.628%0.27638%0.384SS..Hα-helixtrans-63.8-38.2176.9-68.3176.8113.600112.3F45 R46 T47 Q52 L53F45-E49 HydrophobicContact CD1-CG 4.24Å; F45-E49 WeakPolarHBondContact CD1-OE2 3.34Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.45Å; F45-E49 WeakPolarHBondContact CE1-OE2 3.43Å; F45-E49 HydrophobicContact CZ-CG 4.4Å; F45-E49 PolarHBondContact O-N 3Å; R46-E49 IonicContact CZ-OE2 3.66Å; R46-E49 IonicContact NE-OE2 3.61Å; R46-E49 PolarHBondContact NE-OE2 2.85Å; R46-E49 IonicContact NH1-OE2 2.93Å; R46-E49 VanDerWaalsContact NH2-CB 3.35Å; R46-E49 IonicContact NH2-OE1 2.84Å; R46-E49 PolarHBondContact NH2-OE1 2.76Å; R46-E49 IonicContact NH2-OE2 3.57Å; R46-E49 PolarHBondContact NH2-OE2 3.34Å; R46-E49 PolarHBondContact O-N 3.49Å; T47-E49 VanDerWaalsContact C-N 3.34Å; T47-E49 PolarHBondContact O-N 3.42Å; E49-Q52 PolarHBondContact O-N 3.23Å; E49-L53 WeakPolarHBondContact O-CB 3.32Å; E49-L53 PolarHBondContact O-N 3.07Å
50I96.3Very high90.7Very high12 Ų1283 Ų836%0.06241%0.406CS..Hα-helixtrans-59.8-49.2172.8-73163.3000110.3R46 T47 M48 Q52 L53 L54 L77 H80 L81 L84R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 3.42Å; T47-I50 WeakPolarHBondContact O-CB 3.05Å; T47-I50 PolarHBondContact O-N 3.38Å; M48-I50 VanDerWaalsContact C-N 3.34Å; M48-I50 PolarHBondContact O-N 3.35Å; I50-Q52 VanDerWaalsContact C-N 3.34Å; I50-Q52 PolarHBondContact O-N 2.89Å; I50-L53 PolarHBondContact O-N 3.41Å; I50-L54 HydrophobicContact CG2-CD1 3.87Å; I50-L54 HydrophobicContact CG2-CG 4.4Å; I50-L54 WeakPolarHBondContact O-CB 3.44Å; I50-L54 WeakPolarHBondContact O-CG 3.35Å; I50-L54 PolarHBondContact O-N 2.92Å; I50-L77 HydrophobicContact CB-CD1 4.49Å; I50-L77 HydrophobicContact CG1-CD1 4.42Å; I50-L77 HydrophobicContact CG2-CD1 3.74Å; I50-H80 HydrophobicContact CD1-CB 4.02Å; I50-H80 HydrophobicContact CG1-CB 3.59Å; I50-L81 HydrophobicContact CD1-CD2 4.02Å; I50-L84 HydrophobicContact CD1-CD2 3.92Å
51F96.2Very high89Confident133 Ų13385.4 Ų85.458%0.58342%0.417SS*.Hα-helixtrans-64.9-37.2179-72.3-53.5000112.8T47 M48 L54 R55T47-F51 HydrophobicContact CG2-CD2 3.8Å; T47-F51 HydrophobicContact CG2-CE2 3.37Å; T47-F51 HydrophobicContact CG2-CZ 4.26Å; T47-F51 WeakPolarHBondContact O-CD2 3.45Å; T47-F51 PolarHBondContact O-N 3.15Å; M48-F51 PolarHBondContact O-N 3.09Å; F51-L54 HydrophobicContact CD1-CD1 4.45Å; F51-L54 PolarHBondContact O-N 3.37Å; F51-R55 VanDerWaalsContact O-CB 3.28Å; F51-R55 WeakPolarHBondContact O-CB 3.48Å; F51-R55 PolarHBondContact O-N 2.9Å
52Q94.2Very high87.1Confident111 Ų11182.8 Ų82.852%0.51943%0.425SS..Hα-helixtrans-64.1-41.5173.7-72.7175.515.500111.8M48 E49 I50 R55 N56M48-Q52 VanDerWaalsContact O-CG 3.3Å; M48-Q52 WeakPolarHBondContact O-CG 3.42Å; M48-Q52 PolarHBondContact O-N 2.89Å; E49-Q52 PolarHBondContact O-N 3.23Å; I50-Q52 VanDerWaalsContact C-N 3.34Å; I50-Q52 PolarHBondContact O-N 2.89Å; Q52-R55 PolarHBondContact O-N 2.84Å; Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.37Å
53L91.8Very high85.6Confident27 Ų2786.1 Ų86.114%0.14145%0.447CS..Hα-helixtrans-64.1-46.8176.8-176.364.5000111.4E49 I50 N56 M57 R73 K76 L77E49-L53 WeakPolarHBondContact O-CB 3.32Å; E49-L53 PolarHBondContact O-N 3.07Å; I50-L53 PolarHBondContact O-N 3.41Å; L53-N56 PolarHBondContact O-N 3.05Å; L53-M57 PolarHBondContact O-N 2.71Å; L53-M57 VanDerWaalsContact O-N 3.09Å; L53-R73 HydrophobicContact CD1-CB 4.27Å; L53-R73 HydrophobicContact CD1-CG 4.2Å; L53-K76 HydrophobicContact CD2-CB 3.96Å; L53-L77 HydrophobicContact CD2-CB 3.71Å; L53-L77 HydrophobicContact CD2-CD1 4.32Å
54L90.9Very high83.8Confident73 Ų7389.2 Ų89.238%0.38247%0.467SS..Hα-helixtrans-61.5-44.7176.8-73.4173.3000111.8I50 F51 N56 M57 L77I50-L54 HydrophobicContact CG2-CD1 3.87Å; I50-L54 HydrophobicContact CG2-CG 4.4Å; I50-L54 WeakPolarHBondContact O-CB 3.44Å; I50-L54 WeakPolarHBondContact O-CG 3.35Å; I50-L54 PolarHBondContact O-N 2.92Å; F51-L54 HydrophobicContact CD1-CD1 4.45Å; F51-L54 PolarHBondContact O-N 3.37Å; L54-N56 PolarHBondContact O-N 3.47Å; L54-M57 HydrophobicContact CD2-CE 4.43Å; L54-M57 WeakPolarHBondContact O-CB 3.39Å; L54-M57 PolarHBondContact O-N 3.31Å; L54-L77 HydrophobicContact CD2-CD1 4.17Å; L54-L77 HydrophobicContact CD2-CD2 3.69Å; L54-L77 HydrophobicContact CG-CD1 4.17Å
55R89.4Confident82.1Confident218 Ų21891 Ų9182%0.82347%0.466SS*.Hα-helixtrans-55.8-40.7176.8178-177177.5173.71.4112.1F51 Q52 M57F51-R55 VanDerWaalsContact O-CB 3.28Å; F51-R55 WeakPolarHBondContact O-CB 3.48Å; F51-R55 PolarHBondContact O-N 2.9Å; Q52-R55 PolarHBondContact O-N 2.84Å; R55-M57 VanDerWaalsContact C-N 3.33Å
56N84.6Confident80.9Confident97 Ų9791.1 Ų91.152%0.51947%0.468SS..Hα-helixtrans-82.5-14.8-177.8-68.4-35.2000112.5Q52 L53 L54 Q58 R73Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.37Å; L53-N56 PolarHBondContact O-N 3.05Å; L54-N56 PolarHBondContact O-N 3.47Å; N56-Q58 PolarHBondContact O-N 2.94Å; N56-R73 PolarHBondContact O-NH1 3.22Å
57M82.8Confident79.9Confident37 Ų3793.2 Ų93.218%0.18248%0.484CS..  trans-70.9113.5-176.1-159.4170.482.400110.3L53 L54 R55 Y70L53-M57 PolarHBondContact O-N 2.71Å; L53-M57 VanDerWaalsContact O-N 3.09Å; L54-M57 HydrophobicContact CD2-CE 4.43Å; L54-M57 WeakPolarHBondContact O-CB 3.39Å; L54-M57 PolarHBondContact O-N 3.31Å; R55-M57 VanDerWaalsContact C-N 3.33Å; M57-Y70 HydrophobicContact CE-CE2 4.08Å; M57-Y70 HydrophobicContact CG-CD2 4.35Å; M57-Y70 HydrophobicContact CG-CE2 4.32Å; M57-Y70 HydrophobicContact SD-CE2 4.16Å
58Q74.3Confident79.2Confident132 Ų13294.2 Ų94.262%0.61750%0.501SS*.  trans-79.2130.1172.1-69.2-179.213.100109.1N56N56-Q58 PolarHBondContact O-N 2.94Å
59L69.1Low78.5Confident123 Ų12392.9 Ų92.964%0.64450%0.499SS*.  trans-71.6157.7169.2-70.4107.7000110N61L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.23Å; L59-N61 PolarHBondContact O-OD1 3.14Å
60P62Low78Confident71 Ų7193 Ų9346%0.46150%0.497SS..  trans-66.186.1175.5-15.630.1000110.6G62 Y65P60-G62 PolarHBondContact O-N 3.12Å; P60-G62 VanDerWaalsContact O-N 3.15Å; P60-Y65 HydrophobicContact CB-CD2 3.59Å; P60-Y65 HydrophobicContact CB-CE2 3.69Å; P60-Y65 HydrophobicContact CG-CD2 4.05Å; P60-Y65 HydrophobicContact CG-CE2 3.66Å
61N62.9Low77.6Confident120 Ų12097.4 Ų97.464%0.64252%0.518SS*.  trans-83.720.7-175.8-62.6-1.7000113.1L59 V63L59-N61 VanDerWaalsContact C-N 3.29Å; L59-N61 PolarHBondContact O-N 3.23Å; L59-N61 PolarHBondContact O-OD1 3.14Å; N61-V63 PolarHBondContact O-N 3.19Å
62G58.2Low77.3Confident77 Ų7795 Ų9579%0.79451%0.511SS*.SBendtrans68.8-15.9177.100000117P60P60-G62 PolarHBondContact O-N 3.12Å; P60-G62 VanDerWaalsContact O-N 3.15Å
63V64.3Low77.1Confident133 Ų13393.2 Ų93.281%0.80650%0.5SS*.SBendtrans-104.2-30.4-173.2-177.70000113.2N61N61-V63 PolarHBondContact O-N 3.19Å
64T61.5Low77Confident81 Ų8194 Ų9450%0.49750%0.504SS..  trans-145.589.3175.147.80000109.9
65Y61.9Low77.1Confident116 Ų11692.2 Ų92.246%0.45550%0.503SS..  trans-101.5102178.1-173-120.7000110.5P60 T67P60-Y65 HydrophobicContact CB-CD2 3.59Å; P60-Y65 HydrophobicContact CB-CE2 3.69Å; P60-Y65 HydrophobicContact CG-CD2 4.05Å; P60-Y65 HydrophobicContact CG-CE2 3.66Å; Y65-T67 WeakPolarHBondContact CD1-OG1 3.2Å; Y65-T67 HydrophobicContact CE1-CG2 3.79Å; Y65-T67 WeakPolarHBondContact CE1-OG1 3.45Å; Y65-T67 PolarHBondContact O-N 2.91Å
66H72.1Confident77.4Confident128 Ų12886.6 Ų86.659%0.59349%0.485SS*.  trans-9581.7171.1-61.7-66.2000109.6G68 T69 Y70H66-G68 PolarHBondContact O-N 3.34Å; H66-G68 VanDerWaalsContact O-N 3.13Å; H66-T69 PolarHBondContact O-N 3.16Å; H66-Y70 PolarHBondContact O-N 3.48Å; H66-Y70 VanDerWaalsContact O-N 3.17Å
67T76.8Confident77.9Confident70 Ų7082.9 Ų82.943%0.42947%0.465SS..Hα-helixtrans-48.6-42.1-175.3-42.30000113.1Y65 Y70 Q71Y65-T67 WeakPolarHBondContact CD1-OG1 3.2Å; Y65-T67 HydrophobicContact CE1-CG2 3.79Å; Y65-T67 WeakPolarHBondContact CE1-OG1 3.45Å; Y65-T67 PolarHBondContact O-N 2.91Å; T67-Y70 PolarHBondContact O-N 2.92Å; T67-Q71 HydrophobicContact CG2-CG 4.5Å; T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.26Å; T67-Q71 WeakPolarHBondContact O-CG 3.33Å; T67-Q71 PolarHBondContact O-N 3.41Å
68G80.9Confident78.5Confident59 Ų5987.1 Ų87.161%0.60848%0.484SS*.Hα-helixtrans-64.9-42.3-179.600000113.4H66 Q71 D72H66-G68 PolarHBondContact O-N 3.34Å; H66-G68 VanDerWaalsContact O-N 3.13Å; G68-Q71 PolarHBondContact O-N 3.38Å; G68-D72 PolarHBondContact O-N 2.99Å
69T83.6Confident79.6Confident73 Ų7383.9 Ų83.945%0.44847%0.469SS..Hα-helixtrans-70.6-35.2-179.7-380000112H66 R73H66-T69 PolarHBondContact O-N 3.16Å; T69-R73 WeakPolarHBondContact O-CD 3.31Å; T69-R73 VanDerWaalsContact O-CG 3.25Å; T69-R73 WeakPolarHBondContact O-CG 3.26Å; T69-R73 PolarHBondContact O-N 3Å
70Y84.8Confident80.9Confident61 Ų6179.8 Ų79.824%0.23945%0.446CS..Hα-helixtrans-66.3-47.4174.1177.3-94.4000111.4M57 H66 T67 D72 R73 L74M57-Y70 HydrophobicContact CE-CE2 4.08Å; M57-Y70 HydrophobicContact CG-CD2 4.35Å; M57-Y70 HydrophobicContact CG-CE2 4.32Å; M57-Y70 HydrophobicContact SD-CE2 4.16Å; H66-Y70 PolarHBondContact O-N 3.48Å; H66-Y70 VanDerWaalsContact O-N 3.17Å; T67-Y70 PolarHBondContact O-N 2.92Å; Y70-D72 PolarHBondContact O-N 2.86Å; Y70-R73 PolarHBondContact O-N 3.2Å; Y70-L74 HydrophobicContact CE1-CD2 4.16Å; Y70-L74 WeakPolarHBondContact O-CB 3.43Å; Y70-L74 PolarHBondContact O-N 3.09Å
71Q87.9Confident82.6Confident105 Ų10580.3 Ų80.349%0.49145%0.445SS..Hα-helixtrans-61.6-40.7178.6-72.2-67.9-12.400112.4T67 G68 R73 L74 G75T67-Q71 HydrophobicContact CG2-CG 4.5Å; T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.26Å; T67-Q71 WeakPolarHBondContact O-CG 3.33Å; T67-Q71 PolarHBondContact O-N 3.41Å; G68-Q71 PolarHBondContact O-N 3.38Å; Q71-R73 PolarHBondContact O-N 3.38Å; Q71-L74 PolarHBondContact O-N 3.41Å; Q71-G75 PolarHBondContact O-N 3.22Å
72D89.8Confident84.2Confident84 Ų8481.1 Ų81.145%0.44944%0.439SS..Hα-helixtrans-61.6-43.4175.2-178.169.2000112.3G68 Y70 G75 K76G68-D72 PolarHBondContact O-N 2.99Å; Y70-D72 PolarHBondContact O-N 2.86Å; D72-G75 PolarHBondContact O-N 2.94Å; D72-K76 WeakPolarHBondContact O-CG 3.39Å; D72-K76 PolarHBondContact O-N 3.22Å; D72-K76 IonicContact OD1-NZ 3.91Å; D72-K76 VanDerWaalsContact OD2-CE 3.32Å; D72-K76 WeakPolarHBondContact OD2-CE 3.44Å; D72-K76 IonicContact OD2-NZ 2.7Å; D72-K76 PolarHBondContact OD2-NZ 3.33Å
73R89.2Confident86Confident72 Ų7280.3 Ų80.327%0.27242%0.415SS..Hα-helixtrans-66.8-40.3176.6-70.2168.3-178-132.812.3112L53 N56 T69 Y70 Q71 K76 L77L53-R73 HydrophobicContact CD1-CB 4.27Å; L53-R73 HydrophobicContact CD1-CG 4.2Å; N56-R73 PolarHBondContact O-NH1 3.22Å; T69-R73 WeakPolarHBondContact O-CD 3.31Å; T69-R73 VanDerWaalsContact O-CG 3.25Å; T69-R73 WeakPolarHBondContact O-CG 3.26Å; T69-R73 PolarHBondContact O-N 3Å; Y70-R73 PolarHBondContact O-N 3.2Å; Q71-R73 PolarHBondContact O-N 3.38Å; R73-K76 PolarHBondContact O-N 3.49Å; R73-L77 WeakPolarHBondContact O-CB 3.49Å; R73-L77 PolarHBondContact O-N 2.97Å
74L90.1Very high87.6Confident44 Ų4475.1 Ų75.123%0.2338%0.382CS..Hα-helixtrans-63.3-43176.1-173.166.8000111Y70 Q71 L77 Q78Y70-L74 HydrophobicContact CE1-CD2 4.16Å; Y70-L74 WeakPolarHBondContact O-CB 3.43Å; Y70-L74 PolarHBondContact O-N 3.09Å; Q71-L74 PolarHBondContact O-N 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.4Å; L74-L77 PolarHBondContact O-N 2.69Å; L74-Q78 WeakPolarHBondContact O-CG 3.4Å; L74-Q78 PolarHBondContact O-N 2.95Å
75G93.7Very high89.4Confident36 Ų3674 Ų7437%0.37138%0.377SS..Hα-helixtrans-61.7-45.2174.500000112.5Q71 D72 L77 Q78 E79Q71-G75 PolarHBondContact O-N 3.22Å; D72-G75 PolarHBondContact O-N 2.94Å; G75-L77 VanDerWaalsContact C-N 3.34Å; G75-L77 PolarHBondContact O-N 3.47Å; G75-Q78 PolarHBondContact O-N 3Å; G75-E79 PolarHBondContact O-N 3.43Å
76K94.4Very high91.1Very high99 Ų9972.1 Ų72.143%0.4338%0.375SS..Hα-helixtrans-59.5-43.7174.1-76.9170177.61610112.3L53 D72 R73 Q78 E79 H80L53-K76 HydrophobicContact CD2-CB 3.96Å; D72-K76 WeakPolarHBondContact O-CG 3.39Å; D72-K76 PolarHBondContact O-N 3.22Å; D72-K76 IonicContact OD1-NZ 3.91Å; D72-K76 VanDerWaalsContact OD2-CE 3.32Å; D72-K76 WeakPolarHBondContact OD2-CE 3.44Å; D72-K76 IonicContact OD2-NZ 2.7Å; D72-K76 PolarHBondContact OD2-NZ 3.33Å; R73-K76 PolarHBondContact O-N 3.49Å; K76-Q78 PolarHBondContact O-N 3.32Å; K76-E79 PolarHBondContact O-N 2.82Å; K76-H80 PolarHBondContact O-CD2 2.91Å; K76-H80 PolarHBondContact O-N 3Å; K76-H80 PolarHBondContact O-ND1 2.91Å
77L94.8Very high92.3Very high20 Ų2067.2 Ų67.211%0.10535%0.353CS..Hα-helixtrans-60.3-46.8177.1178.764.7000111.2I50 L53 L54 R73 L74 G75 E79 H80 L81I50-L77 HydrophobicContact CB-CD1 4.49Å; I50-L77 HydrophobicContact CG1-CD1 4.42Å; I50-L77 HydrophobicContact CG2-CD1 3.74Å; L53-L77 HydrophobicContact CD2-CB 3.71Å; L53-L77 HydrophobicContact CD2-CD1 4.32Å; L54-L77 HydrophobicContact CD2-CD1 4.17Å; L54-L77 HydrophobicContact CD2-CD2 3.69Å; L54-L77 HydrophobicContact CG-CD1 4.17Å; R73-L77 WeakPolarHBondContact O-CB 3.49Å; R73-L77 PolarHBondContact O-N 2.97Å; L74-L77 WeakPolarHBondContact O-CB 3.4Å; L74-L77 PolarHBondContact O-N 2.69Å; G75-L77 VanDerWaalsContact C-N 3.34Å; G75-L77 PolarHBondContact O-N 3.47Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 2.99Å; L77-H80 PolarHBondContact O-N 3.19Å; L77-L81 HydrophobicContact CD1-CD1 4.45Å; L77-L81 HydrophobicContact CD1-CG 4.5Å; L77-L81 HydrophobicContact CG-CD1 4.19Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.42Å
78Q96.1Very high93.3Very high125 Ų12569 Ų6958%0.58436%0.355SS*.Hα-helixtrans-59.8-41.9177.3-74.4179-5.500111.9L74 G75 K76 L81 R82L74-Q78 WeakPolarHBondContact O-CG 3.4Å; L74-Q78 PolarHBondContact O-N 2.95Å; G75-Q78 PolarHBondContact O-N 3Å; K76-Q78 PolarHBondContact O-N 3.32Å; Q78-L81 PolarHBondContact O-N 3.01Å; Q78-R82 WeakPolarHBondContact O-CB 3.37Å; Q78-R82 PolarHBondContact O-N 3.33Å
79E96.8Very high94.1Very high65 Ų6574.8 Ų74.830%0.30436%0.358SS..Hα-helixtrans-66-41.5176.6179.655.8-16100111.9G75 K76 L77 L81 R82 Q83G75-E79 PolarHBondContact O-N 3.43Å; K76-E79 PolarHBondContact O-N 2.82Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 2.99Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.38Å; E79-R82 WeakPolarHBondContact O-CB 3.22Å; E79-R82 PolarHBondContact O-N 2.96Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.6Å; E79-R82 IonicContact OE1-NH2 3.68Å; E79-R82 PolarHBondContact OE1-NH2 3.34Å; E79-R82 IonicContact OE2-CZ 3.36Å; E79-R82 IonicContact OE2-NE 3.18Å; E79-R82 PolarHBondContact OE2-NE 3.04Å; E79-R82 IonicContact OE2-NH2 2.63Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; E79-Q83 WeakPolarHBondContact O-CG 3.43Å; E79-Q83 PolarHBondContact O-N 3.26Å; E79-Q83 PolarHBondContact OE1-NE2 3.43Å
80H96.4Very high94.7Very high36 Ų3675.4 Ų75.417%0.16736%0.355CS..Hα-helixtrans-62.5-40176.1-62.7-12.2000112R46 I50 K76 L77 Q83 L84R46-H80 PolarHBondContact NH1-CE1 3.37Å; R46-H80 VanDerWaalsContact NH1-CE1 3.29Å; R46-H80 PolarHBondContact NH1-ND1 3.4Å; R46-H80 PolarHBondContact NH2-CD2 2.73Å; R46-H80 PolarHBondContact NH2-CE1 3.44Å; R46-H80 PolarHBondContact NH2-ND1 2.91Å; R46-H80 PolarHBondContact NH2-NE2 3.26Å; I50-H80 HydrophobicContact CD1-CB 4.02Å; I50-H80 HydrophobicContact CG1-CB 3.59Å; K76-H80 PolarHBondContact O-CD2 2.91Å; K76-H80 PolarHBondContact O-N 3Å; K76-H80 PolarHBondContact O-ND1 2.91Å; L77-H80 PolarHBondContact O-N 3.19Å; H80-Q83 PolarHBondContact O-N 3.1Å; H80-L84 VanDerWaalsContact O-CB 3.29Å; H80-L84 WeakPolarHBondContact O-CB 3.4Å; H80-L84 PolarHBondContact O-N 3.36Å
81L97.4Very high95.3Very high83 Ų8374.6 Ų74.644%0.43535%0.354SS..Hα-helixtrans-65.7-38.3174.2-70.9172000112.3I50 L77 Q78 E79 L84 S85I50-L81 HydrophobicContact CD1-CD2 4.02Å; L77-L81 HydrophobicContact CD1-CD1 4.45Å; L77-L81 HydrophobicContact CD1-CG 4.5Å; L77-L81 HydrophobicContact CG-CD1 4.19Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.42Å; Q78-L81 PolarHBondContact O-N 3.01Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.38Å; L81-L84 PolarHBondContact O-N 3.35Å; L81-S85 PolarHBondContact O-N 3Å; L81-S85 PolarHBondContact O-OG 3.27Å
82R97.8Very high95.7Very high136 Ų13677.9 Ų77.951%0.51336%0.362SS..Hα-helixtrans-63.4-46.1174.7-166.4-172.773.790.36.4111.1Q78 E79 S85 I86Q78-R82 WeakPolarHBondContact O-CB 3.37Å; Q78-R82 PolarHBondContact O-N 3.33Å; E79-R82 WeakPolarHBondContact O-CB 3.22Å; E79-R82 PolarHBondContact O-N 2.96Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.6Å; E79-R82 IonicContact OE1-NH2 3.68Å; E79-R82 PolarHBondContact OE1-NH2 3.34Å; E79-R82 IonicContact OE2-CZ 3.36Å; E79-R82 IonicContact OE2-NE 3.18Å; E79-R82 PolarHBondContact OE2-NE 3.04Å; E79-R82 IonicContact OE2-NH2 2.63Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; R82-S85 WeakPolarHBondContact O-CB 3.27Å; R82-S85 PolarHBondContact O-N 3.43Å; R82-I86 WeakPolarHBondContact O-CG1 3.44Å; R82-I86 PolarHBondContact O-N 2.9Å; R82-I86 VanDerWaalsContact O-N 3.15Å
83Q96.8Very high96Very high61 Ų6179.8 Ų79.829%0.28537%0.372SS..Hα-helixtrans-62.4-44.4176.2-71.2174.54.700111.8E79 H80 S85 I86 L87E79-Q83 WeakPolarHBondContact O-CG 3.43Å; E79-Q83 PolarHBondContact O-N 3.26Å; E79-Q83 PolarHBondContact OE1-NE2 3.43Å; H80-Q83 PolarHBondContact O-N 3.1Å; Q83-S85 VanDerWaalsContact C-N 3.27Å; Q83-S85 PolarHBondContact O-N 2.82Å; Q83-I86 WeakPolarHBondContact O-CB 3.23Å; Q83-I86 PolarHBondContact O-N 3.47Å; Q83-L87 PolarHBondContact O-N 3.23Å
84L97.6Very high96.2Very high23 Ų2376.9 Ų76.912%0.1236%0.362CS..Hα-helixtrans-57.8-41.8175.9-171.266.8000111.5I43 R46 I50 H80 L81 I86 L87 F88I43-L84 HydrophobicContact CB-CD1 4.34Å; I43-L84 HydrophobicContact CG1-CD1 4.43Å; I43-L84 HydrophobicContact CG2-CD1 3.89Å; R46-L84 HydrophobicContact CB-CD1 4.24Å; R46-L84 HydrophobicContact CG-CB 4.2Å; R46-L84 HydrophobicContact CG-CD1 4.18Å; I50-L84 HydrophobicContact CD1-CD2 3.92Å; H80-L84 VanDerWaalsContact O-CB 3.29Å; H80-L84 WeakPolarHBondContact O-CB 3.4Å; H80-L84 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 3.35Å; L84-I86 VanDerWaalsContact C-N 3.31Å; L84-I86 PolarHBondContact O-N 3.19Å; L84-L87 PolarHBondContact O-N 3.1Å; L84-F88 HydrophobicContact CD1-CD2 4.45Å; L84-F88 HydrophobicContact CD1-CE2 3.93Å; L84-F88 HydrophobicContact CD2-CE2 4.21Å; L84-F88 HydrophobicContact CG-CD2 4.07Å; L84-F88 HydrophobicContact CG-CE2 3.73Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.44Å; L84-F88 PolarHBondContact O-N 2.92Å
85S97.9Very high96.3Very high57 Ų5781.7 Ų81.740%0.39938%0.378SS..Hα-helixtrans-62.2-37.7175.7-58.30000112.6L81 R82 Q83 R89L81-S85 PolarHBondContact O-N 3Å; L81-S85 PolarHBondContact O-OG 3.27Å; R82-S85 WeakPolarHBondContact O-CB 3.27Å; R82-S85 PolarHBondContact O-N 3.43Å; Q83-S85 VanDerWaalsContact C-N 3.27Å; Q83-S85 PolarHBondContact O-N 2.82Å; S85-R89 WeakPolarHBondContact O-CG 3.42Å; S85-R89 PolarHBondContact O-N 3.49Å
86I97.6Very high96.2Very high77 Ų7783.1 Ų83.140%0.39538%0.377SS..Hα-helixtrans-67.6-43.3175.9-65.7165.3000110.4R82 Q83 L84 F88 R89 K90R82-I86 WeakPolarHBondContact O-CG1 3.44Å; R82-I86 PolarHBondContact O-N 2.9Å; R82-I86 VanDerWaalsContact O-N 3.15Å; Q83-I86 WeakPolarHBondContact O-CB 3.23Å; Q83-I86 PolarHBondContact O-N 3.47Å; L84-I86 VanDerWaalsContact C-N 3.31Å; L84-I86 PolarHBondContact O-N 3.19Å; I86-F88 VanDerWaalsContact C-N 3.34Å; I86-F88 PolarHBondContact O-N 2.7Å; I86-R89 PolarHBondContact O-N 3.25Å; I86-K90 PolarHBondContact O-N 3.49Å
87L97.4Very high96Very high26 Ų2682.5 Ų82.514%0.13637%0.374CS..Hα-helixtrans-60-42.3177.8-70.5170.5000111.9T39 D42 I43 R46 Q83 L84 R89 K90 L91T39-L87 HydrophobicContact CG2-CB 4.47Å; T39-L87 HydrophobicContact CG2-CD2 4.22Å; T39-L87 WeakPolarHBondContact CG2-O 3.37Å; D42-L87 HydrophobicContact CB-CD1 3.96Å; D42-L87 HydrophobicContact CB-CD2 3.96Å; I43-L87 HydrophobicContact CD1-CB 4.16Å; I43-L87 HydrophobicContact CG1-CB 3.57Å; I43-L87 HydrophobicContact CG1-CD1 4.1Å; I43-L87 HydrophobicContact CG1-CG 4.41Å; R46-L87 HydrophobicContact CB-CD1 4.33Å; Q83-L87 PolarHBondContact O-N 3.23Å; L84-L87 PolarHBondContact O-N 3.1Å; L87-R89 PolarHBondContact O-N 3.06Å; L87-K90 WeakPolarHBondContact O-CB 3.44Å; L87-K90 PolarHBondContact O-N 2.93Å; L87-L91 WeakPolarHBondContact O-CB 3.25Å; L87-L91 PolarHBondContact O-N 3.44Å
88F98Very high95.7Very high106 Ų10682.6 Ų82.647%0.46538%0.376SS..Hα-helixtrans-64.1-38.6175.3-80.5-63.7000113.2I43 L84 I86 L91 R92I43-F88 HydrophobicContact CD1-CD1 3.92Å; I43-F88 HydrophobicContact CD1-CE1 3.94Å; I43-F88 HydrophobicContact CD1-CG 4.39Å; I43-F88 HydrophobicContact CD1-CZ 4.44Å; I43-F88 HydrophobicContact CG2-CE1 4.06Å; I43-F88 HydrophobicContact CG2-CE2 4.17Å; I43-F88 HydrophobicContact CG2-CZ 3.63Å; L84-F88 HydrophobicContact CD1-CD2 4.45Å; L84-F88 HydrophobicContact CD1-CE2 3.93Å; L84-F88 HydrophobicContact CD2-CE2 4.21Å; L84-F88 HydrophobicContact CG-CD2 4.07Å; L84-F88 HydrophobicContact CG-CE2 3.73Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.44Å; L84-F88 PolarHBondContact O-N 2.92Å; I86-F88 VanDerWaalsContact C-N 3.34Å; I86-F88 PolarHBondContact O-N 2.7Å; F88-L91 PolarHBondContact O-N 3.24Å; F88-R92 PolarHBondContact O-N 2.7Å
89R98Very high95.2Very high182 Ų18280.7 Ų80.769%0.68737%0.371SS*.Hα-helixtrans-64.8-42.5173.8-69.8177.8-166.5142.93.1111.7S85 I86 L87 R92 L93S85-R89 WeakPolarHBondContact O-CG 3.42Å; S85-R89 PolarHBondContact O-N 3.49Å; I86-R89 PolarHBondContact O-N 3.25Å; L87-R89 PolarHBondContact O-N 3.06Å; R89-R92 PolarHBondContact O-N 3.48Å; R89-L93 PolarHBondContact O-N 2.91Å; R89-L93 VanDerWaalsContact O-N 3.09Å
90K96.8Very high94.7Very high85 Ų8583.2 Ų83.237%0.3738%0.382SS..Hα-helixtrans-60.1-48.1174.8-178.2-173174.6-160.10110.5T39 I86 L87 R92 L93 V94T39-K90 HydrophobicContact CG2-CB 4.37Å; T39-K90 HydrophobicContact CG2-CD 4.07Å; T39-K90 HydrophobicContact CG2-CG 4.31Å; T39-K90 WeakPolarHBondContact OG1-CE 3.45Å; T39-K90 PolarHBondContact OG1-NZ 3.04Å; I86-K90 PolarHBondContact O-N 3.49Å; L87-K90 WeakPolarHBondContact O-CB 3.44Å; L87-K90 PolarHBondContact O-N 2.93Å; K90-R92 VanDerWaalsContact C-N 3.29Å; K90-R92 PolarHBondContact O-N 3.39Å; K90-L93 PolarHBondContact O-N 2.95Å; K90-V94 WeakPolarHBondContact O-CG2 3.43Å; K90-V94 PolarHBondContact O-N 3.3Å
91L97.1Very high93.9Very high44 Ų4484.7 Ų84.723%0.2339%0.391CS..Hα-helixtrans-58.7-43.3179.5-176.461.7000111.2T39 V40 I43 L87 F88 V94 Y95T39-L91 HydrophobicContact CG2-CB 3.91Å; T39-L91 HydrophobicContact CG2-CD1 4.41Å; V40-L91 HydrophobicContact CG2-CD1 3.71Å; V40-L91 HydrophobicContact CG2-CD2 3.93Å; I43-L91 HydrophobicContact CD1-CB 4.31Å; I43-L91 HydrophobicContact CD1-CD2 3.77Å; L87-L91 WeakPolarHBondContact O-CB 3.25Å; L87-L91 PolarHBondContact O-N 3.44Å; F88-L91 PolarHBondContact O-N 3.24Å; L91-V94 PolarHBondContact O-N 3.45Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.21Å
92R96.3Very high92.6Very high175 Ų17582.6 Ų82.666%0.6638%0.383SS*.Hα-helixtrans-62-45.4177.4-174.6154.5-170.2124.23.6112.3F88 R89 K90 V94 Y95 D96F88-R92 PolarHBondContact O-N 2.7Å; R89-R92 PolarHBondContact O-N 3.48Å; K90-R92 VanDerWaalsContact C-N 3.29Å; K90-R92 PolarHBondContact O-N 3.39Å; R92-V94 VanDerWaalsContact C-N 3.32Å; R92-V94 PolarHBondContact O-N 2.93Å; R92-Y95 WeakPolarHBondContact O-CB 3.2Å; R92-Y95 PolarHBondContact O-N 2.84Å; R92-D96 PolarHBondContact O-N 3.46Å
93L95.1Very high91Very high123 Ų12380.1 Ų80.164%0.64439%0.392SS*.Hα-helixtrans-60.8-42.4177.2-170.7151.8000111.8R89 K90 K97R89-L93 PolarHBondContact O-N 2.91Å; R89-L93 VanDerWaalsContact O-N 3.09Å; K90-L93 PolarHBondContact O-N 2.95Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 PolarHBondContact O-N 2.96Å
94V94.1Very high89.3Confident12 Ų1281 Ų817%0.07342%0.417CS..Hα-helixtrans-63.8-43176.2174.50000111L32 I35 K90 L91 R92 K97 C98L32-V94 HydrophobicContact CB-CG1 4.43Å; L32-V94 VanDerWaalsContact O-CG1 3.22Å; L32-V94 WeakPolarHBondContact O-CG1 3.49Å; I35-V94 HydrophobicContact CG2-CG2 3.89Å; K90-V94 WeakPolarHBondContact O-CG2 3.43Å; K90-V94 PolarHBondContact O-N 3.3Å; L91-V94 PolarHBondContact O-N 3.45Å; R92-V94 VanDerWaalsContact C-N 3.32Å; R92-V94 PolarHBondContact O-N 2.93Å; V94-K97 PolarHBondContact O-N 3.29Å; V94-C98 WeakPolarHBondContact O-CB 3.47Å; V94-C98 PolarHBondContact O-N 2.97Å
95Y91.6Very high87.5Confident145 Ų14586 Ų8657%0.56944%0.443SS*.Hα-helixtrans-61.6-51.4176.7175.1-93.1000111.5L91 R92 K97 C98 N99L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.21Å; R92-Y95 WeakPolarHBondContact O-CB 3.2Å; R92-Y95 PolarHBondContact O-N 2.84Å; Y95-K97 VanDerWaalsContact C-N 3.28Å; Y95-K97 PolarHBondContact O-N 3.43Å; Y95-C98 PolarHBondContact O-N 3.26Å; Y95-N99 HydrophobicContact CE1-CB 4.47Å; Y95-N99 WeakPolarHBondContact O-CB 3.28Å; Y95-N99 PolarHBondContact O-N 3.5Å
96D92.3Very high85.3Confident65 Ų6590.6 Ų90.635%0.34846%0.463SS..Hα-helixtrans-57.8-44.8-179.5-65.5-23.4000110R92 N99 E100R92-D96 PolarHBondContact O-N 3.46Å; D96-N99 PolarHBondContact O-N 3Å; D96-E100 WeakPolarHBondContact O-CG 3.25Å; D96-E100 PolarHBondContact O-N 2.87Å
97K90.4Very high83.5Confident86 Ų8692.1 Ų92.137%0.37448%0.478SS..Hα-helixtrans-66.9-42177.9-164.972.6-145152.70113.2L32 L93 V94 Y95 N99 E100 N101L32-K97 HydrophobicContact CD1-CB 4.08Å; L32-K97 HydrophobicContact CD1-CG 3.62Å; L32-K97 HydrophobicContact CD2-CB 4.48Å; L32-K97 HydrophobicContact CD2-CG 4.28Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 PolarHBondContact O-N 2.96Å; V94-K97 PolarHBondContact O-N 3.29Å; Y95-K97 VanDerWaalsContact C-N 3.28Å; Y95-K97 PolarHBondContact O-N 3.43Å; K97-N99 VanDerWaalsContact C-N 3.32Å; K97-E100 IonicContact NZ-OE2 3.97Å; K97-E100 PolarHBondContact NZ-OE2 3.45Å; K97-N101 PolarHBondContact O-N 3.41Å; K97-N101 VanDerWaalsContact O-N 3.11Å; K97-N101 PolarHBondContact O-OD1 3.26Å
98C87.4Confident81.8Confident22 Ų2295.1 Ų95.115%0.14950%0.498CS..Hα-helixtrans-65.7-39.7177-1690000110.8L32 V94 Y95 N101 C102L32-C98 HydrophobicContact CB-CB 4.38Å; V94-C98 WeakPolarHBondContact O-CB 3.47Å; V94-C98 PolarHBondContact O-N 2.97Å; Y95-C98 PolarHBondContact O-N 3.26Å; C98-N101 PolarHBondContact O-N 2.87Å; C98-C102 WeakPolarHBondContact O-CB 3.35Å; C98-C102 PolarHBondContact O-N 3.35Å; C98-C102 PolarHBondContact O-SG 3.06Å
99N85.5Confident80.2Confident86 Ų8692.7 Ų92.746%0.4649%0.493SS..Hα-helixtrans-66.7-43.3178.8-172.471000111.6Y95 D96 K97 N101 C102 A103Y95-N99 HydrophobicContact CE1-CB 4.47Å; Y95-N99 WeakPolarHBondContact O-CB 3.28Å; Y95-N99 PolarHBondContact O-N 3.5Å; D96-N99 PolarHBondContact O-N 3Å; K97-N99 VanDerWaalsContact C-N 3.32Å; N99-N101 VanDerWaalsContact C-N 3.33Å; N99-N101 PolarHBondContact O-N 3.32Å; N99-C102 CarbonylContact O-C 3.59Å; N99-C102 PolarHBondContact O-N 3.05Å; N99-A103 WeakPolarHBondContact O-CB 3.47Å; N99-A103 PolarHBondContact O-N 3.15Å
100E86.6Confident78.4Confident118 Ų11889.8 Ų89.855%0.55149%0.489SS*.Hα-helixtrans-56.3-45.8171.1-75.7173.5-177.300111.9D96 K97 C102 A103D96-E100 WeakPolarHBondContact O-CG 3.25Å; D96-E100 PolarHBondContact O-N 2.87Å; K97-E100 IonicContact NZ-OE2 3.97Å; K97-E100 PolarHBondContact NZ-OE2 3.45Å; E100-C102 VanDerWaalsContact C-N 3.29Å; E100-C102 PolarHBondContact O-N 2.99Å; E100-A103 WeakPolarHBondContact O-CB 3.35Å; E100-A103 PolarHBondContact O-N 3.34Å
101N81.3Confident76.7Confident67 Ų6792.1 Ų92.136%0.35850%0.501SS..Hα-helixtrans-70.3-25.7-179.7-72.610.1000113V27 T29 K97 C98 N99V27-N101 PolarHBondContact O-ND2 3.25Å; T29-N101 HydrophobicContact CG2-CB 4.36Å; T29-N101 WeakPolarHBondContact OG1-CB 3.35Å; T29-N101 PolarHBondContact OG1-ND2 2.84Å; K97-N101 PolarHBondContact O-N 3.41Å; K97-N101 VanDerWaalsContact O-N 3.11Å; K97-N101 PolarHBondContact O-OD1 3.26Å; C98-N101 PolarHBondContact O-N 2.87Å; N99-N101 VanDerWaalsContact C-N 3.33Å; N99-N101 PolarHBondContact O-N 3.32Å
102C69.7Low75.1Confident39 Ų3996.9 Ų96.926%0.26452%0.523SS..Hα-helixtrans-95.5-1.4178.1-68.80000113.5T29 C98 N99 E100 G104 L105T29-C102 VanDerWaalsContact CG2-SG 3.57Å; C98-C102 WeakPolarHBondContact O-CB 3.35Å; C98-C102 PolarHBondContact O-N 3.35Å; C98-C102 PolarHBondContact O-SG 3.06Å; N99-C102 CarbonylContact O-C 3.59Å; N99-C102 PolarHBondContact O-N 3.05Å; E100-C102 VanDerWaalsContact C-N 3.29Å; E100-C102 PolarHBondContact O-N 2.99Å; C102-G104 PolarHBondContact O-N 2.96Å; C102-L105 PolarHBondContact O-N 3.41Å
103A64.4Low73.4Confident83 Ų8394.2 Ų94.269%0.68652%0.521SS*.THydrogen-bonded Turntrans-63.4-1.9-173.600000115.2N99 E100N99-A103 WeakPolarHBondContact O-CB 3.47Å; N99-A103 PolarHBondContact O-N 3.15Å; E100-A103 WeakPolarHBondContact O-CB 3.35Å; E100-A103 PolarHBondContact O-N 3.34Å
104G59.7Low71.8Confident80 Ų8093.7 Ų93.783%0.82552%0.517SS*.THydrogen-bonded Turntrans-111.51.6170.600000114.9C102C102-G104 PolarHBondContact O-N 2.96Å
105L60.5Low69.8Low127 Ų12798.3 Ų98.367%0.66555%0.548SS*.SBendtrans-99.6119.3172.7-64.9171.8000107.5C102C102-L105 PolarHBondContact O-N 3.41Å
106D52.3Low67.9Low154 Ų154101.1 Ų101.182%0.82456%0.559SS**PPolyproline II helixtrans-55.7122.5178.4-128.9-10.1000108.7V108D106-V108 PolarHBondContact O-N 3.29Å
107P57.9Low66Low109 Ų109104.4 Ų104.471%0.70858%0.581SS**PPolyproline II helixtrans-61.7117-178.122.3-30.1000108.5P109P107-P109 VanDerWaalsContact O-CD 3.24Å; P107-P109 WeakPolarHBondContact O-CD 3.41Å; P107-P109 VanDerWaalsContact O-N 3.13Å
108V62.5Low64Low90 Ų90107.7 Ų107.755%0.54560%0.598SS.*PPolyproline II helixtrans-59.2118.3171.6177.20000106.8D106 I110 Q112 L113D106-V108 PolarHBondContact O-N 3.29Å; V108-I110 PolarHBondContact O-N 3.45Å; V108-Q112 HydrophobicContact CG1-CB 3.99Å; V108-L113 HydrophobicContact CG1-CG 4.37Å
109P64Low62Low55 Ų55115.3 Ų115.336%0.35763%0.631SS.*PPolyproline II helixtrans-54.7137.8-178.2-23.531.4000110.5P107 E111 Q112P107-P109 VanDerWaalsContact O-CD 3.24Å; P107-P109 WeakPolarHBondContact O-CD 3.41Å; P107-P109 VanDerWaalsContact O-N 3.13Å; P109-E111 WeakPolarHBondContact CB-OE2 3.13Å; P109-E111 PolarHBondContact O-N 2.88Å; P109-E111 VanDerWaalsContact O-N 3.08Å; P109-Q112 HydrophobicContact CB-CG 4.33Å; P109-Q112 HydrophobicContact CG-CG 4.42Å; P109-Q112 WeakPolarHBondContact O-CB 3.47Å; P109-Q112 PolarHBondContact O-N 3.25Å
110I60.5Low59.8Low120 Ų120118.5 Ų118.562%0.61565%0.648SS**Hα-helixtrans-59.7-26-177.4-158.4164.2000111.5V108 Q112 L113 I114V108-I110 PolarHBondContact O-N 3.45Å; I110-Q112 VanDerWaalsContact C-N 3.25Å; I110-Q112 PolarHBondContact O-N 2.88Å; I110-L113 WeakPolarHBondContact O-CB 3.43Å; I110-L113 PolarHBondContact O-N 3.38Å; I110-L113 VanDerWaalsContact O-N 3.1Å; I110-I114 PolarHBondContact O-N 3.49Å
111E62.4Low58.1Low134 Ų134116.5 Ų116.563%0.62666%0.659SS**Hα-helixtrans-64.6-26.9174.7-5781.6-173.400112.8P109P109-E111 WeakPolarHBondContact CB-OE2 3.13Å; P109-E111 PolarHBondContact O-N 2.88Å; P109-E111 VanDerWaalsContact O-N 3.08Å
112Q62.2Low56.5Low144 Ų144118.3 Ų118.367%0.67368%0.677SS**Hα-helixtrans-83.3-14174.8-63.1-179.25.400112.9V108 P109 I110V108-Q112 HydrophobicContact CG1-CB 3.99Å; P109-Q112 HydrophobicContact CB-CG 4.33Å; P109-Q112 HydrophobicContact CG-CG 4.42Å; P109-Q112 WeakPolarHBondContact O-CB 3.47Å; P109-Q112 PolarHBondContact O-N 3.25Å; I110-Q112 VanDerWaalsContact C-N 3.25Å; I110-Q112 PolarHBondContact O-N 2.88Å
113L61.6Low55.5Low119 Ų119126 Ų12662%0.62371%0.706SS**Hα-helixtrans-91-15.6177.1-75.5155.7000112.5V108 I110 P115V108-L113 HydrophobicContact CG1-CG 4.37Å; I110-L113 WeakPolarHBondContact O-CB 3.43Å; I110-L113 PolarHBondContact O-N 3.38Å; I110-L113 VanDerWaalsContact O-N 3.1Å; L113-P115 VanDerWaalsContact O-CD 3.29Å; L113-P115 WeakPolarHBondContact O-CD 3.41Å
114I59.9Low54.7Low112 Ų112128.5 Ų128.557%0.57470%0.703SS**SBendtrans-80.9113.2169.5-58.7170.3000106.6I110 Y116I110-I114 PolarHBondContact O-N 3.49Å; I114-Y116 PolarHBondContact O-N 3.01Å
115P53.5Low54Low110 Ų110132.2 Ų132.271%0.71470%0.704SS**  trans-58.8115.5173-20.333.5000108.5L113 V117L113-P115 VanDerWaalsContact O-CD 3.29Å; L113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-V117 PolarHBondContact O-N 2.9Å
116Y50.5Low53.4Low204 Ų204131.7 Ų131.780%0.870%0.702SS**  trans-66.5108.7170.1-140.4-98.6000106.3I114 E118I114-Y116 PolarHBondContact O-N 3.01Å; Y116-E118 HydrophobicContact CD1-CG 4.01Å; Y116-E118 PolarHBondContact O-N 3.23Å
117V54.1Low53.4Low133 Ų133133.6 Ų133.681%0.80670%0.698SS**  trans-74.882.4172-174.40000105.9P115 E119P115-V117 PolarHBondContact O-N 2.9Å; V117-E119 PolarHBondContact O-N 3.03Å
118E46.9Very low53.1Low155 Ų155131 Ų13172%0.72469%0.691SS**  trans-67.7116.1153.4-68.7-139.3145.900106.2Y116 D120Y116-E118 HydrophobicContact CD1-CG 4.01Å; Y116-E118 PolarHBondContact O-N 3.23Å; E118-D120 PolarHBondContact O-N 3.28Å
119E46.9Very low52.5Low183 Ų183129.6 Ų129.686%0.85569%0.689SS**SBendtrans-63.473167.6-172.6-175.216100108.2V117V117-E119 PolarHBondContact O-N 3.03Å
120D39.4Very low52Low152 Ų152128.4 Ų128.481%0.81368%0.683SS**SBendtrans-166.5118.8152.6-101.1-37.4000110.2E118 S122E118-D120 PolarHBondContact O-N 3.28Å; D120-S122 PolarHBondContact O-N 3.47Å; D120-S122 VanDerWaalsContact O-N 3.11Å
121G49.2Very low51.7Low76 Ų76125.3 Ų125.378%0.78467%0.672SS**  trans-63.6112.8-17400000111.9
122S49.2Very low51.4Low105 Ų105126.1 Ų126.173%0.73468%0.676SS**  trans-165107.1152.4-88.30000113.2D120D120-S122 PolarHBondContact O-N 3.47Å; D120-S122 VanDerWaalsContact O-N 3.11Å
123K48.3Very low51.2Low200 Ų200124.7 Ų124.787%0.8767%0.673SS**  trans58.474.8145-53.7179.9-177.7178.10117.6
124H46.8Very low51.2Low137 Ų137127.7 Ų127.763%0.63468%0.676SS**  trans-159.172.7150.5-154.1-72.7000114.5
125D45.3Very low51.2Low157 Ų157128.5 Ų128.584%0.8468%0.675SS**  trans-127.862168.4-164.226.7000111.8
126D48.8Very low51.7Low117 Ų117125.7 Ų125.763%0.62666%0.661SS**SBendtrans-141.9-11.2172.8-153.520.1000115A130D126-A130 WeakPolarHBondContact O-CB 3.29Å; D126-A130 PolarHBondContact O-N 3.48Å
127R51.5Low52.6Low193 Ų193119.7 Ų119.773%0.72865%0.646SS**Hα-helixtrans-74.6-37.6-180-95.4176.9146.5147.9-10.6114.5S131R127-S131 WeakPolarHBondContact O-CB 3.44Å; R127-S131 PolarHBondContact O-N 3.3Å
128G51.7Low53.4Low56 Ų56119.5 Ų119.558%0.57764%0.636SS**Hα-helixtrans-71-49.4-177.700000111.6S131 Q132G128-S131 PolarHBondContact O-N 3.4Å; G128-Q132 WeakPolarHBondContact O-CB 3.44Å; G128-Q132 PolarHBondContact O-N 3.36Å
129A50.1Low54.6Low59 Ų59115.4 Ų115.449%0.48862%0.617SS.*Hα-helixtrans-63.8-43.3173.900000111.9S131 Q132 L133A129-S131 PolarHBondContact O-N 3.18Å; A129-Q132 PolarHBondContact O-N 2.9Å; A129-L133 WeakPolarHBondContact O-CB 3.28Å; A129-L133 PolarHBondContact O-N 3.22Å
130A53.8Low56Low30 Ų30115.6 Ų115.625%0.24861%0.61CS.*Hα-helixtrans-67.2-33.8176.900000112.9D126 R134D126-A130 WeakPolarHBondContact O-CB 3.29Å; D126-A130 PolarHBondContact O-N 3.48Å; A130-R134 WeakPolarHBondContact O-CB 3.18Å; A130-R134 WeakPolarHBondContact O-CD 3.43Å; A130-R134 WeakPolarHBondContact O-CG 3.5Å; A130-R134 PolarHBondContact O-N 3.41Å
131S54Low58Low55 Ų55116.4 Ų116.439%0.38560%0.602SS.*Hα-helixtrans-65.8-50.2174.4173.70000110.9R127 G128 A129 L133 R134 F135R127-S131 WeakPolarHBondContact O-CB 3.44Å; R127-S131 PolarHBondContact O-N 3.3Å; G128-S131 PolarHBondContact O-N 3.4Å; A129-S131 PolarHBondContact O-N 3.18Å; S131-L133 VanDerWaalsContact C-N 3.35Å; S131-L133 PolarHBondContact O-N 2.99Å; S131-R134 WeakPolarHBondContact O-CB 3.3Å; S131-R134 PolarHBondContact O-N 3.41Å; S131-F135 WeakPolarHBondContact O-CD2 3.29Å; S131-F135 PolarHBondContact O-N 2.99Å; S131-F135 WeakPolarHBondContact OG-CE2 3.34Å
132Q56.4Low59.5Low151 Ų151118.4 Ų118.471%0.70659%0.591SS**Hα-helixtrans-65.7-38179.5-160.917173.100112.1G128 A129 F135 A136G128-Q132 WeakPolarHBondContact O-CB 3.44Å; G128-Q132 PolarHBondContact O-N 3.36Å; A129-Q132 PolarHBondContact O-N 2.9Å; Q132-F135 PolarHBondContact O-N 2.94Å; Q132-A136 WeakPolarHBondContact O-CB 3.39Å; Q132-A136 PolarHBondContact O-N 2.95Å
133L56.4Low61.1Low114 Ų114118.2 Ų118.260%0.59758%0.58SS**Hα-helixtrans-65.8-40.5173.2-175.763.2000111.6A129 S131 A136 T137A129-L133 WeakPolarHBondContact O-CB 3.28Å; A129-L133 PolarHBondContact O-N 3.22Å; S131-L133 VanDerWaalsContact C-N 3.35Å; S131-L133 PolarHBondContact O-N 2.99Å; L133-A136 PolarHBondContact O-N 3.25Å; L133-T137 VanDerWaalsContact O-CG2 3.32Å; L133-T137 WeakPolarHBondContact O-CG2 3.46Å; L133-T137 PolarHBondContact O-N 3.44Å; L133-T137 PolarHBondContact O-OG1 2.89Å; L133-T137 VanDerWaalsContact O-OG1 3.1Å
134R62.5Low62.9Low183 Ų183114.6 Ų114.669%0.69157%0.568SS**Hα-helixtrans-60.3-49174.9-83.7173.2170.2-129.4-1.9111.4A130 S131 A136 T137 E138A130-R134 WeakPolarHBondContact O-CB 3.18Å; A130-R134 WeakPolarHBondContact O-CD 3.43Å; A130-R134 WeakPolarHBondContact O-CG 3.5Å; A130-R134 PolarHBondContact O-N 3.41Å; S131-R134 WeakPolarHBondContact O-CB 3.3Å; S131-R134 PolarHBondContact O-N 3.41Å; R134-A136 PolarHBondContact O-N 3.2Å; R134-T137 WeakPolarHBondContact CA-OG1 3.48Å; R134-T137 PolarHBondContact O-N 2.98Å; R134-T137 PolarHBondContact O-OG1 3.48Å; R134-E138 WeakPolarHBondContact O-CB 3.5Å; R134-E138 PolarHBondContact O-N 3.2Å
135F60.1Low65Low129 Ų129112.2 Ų112.257%0.56656%0.557SS**Hα-helixtrans-60.5-43.1176.4-74.6-65.5000112.4S131 Q132 T137 E138 E139S131-F135 WeakPolarHBondContact O-CD2 3.29Å; S131-F135 PolarHBondContact O-N 2.99Å; S131-F135 WeakPolarHBondContact OG-CE2 3.34Å; Q132-F135 PolarHBondContact O-N 2.94Å; F135-T137 VanDerWaalsContact C-N 3.35Å; F135-T137 PolarHBondContact O-N 2.91Å; F135-E138 PolarHBondContact O-N 3.29Å; F135-E139 PolarHBondContact O-N 3.43Å
136A63.8Low67.1Low50 Ų50109 Ų10941%0.41354%0.543SS..Hα-helixtrans-64.4-36.6176.100000112.9Q132 L133 R134 R140Q132-A136 WeakPolarHBondContact O-CB 3.39Å; Q132-A136 PolarHBondContact O-N 2.95Å; L133-A136 PolarHBondContact O-N 3.25Å; R134-A136 PolarHBondContact O-N 3.2Å; A136-R140 WeakPolarHBondContact O-CB 3.35Å; A136-R140 PolarHBondContact O-N 2.93Å; A136-R140 VanDerWaalsContact O-N 3.14Å
137T69.6Low69.1Low79 Ų79106.9 Ų106.949%0.48553%0.532SS..Hα-helixtrans-70.5-34.9175.853.20000112.9L133 R134 F135 R140 R141L133-T137 VanDerWaalsContact O-CG2 3.32Å; L133-T137 WeakPolarHBondContact O-CG2 3.46Å; L133-T137 PolarHBondContact O-N 3.44Å; L133-T137 PolarHBondContact O-OG1 2.89Å; L133-T137 VanDerWaalsContact O-OG1 3.1Å; R134-T137 WeakPolarHBondContact CA-OG1 3.48Å; R134-T137 PolarHBondContact O-N 2.98Å; R134-T137 PolarHBondContact O-OG1 3.48Å; F135-T137 VanDerWaalsContact C-N 3.35Å; F135-T137 PolarHBondContact O-N 2.91Å; T137-R140 PolarHBondContact O-N 3.38Å; T137-R141 WeakPolarHBondContact O-CB 3.33Å; T137-R141 PolarHBondContact O-N 2.94Å
138E71.1Confident71Confident128 Ų128105.1 Ų105.160%0.59853%0.529SS*.Hα-helixtrans-70.3-42.8179.1-165.6159-155.700111.3R134 F135 R140 R141 E142R134-E138 WeakPolarHBondContact O-CB 3.5Å; R134-E138 PolarHBondContact O-N 3.2Å; F135-E138 PolarHBondContact O-N 3.29Å; E138-R140 PolarHBondContact O-N 2.84Å; E138-R141 WeakPolarHBondContact O-CB 3.35Å; E138-R141 PolarHBondContact O-N 3.07Å; E138-E142 PolarHBondContact O-N 3.09Å
139E71.2Confident72.9Confident69 Ų69108.9 Ų108.932%0.32253%0.53SS..Hα-helixtrans-60-45.9172.2-177.5-178.1-162.900111.7R34 F135 R141 E142 I143R34-E139 IonicContact CZ-OE1 2.71Å; R34-E139 IonicContact CZ-OE2 2.76Å; R34-E139 IonicContact NH1-OE1 3.49Å; R34-E139 PolarHBondContact NH1-OE1 3.11Å; R34-E139 IonicContact NH1-OE2 3.6Å; R34-E139 PolarHBondContact NH1-OE2 3.32Å; R34-E139 IonicContact NH2-OE1 3.68Å; R34-E139 IonicContact NH2-OE2 3.49Å; R34-E139 PolarHBondContact NH2-OE2 3.49Å; F135-E139 PolarHBondContact O-N 3.43Å; E139-R141 PolarHBondContact O-N 3.28Å; E139-E142 PolarHBondContact O-N 3.19Å; E139-I143 HydrophobicContact CG-CD1 3.96Å; E139-I143 VanDerWaalsContact O-CG1 3.31Å; E139-I143 WeakPolarHBondContact O-CG1 3.48Å; E139-I143 PolarHBondContact O-N 3.29Å
140R76.6Confident74.9Confident187 Ų187111 Ų11171%0.70653%0.532SS*.Hα-helixtrans-61.6-35.6177.6-172.9176.2179-170.8-0.2111.8A136 T137 E138 M144A136-R140 WeakPolarHBondContact O-CB 3.35Å; A136-R140 PolarHBondContact O-N 2.93Å; A136-R140 VanDerWaalsContact O-N 3.14Å; T137-R140 PolarHBondContact O-N 3.38Å; E138-R140 PolarHBondContact O-N 2.84Å; R140-M144 WeakPolarHBondContact O-CB 3.4Å; R140-M144 PolarHBondContact O-N 2.88Å; R140-M144 VanDerWaalsContact O-N 3.12Å
141R81.8Confident76.7Confident169 Ų169116.1 Ų116.164%0.63855%0.549SS*.Hα-helixtrans-68.6-46.2175.8-176.5-175.9172.7176.83111.2T137 E138 E139 I143 M144 E145T137-R141 WeakPolarHBondContact O-CB 3.33Å; T137-R141 PolarHBondContact O-N 2.94Å; E138-R141 WeakPolarHBondContact O-CB 3.35Å; E138-R141 PolarHBondContact O-N 3.07Å; E139-R141 PolarHBondContact O-N 3.28Å; R141-I143 PolarHBondContact O-N 3.08Å; R141-M144 WeakPolarHBondContact O-CB 3.32Å; R141-M144 PolarHBondContact O-N 3.29Å; R141-M144 VanDerWaalsContact O-N 3.16Å; R141-E145 IonicContact CZ-OE1 3.82Å; R141-E145 IonicContact NE-OE1 3.12Å; R141-E145 PolarHBondContact NE-OE1 2.96Å; R141-E145 VanDerWaalsContact NE-OE1 3.12Å; R141-E145 IonicContact NH2-OE1 2.81Å; R141-E145 WeakPolarHBondContact O-CG 3.46Å; R141-E145 PolarHBondContact O-N 3.48Å
142E80.1Confident78.7Confident118 Ų118119 Ų11955%0.55156%0.556SS**Hα-helixtrans-60.8-45.8178.5-169.8179.3-170.300111.5E138 E139 M144 E145 V146E138-E142 PolarHBondContact O-N 3.09Å; E139-E142 PolarHBondContact O-N 3.19Å; E142-M144 VanDerWaalsContact C-N 3.28Å; E142-M144 PolarHBondContact O-N 3.08Å; E142-E145 PolarHBondContact O-N 2.63Å; E142-V146 WeakPolarHBondContact O-CG2 3.45Å; E142-V146 PolarHBondContact O-N 3.46Å
143I82.4Confident80.5Confident102 Ų102118.1 Ų118.152%0.52355%0.55SS.*Hα-helixtrans-58-42.6174.8-68.4169.4000110.9E139 R141 N147E139-I143 HydrophobicContact CG-CD1 3.96Å; E139-I143 VanDerWaalsContact O-CG1 3.31Å; E139-I143 WeakPolarHBondContact O-CG1 3.48Å; E139-I143 PolarHBondContact O-N 3.29Å; R141-I143 PolarHBondContact O-N 3.08Å; I143-N147 VanDerWaalsContact O-CB 3.27Å; I143-N147 WeakPolarHBondContact O-CB 3.33Å; I143-N147 PolarHBondContact O-N 2.96Å
144M86.8Confident82.3Confident124 Ų124117.2 Ų117.261%0.61155%0.546SS*.Hα-helixtrans-65.3-41.6178.3-170.3-177-60.600112R140 R141 E142 N147 K148R140-M144 WeakPolarHBondContact O-CB 3.4Å; R140-M144 PolarHBondContact O-N 2.88Å; R140-M144 VanDerWaalsContact O-N 3.12Å; R141-M144 WeakPolarHBondContact O-CB 3.32Å; R141-M144 PolarHBondContact O-N 3.29Å; R141-M144 VanDerWaalsContact O-N 3.16Å; E142-M144 VanDerWaalsContact C-N 3.28Å; E142-M144 PolarHBondContact O-N 3.08Å; M144-N147 PolarHBondContact O-N 3Å; M144-K148 WeakPolarHBondContact O-CB 3.48Å; M144-K148 PolarHBondContact O-N 3.36Å
145E90.5Very high83.9Confident87 Ų87114.4 Ų114.441%0.40754%0.541SS..Hα-helixtrans-65.1-43.5177.3-74.6-175.3-166.800111.9R141 E142 K148 K149R141-E145 IonicContact CZ-OE1 3.82Å; R141-E145 IonicContact NE-OE1 3.12Å; R141-E145 PolarHBondContact NE-OE1 2.96Å; R141-E145 VanDerWaalsContact NE-OE1 3.12Å; R141-E145 IonicContact NH2-OE1 2.81Å; R141-E145 WeakPolarHBondContact O-CG 3.46Å; R141-E145 PolarHBondContact O-N 3.48Å; E142-E145 PolarHBondContact O-N 2.63Å; E145-K148 PolarHBondContact O-N 2.92Å; E145-K149 WeakPolarHBondContact O-CG 3.33Å; E145-K149 PolarHBondContact O-N 3.46Å
146V89.4Confident85.6Confident88 Ų88112.2 Ų112.253%0.53353%0.532SS..Hα-helixtrans-62.6-45.3174.4172.70000110.7E142 K148 K149 L150E142-V146 WeakPolarHBondContact O-CG2 3.45Å; E142-V146 PolarHBondContact O-N 3.46Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.07Å; V146-K149 PolarHBondContact O-N 3.48Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 PolarHBondContact O-N 3.4Å
147N90.4Very high87.1Confident74 Ų74114.8 Ų114.840%0.39654%0.538SS..Hα-helixtrans-61.8-39.7178.4-162.6-85.4000111.8I143 M144 L150 K151I143-N147 VanDerWaalsContact O-CB 3.27Å; I143-N147 WeakPolarHBondContact O-CB 3.33Å; I143-N147 PolarHBondContact O-N 2.96Å; M144-N147 PolarHBondContact O-N 3Å; N147-L150 PolarHBondContact O-N 2.87Å; N147-K151 WeakPolarHBondContact O-CG 3.49Å; N147-K151 PolarHBondContact O-N 3.05Å; N147-K151 WeakPolarHBondContact OD1-CE 3.43Å; N147-K151 PolarHBondContact OD1-NZ 2.98Å
148K93Very high88.4Confident155 Ų155117.6 Ų117.667%0.67454%0.544SS*.Hα-helixtrans-62.6-47.5175.5-174.4179.3179.5-178.70111.7M144 E145 V146 L150 K151 Q152M144-K148 WeakPolarHBondContact O-CB 3.48Å; M144-K148 PolarHBondContact O-N 3.36Å; E145-K148 PolarHBondContact O-N 2.92Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.07Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 2.97Å; K148-K151 PolarHBondContact O-N 3.27Å; K148-Q152 PolarHBondContact O-N 2.96Å
149K90.1Very high89.6Confident136 Ų136116.9 Ų116.959%0.59154%0.54SS*.Hα-helixtrans-59.7-42.5175.8-73174.7-178.2171.70111.4E145 V146 Q152 K153E145-K149 WeakPolarHBondContact O-CG 3.33Å; E145-K149 PolarHBondContact O-N 3.46Å; V146-K149 PolarHBondContact O-N 3.48Å; K149-Q152 PolarHBondContact O-N 3.24Å; K149-K153 WeakPolarHBondContact O-CG 3.21Å; K149-K153 PolarHBondContact O-N 3.28Å
150L92.4Very high90.8Very high102 Ų102117.7 Ų117.753%0.53455%0.546SS..Hα-helixtrans-62.6-45.6178.4-170.568.9000111.9V146 N147 K148 Q152 K153 N154V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 PolarHBondContact O-N 3.4Å; N147-L150 PolarHBondContact O-N 2.87Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 2.97Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 3.41Å; L150-K153 PolarHBondContact O-N 2.81Å; L150-N154 PolarHBondContact O-N 3.46Å
151K93.2Very high91.7Very high139 Ų139113.2 Ų113.260%0.60453%0.534SS*.Hα-helixtrans-59.9-43.8175.6-77.4175.6175.7168.30111.9N147 K148 K153 N154 Q155N147-K151 WeakPolarHBondContact O-CG 3.49Å; N147-K151 PolarHBondContact O-N 3.05Å; N147-K151 WeakPolarHBondContact OD1-CE 3.43Å; N147-K151 PolarHBondContact OD1-NZ 2.98Å; K148-K151 PolarHBondContact O-N 3.27Å; K151-K153 PolarHBondContact O-N 3.31Å; K151-N154 PolarHBondContact O-N 2.98Å; K151-Q155 PolarHBondContact O-N 2.8Å
152Q94.1Very high92.4Very high115 Ų115108.1 Ų108.154%0.53752%0.52SS..Hα-helixtrans-62.3-43.6177.6-169.9179.514.400111.8K148 K149 L150 Q155 Q156K148-Q152 PolarHBondContact O-N 2.96Å; K149-Q152 PolarHBondContact O-N 3.24Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-Q152 PolarHBondContact O-N 3.41Å; Q152-Q155 PolarHBondContact O-N 2.87Å; Q152-Q156 WeakPolarHBondContact O-CG 3.5Å; Q152-Q156 PolarHBondContact O-N 3.5Å
153K94.5Very high93.2Very high133 Ų133108.4 Ų108.458%0.57852%0.521SS*.Hα-helixtrans-63.3-42.5176.3-72.6-70.8-178.7179.60112.4K149 L150 K151 Q155 Q156 L157K149-K153 WeakPolarHBondContact O-CG 3.21Å; K149-K153 PolarHBondContact O-N 3.28Å; L150-K153 PolarHBondContact O-N 2.81Å; K151-K153 PolarHBondContact O-N 3.31Å; K153-Q155 VanDerWaalsContact C-N 3.3Å; K153-Q155 PolarHBondContact O-N 2.96Å; K153-Q156 PolarHBondContact O-N 3.28Å; K153-L157 WeakPolarHBondContact O-CG 3.42Å; K153-L157 PolarHBondContact O-N 3.48Å
154N95.6Very high93.8Very high94 Ų94108.1 Ų108.150%0.50352%0.52SS..Hα-helixtrans-61.5-38.9174.3-86.5-27.6000112.4L150 K151 L157 K158L150-N154 PolarHBondContact O-N 3.46Å; K151-N154 PolarHBondContact O-N 2.98Å; N154-L157 PolarHBondContact O-N 3.32Å; N154-K158 PolarHBondContact O-N 3.37Å
155Q95.4Very high94.3Very high125 Ų125108.5 Ų108.558%0.58452%0.515SS*.Hα-helixtrans-66.8-40.4177.1-168.1169.89.900112.1K151 Q152 K153 K158 Q159K151-Q155 PolarHBondContact O-N 2.8Å; Q152-Q155 PolarHBondContact O-N 2.87Å; K153-Q155 VanDerWaalsContact C-N 3.3Å; K153-Q155 PolarHBondContact O-N 2.96Å; Q155-K158 PolarHBondContact O-N 3.34Å; Q155-Q159 PolarHBondContact O-N 2.96Å
156Q96Very high94.5Very high83 Ų83109.3 Ų109.339%0.38852%0.522SS..Hα-helixtrans-61.6-45.9173.1-73179.9-26.600111.8Q152 K153 K158 Q159 I160Q152-Q156 WeakPolarHBondContact O-CG 3.5Å; Q152-Q156 PolarHBondContact O-N 3.5Å; K153-Q156 PolarHBondContact O-N 3.28Å; Q156-K158 VanDerWaalsContact C-N 3.27Å; Q156-K158 PolarHBondContact O-N 2.95Å; Q156-Q159 PolarHBondContact O-N 3.3Å; Q156-I160 WeakPolarHBondContact O-CG1 3.25Å; Q156-I160 PolarHBondContact O-N 3.28Å
157L95.6Very high94.9Very high104 Ų104109.8 Ų109.855%0.54552%0.521SS..Hα-helixtrans-59.4-40176.5-73.8173.8000111.8K153 N154 I160 M161K153-L157 WeakPolarHBondContact O-CG 3.42Å; K153-L157 PolarHBondContact O-N 3.48Å; N154-L157 PolarHBondContact O-N 3.32Å; L157-I160 PolarHBondContact O-N 2.9Å; L157-M161 VanDerWaalsContact O-CB 3.29Å; L157-M161 WeakPolarHBondContact O-CB 3.38Å; L157-M161 PolarHBondContact O-N 3.45Å
158K95.9Very high95.1Very high137 Ų137111 Ų11160%0.59653%0.526SS*.Hα-helixtrans-62.4-45.4176.1-168174.5-179.1175.70111.7N154 Q155 Q156 I160 M161 D162N154-K158 PolarHBondContact O-N 3.37Å; Q155-K158 PolarHBondContact O-N 3.34Å; Q156-K158 VanDerWaalsContact C-N 3.27Å; Q156-K158 PolarHBondContact O-N 2.95Å; K158-I160 PolarHBondContact O-N 3.49Å; K158-M161 WeakPolarHBondContact O-CB 3.32Å; K158-M161 PolarHBondContact O-N 3.07Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 2.89Å
159Q96.4Very high95.2Very high113 Ų113112.5 Ų112.553%0.52853%0.528SS..Hα-helixtrans-60.5-45176.3-73.8174.8-13.700112.3Q155 Q156 M161 D162 Q163Q155-Q159 PolarHBondContact O-N 2.96Å; Q156-Q159 PolarHBondContact O-N 3.3Å; Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 2.95Å; Q159-D162 PolarHBondContact O-N 3.4Å; Q159-Q163 WeakPolarHBondContact O-CG 3.36Å; Q159-Q163 PolarHBondContact O-N 3.01Å
160I96.8Very high95.4Very high86 Ų86109.9 Ų109.944%0.44152%0.52SS..Hα-helixtrans-62.1-43.7176.8-66.5167.2000110.2Q156 L157 K158 D162 Q163 L164Q156-I160 WeakPolarHBondContact O-CG1 3.25Å; Q156-I160 PolarHBondContact O-N 3.28Å; L157-I160 PolarHBondContact O-N 2.9Å; K158-I160 PolarHBondContact O-N 3.49Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 2.86Å; I160-Q163 PolarHBondContact O-N 2.63Å; I160-L164 HydrophobicContact CG2-CD1 4.03Å; I160-L164 HydrophobicContact CG2-CG 4.36Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.42Å; I160-L164 PolarHBondContact O-N 3.25Å
161M96.3Very high95.5Very high93 Ų93109.2 Ų109.246%0.45852%0.516SS..Hα-helixtrans-60.8-40.3178.4-165-171.9-6700111.6L157 K158 Q159 L164 R165L157-M161 VanDerWaalsContact O-CB 3.29Å; L157-M161 WeakPolarHBondContact O-CB 3.38Å; L157-M161 PolarHBondContact O-N 3.45Å; K158-M161 WeakPolarHBondContact O-CB 3.32Å; K158-M161 PolarHBondContact O-N 3.07Å; Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 2.95Å; M161-L164 PolarHBondContact O-N 3.44Å; M161-R165 VanDerWaalsContact CG-NH1 3.29Å; M161-R165 WeakPolarHBondContact O-CG 3.41Å; M161-R165 PolarHBondContact O-N 3.41Å; M161-R165 VanDerWaalsContact SD-CZ 3.52Å; M161-R165 PolarHBondContact SD-NH1 3.38Å; M161-R165 PolarHBondContact SD-NH2 2.82Å
162D96.5Very high95.5Very high62 Ų62107 Ų10733%0.33251%0.511SS..Hα-helixtrans-71.7-37.6177.9-65.5-23.1000111.9K158 Q159 I160 R165 N166K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 2.89Å; Q159-D162 PolarHBondContact O-N 3.4Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 2.86Å; D162-R165 WeakPolarHBondContact O-CB 3.44Å; D162-R165 PolarHBondContact O-N 3.48Å; D162-R165 IonicContact OD1-CZ 2.86Å; D162-R165 IonicContact OD1-NH1 3.48Å; D162-R165 PolarHBondContact OD1-NH1 2.86Å; D162-N166 VanDerWaalsContact O-CG 3.31Å; D162-N166 PolarHBondContact O-N 3.48Å; D162-N166 PolarHBondContact O-ND2 2.93Å
163Q95.6Very high95.5Very high125 Ų125103.4 Ų103.458%0.58450%0.501SS*.Hα-helixtrans-61.3-44.8171.2-74.2175.6-15.400111.9Q159 I160 R165 N166 L167Q159-Q163 WeakPolarHBondContact O-CG 3.36Å; Q159-Q163 PolarHBondContact O-N 3.01Å; I160-Q163 PolarHBondContact O-N 2.63Å; Q163-R165 VanDerWaalsContact C-N 3.33Å; Q163-R165 PolarHBondContact O-N 3.4Å; Q163-N166 PolarHBondContact O-N 3.27Å; Q163-L167 WeakPolarHBondContact O-CG 3.38Å; Q163-L167 PolarHBondContact O-N 3.34Å
164L96.2Very high95.4Very high96 Ų96102.7 Ų102.750%0.50350%0.501SS..Hα-helixtrans-62.8-40.7176.2-72173.1000111.4I160 M161 L167 I168I160-L164 HydrophobicContact CG2-CD1 4.03Å; I160-L164 HydrophobicContact CG2-CG 4.36Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.42Å; I160-L164 PolarHBondContact O-N 3.25Å; M161-L164 PolarHBondContact O-N 3.44Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-I168 WeakPolarHBondContact O-CD1 3.42Å; L164-I168 WeakPolarHBondContact O-CG1 3.19Å; L164-I168 PolarHBondContact O-N 2.89Å
165R96.1Very high95Very high132 Ų132102.9 Ų102.950%0.49850%0.502SS..Hα-helixtrans-59.4-45.9174.1-77.2178.1-178110.17.9112M161 D162 Q163 I168 W169M161-R165 VanDerWaalsContact CG-NH1 3.29Å; M161-R165 WeakPolarHBondContact O-CG 3.41Å; M161-R165 PolarHBondContact O-N 3.41Å; M161-R165 VanDerWaalsContact SD-CZ 3.52Å; M161-R165 PolarHBondContact SD-NH1 3.38Å; M161-R165 PolarHBondContact SD-NH2 2.82Å; D162-R165 WeakPolarHBondContact O-CB 3.44Å; D162-R165 PolarHBondContact O-N 3.48Å; D162-R165 IonicContact OD1-CZ 2.86Å; D162-R165 IonicContact OD1-NH1 3.48Å; D162-R165 PolarHBondContact OD1-NH1 2.86Å; Q163-R165 VanDerWaalsContact C-N 3.33Å; Q163-R165 PolarHBondContact O-N 3.4Å; R165-I168 PolarHBondContact O-N 3.15Å; R165-W169 WeakPolarHBondContact O-CB 3.34Å; R165-W169 PolarHBondContact O-N 3.04Å
166N96.1Very high94.5Very high103 Ų103100.1 Ų100.155%0.55150%0.5SS*.Hα-helixtrans-63.6-45.2179-68.9-18000111.4D162 Q163 I168 W169 D170D162-N166 VanDerWaalsContact O-CG 3.31Å; D162-N166 PolarHBondContact O-N 3.48Å; D162-N166 PolarHBondContact O-ND2 2.93Å; Q163-N166 PolarHBondContact O-N 3.27Å; N166-I168 VanDerWaalsContact C-N 3.34Å; N166-I168 PolarHBondContact O-N 2.89Å; N166-W169 CarbonylContact O-C 3.52Å; N166-W169 WeakPolarHBondContact O-CA 3.47Å; N166-W169 WeakPolarHBondContact O-CB 3.42Å; N166-W169 PolarHBondContact O-N 3.46Å; N166-W169 VanDerWaalsContact O-N 3.07Å; N166-D170 VanDerWaalsContact O-CG 3.28Å; N166-D170 PolarHBondContact O-N 2.92Å
167L96.1Very high93.8Very high99 Ų99103.4 Ų103.452%0.51852%0.518SS..Hα-helixtrans-60.3-43.1176.7-73.2173.6000112.3Q163 L164 W169 D170 I171Q163-L167 WeakPolarHBondContact O-CG 3.38Å; Q163-L167 PolarHBondContact O-N 3.34Å; L164-L167 PolarHBondContact O-N 3.4Å; L167-W169 VanDerWaalsContact C-N 3.27Å; L167-W169 PolarHBondContact O-N 3.24Å; L167-D170 PolarHBondContact O-N 3.49Å; L167-I171 WeakPolarHBondContact O-CB 3.47Å; L167-I171 WeakPolarHBondContact O-CD1 3.37Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 3.42Å
168I94.9Very high92.5Very high98 Ų98108.9 Ų108.950%0.50353%0.531SS..Hα-helixtrans-60.9-42.1175-68.8163.6000110.1L164 R165 N166 I171 N172L164-I168 WeakPolarHBondContact O-CD1 3.42Å; L164-I168 WeakPolarHBondContact O-CG1 3.19Å; L164-I168 PolarHBondContact O-N 2.89Å; R165-I168 PolarHBondContact O-N 3.15Å; N166-I168 VanDerWaalsContact C-N 3.34Å; N166-I168 PolarHBondContact O-N 2.89Å; I168-I171 PolarHBondContact O-N 3.01Å; I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 3.44Å; I168-N172 PolarHBondContact O-ND2 3.04Å
169W95.4Very high90.4Very high188 Ų188111.9 Ų111.971%0.71255%0.553SS**Hα-helixtrans-64.2-45.8178.6-156.475.4000112R165 N166 L167 I171 N172 A173R165-W169 WeakPolarHBondContact O-CB 3.34Å; R165-W169 PolarHBondContact O-N 3.04Å; N166-W169 CarbonylContact O-C 3.52Å; N166-W169 WeakPolarHBondContact O-CA 3.47Å; N166-W169 WeakPolarHBondContact O-CB 3.42Å; N166-W169 PolarHBondContact O-N 3.46Å; N166-W169 VanDerWaalsContact O-N 3.07Å; L167-W169 VanDerWaalsContact C-N 3.27Å; L167-W169 PolarHBondContact O-N 3.24Å; W169-I171 PolarHBondContact O-N 3.31Å; W169-N172 PolarHBondContact O-N 3.49Å; W169-A173 WeakPolarHBondContact O-CB 3.38Å; W169-A173 PolarHBondContact O-N 3.17Å
170D95.2Very high90.1Very high81 Ų81111.8 Ų111.843%0.43356%0.555SS.*Hα-helixtrans-61.5-43.6176.8-67.1-21.9000111.5N166 L167 A173 M174N166-D170 VanDerWaalsContact O-CG 3.28Å; N166-D170 PolarHBondContact O-N 2.92Å; L167-D170 PolarHBondContact O-N 3.49Å; D170-A173 PolarHBondContact O-N 3.22Å; D170-M174 WeakPolarHBondContact O-CB 3.35Å; D170-M174 WeakPolarHBondContact O-CG 3.26Å; D170-M174 PolarHBondContact O-N 2.7Å
171I94.6Very high89.7Confident87 Ų87113.2 Ų113.245%0.44656%0.561SS.*Hα-helixtrans-61.6-48.4175.6-69.7165.3000110.4L167 I168 W169 A173 M174 L175L167-I171 WeakPolarHBondContact O-CB 3.47Å; L167-I171 WeakPolarHBondContact O-CD1 3.37Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 3.42Å; I168-I171 PolarHBondContact O-N 3.01Å; W169-I171 PolarHBondContact O-N 3.31Å; I171-A173 VanDerWaalsContact C-N 3.32Å; I171-A173 PolarHBondContact O-N 3.3Å; I171-M174 HydrophobicContact CG1-CE 4.46Å; I171-M174 PolarHBondContact O-N 2.89Å; I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.32Å; I171-L175 WeakPolarHBondContact O-CB 3.46Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 2.99Å; I171-L175 PolarHBondContact O-N 3.15Å
172N92.7Very high89.4Confident93 Ų93114.3 Ų114.350%0.49757%0.566SS.*Hα-helixtrans-62.5-39.7179.6-72.5-16.8000111.7I168 W169 A176I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 3.44Å; I168-N172 PolarHBondContact O-ND2 3.04Å; W169-N172 PolarHBondContact O-N 3.49Å; N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 3.49Å
173A93.4Very high89Confident40 Ų40117.4 Ų117.433%0.33158%0.58SS.*Hα-helixtrans-65.1-45.4175.300000112W169 D170 I171 L175 A176 M177W169-A173 WeakPolarHBondContact O-CB 3.38Å; W169-A173 PolarHBondContact O-N 3.17Å; D170-A173 PolarHBondContact O-N 3.22Å; I171-A173 VanDerWaalsContact C-N 3.32Å; I171-A173 PolarHBondContact O-N 3.3Å; A173-L175 PolarHBondContact O-N 3.45Å; A173-A176 PolarHBondContact O-N 3.49Å; A173-M177 WeakPolarHBondContact O-CG 3.21Å; A173-M177 PolarHBondContact O-N 3.49Å; A173-M177 VanDerWaalsContact O-N 3.15Å
174M91.7Very high88.5Confident117 Ų117116.9 Ų116.958%0.57658%0.58SS**Hα-helixtrans-63.5-39.3176.4-75.9-171.6-71.300112.7D170 I171D170-M174 WeakPolarHBondContact O-CB 3.35Å; D170-M174 WeakPolarHBondContact O-CG 3.26Å; D170-M174 PolarHBondContact O-N 2.7Å; I171-M174 HydrophobicContact CG1-CE 4.46Å; I171-M174 PolarHBondContact O-N 2.89Å
175L89Confident88Confident99 Ų99118.3 Ų118.352%0.51859%0.585SS.*Hα-helixtrans-66.5-39175.7-72.8173.5000111.9I171 A173 M177 R178I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.32Å; I171-L175 WeakPolarHBondContact O-CB 3.46Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 2.99Å; I171-L175 PolarHBondContact O-N 3.15Å; A173-L175 PolarHBondContact O-N 3.45Å; L175-M177 VanDerWaalsContact C-N 3.35Å; L175-M177 PolarHBondContact O-N 3.05Å; L175-R178 PolarHBondContact O-N 3.13Å
176A84.1Confident87.5Confident66 Ų66117.3 Ų117.355%0.54559%0.591SS.*Hα-helixtrans-67.3-31.8178.300000113.3N172 A173 R178N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 3.49Å; A173-A176 PolarHBondContact O-N 3.49Å; A176-R178 VanDerWaalsContact C-N 3.29Å; A176-R178 PolarHBondContact O-N 3.29Å
177M80.4Confident86.8Confident153 Ų153118.4 Ų118.475%0.75459%0.594SS**THydrogen-bonded Turntrans-77.2-11.2176.2-68.7-170.8-64.500114.2A173 L175A173-M177 WeakPolarHBondContact O-CG 3.21Å; A173-M177 PolarHBondContact O-N 3.49Å; A173-M177 VanDerWaalsContact O-N 3.15Å; L175-M177 VanDerWaalsContact C-N 3.35Å; L175-M177 PolarHBondContact O-N 3.05Å
178R69.9Low86Confident218 Ų218120 Ų12082%0.82360%0.601SS**THydrogen-bonded Turntrans-95.9-8.7-179.7-173.1171166.3-174.4-4.3113L175 A176L175-R178 PolarHBondContact O-N 3.13Å; A176-R178 VanDerWaalsContact C-N 3.29Å; A176-R178 PolarHBondContact O-N 3.29Å
179N50.9Low85.2Confident200 Ų200122 Ų122100%1.0761%0.61SS**  trans-99.80169.5-67.5-23.2000110.3

Retrieved 179 of 179 residues in 349.6 ms (Link to these results)