G3QZQ5_GORGO Loading...

Transcription initiation factor TFIID subunit 12

The TFIID basal transcription factor complex plays a major role in the initiation of RNA polymerase II (Pol II)-dependent transcription. TFIID recognizes and binds promoters with or without a TATA box via its subunit TBP, a TATA-box-binding protein, and promotes assembly of the pre-initiation complex (PIC). The TFIID complex consists of TBP and TBP-associated factors (TAFs), including TAF1, TAF2, TAF3, TAF4, TAF5, TAF6, TAF7, TAF8, TAF9, TAF10, TAF11, TAF12 and TAF13. Component of the TATA-binding protein-free TAF complex (TFTC), the PCAF histone acetylase complex and the STAGA transcription coactivator-HAT complex.

AlphaFold DB , UniProt , Accession G3QZQ5, Species GORGO (Gorilla gorilla gorilla, Western lowland gorilla), Gene TAF12, Length 161 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
1M47.2Very low45.8Very low229 Ų229148.9 Ų148.9100%1.12884%0.841SS**  0135.20-110.677.1157.300108.8
2N39.5Very low46.1Very low149 Ų149151.4 Ų151.480%0.79785%0.849SS**  trans82129171-49.4-12.4000116
3Q42.5Very low45.8Very low173 Ų173146.2 Ų146.281%0.80883%0.829SS**  cis-168127.1-5.3-105.7-75.58700103.7
4F42.3Very low45.5Very low212 Ų212147.6 Ų147.693%0.9383%0.833SS**  trans-74138.8171.4-84.7-96.2000110
5G47.1Very low45.5Very low70 Ų70151.7 Ų151.772%0.72284%0.838SS**  trans-131.1136.1165.500000109.8
6P53.3Low45.3Very low120 Ų120148.9 Ų148.978%0.77983%0.833SS**  trans-98.9153.5-175.636.3-31000114
7S46.6Very low44.8Very low120 Ų120146.9 Ų146.984%0.83983%0.831SS**  trans73.3116.2149-580000120.7
8A45.5Very low45Very low96 Ų96147.6 Ų147.679%0.79383%0.83SS**  -153.3103.5129.100000109.7I10A8-I10 PolarHBondContact O-N 2.89Å
9L43.2Very low45.1Very low177 Ų177148.5 Ų148.593%0.92783%0.825SS**PPolyproline II helixtrans-73.6117.4164.6-68173.8000107.7
10I53.6Low45Very low163 Ų163146.8 Ų146.884%0.83682%0.82SS**PPolyproline II helixtrans-85.5126.6168.348.8170000109.9A8A8-I10 PolarHBondContact O-N 2.89Å
11N43.2Very low44.7Very low129 Ų129147.4 Ų147.469%0.6982%0.817SS**PPolyproline II helixtrans-70.8125.3-168.1-178.4-18.9000112S13N11-S13 VanDerWaalsContact CG-OG 3.29Å; N11-S13 PolarHBondContact O-N 3.48Å; N11-S13 WeakPolarHBondContact OD1-CB 3.45Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 PolarHBondContact OD1-OG 2.84Å
12L49.2Very low44.6Very low179 Ų179141.5 Ų141.594%0.93780%0.795SS**  trans-83.995162.9-108.378.2000108.6
13S42.3Very low44.5Very low84 Ų84138.7 Ų138.759%0.58779%0.793SS**  trans-141.197.7163.137.70000109.6N11N11-S13 VanDerWaalsContact CG-OG 3.29Å; N11-S13 PolarHBondContact O-N 3.48Å; N11-S13 WeakPolarHBondContact OD1-CB 3.45Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 PolarHBondContact OD1-OG 2.84Å
14N42.1Very low44.3Very low166 Ų166136.3 Ų136.389%0.88880%0.795SS**  trans-144.267.6160.3-143.361.4000109.4
15F45.1Very low44.8Very low208 Ų208132.6 Ų132.691%0.91279%0.79SS**  trans-95.5111.4163.5-123.3-89.1000106.7S17F15-S17 PolarHBondContact O-N 2.81Å
16S42.6Very low44.8Very low108 Ų108134.8 Ų134.876%0.75579%0.792SS**  trans-74.6116.9174.6-164.70000108.9
17S35.6Very low44.9Very low115 Ų115135 Ų13580%0.80479%0.793SS**  trans-89.9126172.5-161.30000108.6F15F15-S17 PolarHBondContact O-N 2.81Å
18I49Very low44.6Very low159 Ų159138.7 Ų138.782%0.81580%0.797SS**  trans-117.4126160.1-62.4-176.7000107.7
19K47.9Very low44.1Very low165 Ų165137.8 Ų137.872%0.71780%0.797SS**  trans-67.2148.6-168.7-179.9-177.1176.1-172.90114.2E21K19-E21 IonicContact NZ-OE2 3.87Å
20P42.8Very low44.1Very low114 Ų114135.1 Ų135.174%0.7479%0.793SS**  trans-98.8146.1167.435.8-28000112.8
21E37.9Very low43.4Very low160 Ų160136.1 Ų136.175%0.74880%0.796SS**  trans-169168.1158.1-125.1-164.1116.300111.9K19K19-E21 IonicContact NZ-OE2 3.87Å
22P44.7Very low43.1Very low104 Ų104134.2 Ų134.268%0.67580%0.799SS**  -125.6170.2-93.941-26000116.8
23A38Very low42.6Very low90 Ų90133.9 Ų133.974%0.74480%0.798SS**  trans59.2120.9148.400000122.2
24S39.2Very low42.4Very low123 Ų123134.9 Ų134.986%0.8681%0.805SS**  trans-161.4120.6132.4-77.10000110.8
25T51.8Low42.3Very low135 Ų135132.9 Ų132.983%0.82880%0.799SS**  trans-78.1153.5177.4-24.60000111.4
26P48Very low41.9Very low116 Ų116129 Ų12975%0.75379%0.792SS**  -133.6160.2129.216.54.2000113.9
27P54Low41.9Very low124 Ų124129.5 Ų129.581%0.80579%0.791SS**  trans-92.9169.2-164.336.9-34.3000115.6
28Q40.1Very low42Very low198 Ų198130.5 Ų130.593%0.92579%0.792SS**  trans-44.4160.4176.7-69.5161.4-92.300118.2
29G36.6Very low41.8Very low77 Ų77131.7 Ų131.779%0.79479%0.791SS**  trans148.6115.8130.500000117.1
30S42Very low41.7Very low120 Ų120131.3 Ų131.384%0.83980%0.795SS**  trans-56.3149.6176.4-52.50000116.6
31M39.8Very low42Very low184 Ų184131.8 Ų131.891%0.90680%0.798SS**  167.4152.5109.9-92.9-144.1160.200115
32A36.7Very low41.8Very low90 Ų90127.5 Ų127.574%0.74480%0.797SS**  trans79.396.3153.800000119.7
33N38.2Very low42Very low171 Ų171129.2 Ų129.291%0.91481%0.806SS**  trans-72.1115.7156.3-123.4-1.4000108.6
34S38Very low42.2Very low106 Ų106130 Ų13074%0.74180%0.803SS**  trans-93.5108.7167.1-72.20000109.8T36S34-T36 PolarHBondContact O-N 3.06Å
35T40.9Very low42.9Very low123 Ų123127.6 Ų127.676%0.75580%0.798SS**  trans-53.7115.2162.5-61.10000110.1V37T35-V37 HydrophobicContact CG2-CG2 4Å
36T35.7Very low42.6Very low126 Ų126127.2 Ų127.277%0.77380%0.796SS**  trans-122.4109.1151.748.10000108.2S34 V38S34-T36 PolarHBondContact O-N 3.06Å; T36-V38 PolarHBondContact O-N 3.13Å
37V43.3Very low42.7Very low120 Ų120125.1 Ų125.173%0.72780%0.796SS**  trans-69.3119.4171.7167.50000107.6T35 K39T35-V37 HydrophobicContact CG2-CG2 4Å; V37-K39 HydrophobicContact CG1-CB 4.23Å
38V38Very low42.1Very low135 Ų135122.5 Ų122.582%0.81879%0.791SS**  trans-120.6104.1157.1-173.50000107.2T36T36-V38 PolarHBondContact O-N 3.13Å
39K44.3Very low42.4Very low185 Ų185123 Ų12380%0.80478%0.784SS**  trans-108.3110.1175170.1-174.5-178.3175.10107.2V37V37-K39 HydrophobicContact CG1-CB 4.23Å
40I46.4Very low42.9Very low157 Ų157126 Ų12681%0.80578%0.781SS**  trans-146.3138.5153.2-49.2178000108.5
41P47.3Very low42.8Very low123 Ų123124.2 Ų124.280%0.79977%0.769SS**  trans-104.6170.3-156.140.2-30000113.1
42G34.1Very low43.5Very low71 Ų71119.6 Ų119.673%0.73275%0.752SS**  trans143.795.5160.500000113.9
43T48.4Very low44.1Very low140 Ų140123.7 Ų123.786%0.85976%0.756SS**  trans-56.5137.8150.9-0.40000108.8
44P43.8Very low44.8Very low106 Ų106122.7 Ų122.769%0.68875%0.751SS**  -131.2134.597173.2000109.7
45G53.5Low46Very low73 Ų73123.4 Ų123.475%0.75375%0.746SS**  61.656.462.700000110.7
46T46.2Very low47.4Very low126 Ų126121 Ų12177%0.77373%0.727SS**  trans-137.289.4165.3-17.10000108.4G48T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.17Å
47G48.6Very low49.5Very low73 Ų73119.7 Ų119.775%0.75372%0.718SS**  trans-56.7105.1155.500000107.2R49G47-R49 PolarHBondContact O-N 3.29Å
48G41.9Very low51.7Low68 Ų68116.2 Ų116.270%0.70170%0.695SS**  trans-69.36915500000107.7T46 L50T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.17Å; G48-L50 PolarHBondContact O-N 3.17Å
49R46.4Very low54.3Low210 Ų210113.4 Ų113.479%0.79268%0.679SS**  trans-66.391.1157.3-165.4174.9177.6-115.60.3103G47 S51G47-R49 PolarHBondContact O-N 3.29Å; R49-S51 PolarHBondContact O-N 3.45Å
50L47.6Very low56.6Low138 Ų138107.2 Ų107.272%0.72365%0.652SS**  trans-47113.9162.4-60.6171.5000104.1G48 P52G48-L50 PolarHBondContact O-N 3.17Å; L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.44Å
51S40.4Very low58.9Low83 Ų83106.6 Ų106.658%0.5864%0.643SS**  trans-51.2119.1173.7-90.30000106.7R49 E53R49-S51 PolarHBondContact O-N 3.45Å; S51-E53 PolarHBondContact O-N 3.09Å
52P52.9Low61.1Low87 Ų87106.6 Ų106.657%0.56563%0.631SS**G310 helixtrans-63.5-16.9-17623.9-31.9000112L50 N54L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.41Å
53E50.9Low64Low177 Ų177103.8 Ų103.883%0.82760%0.599SS**G310 helixtrans-66-22.2-177.1-83.1-171.887.200115.8S51S51-E53 PolarHBondContact O-N 3.09Å
54N52.9Low66.2Low150 Ų150100.2 Ų100.280%0.80257%0.572SS**G310 helixtrans-98.30.7-176-136.2-42.3000114.4P52P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.41Å
55N61.9Low68.7Low121 Ų12197.8 Ų97.865%0.64755%0.553SS**SBendtrans-1060.7177.1-78.93.2000112.9V57N55-V57 PolarHBondContact O-N 2.9Å; N55-V57 VanDerWaalsContact O-N 3.1Å
56Q70Confident70.7Confident73 Ų7398.6 Ų98.634%0.34154%0.54SS..  trans-73.4108.1-178.8-155.7178.542.300109.9L58Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 WeakPolarHBondContact CG-O 3.44Å
57V80.6Confident73.1Confident98 Ų9893.9 Ų93.959%0.59451%0.511SS*.SBendtrans-74.6-23.3-177.3-70.50000112.6N55 D89 I92N55-V57 PolarHBondContact O-N 2.9Å; N55-V57 VanDerWaalsContact O-N 3.1Å; V57-D89 WeakPolarHBondContact CG2-OD1 3.31Å; V57-I92 HydrophobicContact CB-CD1 4.29Å; V57-I92 HydrophobicContact CG2-CD1 3.24Å
58L89.8Confident75.3Confident46 Ų4696.7 Ų96.724%0.24150%0.499CS..SBendtrans-116.8116.4174.6-178.262.4000110.4Q56 K62 L85 A88Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 WeakPolarHBondContact CG-O 3.44Å; L58-K62 HydrophobicContact CD1-CB 4Å; L58-K62 HydrophobicContact CD1-CG 4.01Å; L58-L85 HydrophobicContact CB-CD2 4.15Å; L58-L85 HydrophobicContact CD2-CD2 3.9Å; L58-L85 HydrophobicContact CG-CD2 3.82Å; L58-L85 WeakPolarHBondContact O-CD2 3.27Å; L58-A88 HydrophobicContact CD2-CB 4.08Å
59T92.9Very high77.9Confident77 Ų77101 Ų10147%0.47250%0.501SS..  trans-79.9147.4176.163.30000111.9K61 K62 L63T59-K61 PolarHBondContact O-N 3.47Å; T59-K62 PolarHBondContact O-N 3.41Å; T59-K62 WeakPolarHBondContact OG1-CB 3.38Å; T59-K62 PolarHBondContact OG1-N 3Å; T59-L63 PolarHBondContact O-N 3.1Å; T59-L63 VanDerWaalsContact O-N 3.1Å
60K92.6Very high80.3Confident55 Ų5596.5 Ų96.524%0.23950%0.497CS..Hα-helixtrans-49.5-41.5172.8-164.6168.3-168.2158.30113.4K62 L63 Q64 E78 E81 E82 L85K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.28Å; K60-L63 WeakPolarHBondContact O-CB 3.42Å; K60-L63 PolarHBondContact O-N 3.35Å; K60-Q64 WeakPolarHBondContact O-CG 3.42Å; K60-Q64 PolarHBondContact O-N 3.01Å; K60-E78 IonicContact NZ-OE1 3.86Å; K60-E78 PolarHBondContact NZ-OE1 3.49Å; K60-E81 WeakPolarHBondContact CE-OE2 3.46Å; K60-E81 IonicContact NZ-OE2 3.32Å; K60-E82 IonicContact NZ-OE1 3.7Å; K60-E82 PolarHBondContact NZ-OE1 3.12Å; K60-L85 HydrophobicContact CB-CD1 4.36Å
61K93.4Very high82.6Confident144 Ų14492.8 Ų92.863%0.62648%0.477SS*.Hα-helixtrans-57.6-44.8175.1-177-177172.470.40112.4T59 Q64 D65T59-K61 PolarHBondContact O-N 3.47Å; K61-Q64 PolarHBondContact O-N 3Å; K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.33Å
62K94.7Very high85.2Confident123 Ų12393.4 Ų93.454%0.53548%0.479SS..Hα-helixtrans-71.5-33.6-178.1-169.359174168.10111.8L58 T59 K60 D65 L66L58-K62 HydrophobicContact CD1-CB 4Å; L58-K62 HydrophobicContact CD1-CG 4.01Å; T59-K62 PolarHBondContact O-N 3.41Å; T59-K62 WeakPolarHBondContact OG1-CB 3.38Å; T59-K62 PolarHBondContact OG1-N 3Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.28Å; K62-D65 PolarHBondContact O-N 3.38Å; K62-L66 WeakPolarHBondContact O-CB 3.46Å; K62-L66 PolarHBondContact O-N 2.99Å
63L95.4Very high87.1Confident12 Ų1296.3 Ų96.36%0.06349%0.49CS..Hα-helixtrans-60.4-48.7170.4177.862.6000110.8T59 K60 D65 L66 V67 E81 L84 L85T59-L63 PolarHBondContact O-N 3.1Å; T59-L63 VanDerWaalsContact O-N 3.1Å; K60-L63 WeakPolarHBondContact O-CB 3.42Å; K60-L63 PolarHBondContact O-N 3.35Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.91Å; L63-L66 WeakPolarHBondContact O-CB 3.46Å; L63-L66 PolarHBondContact O-N 2.88Å; L63-L66 VanDerWaalsContact O-N 3.12Å; L63-V67 HydrophobicContact CD1-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CG2 2.76Å; L63-V67 PolarHBondContact O-N 3.02Å; L63-E81 HydrophobicContact CD2-CB 4.04Å; L63-E81 HydrophobicContact CD2-CG 4.32Å; L63-L84 HydrophobicContact CD1-CD1 4.44Å; L63-L84 HydrophobicContact CD2-CB 4.19Å; L63-L85 HydrophobicContact CB-CD2 4.4Å; L63-L85 HydrophobicContact CD2-CD2 4.11Å; L63-L85 HydrophobicContact CD2-CG 4.01Å
64Q94.9Very high89.1Confident65 Ų6593 Ų9330%0.30448%0.475SS..Hα-helixtrans-62-40.2177.9-71.4176.4-7.800113K60 K61 L66 V67 R68 E81K60-Q64 WeakPolarHBondContact O-CG 3.42Å; K60-Q64 PolarHBondContact O-N 3.01Å; K61-Q64 PolarHBondContact O-N 3Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3Å; Q64-V67 PolarHBondContact O-N 3Å; Q64-R68 WeakPolarHBondContact O-CG 3.24Å; Q64-R68 PolarHBondContact O-N 3.26Å; Q64-R68 VanDerWaalsContact O-N 3.09Å; Q64-E81 VanDerWaalsContact CG-OE1 3.24Å; Q64-E81 WeakPolarHBondContact CG-OE1 3.32Å; Q64-E81 PolarHBondContact NE2-OE1 3Å; Q64-E81 PolarHBondContact NE2-OE2 3.09Å
65D95.3Very high91Very high54 Ų5494.7 Ų94.729%0.28948%0.478SS..Hα-helixtrans-64.2-37.2175.6-68.4-22.6000111.3K61 K62 L63 R68 E69K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.33Å; K62-D65 PolarHBondContact O-N 3.38Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.91Å; D65-R68 IonicContact OD1-CZ 2.94Å; D65-R68 IonicContact OD1-NH1 3.52Å; D65-R68 PolarHBondContact OD1-NH1 3.29Å; D65-R68 IonicContact OD1-NH2 3.96Å; D65-E69 PolarHBondContact O-N 3.18Å; D65-E69 VanDerWaalsContact O-N 3.17Å
66L95.8Very high92.6Very high90 Ų9090.6 Ų90.647%0.47146%0.456SS..Hα-helixtrans-68-42.3175.5-178.665.7000112.1K62 L63 Q64 R68 E69 V70K62-L66 WeakPolarHBondContact O-CB 3.46Å; K62-L66 PolarHBondContact O-N 2.99Å; L63-L66 WeakPolarHBondContact O-CB 3.46Å; L63-L66 PolarHBondContact O-N 2.88Å; L63-L66 VanDerWaalsContact O-N 3.12Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.43Å; L66-E69 WeakPolarHBondContact O-CB 3.44Å; L66-E69 PolarHBondContact O-N 3.04Å; L66-E69 VanDerWaalsContact O-N 3.17Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 3.31Å; L66-V70 VanDerWaalsContact O-N 3.13Å
67V96.1Very high93.9Very high27 Ų2793 Ų9316%0.16447%0.471CS..Hα-helixtrans-59.1-46.2176.21730000110.2L63 Q64 E69 V70 D71 L76L63-V67 HydrophobicContact CD1-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CG2 2.76Å; L63-V67 PolarHBondContact O-N 3.02Å; Q64-V67 PolarHBondContact O-N 3Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å; V67-V70 PolarHBondContact O-N 2.95Å; V67-D71 CarbonylContact O-C 3.55Å; V67-D71 PolarHBondContact O-N 3.03Å; V67-D71 VanDerWaalsContact O-O 3.11Å; V67-L76 HydrophobicContact CG1-CG 4.39Å; V67-L76 HydrophobicContact CG2-CD1 3.63Å; V67-L76 HydrophobicContact CG2-CG 4.3Å
68R95.7Very high94.5Very high133 Ų13394.4 Ų94.450%0.50247%0.471SS..Hα-helixtrans-64.7-27.5177.8-68.9-171-135.7114.26.9114Q64 D65 L66Q64-R68 WeakPolarHBondContact O-CG 3.24Å; Q64-R68 PolarHBondContact O-N 3.26Å; Q64-R68 VanDerWaalsContact O-N 3.09Å; D65-R68 IonicContact OD1-CZ 2.94Å; D65-R68 IonicContact OD1-NH1 3.52Å; D65-R68 PolarHBondContact OD1-NH1 3.29Å; D65-R68 IonicContact OD1-NH2 3.96Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.43Å
69E96.4Very high94.8Very high157 Ų15798.7 Ų98.773%0.73449%0.494SS*.Hα-helixtrans-70.7-34.7173.7-173.7177.716700111.5D65 L66 V67D65-E69 PolarHBondContact O-N 3.18Å; D65-E69 VanDerWaalsContact O-N 3.17Å; L66-E69 WeakPolarHBondContact O-CB 3.44Å; L66-E69 PolarHBondContact O-N 3.04Å; L66-E69 VanDerWaalsContact O-N 3.17Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å
70V96.2Very high95Very high117 Ų11797.5 Ų97.571%0.70949%0.487SS*.Hα-helixtrans-79.6-51.9178.3176.60000111.4L66 V67L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 3.31Å; L66-V70 VanDerWaalsContact O-N 3.13Å; V67-V70 PolarHBondContact O-N 2.95Å
71D95.5Very high95.1Very high59 Ų5995.7 Ų95.732%0.31648%0.479SS..  trans-143.3112.4173.7-170.1-16.8000110.5V67 N73 E74V67-D71 CarbonylContact O-C 3.55Å; V67-D71 PolarHBondContact O-N 3.03Å; V67-D71 VanDerWaalsContact O-O 3.11Å; D71-N73 PolarHBondContact O-N 3.31Å; D71-N73 PolarHBondContact OD1-N 3.26Å; D71-E74 HydrophobicContact CB-CB 3.99Å; D71-E74 PolarHBondContact O-N 3.29Å
72P94.6Very high95.2Very high96 Ų9692.9 Ų92.962%0.62347%0.468SS*.THydrogen-bonded Turntrans-70.9-14.318029.2-35.7000114.4
73N94.4Very high95.3Very high149 Ų14992.2 Ų92.280%0.79747%0.468SS*.THydrogen-bonded Turntrans-96.6-10.2-178.5-54.9-57.1000113.2D71D71-N73 PolarHBondContact O-N 3.31Å; D71-N73 PolarHBondContact OD1-N 3.26Å
74E93.1Very high95.3Very high108 Ų10894.7 Ų94.751%0.50548%0.481SS..  trans-87.8134-178.6-170.4164.9-158.300110.8D71D71-E74 HydrophobicContact CB-CB 3.99Å; D71-E74 PolarHBondContact O-N 3.29Å
75Q92.4Very high95.3Very high184 Ų18491.7 Ų91.786%0.8647%0.467SS*.  trans-128.2116.5176.5-172.2155.11500109.1
76L94.7Very high95.2Very high36 Ų3694.2 Ų94.219%0.18848%0.477CS..  trans-77.7142.6-179.9-62.3-178.8000110.8V67 V80 E81 L84V67-L76 HydrophobicContact CG1-CG 4.39Å; V67-L76 HydrophobicContact CG2-CD1 3.63Å; V67-L76 HydrophobicContact CG2-CG 4.3Å; L76-V80 HydrophobicContact CD2-CG1 4.16Å; L76-E81 HydrophobicContact CB-CG 3.76Å; L76-E81 HydrophobicContact CD1-CG 4.28Å; L76-L84 HydrophobicContact CD1-CD1 3.63Å
77D96.6Very high95.3Very high123 Ų12394.2 Ų94.266%0.65848%0.477SS*.  trans-69.1152.9167.3-71.1-35000110.5D79 V80 E81D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.42Å; D77-V80 HydrophobicContact CB-CG2 4.26Å; D77-V80 WeakPolarHBondContact O-CB 3.32Å; D77-V80 PolarHBondContact O-N 3.1Å; D77-E81 PolarHBondContact O-N 3.36Å
78E95.3Very high95.2Very high127 Ų12794.1 Ų94.159%0.59348%0.479SS*.Hα-helixtrans-56.1-44.7-177.6176.8157.8-139.700112.6K60 V80 E81 E82K60-E78 IonicContact NZ-OE1 3.86Å; K60-E78 PolarHBondContact NZ-OE1 3.49Å; E78-V80 PolarHBondContact O-N 3.01Å; E78-E81 PolarHBondContact O-N 3.01Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E78-E82 WeakPolarHBondContact O-CG 3.43Å; E78-E82 PolarHBondContact O-N 3.07Å
79D95.6Very high95.1Very high137 Ų13790 Ų9073%0.73347%0.467SS*.Hα-helixtrans-62.1-31.7179-65.5-31.1000112.6D77 M83D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.42Å; D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.97Å; D79-M83 VanDerWaalsContact O-N 3.09Å
80V96.9Very high95.1Very high52 Ų5286.3 Ų86.332%0.31545%0.452SS..Hα-helixtrans-74.7-40.8177.6-178.80000110.3L76 D77 E78 M83 L84L76-V80 HydrophobicContact CD2-CG1 4.16Å; D77-V80 HydrophobicContact CB-CG2 4.26Å; D77-V80 WeakPolarHBondContact O-CB 3.32Å; D77-V80 PolarHBondContact O-N 3.1Å; E78-V80 PolarHBondContact O-N 3.01Å; V80-M83 PolarHBondContact O-N 3.16Å; V80-L84 HydrophobicContact CG1-CD1 4.27Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 WeakPolarHBondContact O-CG 3.37Å; V80-L84 PolarHBondContact O-N 3.45Å
81E94.9Very high95.1Very high16 Ų1683.8 Ų83.88%0.07543%0.432CS..Hα-helixtrans-58.5-47.6174.1-67.1-172.7159.800110.9K60 L63 Q64 L76 D77 E78 M83 L84 L85K60-E81 WeakPolarHBondContact CE-OE2 3.46Å; K60-E81 IonicContact NZ-OE2 3.32Å; L63-E81 HydrophobicContact CD2-CB 4.04Å; L63-E81 HydrophobicContact CD2-CG 4.32Å; Q64-E81 VanDerWaalsContact CG-OE1 3.24Å; Q64-E81 WeakPolarHBondContact CG-OE1 3.32Å; Q64-E81 PolarHBondContact NE2-OE1 3Å; Q64-E81 PolarHBondContact NE2-OE2 3.09Å; L76-E81 HydrophobicContact CB-CG 3.76Å; L76-E81 HydrophobicContact CD1-CG 4.28Å; D77-E81 PolarHBondContact O-N 3.36Å; E78-E81 PolarHBondContact O-N 3.01Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E81-M83 VanDerWaalsContact C-N 3.34Å; E81-M83 PolarHBondContact O-N 3.38Å; E81-L84 PolarHBondContact O-N 3.37Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.98Å
82E94.6Very high95.1Very high86 Ų8684.1 Ų84.140%0.40243%0.433SS..Hα-helixtrans-62.9-39.8178.2-61.9-55146.200112K60 E78 L85 Q86K60-E82 IonicContact NZ-OE1 3.7Å; K60-E82 PolarHBondContact NZ-OE1 3.12Å; E78-E82 WeakPolarHBondContact O-CG 3.43Å; E78-E82 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 3.15Å; E82-Q86 PolarHBondContact O-N 3.41Å
83M96.2Very high95.1Very high109 Ų10985.8 Ų85.854%0.53743%0.432SS..Hα-helixtrans-63.5-42.4175.7-175.5179.566.500112.1D79 V80 E81 Q86 I87D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.97Å; D79-M83 VanDerWaalsContact O-N 3.09Å; V80-M83 PolarHBondContact O-N 3.16Å; E81-M83 VanDerWaalsContact C-N 3.34Å; E81-M83 PolarHBondContact O-N 3.38Å; M83-Q86 PolarHBondContact O-N 2.9Å; M83-I87 HydrophobicContact CG-CD1 4.07Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.43Å; M83-I87 PolarHBondContact O-N 3.42Å
84L96Very high95.3Very high64 Ų6481.4 Ų81.434%0.33541%0.413SS..Hα-helixtrans-66.4-37.9177.7-72.3174.1000112.2L63 L76 V80 E81 I87 A88L63-L84 HydrophobicContact CD1-CD1 4.44Å; L63-L84 HydrophobicContact CD2-CB 4.19Å; L76-L84 HydrophobicContact CD1-CD1 3.63Å; V80-L84 HydrophobicContact CG1-CD1 4.27Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 WeakPolarHBondContact O-CG 3.37Å; V80-L84 PolarHBondContact O-N 3.45Å; E81-L84 PolarHBondContact O-N 3.37Å; L84-I87 PolarHBondContact O-N 3.02Å; L84-A88 PolarHBondContact O-N 3.46Å
85L94.8Very high95.5Very high2 Ų276.7 Ų76.71%0.0139%0.392CS..Hα-helixtrans-61.8-45.4174.1-70173.2000111L58 K60 L63 E81 E82 I87 A88 D89L58-L85 HydrophobicContact CB-CD2 4.15Å; L58-L85 HydrophobicContact CD2-CD2 3.9Å; L58-L85 HydrophobicContact CG-CD2 3.82Å; L58-L85 WeakPolarHBondContact O-CD2 3.27Å; K60-L85 HydrophobicContact CB-CD1 4.36Å; L63-L85 HydrophobicContact CB-CD2 4.4Å; L63-L85 HydrophobicContact CD2-CD2 4.11Å; L63-L85 HydrophobicContact CD2-CG 4.01Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.98Å; E82-L85 PolarHBondContact O-N 3.15Å; L85-I87 PolarHBondContact O-N 3.05Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.16Å; L85-D89 PolarHBondContact O-N 3.4Å
86Q94.7Very high95.7Very high106 Ų10671.4 Ų71.450%0.49537%0.372SS..Hα-helixtrans-60.7-44.2176-174.263.847.400111.9E82 M83 A88 D89 D90E82-Q86 PolarHBondContact O-N 3.41Å; M83-Q86 PolarHBondContact O-N 2.9Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.92Å; Q86-D89 PolarHBondContact O-N 2.95Å; Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 VanDerWaalsContact O-CG 3.28Å; Q86-D90 PolarHBondContact O-N 3.36Å
87I95.8Very high95.9Very high90 Ų9072.8 Ų72.846%0.46238%0.382SS..Hα-helixtrans-60.8-38.2177-68.7164.9000111M83 L84 L85 F91M83-I87 HydrophobicContact CG-CD1 4.07Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.43Å; M83-I87 PolarHBondContact O-N 3.42Å; L84-I87 PolarHBondContact O-N 3.02Å; L85-I87 PolarHBondContact O-N 3.05Å; I87-F91 VanDerWaalsContact O-CB 3.25Å; I87-F91 WeakPolarHBondContact O-CB 3.4Å; I87-F91 PolarHBondContact O-N 3Å
88A95.7Very high95.9Very high25 Ų2567.7 Ų67.721%0.20736%0.357CS..Hα-helixtrans-65.8-41.917700000112L58 L84 L85 Q86 F91 I92L58-A88 HydrophobicContact CD2-CB 4.08Å; L84-A88 PolarHBondContact O-N 3.46Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.16Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.92Å; A88-F91 WeakPolarHBondContact O-CB 3.31Å; A88-F91 PolarHBondContact O-N 2.87Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 2.59Å
89D93.6Very high96Very high46 Ų4661.7 Ų61.725%0.24633%0.329CS..Hα-helixtrans-64.4-46.4176.4-71.2-26000111.1V57 L85 Q86 F91 I92 E93V57-D89 WeakPolarHBondContact CG2-OD1 3.31Å; L85-D89 PolarHBondContact O-N 3.4Å; Q86-D89 PolarHBondContact O-N 2.95Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 2.95Å; D89-I92 PolarHBondContact O-N 2.81Å; D89-I92 VanDerWaalsContact O-N 3.15Å; D89-E93 PolarHBondContact O-N 3.21Å
90D95.3Very high96.2Very high81 Ų8157.7 Ų57.743%0.43331%0.311SS..Hα-helixtrans-61.4-39.8176.6-68.1-7.5000111.6Q86 E93 S94Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 VanDerWaalsContact O-CG 3.28Å; Q86-D90 PolarHBondContact O-N 3.36Å; D90-E93 PolarHBondContact O-N 3.17Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 2.99Å; D90-S94 PolarHBondContact O-N 3.29Å
91F96.6Very high96.2Very high63 Ų6360.7 Ų60.728%0.27632%0.322SS..Hα-helixtrans-59.5-46.2174.6168.8-101.5000111.2I87 A88 D89 S94 V95 L120 W124 M126I87-F91 VanDerWaalsContact O-CB 3.25Å; I87-F91 WeakPolarHBondContact O-CB 3.4Å; I87-F91 PolarHBondContact O-N 3Å; A88-F91 WeakPolarHBondContact O-CB 3.31Å; A88-F91 PolarHBondContact O-N 2.87Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 2.95Å; F91-S94 PolarHBondContact O-N 3Å; F91-V95 HydrophobicContact CD1-CG2 4.48Å; F91-V95 HydrophobicContact CD2-CG2 4.02Å; F91-V95 HydrophobicContact CE1-CG2 4.14Å; F91-V95 HydrophobicContact CE2-CG2 3.64Å; F91-V95 HydrophobicContact CG-CG2 4.43Å; F91-V95 HydrophobicContact CZ-CG2 3.72Å; F91-V95 WeakPolarHBondContact O-CB 3.41Å; F91-V95 VanDerWaalsContact O-CG2 3.25Å; F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.39Å; F91-L120 HydrophobicContact CE2-CD2 4.26Å; F91-L120 HydrophobicContact CZ-CD2 3.74Å; F91-W124 HydrophobicContact CD2-CD2 4Å; F91-W124 AromaticContact CD2-CE2 3.66Å; F91-W124 HydrophobicContact CD2-CE3 4.09Å; F91-W124 AromaticContact CD2-CH2 3.57Å; F91-W124 HydrophobicContact CD2-CH2 3.57Å; F91-W124 AromaticContact CD2-CZ2 3.46Å; F91-W124 HydrophobicContact CD2-CZ2 3.46Å; F91-W124 VanDerWaalsContact CD2-CZ2 3.46Å; F91-W124 AromaticContact CD2-CZ3 3.88Å; F91-W124 HydrophobicContact CD2-CZ3 3.88Å; F91-W124 AromaticContact CE2-CD2 3.54Å; F91-W124 HydrophobicContact CE2-CD2 3.54Å; F91-W124 AromaticContact CE2-CE2 3.52Å; F91-W124 AromaticContact CE2-CE3 3.86Å; F91-W124 HydrophobicContact CE2-CE3 3.86Å; F91-W124 AromaticContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CH2 4.15Å; F91-W124 AromaticContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ3 4.15Å; F91-W124 AromaticContact CE2-NE1 3.91Å; F91-M126 HydrophobicContact CZ-SD 4.47Å
92I95.5Very high96.3Very high66 Ų6662.4 Ų62.434%0.33833%0.331SS..Hα-helixtrans-66.4-44.4-179.4-70.1166.7000110.7V57 A88 D89 S94 V95 V96V57-I92 HydrophobicContact CB-CD1 4.29Å; V57-I92 HydrophobicContact CG2-CD1 3.24Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 2.59Å; D89-I92 PolarHBondContact O-N 2.81Å; D89-I92 VanDerWaalsContact O-N 3.15Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.09Å; I92-V95 PolarHBondContact O-N 3.26Å; I92-V96 HydrophobicContact CG2-CG2 4.1Å; I92-V96 VanDerWaalsContact O-CB 3.3Å; I92-V96 WeakPolarHBondContact O-CB 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.48Å
93E95.3Very high96.5Very high132 Ų13258.5 Ų58.562%0.61731%0.313SS*.Hα-helixtrans-59.3-44.5176.4-175.8169.5-159.400111.5D89 D90 T97D89-E93 PolarHBondContact O-N 3.21Å; D90-E93 PolarHBondContact O-N 3.17Å; E93-T97 WeakPolarHBondContact O-CB 3.12Å; E93-T97 PolarHBondContact O-N 3.03Å; E93-T97 PolarHBondContact O-OG1 3.28Å
94S97.1Very high96.5Very high56 Ų5662 Ų6239%0.39232%0.321SS..Hα-helixtrans-60.9-50.9177-179.10000112.1D90 F91 I92 T97 A98D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 2.99Å; D90-S94 PolarHBondContact O-N 3.29Å; F91-S94 PolarHBondContact O-N 3Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.09Å; S94-T97 PolarHBondContact O-N 3.42Å; S94-A98 WeakPolarHBondContact O-CB 3.38Å; S94-A98 PolarHBondContact O-N 2.92Å
95V97.6Very high96.6Very high10 Ų1066.3 Ų66.36%0.06134%0.339CS..Hα-helixtrans-63.7-46.2-178.91710000111.3F91 I92 A98 A99 V116 L120F91-V95 HydrophobicContact CD1-CG2 4.48Å; F91-V95 HydrophobicContact CD2-CG2 4.02Å; F91-V95 HydrophobicContact CE1-CG2 4.14Å; F91-V95 HydrophobicContact CE2-CG2 3.64Å; F91-V95 HydrophobicContact CG-CG2 4.43Å; F91-V95 HydrophobicContact CZ-CG2 3.72Å; F91-V95 WeakPolarHBondContact O-CB 3.41Å; F91-V95 VanDerWaalsContact O-CG2 3.25Å; F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.39Å; I92-V95 PolarHBondContact O-N 3.26Å; V95-A98 PolarHBondContact O-N 2.98Å; V95-A99 VanDerWaalsContact O-CB 3.26Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 3.24Å; V95-V116 HydrophobicContact CG1-CG1 3.91Å; V95-L120 HydrophobicContact CG1-CD2 4.27Å; V95-L120 HydrophobicContact CG2-CD2 3.97Å
96V97.1Very high96.6Very high72 Ų7270.9 Ų70.944%0.43636%0.356SS..Hα-helixtrans-65.7-42-179.4172.30000110.6I92 A99 C100I92-V96 HydrophobicContact CG2-CG2 4.1Å; I92-V96 VanDerWaalsContact O-CB 3.3Å; I92-V96 WeakPolarHBondContact O-CB 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.48Å; V96-A99 PolarHBondContact O-N 3.14Å; V96-C100 WeakPolarHBondContact O-CB 3.29Å; V96-C100 PolarHBondContact O-N 3.04Å; V96-C100 PolarHBondContact O-SG 3.08Å
97T98Very high96.7Very high66 Ų6674.9 Ų74.941%0.40537%0.372SS..Hα-helixtrans-60.8-48.2177.2-65.10000111E93 S94 C100 Q101E93-T97 WeakPolarHBondContact O-CB 3.12Å; E93-T97 PolarHBondContact O-N 3.03Å; E93-T97 PolarHBondContact O-OG1 3.28Å; S94-T97 PolarHBondContact O-N 3.42Å; T97-C100 PolarHBondContact O-N 2.94Å; T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.93Å
98A98Very high96.7Very high16 Ų1671.9 Ų71.913%0.13236%0.359CS..Hα-helixtrans-66.2-41.8178.800000112.5S94 V95 C100 Q101 L102 H119S94-A98 WeakPolarHBondContact O-CB 3.38Å; S94-A98 PolarHBondContact O-N 2.92Å; V95-A98 PolarHBondContact O-N 2.98Å; A98-C100 PolarHBondContact O-N 2.87Å; A98-Q101 WeakPolarHBondContact O-CB 3.34Å; A98-Q101 PolarHBondContact O-N 3.42Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.92Å; A98-H119 WeakPolarHBondContact CB-CE1 3.41Å; A98-H119 VanDerWaalsContact CB-ND1 3.3Å; A98-H119 WeakPolarHBondContact CB-ND1 3.41Å
99A97.8Very high96.7Very high0 Ų076.8 Ų76.80%039%0.391CS..Hα-helixtrans-62.1-41.8175.700000111.8V95 V96 Q101 L102 A103 L111 D115 V116V95-A99 VanDerWaalsContact O-CB 3.26Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 3.24Å; V96-A99 PolarHBondContact O-N 3.14Å; A99-Q101 VanDerWaalsContact C-N 3.3Å; A99-Q101 PolarHBondContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 3.32Å; A99-A103 PolarHBondContact O-N 3.13Å; A99-L111 HydrophobicContact CB-CD1 3.83Å; A99-D115 HydrophobicContact CB-CB 4.18Å; A99-D115 WeakPolarHBondContact O-CB 3.29Å; A99-V116 HydrophobicContact CB-CB 4.39Å; A99-V116 HydrophobicContact CB-CG2 3.68Å
100C98Very high96.9Very high53 Ų5378.7 Ų78.736%0.35841%0.405SS..Hα-helixtrans-61.3-38.9173.5-70.40000112.1V96 T97 A98 A103 R104 L111V96-C100 WeakPolarHBondContact O-CB 3.29Å; V96-C100 PolarHBondContact O-N 3.04Å; V96-C100 PolarHBondContact O-SG 3.08Å; T97-C100 PolarHBondContact O-N 2.94Å; A98-C100 PolarHBondContact O-N 2.87Å; C100-A103 PolarHBondContact O-N 2.87Å; C100-R104 WeakPolarHBondContact O-CG 3.43Å; C100-R104 PolarHBondContact O-N 2.99Å; C100-L111 VanDerWaalsContact SG-CD1 3.57Å
101Q98.1Very high97Very high116 Ų11678.8 Ų78.854%0.54241%0.405SS..Hα-helixtrans-64.6-39.3174.8-69.717426.500112T97 A98 A99 R104 H105T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.93Å; A98-Q101 WeakPolarHBondContact O-CB 3.34Å; A98-Q101 PolarHBondContact O-N 3.42Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; A99-Q101 VanDerWaalsContact C-N 3.3Å; A99-Q101 PolarHBondContact O-N 3.14Å; Q101-R104 PolarHBondContact O-N 3.42Å; Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 3.37Å
102L96.9Very high96.8Very high51 Ų5179.4 Ų79.427%0.26741%0.409SS..Hα-helixtrans-65.5-43.5175.7-70.5170.4000112.2A98 A99 R104 H105 R106 D115 L118 H119A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.92Å; A99-L102 PolarHBondContact O-N 3.32Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.88Å; L102-H105 WeakPolarHBondContact O-CB 3.26Å; L102-H105 PolarHBondContact O-N 3.41Å; L102-H105 VanDerWaalsContact O-N 3.11Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-D115 HydrophobicContact CB-CB 4.08Å; L102-D115 WeakPolarHBondContact CD1-O 3.16Å; L102-L118 HydrophobicContact CD1-CB 4.32Å; L102-L118 HydrophobicContact CD1-CD2 4.18Å; L102-L118 HydrophobicContact CD1-CG 4.46Å; L102-L118 HydrophobicContact CD2-CD2 4.15Å; L102-H119 HydrophobicContact CD1-CB 4.19Å
103A97.7Very high96.7Very high4 Ų480.3 Ų80.33%0.03342%0.417CS..Hα-helixtrans-58.3-46.2174.600000111.3A99 C100 H105 R106 K107 S108 D115A99-A103 PolarHBondContact O-N 3.13Å; C100-A103 PolarHBondContact O-N 2.87Å; A103-H105 VanDerWaalsContact C-N 3.33Å; A103-H105 PolarHBondContact O-N 2.87Å; A103-R106 WeakPolarHBondContact O-CG 3.22Å; A103-R106 PolarHBondContact O-N 3Å; A103-K107 PolarHBondContact O-N 2.67Å; A103-S108 CarbonylContact C-O 3.41Å; A103-S108 WeakPolarHBondContact O-CB 3.25Å; A103-S108 PolarHBondContact O-N 3.15Å; A103-D115 WeakPolarHBondContact CB-OD2 3.45Å; A103-D115 PolarHBondContact N-OD1 3.4Å
104R97.8Very high96.6Very high184 Ų18479.2 Ų79.269%0.69441%0.41SS*.Hα-helixtrans-64.3-35.2175.4-72177.867.6-126.70.7112.7C100 Q101 L102 R106 K107C100-R104 WeakPolarHBondContact O-CG 3.43Å; C100-R104 PolarHBondContact O-N 2.99Å; Q101-R104 PolarHBondContact O-N 3.42Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.88Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.42Å; R104-K107 WeakPolarHBondContact O-CA 3.36Å; R104-K107 PolarHBondContact O-N 3.06Å
105H97.1Very high96.5Very high154 Ų15477 Ų7771%0.71339%0.394SS*.Hα-helixtrans-61.1-40.9179.1177.9-93.4000111.8Q101 L102 A103 K107Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 3.37Å; L102-H105 WeakPolarHBondContact O-CB 3.26Å; L102-H105 PolarHBondContact O-N 3.41Å; L102-H105 VanDerWaalsContact O-N 3.11Å; A103-H105 VanDerWaalsContact C-N 3.33Å; A103-H105 PolarHBondContact O-N 2.87Å; H105-K107 PolarHBondContact O-N 3.49Å
106R95.4Very high96.4Very high98 Ų9878.5 Ų78.537%0.3740%0.403SS..THydrogen-bonded Turntrans-80.710.9173.264.3-175.917710211.1114.4L102 A103 R104 S108 T110 E112 D115L102-R106 PolarHBondContact O-N 2.92Å; A103-R106 WeakPolarHBondContact O-CG 3.22Å; A103-R106 PolarHBondContact O-N 3Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.42Å; R106-S108 PolarHBondContact O-N 3.38Å; R106-T110 PolarHBondContact NH2-O 2.74Å; R106-T110 VanDerWaalsContact NH2-O 3.17Å; R106-E112 VanDerWaalsContact CZ-CD 3.43Å; R106-E112 IonicContact CZ-OE1 3.53Å; R106-E112 IonicContact CZ-OE2 3.57Å; R106-E112 IonicContact NH1-OE1 2.88Å; R106-E112 PolarHBondContact NH1-OE1 3.17Å; R106-E112 IonicContact NH1-OE2 2.79Å; R106-E112 PolarHBondContact NH1-OE2 2.94Å; R106-E112 VanDerWaalsContact NH2-CB 3.3Å; R106-E112 IonicContact NH2-OE1 2.94Å; R106-E112 PolarHBondContact NH2-OE1 2.79Å; R106-E112 IonicContact NH2-OE2 3.71Å; R106-E112 PolarHBondContact NH2-OE2 3.43Å; R106-D115 IonicContact CZ-OD1 3.84Å; R106-D115 IonicContact CZ-OD2 2.84Å; R106-D115 IonicContact NE-OD1 3.34Å; R106-D115 PolarHBondContact NE-OD1 2.96Å; R106-D115 IonicContact NE-OD2 2.59Å; R106-D115 IonicContact NH2-OD1 3Å; R106-D115 IonicContact NH2-OD2 2.88Å; R106-D115 PolarHBondContact NH2-OD2 3.47Å
107K96.6Very high96.2Very high190 Ų19076 Ų7683%0.82639%0.387SS*.THydrogen-bonded Turntrans63.724.2-179-45.5-58.3-177.9-174.30113.9A103 R104 H105A103-K107 PolarHBondContact O-N 2.67Å; R104-K107 WeakPolarHBondContact O-CA 3.36Å; R104-K107 PolarHBondContact O-N 3.06Å; H105-K107 PolarHBondContact O-N 3.49Å
108S96.2Very high95.9Very high27 Ų2775.3 Ų75.319%0.18938%0.38CS..  trans-88.3141.7172.6-174.50000110.4A103 R106 T110A103-S108 CarbonylContact C-O 3.41Å; A103-S108 WeakPolarHBondContact O-CB 3.25Å; A103-S108 PolarHBondContact O-N 3.15Å; R106-S108 PolarHBondContact O-N 3.38Å; S108-T110 PolarHBondContact OG-N 3.18Å; S108-T110 PolarHBondContact OG-O 3.32Å
109S96.1Very high95.8Very high127 Ų12775.7 Ų75.789%0.88838%0.379SS*.SBendtrans-92.3-3.7165.953.70000112.6
110T96.6Very high95.7Very high87 Ų8776.6 Ų76.653%0.53438%0.384SS..SBendtrans-112.2125.7-179.2-54.20000109.6R106 S108R106-T110 PolarHBondContact NH2-O 2.74Å; R106-T110 VanDerWaalsContact NH2-O 3.17Å; S108-T110 PolarHBondContact OG-N 3.18Å; S108-T110 PolarHBondContact OG-O 3.32Å
111L96.9Very high95.5Very high83 Ų8376 Ų7644%0.43538%0.376SS..  trans-73.2125.8172.4-178.6132.6000109.4A99 C100 V116A99-L111 HydrophobicContact CB-CD1 3.83Å; C100-L111 VanDerWaalsContact SG-CD1 3.57Å; L111-V116 HydrophobicContact CD2-CG2 4.16Å
112E93.6Very high95.2Very high75 Ų7579.1 Ų79.135%0.3538%0.383SS..  trans-112.9161.3177-71.8171.4-156.600111.2R106 K114 D115R106-E112 VanDerWaalsContact CZ-CD 3.43Å; R106-E112 IonicContact CZ-OE1 3.53Å; R106-E112 IonicContact CZ-OE2 3.57Å; R106-E112 IonicContact NH1-OE1 2.88Å; R106-E112 PolarHBondContact NH1-OE1 3.17Å; R106-E112 IonicContact NH1-OE2 2.79Å; R106-E112 PolarHBondContact NH1-OE2 2.94Å; R106-E112 VanDerWaalsContact NH2-CB 3.3Å; R106-E112 IonicContact NH2-OE1 2.94Å; R106-E112 PolarHBondContact NH2-OE1 2.79Å; R106-E112 IonicContact NH2-OE2 3.71Å; R106-E112 PolarHBondContact NH2-OE2 3.43Å; E112-K114 PolarHBondContact O-N 3.02Å; E112-K114 VanDerWaalsContact O-N 3.17Å; E112-D115 PolarHBondContact N-OD2 2.83Å; E112-D115 WeakPolarHBondContact O-CB 3.45Å; E112-D115 PolarHBondContact O-N 3.18Å
113V93.8Very high95.1Very high86 Ų8683.5 Ų83.552%0.52140%0.402SS..Hα-helixtrans-53.8-36.6176.3178.30000112.2D115 V116 Q117 F131V113-D115 PolarHBondContact O-N 3.47Å; V113-V116 PolarHBondContact O-N 2.93Å; V113-Q117 WeakPolarHBondContact O-CB 3.44Å; V113-Q117 PolarHBondContact O-N 2.82Å; V113-F131 HydrophobicContact CG1-CD1 3.84Å
114K92.1Very high95Very high109 Ų10989 Ų8947%0.47442%0.422SS..Hα-helixtrans-60.7-32.3178.9-65.8175.4176.4173.50112.7E112 L118 E134E112-K114 PolarHBondContact O-N 3.02Å; E112-K114 VanDerWaalsContact O-N 3.17Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.3Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.09Å; K114-E134 WeakPolarHBondContact CE-OE2 3.44Å; K114-E134 IonicContact NZ-OE2 2.83Å; K114-E134 PolarHBondContact NZ-OE2 2.94Å
115D94.5Very high94.8Very high8 Ų887.2 Ų87.24%0.04343%0.426CS..Hα-helixtrans-70.3-44.6-179.3-56.5-52.2000110.4A99 L102 A103 R106 E112 V113 H119A99-D115 HydrophobicContact CB-CB 4.18Å; A99-D115 WeakPolarHBondContact O-CB 3.29Å; L102-D115 HydrophobicContact CB-CB 4.08Å; L102-D115 WeakPolarHBondContact CD1-O 3.16Å; A103-D115 WeakPolarHBondContact CB-OD2 3.45Å; A103-D115 PolarHBondContact N-OD1 3.4Å; R106-D115 IonicContact CZ-OD1 3.84Å; R106-D115 IonicContact CZ-OD2 2.84Å; R106-D115 IonicContact NE-OD1 3.34Å; R106-D115 PolarHBondContact NE-OD1 2.96Å; R106-D115 IonicContact NE-OD2 2.59Å; R106-D115 IonicContact NH2-OD1 3Å; R106-D115 IonicContact NH2-OD2 2.88Å; R106-D115 PolarHBondContact NH2-OD2 3.47Å; E112-D115 PolarHBondContact N-OD2 2.83Å; E112-D115 WeakPolarHBondContact O-CB 3.45Å; E112-D115 PolarHBondContact O-N 3.18Å; V113-D115 PolarHBondContact O-N 3.47Å; D115-H119 PolarHBondContact O-N 2.96Å
116V95.9Very high94.7Very high42 Ų4284.1 Ų84.126%0.25541%0.413SS..Hα-helixtrans-67.2-48.4176.9179.90000110.7V95 A99 L111 V113 L118 H119 L120V95-V116 HydrophobicContact CG1-CG1 3.91Å; A99-V116 HydrophobicContact CB-CB 4.39Å; A99-V116 HydrophobicContact CB-CG2 3.68Å; L111-V116 HydrophobicContact CD2-CG2 4.16Å; V113-V116 PolarHBondContact O-N 2.93Å; V116-L118 PolarHBondContact O-N 3.4Å; V116-H119 PolarHBondContact O-N 2.87Å; V116-H119 VanDerWaalsContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.49Å
117Q93.4Very high94.4Very high19 Ų1987.7 Ų87.79%0.08943%0.427CS..Hα-helixtrans-58-46.8-178.5176.3169.1-3.400112.4V113 H119 L120 E121 F131V113-Q117 WeakPolarHBondContact O-CB 3.44Å; V113-Q117 PolarHBondContact O-N 2.82Å; Q117-H119 PolarHBondContact O-N 3.16Å; Q117-L120 PolarHBondContact O-N 3.04Å; Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.33Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CG 3.25Å; Q117-E121 PolarHBondContact O-N 3.47Å; Q117-F131 PolarHBondContact NE2-O 2.89Å
118L92.4Very high94Very high52 Ų5281.8 Ų81.827%0.27240%0.403SS..Hα-helixtrans-58.9-37.1179.6-17764.9000112L102 K114 V116 R122L102-L118 HydrophobicContact CD1-CB 4.32Å; L102-L118 HydrophobicContact CD1-CD2 4.18Å; L102-L118 HydrophobicContact CD1-CG 4.46Å; L102-L118 HydrophobicContact CD2-CD2 4.15Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.3Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.09Å; V116-L118 PolarHBondContact O-N 3.4Å; L118-R122 HydrophobicContact CD1-CG 4.21Å; L118-R122 VanDerWaalsContact CD1-NE 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.38Å
119H95.6Very high93.6Very high24 Ų2484.8 Ų84.811%0.11142%0.423CS..Hα-helixtrans-72.1-43.5178.6-172.269.7000112A98 L102 D115 V116 Q117 E121 R122 Q123 W124A98-H119 WeakPolarHBondContact CB-CE1 3.41Å; A98-H119 VanDerWaalsContact CB-ND1 3.3Å; A98-H119 WeakPolarHBondContact CB-ND1 3.41Å; L102-H119 HydrophobicContact CD1-CB 4.19Å; D115-H119 PolarHBondContact O-N 2.96Å; V116-H119 PolarHBondContact O-N 2.87Å; V116-H119 VanDerWaalsContact O-N 3.15Å; Q117-H119 PolarHBondContact O-N 3.16Å; H119-E121 PolarHBondContact O-N 3.24Å; H119-R122 PolarHBondContact O-N 2.9Å; H119-Q123 WeakPolarHBondContact O-CB 3.33Å; H119-Q123 PolarHBondContact O-N 2.89Å; H119-W124 AromaticContact NE2-NE1 3.68Å
120L95.8Very high92.9Very high20 Ų2082.7 Ų82.711%0.10542%0.421CS..Iπ-helixtrans-60.5-44.4176.4-69.2177.3000112.2F91 V95 V116 Q117 W124 N125 M126 I128F91-L120 HydrophobicContact CE2-CD2 4.26Å; F91-L120 HydrophobicContact CZ-CD2 3.74Å; V95-L120 HydrophobicContact CG1-CD2 4.27Å; V95-L120 HydrophobicContact CG2-CD2 3.97Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.49Å; Q117-L120 PolarHBondContact O-N 3.04Å; L120-W124 HydrophobicContact CD2-CG 4.48Å; L120-W124 CarbonylContact O-C 3.54Å; L120-W124 WeakPolarHBondContact O-CA 3.47Å; L120-W124 WeakPolarHBondContact O-CB 3.2Å; L120-W124 PolarHBondContact O-N 3.28Å; L120-W124 VanDerWaalsContact O-N 3.08Å; L120-N125 PolarHBondContact O-N 2.97Å; L120-M126 CarbonylContact C-O 3.54Å; L120-M126 HydrophobicContact CB-CB 4.4Å; L120-M126 PolarHBondContact O-N 3.37Å; L120-M126 VanDerWaalsContact O-N 3.14Å; L120-I128 HydrophobicContact CD1-CG1 4.41Å
121E92.4Very high92Very high40 Ų4084.1 Ų84.119%0.18742%0.42CS..Iπ-helixtrans-68.4-40.4180-71.1178.9-170.700112.3Q117 H119 N125 M126 I136Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.33Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CG 3.25Å; Q117-E121 PolarHBondContact O-N 3.47Å; H119-E121 PolarHBondContact O-N 3.24Å; E121-N125 WeakPolarHBondContact O-CA 3.42Å; E121-M126 WeakPolarHBondContact CA-O 3.36Å; E121-M126 WeakPolarHBondContact CG-O 3.3Å; E121-M126 PolarHBondContact N-O 3.42Å; E121-I136 WeakPolarHBondContact OE2-CD1 3.42Å
122R92.3Very high90.3Very high182 Ų18282 Ų8269%0.68742%0.418SS*.Iπ-helixtrans-85.2-30.9-173.9-70.7-172.5175.1-152.83.5115L118 H119L118-R122 HydrophobicContact CD1-CG 4.21Å; L118-R122 VanDerWaalsContact CD1-NE 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.38Å; H119-R122 PolarHBondContact O-N 2.9Å
123Q94.8Very high88.5Confident143 Ų14384.5 Ų84.567%0.66844%0.444SS*.Iπ-helixtrans-106.4-34.2-176.1-69.7-66.4-95.800112.9H119H119-Q123 WeakPolarHBondContact O-CB 3.33Å; H119-Q123 PolarHBondContact O-N 2.89Å
124W95.8Very high86.8Confident118 Ų11886.9 Ų86.945%0.44745%0.45SS..Iπ-helixtrans-104.2-7.8-177.4-62.290.8000112.9F91 H119 L120 M126F91-W124 HydrophobicContact CD2-CD2 4Å; F91-W124 AromaticContact CD2-CE2 3.66Å; F91-W124 HydrophobicContact CD2-CE3 4.09Å; F91-W124 AromaticContact CD2-CH2 3.57Å; F91-W124 HydrophobicContact CD2-CH2 3.57Å; F91-W124 AromaticContact CD2-CZ2 3.46Å; F91-W124 HydrophobicContact CD2-CZ2 3.46Å; F91-W124 VanDerWaalsContact CD2-CZ2 3.46Å; F91-W124 AromaticContact CD2-CZ3 3.88Å; F91-W124 HydrophobicContact CD2-CZ3 3.88Å; F91-W124 AromaticContact CE2-CD2 3.54Å; F91-W124 HydrophobicContact CE2-CD2 3.54Å; F91-W124 AromaticContact CE2-CE2 3.52Å; F91-W124 AromaticContact CE2-CE3 3.86Å; F91-W124 HydrophobicContact CE2-CE3 3.86Å; F91-W124 AromaticContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CH2 4.15Å; F91-W124 AromaticContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ3 4.15Å; F91-W124 AromaticContact CE2-NE1 3.91Å; H119-W124 AromaticContact NE2-NE1 3.68Å; L120-W124 HydrophobicContact CD2-CG 4.48Å; L120-W124 CarbonylContact O-C 3.54Å; L120-W124 WeakPolarHBondContact O-CA 3.47Å; L120-W124 WeakPolarHBondContact O-CB 3.2Å; L120-W124 PolarHBondContact O-N 3.28Å; L120-W124 VanDerWaalsContact O-N 3.08Å; W124-M126 HydrophobicContact CB-CB 4.39Å; W124-M126 HydrophobicContact CB-CG 3.91Å; W124-M126 HydrophobicContact CB-SD 4.09Å; W124-M126 PolarHBondContact O-N 3.11Å; W124-M126 VanDerWaalsContact O-N 3.14Å
125N93.5Very high84.8Confident148 Ų14888.3 Ų88.379%0.79146%0.458SS*.  trans52.532.3-174.5-158.681000111.8L120 E121L120-N125 PolarHBondContact O-N 2.97Å; E121-N125 WeakPolarHBondContact O-CA 3.42Å
126M94.3Very high82.8Confident88 Ų8892.9 Ų92.943%0.43348%0.481SS..  trans-97.5127.6176.4-68.3-179.877.900109.1F91 L120 E121 W124F91-M126 HydrophobicContact CZ-SD 4.47Å; L120-M126 CarbonylContact C-O 3.54Å; L120-M126 HydrophobicContact CB-CB 4.4Å; L120-M126 PolarHBondContact O-N 3.37Å; L120-M126 VanDerWaalsContact O-N 3.14Å; E121-M126 WeakPolarHBondContact CA-O 3.36Å; E121-M126 WeakPolarHBondContact CG-O 3.3Å; E121-M126 PolarHBondContact N-O 3.42Å; W124-M126 HydrophobicContact CB-CB 4.39Å; W124-M126 HydrophobicContact CB-CG 3.91Å; W124-M126 HydrophobicContact CB-SD 4.09Å; W124-M126 PolarHBondContact O-N 3.11Å; W124-M126 VanDerWaalsContact O-N 3.14Å
127W90.3Very high80.9Confident173 Ų17398 Ų9866%0.65550%0.496SS*.  trans-114.3120.8174.3-176.477.2000109.3P129W127-P129 HydrophobicContact CE3-CB 4.37Å; W127-P129 HydrophobicContact CE3-CG 3.92Å; W127-P129 HydrophobicContact CH2-CB 4.01Å; W127-P129 HydrophobicContact CH2-CG 4.41Å; W127-P129 HydrophobicContact CZ3-CB 3.66Å; W127-P129 HydrophobicContact CZ3-CG 3.56Å; W127-P129 WeakPolarHBondContact O-CD 3.42Å
128I88.5Confident79.2Confident66 Ų66102.3 Ų102.334%0.33853%0.525SS..  trans-94.8112.9-179.2-49.4-76.1000108.4L120 F131L120-I128 HydrophobicContact CD1-CG1 4.41Å; I128-F131 HydrophobicContact CB-CB 4.44Å; I128-F131 HydrophobicContact CB-CD2 4.43Å; I128-F131 HydrophobicContact CG2-CB 4.43Å; I128-F131 HydrophobicContact CG2-CD2 3.55Å; I128-F131 HydrophobicContact CG2-CE2 4.19Å; I128-F131 HydrophobicContact CG2-CG 4.3Å; I128-F131 PolarHBondContact O-N 3.43Å
129P86.6Confident77.4Confident91 Ų91108.9 Ų108.959%0.59155%0.548SS*.THydrogen-bonded Turntrans-60.6142175.8-17.128.2000111.6W127 F131W127-P129 HydrophobicContact CE3-CB 4.37Å; W127-P129 HydrophobicContact CE3-CG 3.92Å; W127-P129 HydrophobicContact CH2-CB 4.01Å; W127-P129 HydrophobicContact CH2-CG 4.41Å; W127-P129 HydrophobicContact CZ3-CB 3.66Å; W127-P129 HydrophobicContact CZ3-CG 3.56Å; W127-P129 WeakPolarHBondContact O-CD 3.42Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å
130G82.9Confident75.6Confident83 Ų83115.3 Ų115.386%0.85658%0.576SS**THydrogen-bonded Turntrans82.3-3.117800000115.1
131F75.8Confident73.9Confident116 Ų116123.9 Ų123.951%0.50961%0.612SS.*SBendtrans-115.6138.3174.7-70.6-91.8000111.3V113 Q117 I128 P129V113-F131 HydrophobicContact CG1-CD1 3.84Å; Q117-F131 PolarHBondContact NE2-O 2.89Å; I128-F131 HydrophobicContact CB-CB 4.44Å; I128-F131 HydrophobicContact CB-CD2 4.43Å; I128-F131 HydrophobicContact CG2-CB 4.43Å; I128-F131 HydrophobicContact CG2-CD2 3.55Å; I128-F131 HydrophobicContact CG2-CE2 4.19Å; I128-F131 HydrophobicContact CG2-CG 4.3Å; I128-F131 PolarHBondContact O-N 3.43Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å
132G62.4Low72.5Confident39 Ų39124.9 Ų124.940%0.40263%0.627SS.*  trans6647.6176.700000116.3E134G132-E134 PolarHBondContact O-N 3.43Å
133S55.4Low71.1Confident128 Ų128121.7 Ų121.790%0.89563%0.632SS**  trans-63.60.7166.276.70000113.9E135S133-E135 PolarHBondContact O-N 3.47Å
134E58.5Low70.1Confident136 Ų136118.2 Ų118.264%0.63662%0.62SS**SBendtrans-81.380172.7-156.5151.2-151.500108.4K114 G132 I136K114-E134 WeakPolarHBondContact CE-OE2 3.44Å; K114-E134 IonicContact NZ-OE2 2.83Å; K114-E134 PolarHBondContact NZ-OE2 2.94Å; G132-E134 PolarHBondContact O-N 3.43Å; E134-I136 PolarHBondContact O-N 3.14Å
135E49.9Very low69.7Low139 Ų139116.9 Ų116.965%0.6563%0.625SS**  trans0.495.5163.7-157.4-177.8-135.200112S133 R137S133-E135 PolarHBondContact O-N 3.47Å; E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 IonicContact OE2-NH2 3.69Å
136I53.4Low69.4Low103 Ų103115.8 Ų115.853%0.52862%0.615SS.*  trans-62.583.9154.1-62.4169.2000103.8E121 E134 P138E121-I136 WeakPolarHBondContact OE2-CD1 3.42Å; E134-I136 PolarHBondContact O-N 3.14Å; I136-P138 WeakPolarHBondContact O-CD 3.32Å
137R54.4Low69.1Low151 Ų151114.7 Ų114.757%0.5762%0.621SS**  trans-49.6124.1176.9179.6174.7-68-141.22.9104.9E135 Y139E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 IonicContact OE2-NH2 3.69Å; R137-Y139 PolarHBondContact O-N 2.65Å
138P57.4Low69.1Low108 Ų108110.4 Ų110.470%0.70161%0.607SS**  trans-45.9117.7174.6-26.832.2000106.9I136 K140I136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-K140 PolarHBondContact O-N 3.26Å
139Y54.6Low69.2Low190 Ų190111.6 Ų111.675%0.74561%0.61SS**  trans-33.2110.6-178.3176.3-98.7000108.3R137 K141 A142R137-Y139 PolarHBondContact O-N 2.65Å; Y139-K141 PolarHBondContact O-N 2.88Å; Y139-A142 HydrophobicContact CE1-CB 4.3Å
140K58.6Low69.4Low159 Ų159113 Ų11369%0.69161%0.609SS**  trans-51.3114.9174.6-80.4-170.9169.9-175.90104.6P138 A142P138-K140 PolarHBondContact O-N 3.26Å; K140-A142 PolarHBondContact O-N 3.16Å
141K59.4Low69.8Low200 Ų200116.3 Ų116.387%0.8760%0.596SS**  trans-46.5120.5179.9-73-162.7176.8-176.90106.3Y139 C143Y139-K141 PolarHBondContact O-N 2.88Å; K141-C143 PolarHBondContact O-N 3.12Å; K141-C143 VanDerWaalsContact O-N 3.14Å
142A64.1Low70.6Confident61 Ų61113.4 Ų113.450%0.50458%0.584SS.*  trans-45.7129.3179.600000107.3Y139 K140 T144Y139-A142 HydrophobicContact CE1-CB 4.3Å; K140-A142 PolarHBondContact O-N 3.16Å; A142-T144 PolarHBondContact O-N 3.48Å
143C63.1Low71.8Confident116 Ų116113.7 Ų113.778%0.78458%0.582SS**PPolyproline II helixtrans-51118.2177.3-174.80000106.7K141 T145K141-C143 PolarHBondContact O-N 3.12Å; K141-C143 VanDerWaalsContact O-N 3.14Å; C143-T145 PolarHBondContact O-N 3.48Å; C143-T145 VanDerWaalsContact O-N 3.16Å
144T73.4Confident73.5Confident69 Ų69113 Ų11342%0.42357%0.568SS.*PPolyproline II helixtrans-61.7124.6-176.945.60000107.6A142 K149A142-T144 PolarHBondContact O-N 3.48Å; T144-K149 VanDerWaalsContact O-CE 3.29Å; T144-K149 WeakPolarHBondContact O-CE 3.43Å; T144-K149 WeakPolarHBondContact OG1-CE 3.39Å
145T87.3Confident75Confident91 Ų91109.6 Ų109.656%0.55855%0.554SS**PPolyproline II helixtrans-60148178.961.10000109.4C143 A147 H148 K149C143-T145 PolarHBondContact O-N 3.48Å; C143-T145 VanDerWaalsContact O-N 3.16Å; T145-A147 PolarHBondContact O-N 3.21Å; T145-H148 WeakPolarHBondContact O-CA 3.29Å; T145-H148 WeakPolarHBondContact O-CB 3.47Å; T145-H148 PolarHBondContact O-N 3.03Å; T145-H148 WeakPolarHBondContact OG1-CB 3.33Å; T145-H148 PolarHBondContact OG1-N 3.35Å; T145-K149 PolarHBondContact O-N 3.41Å
146E88.1Confident76.8Confident124 Ų124111.7 Ų111.758%0.57956%0.556SS**Hα-helixtrans-50.5-40.9175.9-73.1-77.9106.500111.2H148 K149 Q150E146-H148 PolarHBondContact O-N 3.09Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.03Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.98Å; E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.02Å
147A87.6Confident78.4Confident66 Ų66114.9 Ų114.955%0.54557%0.566SS.*Hα-helixtrans-59.6-42.2174.200000113.1T145 Q150 R151T145-A147 PolarHBondContact O-N 3.21Å; A147-Q150 PolarHBondContact O-N 3.5Å; A147-R151 PolarHBondContact O-N 3.43Å
148H88.6Confident79.7Confident82 Ų82112.4 Ų112.438%0.3857%0.567SS.*Hα-helixtrans-66-40.3176.7-174.679.3000111.7T145 E146 R151 M152T145-H148 WeakPolarHBondContact O-CA 3.29Å; T145-H148 WeakPolarHBondContact O-CB 3.47Å; T145-H148 PolarHBondContact O-N 3.03Å; T145-H148 WeakPolarHBondContact OG1-CB 3.33Å; T145-H148 PolarHBondContact OG1-N 3.35Å; E146-H148 PolarHBondContact O-N 3.09Å; H148-R151 PolarHBondContact O-N 2.97Å; H148-M152 WeakPolarHBondContact O-CG 3.16Å; H148-M152 PolarHBondContact O-N 2.98Å
149K91.5Very high80.5Confident92 Ų92112.3 Ų112.340%0.457%0.565SS.*Hα-helixtrans-61.8-45.4175.5-61.7178.1-165.7162.70111.6T144 T145 E146 M152 A153T144-K149 VanDerWaalsContact O-CE 3.29Å; T144-K149 WeakPolarHBondContact O-CE 3.43Å; T144-K149 WeakPolarHBondContact OG1-CE 3.39Å; T145-K149 PolarHBondContact O-N 3.41Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.03Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.98Å; K149-M152 PolarHBondContact O-N 3.4Å; K149-A153 PolarHBondContact O-N 3.46Å
150Q91.7Very high81Confident120 Ų120112.5 Ų112.556%0.56157%0.57SS**Hα-helixtrans-61.1-47.2177.2-71.1173.92.300111.4E146 A147 M152 A153 L154E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.02Å; A147-Q150 PolarHBondContact O-N 3.5Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 3.12Å; Q150-A153 WeakPolarHBondContact O-CB 3.5Å; Q150-A153 PolarHBondContact O-N 3.41Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; Q150-L154 WeakPolarHBondContact O-CD1 3.46Å; Q150-L154 PolarHBondContact O-N 3.42Å
151R90.6Very high80.6Confident153 Ų153117.4 Ų117.458%0.57759%0.591SS**Hα-helixtrans-56.3-47.8174.9-178.9179.8177.8-96-0.7111.7A147 H148 A153 L154 I155A147-R151 PolarHBondContact O-N 3.43Å; H148-R151 PolarHBondContact O-N 2.97Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.32Å; R151-L154 PolarHBondContact O-N 2.98Å; R151-I155 HydrophobicContact CG-CD1 4.01Å; R151-I155 WeakPolarHBondContact O-CG1 3.38Å; R151-I155 PolarHBondContact O-N 3.29Å
152M91.8Very high81.7Confident55 Ų55113.3 Ų113.327%0.27158%0.577SS.*Hα-helixtrans-60.8-38.4177.4-73.1-62.4104.800112.1H148 K149 Q150 I155 R156H148-M152 WeakPolarHBondContact O-CG 3.16Å; H148-M152 PolarHBondContact O-N 2.98Å; K149-M152 PolarHBondContact O-N 3.4Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 3.12Å; M152-I155 HydrophobicContact CE-CD1 3.65Å; M152-I155 PolarHBondContact O-N 2.94Å; M152-R156 VanDerWaalsContact O-CG 3.32Å; M152-R156 WeakPolarHBondContact O-CG 3.35Å; M152-R156 PolarHBondContact O-N 3.44Å
153A89.4Confident82.6Confident44 Ų44116 Ų11636%0.36458%0.581SS.*Hα-helixtrans-66.4-41176.900000112.5K149 Q150 R151 R156 K157K149-A153 PolarHBondContact O-N 3.46Å; Q150-A153 WeakPolarHBondContact O-CB 3.5Å; Q150-A153 PolarHBondContact O-N 3.41Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.32Å; A153-R156 PolarHBondContact O-N 2.96Å; A153-K157 WeakPolarHBondContact O-CG 3.46Å; A153-K157 PolarHBondContact O-N 3.03Å; A153-K157 VanDerWaalsContact O-N 3.12Å
154L89.5Confident83.7Confident114 Ų114116 Ų11660%0.59757%0.57SS**Hα-helixtrans-62.9-46174.4-89.479.5000111.3Q150 R151 R156 K157 T158Q150-L154 WeakPolarHBondContact O-CD1 3.46Å; Q150-L154 PolarHBondContact O-N 3.42Å; R151-L154 PolarHBondContact O-N 2.98Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-R156 PolarHBondContact O-N 2.9Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.28Å; L154-K157 VanDerWaalsContact O-N 3.09Å; L154-T158 WeakPolarHBondContact O-CG2 3.46Å; L154-T158 PolarHBondContact O-N 3.36Å; L154-T158 PolarHBondContact O-OG1 3.31Å
155I90.4Very high84.3Confident65 Ų65118.8 Ų118.833%0.33358%0.578SS.*Hα-helixtrans-59.4-44.6178.2-68.4169.7000111.3R151 M152 K157 T158 T159R151-I155 HydrophobicContact CG-CD1 4.01Å; R151-I155 WeakPolarHBondContact O-CG1 3.38Å; R151-I155 PolarHBondContact O-N 3.29Å; M152-I155 HydrophobicContact CE-CD1 3.65Å; M152-I155 PolarHBondContact O-N 2.94Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.18Å; I155-T158 PolarHBondContact O-N 3.34Å; I155-T158 PolarHBondContact O-OG1 3.24Å; I155-T159 PolarHBondContact O-N 3.04Å; I155-T159 PolarHBondContact O-OG1 3.5Å
156R88.6Confident84.1Confident182 Ų182120.5 Ų120.569%0.68758%0.58SS**Hα-helixtrans-62.9-31.5176.6-72.1175.9-169.5-178.43.2112.9M152 A153 L154M152-R156 VanDerWaalsContact O-CG 3.32Å; M152-R156 WeakPolarHBondContact O-CG 3.35Å; M152-R156 PolarHBondContact O-N 3.44Å; A153-R156 PolarHBondContact O-N 2.96Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-R156 PolarHBondContact O-N 2.9Å
157K86.8Confident83.8Confident170 Ų170120.3 Ų120.374%0.73958%0.58SS**Hα-helixtrans-73.5-34.6176.1-75.8178.7177.4-176.20111.9A153 L154 I155A153-K157 WeakPolarHBondContact O-CG 3.46Å; A153-K157 PolarHBondContact O-N 3.03Å; A153-K157 VanDerWaalsContact O-N 3.12Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.28Å; L154-K157 VanDerWaalsContact O-N 3.09Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.18Å
158T81.3Confident83.6Confident99 Ų99124.1 Ų124.161%0.60758%0.582SS**Hα-helixtrans-83.3-27.7-177.955.10000113.7L154 I155 K160L154-T158 WeakPolarHBondContact O-CG2 3.46Å; L154-T158 PolarHBondContact O-N 3.36Å; L154-T158 PolarHBondContact O-OG1 3.31Å; I155-T158 PolarHBondContact O-N 3.34Å; I155-T158 PolarHBondContact O-OG1 3.24Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.39Å
159T74.5Confident83.2Confident107 Ų107127.4 Ų127.466%0.65660%0.598SS**THydrogen-bonded Turntrans-81.2-4176.132.60000114.3I155 K161I155-T159 PolarHBondContact O-N 3.04Å; I155-T159 PolarHBondContact O-OG1 3.5Å; T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.69Å
160K64.1Low82.5Confident194 Ų194130.3 Ų130.384%0.84361%0.614SS**THydrogen-bonded Turntrans-93.123.7179.3-129.6179.6-176.1-174.40113.5T158T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.39Å
161K51.4Low81.6Confident261 Ų261131.3 Ų131.3100%1.13562%0.619SS**  trans-109.30176.3-95.2-171.6174.4-176.70110.7T159T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.69Å

Retrieved 161 of 161 residues in 778.9 ms (Link to these results)