PKNX1_HUMAN Loading...

Homeobox protein PKNOX1

Activates transcription in the presence of PBX1A and HOXA1.

AlphaFold DB , UniProt , Accession P55347, Species HUMAN (Homo sapiens, Human), Gene PKNOX1, Length 436 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.6Very low40.5Very low246 Ų246141.5 Ų141.5100%1.21280%0.801SS**  01070-69.8171.7175.300107.4
2M34.9Very low40.4Very low189 Ų189148.7 Ų148.793%0.93181%0.809SS**  trans-131.1121.8164.4-74.3-172.317400105.9T4M2-T4 PolarHBondContact O-N 2.9Å
3A36.5Very low40Very low98 Ų98151.2 Ų151.281%0.8181%0.812SS**  trans-82.3111.1179.800000108.2Q5A3-Q5 PolarHBondContact O-N 3.16Å; A3-Q5 VanDerWaalsContact O-N 3.16Å
4T39.1Very low39.7Very low129 Ų129151.7 Ų151.779%0.79181%0.814SS**  trans-66.5107.5165.345.20000108M2 T6M2-T4 PolarHBondContact O-N 2.9Å; T4-T6 PolarHBondContact O-N 3.39Å; T4-T6 VanDerWaalsContact O-N 3.07Å
5Q40.3Very low39.4Very low171 Ų171146.1 Ų146.180%0.79981%0.807SS**  trans-66.1106.6168-78.7-178.3-1100108.3A3 L7A3-Q5 PolarHBondContact O-N 3.16Å; A3-Q5 VanDerWaalsContact O-N 3.16Å; Q5-L7 PolarHBondContact O-N 2.88Å; Q5-L7 VanDerWaalsContact O-N 3.11Å
6T42.7Very low39.1Very low128 Ų128149.1 Ų149.179%0.78581%0.813SS**  trans-66.1102.5164.847.20000108.1T4T4-T6 PolarHBondContact O-N 3.39Å; T4-T6 VanDerWaalsContact O-N 3.07Å
7L44.3Very low38.6Very low155 Ų155150.6 Ų150.681%0.81281%0.813SS**  trans-69.5129.1172.7-68.2173.7000109.1Q5 I9Q5-L7 PolarHBondContact O-N 2.88Å; Q5-L7 VanDerWaalsContact O-N 3.11Å; L7-I9 PolarHBondContact O-N 3.04Å
8S39.5Very low38.5Very low100 Ų100151.7 Ų151.770%0.69981%0.814SS**  trans-69.2127-171.9-65.50000112.6D10S8-D10 PolarHBondContact O-N 3.21Å
9I50.6Low38.2Very low101 Ų101153.4 Ų153.452%0.51882%0.817SS.*THydrogen-bonded Turntrans-76.936.1176.2-163.5149.4000113.4L7 K99L7-I9 PolarHBondContact O-N 3.04Å; I9-K99 HydrophobicContact CG2-CD 4.08Å; I9-K99 PolarHBondContact O-NZ 3.29Å
10D44.6Very low38.1Very low134 Ų134150.8 Ų150.872%0.71781%0.806SS**THydrogen-bonded Turntrans-119.3-9.9-166.7-143.6-120.9000113.3S8 Y12S8-D10 PolarHBondContact O-N 3.21Å; D10-Y12 VanDerWaalsContact C-N 3.32Å; D10-Y12 PolarHBondContact O-N 2.71Å
11S40.2Very low37.9Very low105 Ų105149.9 Ų149.973%0.73481%0.806SS**  trans-87.513.8-174.6-53.60000115.4
12Y39.4Very low38.1Very low228 Ų228145.4 Ų145.489%0.89479%0.793SS**  trans-107.662.6175.5-78.1-80.5000111.6D10D10-Y12 VanDerWaalsContact C-N 3.32Å; D10-Y12 PolarHBondContact O-N 2.71Å
13Q35.5Very low38Very low182 Ų182145.6 Ų145.685%0.8579%0.791SS**  trans-130144.2155.1-77.7-169.1-12.300109.2
14D36Very low38.2Very low158 Ų158148.9 Ų148.985%0.84580%0.795SS**SBendtrans76.4102170.5-136.5-100.9000119.6Q16D14-Q16 PolarHBondContact O-N 3.17Å
15G34.7Very low38Very low68 Ų68150 Ų15070%0.70179%0.789SS**  82.2-16.3116.100000120.8Q17G15-Q17 PolarHBondContact O-N 3.07Å
16Q34.8Very low38Very low194 Ų194148.9 Ų148.991%0.90779%0.793SS**  trans-83.7108.6-174.3-88.8-177.6-12.400115.1D14 M18D14-Q16 PolarHBondContact O-N 3.17Å; Q16-M18 PolarHBondContact O-N 3.05Å
17Q31.4Very low37.9Very low174 Ų174149.3 Ų149.381%0.81379%0.787SS**  trans-61.5113.7170.5-61.8166.11000110.9G15 Q19G15-Q17 PolarHBondContact O-N 3.07Å; Q17-Q19 PolarHBondContact O-N 3.29Å
18M36.9Very low37.7Very low171 Ų171151.2 Ų151.284%0.84279%0.791SS**  trans-89.877.7170.3-163.365.7165.400110.1Q16 V20Q16-M18 PolarHBondContact O-N 3.05Å; M18-V20 HydrophobicContact CE-CG2 4.07Å; M18-V20 HydrophobicContact CG-CG2 4.17Å; M18-V20 PolarHBondContact O-N 2.62Å; M18-V20 VanDerWaalsContact O-N 3.08Å; M18-V20 HydrophobicContact SD-CG2 4.17Å
19Q32.8Very low37.7Very low183 Ų183153.7 Ų153.786%0.85580%0.797SS**  trans-7783.3176-175.5-179.96500110.1Q17Q17-Q19 PolarHBondContact O-N 3.29Å
20V35.6Very low37.3Very low101 Ų101154.3 Ų154.361%0.61281%0.807SS**  trans-139.7137.9174.8-164.60000110.4M18M18-V20 HydrophobicContact CE-CG2 4.07Å; M18-V20 HydrophobicContact CG-CG2 4.17Å; M18-V20 PolarHBondContact O-N 2.62Å; M18-V20 VanDerWaalsContact O-N 3.08Å; M18-V20 HydrophobicContact SD-CG2 4.17Å
21V34.6Very low37.1Very low133 Ų133155.2 Ų155.281%0.80681%0.812SS**SBendtrans76.559.7176.7-153.90000117.2
22T36.3Very low36.7Very low152 Ų152155.2 Ų155.293%0.93381%0.811SS**  trans-14670.6142.9-32.10000111.6
23E32.7Very low36.9Very low192 Ų192149.9 Ų149.990%0.89781%0.807SS**  trans-120.893.1173-161.9-176.9126.400110.9
24L39.3Very low37.2Very low168 Ų168150.3 Ų150.388%0.8881%0.809SS**  trans-143.376.6166.8-102.4171.2000110.5
25K35Very low37.7Very low153 Ų153148 Ų14867%0.66580%0.803SS**  52.7103.5129.7-170.4105.9172.2164.60118.2E27K25-E27 WeakPolarHBondContact CE-OE2 2.84Å; K25-E27 IonicContact NZ-OE2 2.65Å; K25-E27 PolarHBondContact NZ-OE2 2.92Å
26T40.9Very low38.1Very low146 Ų146152.6 Ų152.690%0.89681%0.811SS**  trans-133127.7145.5-61.30000109.2
27E40.6Very low38.7Very low138 Ų138146.9 Ų146.965%0.64580%0.797SS**  trans-90.2136.3178.8-641692700110.6K25K25-E27 WeakPolarHBondContact CE-OE2 2.84Å; K25-E27 IonicContact NZ-OE2 2.65Å; K25-E27 PolarHBondContact NZ-OE2 2.92Å
28Q39.8Very low39.2Very low195 Ų195148 Ų14891%0.91180%0.802SS**  trans-166150135.1-114.1172.1-2.900115
29D40.9Very low39.5Very low152 Ų152143.4 Ų143.481%0.81380%0.799SS**  trans-41.2155.1-169.3-90.7-109.1000121.6
30P40.7Very low39.9Very low114 Ų114142.1 Ų142.174%0.7480%0.803SS**  trans-95.2143.3173.837.4-31.7000113.5
31N41.4Very low40.6Very low152 Ų152142 Ų14281%0.81381%0.807SS**  trans-155.1132.2156.1-148.4-18.1000115.3
32C32.1Very low41.5Very low105 Ų105140.6 Ų140.671%0.70980%0.801SS**  trans56.3111.4155.3-95.40000122.9
33S42Very low42.3Very low116 Ų116138.8 Ų138.881%0.81179%0.791SS**  104.3122.9119.3-60.50000119.6
34E42.8Very low43.2Very low192 Ų192135.4 Ų135.490%0.89779%0.786SS**  trans-63.1172.3-175-90.1-170.796.900117.4
35P45.7Very low43.9Very low110 Ų110134 Ų13471%0.71479%0.785SS**  trans-108.1165.6-141.241.1-37000114.9
36D43.5Very low44.9Very low163 Ų163135.2 Ų135.287%0.87279%0.792SS**  trans-156.6152.4155.6-123.2-42.2000113.6
37A48.5Very low45.7Very low75 Ų75133.5 Ų133.562%0.6279%0.786SS**  trans55.9119.9162.200000122.5
38E40.1Very low46.6Very low197 Ų197132.7 Ų132.792%0.92178%0.783SS**  trans57.8105136.7-60.6-173.885.200120.7
39G43.3Very low48.5Very low75 Ų75126.1 Ų126.177%0.77376%0.756SS**  trans16870165.100000115.2S41G39-S41 VanDerWaalsContact C-N 3.26Å; G39-S41 PolarHBondContact O-N 3.4Å
40V43.2Very low50.4Low156 Ų156123.8 Ų123.895%0.94575%0.749SS**  trans-74.184169.4-179.20000109.3
41S48.8Very low52.5Low99 Ų99125.1 Ų125.169%0.69275%0.747SS**PPolyproline II helixtrans-89.2135.8160.4-175.20000108.6G39G39-S41 VanDerWaalsContact C-N 3.26Å; G39-S41 PolarHBondContact O-N 3.4Å
42P54.7Low54.8Low103 Ų103120.8 Ų120.867%0.66972%0.724SS**PPolyproline II helixtrans-61.5152.5169.127.9-34000110.2
43P52.5Low57.5Low113 Ų113119.6 Ų119.673%0.73471%0.713SS**PPolyproline II helixtrans-61.2152.9178.426.8-34.7000111.1V45P43-V45 PolarHBondContact O-N 3.39Å
44P51.2Low59.8Low122 Ų122118.6 Ų118.679%0.79270%0.699SS**PPolyproline II helixtrans-62.1134.1-177.726.8-34.3000110.4E46P44-E46 PolarHBondContact O-N 3.1Å
45V53.4Low62.1Low139 Ų139114.6 Ų114.684%0.84268%0.678SS**  trans-63.8108.2173179.70000107.9P43 S47P43-V45 PolarHBondContact O-N 3.39Å; V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.16Å
46E57.8Low64.3Low178 Ų178112.4 Ų112.483%0.83266%0.658SS**  trans-55.9121.3168.9-79.8-179.1107.800108.7P44 Q48P44-E46 PolarHBondContact O-N 3.1Å; E46-Q48 VanDerWaalsContact C-N 3.33Å; E46-Q48 PolarHBondContact O-N 2.88Å
47S56.8Low66.6Low110 Ų110106.6 Ų106.677%0.76963%0.633SS**  trans-68.991.2178.251.30000109.2V45 T49V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.16Å; S47-T49 PolarHBondContact O-N 3.4Å
48Q60.3Low68.7Low121 Ų121105.5 Ų105.557%0.56562%0.616SS**  trans-47.8124175.7-70.2-179.357.100109.7E46 D52E46-Q48 VanDerWaalsContact C-N 3.33Å; E46-Q48 PolarHBondContact O-N 2.88Å; Q48-D52 HydrophobicContact CB-CB 4.42Å
49T79.2Confident71.2Confident57 Ų57102.2 Ų102.235%0.3560%0.596SS.*  trans-74.3158.317473.40000109.1S47 M51 D52 V53S47-T49 PolarHBondContact O-N 3.4Å; T49-M51 PolarHBondContact O-N 2.58Å; T49-D52 WeakPolarHBondContact CB-OD2 3.26Å; T49-D52 PolarHBondContact N-OD2 3.01Å; T49-D52 WeakPolarHBondContact O-CB 3.42Å; T49-D52 PolarHBondContact O-N 2.93Å; T49-D52 PolarHBondContact OG1-N 3.1Å; T49-D52 PolarHBondContact OG1-OD2 3.4Å; T49-V53 PolarHBondContact O-N 3.12Å
50P81.2Confident73.5Confident103 Ų103107.6 Ų107.667%0.66959%0.593SS**Hα-helixtrans-52.2-38.5174-28.436.3000112.6D52 V53 D54P50-D52 VanDerWaalsContact C-N 3.28Å; P50-D52 PolarHBondContact O-N 2.97Å; P50-V53 WeakPolarHBondContact O-CB 3.37Å; P50-V53 PolarHBondContact O-N 3.23Å; P50-D54 PolarHBondContact O-N 3.11Å; P50-D54 VanDerWaalsContact O-N 3.07Å
51M84.9Confident75.9Confident141 Ų141100.4 Ų100.470%0.69555%0.549SS*.Hα-helixtrans-62.6-30.3176.3-61.1-174.5-61.100113.4T49 V53 K55T49-M51 PolarHBondContact O-N 2.58Å; M51-V53 VanDerWaalsContact C-N 3.31Å; M51-K55 WeakPolarHBondContact O-CB 3.32Å; M51-K55 PolarHBondContact O-N 2.88Å
52D89.7Confident78Confident62 Ų6297.1 Ų97.133%0.33253%0.526SS..Hα-helixtrans-72.5-27.3175.9-62.3-61.3000112.1Q48 T49 P50 Q56Q48-D52 HydrophobicContact CB-CB 4.42Å; T49-D52 WeakPolarHBondContact CB-OD2 3.26Å; T49-D52 PolarHBondContact N-OD2 3.01Å; T49-D52 WeakPolarHBondContact O-CB 3.42Å; T49-D52 PolarHBondContact O-N 2.93Å; T49-D52 PolarHBondContact OG1-N 3.1Å; T49-D52 PolarHBondContact OG1-OD2 3.4Å; P50-D52 VanDerWaalsContact C-N 3.28Å; P50-D52 PolarHBondContact O-N 2.97Å; D52-Q56 WeakPolarHBondContact O-CB 3.44Å; D52-Q56 VanDerWaalsContact O-CG 3.26Å; D52-Q56 WeakPolarHBondContact O-CG 3.17Å; D52-Q56 PolarHBondContact O-N 3.48Å; D52-Q56 VanDerWaalsContact O-N 3.12Å; D52-Q56 PolarHBondContact O-NE2 3.38Å; D52-Q56 VanDerWaalsContact O-NE2 3.1Å
53V88.9Confident79.9Confident79 Ų7993 Ų9348%0.47950%0.498SS..Hα-helixtrans-72.4-49172.8-175.90000109.6T49 P50 M51 K55 Q56 A57T49-V53 PolarHBondContact O-N 3.12Å; P50-V53 WeakPolarHBondContact O-CB 3.37Å; P50-V53 PolarHBondContact O-N 3.23Å; M51-V53 VanDerWaalsContact C-N 3.31Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.19Å; V53-Q56 WeakPolarHBondContact O-CB 3.34Å; V53-Q56 PolarHBondContact O-N 3.07Å; V53-Q56 VanDerWaalsContact O-N 3.1Å; V53-A57 PolarHBondContact O-N 3.25Å
54D89.2Confident81.9Confident95 Ų9590.3 Ų90.351%0.50848%0.475SS..Hα-helixtrans-58.3-45.5177-54.8-27.5000111.2P50 Q56 A57 I58P50-D54 PolarHBondContact O-N 3.11Å; P50-D54 VanDerWaalsContact O-N 3.07Å; D54-Q56 VanDerWaalsContact C-N 3.31Å; D54-Q56 PolarHBondContact O-N 3.44Å; D54-A57 WeakPolarHBondContact O-CB 3.17Å; D54-A57 PolarHBondContact O-N 3.04Å; D54-I58 WeakPolarHBondContact O-CG1 3.41Å; D54-I58 PolarHBondContact O-N 3.23Å
55K91.9Very high83.9Confident109 Ų10987.9 Ų87.947%0.47446%0.459SS..Hα-helixtrans-60.6-40176.3-166-165.8-168.7-167.10111.7M51 V53 Y59M51-K55 WeakPolarHBondContact O-CB 3.32Å; M51-K55 PolarHBondContact O-N 2.88Å; V53-K55 VanDerWaalsContact C-N 3.33Å; V53-K55 PolarHBondContact O-N 3.19Å; K55-Y59 HydrophobicContact CD-CE2 3.85Å; K55-Y59 WeakPolarHBondContact CE-OH 3.46Å; K55-Y59 HydrophobicContact CG-CD2 4.04Å; K55-Y59 HydrophobicContact CG-CE2 3.55Å; K55-Y59 WeakPolarHBondContact O-CD2 3.5Å; K55-Y59 PolarHBondContact O-N 3.28Å
56Q92.2Very high85.9Confident63 Ų6381.8 Ų81.829%0.29442%0.422SS..Hα-helixtrans-69.8-34.8175.4-84.2178.478.300113.4D52 V53 D54 Y59 R60D52-Q56 WeakPolarHBondContact O-CB 3.44Å; D52-Q56 VanDerWaalsContact O-CG 3.26Å; D52-Q56 WeakPolarHBondContact O-CG 3.17Å; D52-Q56 PolarHBondContact O-N 3.48Å; D52-Q56 VanDerWaalsContact O-N 3.12Å; D52-Q56 PolarHBondContact O-NE2 3.38Å; D52-Q56 VanDerWaalsContact O-NE2 3.1Å; V53-Q56 WeakPolarHBondContact O-CB 3.34Å; V53-Q56 PolarHBondContact O-N 3.07Å; V53-Q56 VanDerWaalsContact O-N 3.1Å; D54-Q56 VanDerWaalsContact C-N 3.31Å; D54-Q56 PolarHBondContact O-N 3.44Å; Q56-Y59 PolarHBondContact O-N 2.98Å; Q56-R60 WeakPolarHBondContact O-CB 3.14Å; Q56-R60 WeakPolarHBondContact O-CG 3.42Å; Q56-R60 PolarHBondContact O-N 2.94Å
57A91.8Very high87.7Confident41 Ų4173.9 Ų73.934%0.33939%0.385SS..Hα-helixtrans-62.3-47.8173.300000110.4V53 D54 Y59 R60 H61V53-A57 PolarHBondContact O-N 3.25Å; D54-A57 WeakPolarHBondContact O-CB 3.17Å; D54-A57 PolarHBondContact O-N 3.04Å; A57-Y59 PolarHBondContact O-N 3.04Å; A57-R60 PolarHBondContact O-N 3.46Å; A57-H61 PolarHBondContact O-N 3.08Å
58I92.4Very high89.5Confident52 Ų5270.3 Ų70.327%0.26736%0.362SS..Hα-helixtrans-58.2-46.5175.5-67.6166000111.7D54 R60 H61 F64 L117 M118D54-I58 WeakPolarHBondContact O-CG1 3.41Å; D54-I58 PolarHBondContact O-N 3.23Å; I58-R60 PolarHBondContact O-N 3.38Å; I58-H61 VanDerWaalsContact O-CB 3.26Å; I58-H61 WeakPolarHBondContact O-CB 3.43Å; I58-H61 PolarHBondContact O-N 3.32Å; I58-F64 HydrophobicContact CG2-CD2 4.24Å; I58-F64 WeakPolarHBondContact O-CD2 3.45Å; I58-L117 HydrophobicContact CD1-CD2 4.2Å; I58-M118 HydrophobicContact CG2-SD 3.98Å
59Y92.5Very high91.1Very high129 Ų12966.6 Ų66.651%0.50635%0.346SS..Hα-helixtrans-68.2-29.6179.3-74.6-48.8000114.3K55 Q56 A57 H61 F64K55-Y59 HydrophobicContact CD-CE2 3.85Å; K55-Y59 WeakPolarHBondContact CE-OH 3.46Å; K55-Y59 HydrophobicContact CG-CD2 4.04Å; K55-Y59 HydrophobicContact CG-CE2 3.55Å; K55-Y59 WeakPolarHBondContact O-CD2 3.5Å; K55-Y59 PolarHBondContact O-N 3.28Å; Q56-Y59 PolarHBondContact O-N 2.98Å; A57-Y59 PolarHBondContact O-N 3.04Å; Y59-H61 VanDerWaalsContact C-N 3.34Å; Y59-F64 HydrophobicContact CD1-CD2 4.1Å; Y59-F64 AromaticContact CD1-CE1 3.98Å; Y59-F64 HydrophobicContact CD1-CE1 3.98Å; Y59-F64 AromaticContact CD1-CE2 3.48Å; Y59-F64 HydrophobicContact CD1-CE2 3.48Å; Y59-F64 VanDerWaalsContact CD1-CE2 3.48Å; Y59-F64 AromaticContact CD1-CZ 3.43Å; Y59-F64 HydrophobicContact CD1-CZ 3.43Å; Y59-F64 VanDerWaalsContact CD1-CZ 3.43Å; Y59-F64 HydrophobicContact CE1-CE1 4.47Å; Y59-F64 AromaticContact CE1-CE2 3.78Å; Y59-F64 HydrophobicContact CE1-CE2 3.78Å; Y59-F64 AromaticContact CE1-CZ 3.62Å; Y59-F64 HydrophobicContact CE1-CZ 3.62Å
60R91.7Very high91.9Very high187 Ų18763.9 Ų63.971%0.70633%0.329SS*.Hα-helixtrans-85.4-7.7176.8-71.8-172.4174.9100.11.3113.3Q56 A57 I58Q56-R60 WeakPolarHBondContact O-CB 3.14Å; Q56-R60 WeakPolarHBondContact O-CG 3.42Å; Q56-R60 PolarHBondContact O-N 2.94Å; A57-R60 PolarHBondContact O-N 3.46Å; I58-R60 PolarHBondContact O-N 3.38Å
61H93.5Very high92.5Very high5 Ų564.5 Ų64.52%0.02332%0.322CS..SBendtrans-65.3136.4-176.1-167.3-89.4000112.3A57 I58 Y59 L63 F64 C109 D115 M118A57-H61 PolarHBondContact O-N 3.08Å; I58-H61 VanDerWaalsContact O-CB 3.26Å; I58-H61 WeakPolarHBondContact O-CB 3.43Å; I58-H61 PolarHBondContact O-N 3.32Å; Y59-H61 VanDerWaalsContact C-N 3.34Å; H61-L63 WeakPolarHBondContact ND1-CB 3.45Å; H61-L63 PolarHBondContact ND1-N 3.1Å; H61-L63 VanDerWaalsContact ND1-N 3.13Å; H61-L63 PolarHBondContact O-N 3.36Å; H61-L63 VanDerWaalsContact O-N 3.14Å; H61-F64 VanDerWaalsContact O-CB 3.23Å; H61-F64 WeakPolarHBondContact O-CB 3.37Å; H61-F64 PolarHBondContact O-N 2.77Å; H61-C109 VanDerWaalsContact CD2-SG 3.58Å; H61-D115 IonicContact CD2-OD1 3.31Å; H61-D115 IonicContact CE1-OD1 2.93Å; H61-D115 IonicContact NE2-OD1 2.69Å; H61-D115 PolarHBondContact NE2-OD1 2.91Å; H61-M118 HydrophobicContact CB-CE 4.1Å; H61-M118 HydrophobicContact CB-CG 4.29Å
62P92.3Very high92.9Very high31 Ų3162.1 Ų62.120%0.20131%0.309CS..THydrogen-bonded Turntrans-56.1-35.5-177.8-26.234000114.2F64 P65 F96 P106P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 3.49Å; P62-P65 VanDerWaalsContact O-CD 3.27Å; P62-P65 WeakPolarHBondContact O-CD 3.24Å; P62-F96 VanDerWaalsContact O-CZ 3.31Å; P62-F96 WeakPolarHBondContact O-CZ 3.37Å; P62-P106 VanDerWaalsContact CB-O 3.31Å; P62-P106 WeakPolarHBondContact CB-O 3.24Å; P62-P106 WeakPolarHBondContact CG-O 3.45Å
63L94Very high93.1Very high15 Ų1560.2 Ų60.28%0.07930%0.298CS..THydrogen-bonded Turntrans-76.8-4.6176.9-54.8179.2000115H61 P65 L66 L67 F96 F107 M118 V119 I122H61-L63 WeakPolarHBondContact ND1-CB 3.45Å; H61-L63 PolarHBondContact ND1-N 3.1Å; H61-L63 VanDerWaalsContact ND1-N 3.13Å; H61-L63 PolarHBondContact O-N 3.36Å; H61-L63 VanDerWaalsContact O-N 3.14Å; L63-P65 VanDerWaalsContact C-CD 3.5Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.14Å; L63-L67 PolarHBondContact O-N 3.33Å; L63-L67 VanDerWaalsContact O-N 3.08Å; L63-F96 HydrophobicContact CD2-CE1 3.71Å; L63-F96 HydrophobicContact CD2-CZ 4.04Å; L63-F107 HydrophobicContact CD2-CD1 4.44Å; L63-M118 HydrophobicContact CB-CE 4.19Å; L63-M118 HydrophobicContact CD1-CB 4.39Å; L63-V119 HydrophobicContact CD1-CG2 4.09Å; L63-I122 HydrophobicContact CB-CD1 4.08Å; L63-I122 HydrophobicContact CD1-CD1 4.28Å
64F94.7Very high93.4Very high58 Ų5857.1 Ų57.125%0.25428%0.28SS..Hα-helixtrans-56.7-42-177.4-178-96.1000114.3I58 Y59 H61 P62 L66 L67 A68 M118I58-F64 HydrophobicContact CG2-CD2 4.24Å; I58-F64 WeakPolarHBondContact O-CD2 3.45Å; Y59-F64 HydrophobicContact CD1-CD2 4.1Å; Y59-F64 AromaticContact CD1-CE1 3.98Å; Y59-F64 HydrophobicContact CD1-CE1 3.98Å; Y59-F64 AromaticContact CD1-CE2 3.48Å; Y59-F64 HydrophobicContact CD1-CE2 3.48Å; Y59-F64 VanDerWaalsContact CD1-CE2 3.48Å; Y59-F64 AromaticContact CD1-CZ 3.43Å; Y59-F64 HydrophobicContact CD1-CZ 3.43Å; Y59-F64 VanDerWaalsContact CD1-CZ 3.43Å; Y59-F64 HydrophobicContact CE1-CE1 4.47Å; Y59-F64 AromaticContact CE1-CE2 3.78Å; Y59-F64 HydrophobicContact CE1-CE2 3.78Å; Y59-F64 AromaticContact CE1-CZ 3.62Å; Y59-F64 HydrophobicContact CE1-CZ 3.62Å; H61-F64 VanDerWaalsContact O-CB 3.23Å; H61-F64 WeakPolarHBondContact O-CB 3.37Å; H61-F64 PolarHBondContact O-N 2.77Å; P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 3.49Å; F64-L66 VanDerWaalsContact C-N 3.28Å; F64-L66 PolarHBondContact O-N 3.19Å; F64-L67 PolarHBondContact O-N 3.37Å; F64-A68 HydrophobicContact CE1-CB 4.26Å; F64-A68 HydrophobicContact CZ-CB 4.35Å; F64-A68 WeakPolarHBondContact O-CB 3.47Å; F64-A68 PolarHBondContact O-N 2.94Å; F64-M118 HydrophobicContact CB-CE 4.22Å
65P93.6Very high93.5Very high70 Ų7057.9 Ų57.946%0.45528%0.28SS..Hα-helixtrans-60.8-35.6176.8-23.835.6000113.2P62 L63 L69 F96P62-P65 VanDerWaalsContact O-CD 3.27Å; P62-P65 WeakPolarHBondContact O-CD 3.24Å; L63-P65 VanDerWaalsContact C-CD 3.5Å; P65-L69 WeakPolarHBondContact O-CB 3.4Å; P65-L69 PolarHBondContact O-N 3.34Å; P65-F96 HydrophobicContact CB-CE2 4.37Å
66L94.6Very high93.5Very high12 Ų1255.9 Ų55.96%0.06327%0.272CS..Hα-helixtrans-71.9-38177.8-17564.1000111.5L63 F64 L70 F89 I93 F96 I122L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.14Å; F64-L66 VanDerWaalsContact C-N 3.28Å; F64-L66 PolarHBondContact O-N 3.19Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 2.89Å; L66-L70 VanDerWaalsContact O-N 3.11Å; L66-F89 HydrophobicContact CD1-CE2 3.64Å; L66-F89 HydrophobicContact CD1-CZ 3.76Å; L66-F89 HydrophobicContact CG-CE2 4.28Å; L66-F89 HydrophobicContact CG-CZ 4Å; L66-I93 HydrophobicContact CD1-CG1 4.03Å; L66-I93 HydrophobicContact CD2-CG1 4.3Å; L66-F96 HydrophobicContact CB-CD1 4.35Å; L66-F96 HydrophobicContact CB-CD2 4.14Å; L66-F96 HydrophobicContact CB-CE1 4.49Å; L66-F96 HydrophobicContact CB-CE2 4.29Å; L66-F96 HydrophobicContact CB-CG 4.18Å; L66-F96 HydrophobicContact CB-CZ 4.47Å; L66-F96 HydrophobicContact CD1-CB 4.19Å; L66-F96 HydrophobicContact CD1-CG 4.37Å; L66-F96 HydrophobicContact CD2-CD1 3.97Å; L66-F96 HydrophobicContact CD2-CE1 4.34Å; L66-F96 HydrophobicContact CD2-CG 4.39Å; L66-I122 HydrophobicContact CD2-CD1 4.3Å
67L95.5Very high93.4Very high11 Ų1153.3 Ų53.36%0.05826%0.261CS..Hα-helixtrans-64.1-44.6173179.363.7000111.6L63 F64 L70 F71 M118 A121 I122 L125L63-L67 PolarHBondContact O-N 3.33Å; L63-L67 VanDerWaalsContact O-N 3.08Å; F64-L67 PolarHBondContact O-N 3.37Å; L67-L70 PolarHBondContact O-N 3.32Å; L67-F71 HydrophobicContact CD1-CD2 4.2Å; L67-F71 HydrophobicContact CD1-CE2 3.87Å; L67-F71 HydrophobicContact CD2-CE2 4.4Å; L67-F71 HydrophobicContact CG-CD2 4.1Å; L67-F71 HydrophobicContact CG-CE2 3.92Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 PolarHBondContact O-N 3.13Å; L67-M118 HydrophobicContact CB-CE 4.1Å; L67-M118 HydrophobicContact CD2-CE 3.64Å; L67-M118 HydrophobicContact CD2-SD 3.82Å; L67-A121 HydrophobicContact CD1-CB 4.06Å; L67-I122 HydrophobicContact CB-CG1 4.23Å; L67-I122 HydrophobicContact CD1-CG1 4Å; L67-L125 HydrophobicContact CD1-CD1 3.49Å; L67-L125 VanDerWaalsContact CD1-CD1 3.49Å
68A95.6Very high93.3Very high35 Ų3555.9 Ų55.929%0.28927%0.273SS..Hα-helixtrans-61.9-44.5177.800000112.1F64 L70 F71 E72F64-A68 HydrophobicContact CE1-CB 4.26Å; F64-A68 HydrophobicContact CZ-CB 4.35Å; F64-A68 WeakPolarHBondContact O-CB 3.47Å; F64-A68 PolarHBondContact O-N 2.94Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.25Å; A68-F71 WeakPolarHBondContact O-CB 3.26Å; A68-F71 PolarHBondContact O-N 2.84Å; A68-E72 PolarHBondContact O-N 2.96Å
69L94.3Very high93.1Very high44 Ų4459.9 Ų59.923%0.2329%0.29CS..Hα-helixtrans-63.3-34.3176.3-173.864.8000112.6P65 E72 K73 D92P65-L69 WeakPolarHBondContact O-CB 3.4Å; P65-L69 PolarHBondContact O-N 3.34Å; L69-E72 PolarHBondContact O-N 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.28Å; L69-K73 PolarHBondContact O-N 3.35Å; L69-D92 HydrophobicContact CD2-CB 3.59Å
70L95.2Very high92.6Very high0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-69.3-38.8175-176.153.9000112.2L66 L67 A68 K73 C74 F89 I122 L125 R126 L129L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 2.89Å; L66-L70 VanDerWaalsContact O-N 3.11Å; L67-L70 PolarHBondContact O-N 3.32Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.25Å; L70-K73 PolarHBondContact O-N 3.24Å; L70-C74 PolarHBondContact O-N 3.31Å; L70-C74 PolarHBondContact O-SG 3.07Å; L70-F89 HydrophobicContact CB-CD2 4.38Å; L70-F89 HydrophobicContact CB-CE1 4.45Å; L70-F89 HydrophobicContact CB-CE2 3.67Å; L70-F89 HydrophobicContact CB-CZ 3.71Å; L70-F89 HydrophobicContact CD1-CD1 3.86Å; L70-F89 HydrophobicContact CD1-CD2 4.05Å; L70-F89 HydrophobicContact CD1-CE1 3.82Å; L70-F89 HydrophobicContact CD1-CE2 4.02Å; L70-F89 HydrophobicContact CD1-CG 3.97Å; L70-F89 HydrophobicContact CD1-CZ 3.91Å; L70-F89 HydrophobicContact CD2-CE1 3.83Å; L70-F89 HydrophobicContact CD2-CE2 4.49Å; L70-F89 HydrophobicContact CD2-CZ 3.75Å; L70-F89 HydrophobicContact CG-CE1 4.25Å; L70-F89 HydrophobicContact CG-CE2 4.25Å; L70-F89 HydrophobicContact CG-CZ 3.99Å; L70-I122 HydrophobicContact CD2-CB 4.49Å; L70-I122 HydrophobicContact CD2-CG2 4.12Å; L70-I122 WeakPolarHBondContact CD2-O 3.45Å; L70-L125 HydrophobicContact CD2-CB 3.46Å; L70-L125 VanDerWaalsContact CD2-CB 3.46Å; L70-L125 HydrophobicContact CD2-CD1 4.49Å; L70-L125 HydrophobicContact CG-CB 3.77Å; L70-R126 HydrophobicContact CD2-CB 4.48Å; L70-L129 HydrophobicContact CD1-CD2 3.94Å
71F94.8Very high91.7Very high115 Ų11548.4 Ų48.450%0.50426%0.264SS..Hα-helixtrans-60.6-46.3170.8-86.5-68.3000111.6L67 A68 K73 C74 E75 L125L67-F71 HydrophobicContact CD1-CD2 4.2Å; L67-F71 HydrophobicContact CD1-CE2 3.87Å; L67-F71 HydrophobicContact CD2-CE2 4.4Å; L67-F71 HydrophobicContact CG-CD2 4.1Å; L67-F71 HydrophobicContact CG-CE2 3.92Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 PolarHBondContact O-N 3.13Å; A68-F71 WeakPolarHBondContact O-CB 3.26Å; A68-F71 PolarHBondContact O-N 2.84Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 3.13Å; F71-C74 WeakPolarHBondContact O-CB 3.39Å; F71-C74 PolarHBondContact O-N 3.2Å; F71-C74 VanDerWaalsContact O-N 3.11Å; F71-E75 PolarHBondContact O-N 2.99Å; F71-L125 HydrophobicContact CD1-CD1 4.2Å; F71-L125 HydrophobicContact CD1-CD2 4.15Å; F71-L125 HydrophobicContact CD2-CD1 4Å; F71-L125 HydrophobicContact CE1-CD1 3.86Å; F71-L125 HydrophobicContact CE1-CD2 3.8Å; F71-L125 HydrophobicContact CE1-CG 4.48Å; F71-L125 HydrophobicContact CE2-CD1 3.64Å; F71-L125 HydrophobicContact CG-CD1 4.27Å; F71-L125 HydrophobicContact CZ-CD1 3.57Å; F71-L125 HydrophobicContact CZ-CD2 4.27Å
72E93.7Very high90.5Very high92 Ų9255.9 Ų55.943%0.4330%0.299SS..Hα-helixtrans-57.9-43.8177.2-166-164.2145.400111.5A68 L69 C74 E75 Q76A68-E72 PolarHBondContact O-N 2.96Å; L69-E72 PolarHBondContact O-N 3.3Å; E72-C74 PolarHBondContact O-N 2.85Å; E72-E75 PolarHBondContact O-N 3.4Å; E72-Q76 WeakPolarHBondContact O-CB 3.23Å; E72-Q76 WeakPolarHBondContact O-CG 3.33Å; E72-Q76 PolarHBondContact O-N 2.98Å; E72-Q76 PolarHBondContact OE1-NE2 2.92Å
73K93.5Very high89.6Confident22 Ų2257.2 Ų57.210%0.09632%0.318CS..Hα-helixtrans-63.5-40.3174.4-73.5-178.1-168.8-77.70113L69 L70 F71 E75 Q76 S77 T84 S88 F89 D92 L129L69-K73 WeakPolarHBondContact O-CG 3.28Å; L69-K73 PolarHBondContact O-N 3.35Å; L70-K73 PolarHBondContact O-N 3.24Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 3.13Å; K73-E75 VanDerWaalsContact C-N 3.33Å; K73-Q76 PolarHBondContact O-N 2.76Å; K73-S77 VanDerWaalsContact O-CB 3.29Å; K73-S77 WeakPolarHBondContact O-CB 3.49Å; K73-S77 PolarHBondContact O-N 3.3Å; K73-T84 HydrophobicContact CB-CG2 3.65Å; K73-T84 HydrophobicContact CD-CG2 4.45Å; K73-T84 HydrophobicContact CG-CG2 3.87Å; K73-T84 WeakPolarHBondContact O-CG2 3.2Å; K73-S88 PolarHBondContact NZ-OG 3.08Å; K73-F89 HydrophobicContact CD-CB 3.8Å; K73-F89 HydrophobicContact CD-CD2 3.91Å; K73-F89 HydrophobicContact CD-CG 4.25Å; K73-D92 WeakPolarHBondContact CE-OD2 3.4Å; K73-D92 IonicContact NZ-OD2 3.95Å; K73-D92 PolarHBondContact NZ-OD2 3.25Å; K73-L129 HydrophobicContact CB-CD1 4.24Å; K73-L129 HydrophobicContact CB-CD2 4.13Å; K73-L129 HydrophobicContact CD-CD2 4.31Å
74C93.9Very high89.1Confident14 Ų1457.2 Ų57.210%0.09532%0.319CS..Hα-helixtrans-62.7-42.8175.2-66.50000111L70 F71 E72 S77 T78 L132L70-C74 PolarHBondContact O-N 3.31Å; L70-C74 PolarHBondContact O-SG 3.07Å; F71-C74 WeakPolarHBondContact O-CB 3.39Å; F71-C74 PolarHBondContact O-N 3.2Å; F71-C74 VanDerWaalsContact O-N 3.11Å; E72-C74 PolarHBondContact O-N 2.85Å; C74-S77 PolarHBondContact O-N 2.93Å; C74-T78 WeakPolarHBondContact O-CG2 3.41Å; C74-T78 PolarHBondContact O-N 3.31Å; C74-T78 PolarHBondContact O-OG1 3.5Å; C74-L132 HydrophobicContact CB-CD1 4.41Å
75E92.4Very high88.7Confident111 Ų11156.8 Ų56.852%0.51932%0.321SS..Hα-helixtrans-60.3-54.3175-169.2-172.8167.200111.1F71 E72 K73 S77 T78 Q79F71-E75 PolarHBondContact O-N 2.99Å; E72-E75 PolarHBondContact O-N 3.4Å; K73-E75 VanDerWaalsContact C-N 3.33Å; E75-S77 PolarHBondContact O-N 3.01Å; E75-T78 PolarHBondContact O-N 3.44Å; E75-T78 PolarHBondContact O-OG1 3.14Å; E75-Q79 WeakPolarHBondContact O-CG 3.35Å; E75-Q79 PolarHBondContact O-N 3.31Å; E75-Q79 PolarHBondContact OE1-NE2 3.06Å
76Q91.5Very high88.4Confident66 Ų6653.7 Ų53.731%0.30830%0.301SS..Hα-helixtrans-54.3-40.6177-74.4-169.740.200112.6E72 K73 Q79 G80 S81 T84E72-Q76 WeakPolarHBondContact O-CB 3.23Å; E72-Q76 WeakPolarHBondContact O-CG 3.33Å; E72-Q76 PolarHBondContact O-N 2.98Å; E72-Q76 PolarHBondContact OE1-NE2 2.92Å; K73-Q76 PolarHBondContact O-N 2.76Å; Q76-Q79 PolarHBondContact O-N 3.28Å; Q76-G80 PolarHBondContact O-N 3.05Å; Q76-S81 PolarHBondContact O-N 3.08Å; Q76-S81 VanDerWaalsContact O-N 3.12Å; Q76-S81 PolarHBondContact O-OG 3.31Å; Q76-T84 HydrophobicContact CB-CG2 4.45Å; Q76-T84 PolarHBondContact OE1-OG1 3.14Å
77S90.9Very high88.1Confident9 Ų956.1 Ų56.16%0.06332%0.323CS..Hα-helixtrans-64.6-39.6176.3-163.70000112.3K73 C74 E75 G80 L132K73-S77 VanDerWaalsContact O-CB 3.29Å; K73-S77 WeakPolarHBondContact O-CB 3.49Å; K73-S77 PolarHBondContact O-N 3.3Å; C74-S77 PolarHBondContact O-N 2.93Å; E75-S77 PolarHBondContact O-N 3.01Å; S77-G80 PolarHBondContact O-N 3.26Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-L132 WeakPolarHBondContact OG-CB 3.35Å
78T89.6Confident87.9Confident96 Ų9657 Ų5759%0.58933%0.33SS*.Hα-helixtrans-70.4-28.3174.159.10000113.8C74 E75 G80 L132C74-T78 WeakPolarHBondContact O-CG2 3.41Å; C74-T78 PolarHBondContact O-N 3.31Å; C74-T78 PolarHBondContact O-OG1 3.5Å; E75-T78 PolarHBondContact O-N 3.44Å; E75-T78 PolarHBondContact O-OG1 3.14Å; T78-G80 PolarHBondContact O-N 3.38Å; T78-L132 HydrophobicContact CG2-CD1 3.81Å; T78-L132 HydrophobicContact CG2-CD2 3.7Å; T78-L132 HydrophobicContact CG2-CG 4.43Å
79Q88.1Confident87.8Confident135 Ų13555.4 Ų55.463%0.63132%0.317SS*.THydrogen-bonded Turntrans-74.1-8.6171.4-64.9-179.417.300113.1E75 Q76E75-Q79 WeakPolarHBondContact O-CG 3.35Å; E75-Q79 PolarHBondContact O-N 3.31Å; E75-Q79 PolarHBondContact OE1-NE2 3.06Å; Q76-Q79 PolarHBondContact O-N 3.28Å
80G81Confident87.7Confident38 Ų3855.5 Ų55.539%0.39232%0.317SS..THydrogen-bonded Turntrans77.325.718000000114.1Q76 S77 T78 E82Q76-G80 PolarHBondContact O-N 3.05Å; S77-G80 PolarHBondContact O-N 3.26Å; S77-G80 VanDerWaalsContact O-N 3.16Å; T78-G80 PolarHBondContact O-N 3.38Å; G80-E82 PolarHBondContact O-N 3.2Å
81S72.8Confident87.6Confident38 Ų3859 Ų5927%0.26634%0.338SS..  trans-63.6132.6177.974.90000111.4Q76 G83 T84Q76-S81 PolarHBondContact O-N 3.08Å; Q76-S81 VanDerWaalsContact O-N 3.12Å; Q76-S81 PolarHBondContact O-OG 3.31Å; S81-G83 PolarHBondContact O-N 2.9Å; S81-T84 PolarHBondContact OG-OG1 3.43Å
82E69.1Low87.6Confident161 Ų16155.3 Ų55.375%0.75232%0.324SS*.THydrogen-bonded Turntrans-82.198.5177.5-64.7-140.998.100110.4G80 K140G80-E82 PolarHBondContact O-N 3.2Å; E82-K140 WeakPolarHBondContact OE1-CE 3.29Å; E82-K140 IonicContact OE1-NZ 3.12Å; E82-K140 PolarHBondContact OE1-NZ 3.49Å
83G72.9Confident87.5Confident59 Ų5952.4 Ų52.461%0.60831%0.311SS*.THydrogen-bonded Turntrans153.2-21.4174.200000114.6S81 T85S81-G83 PolarHBondContact O-N 2.9Å; G83-T85 PolarHBondContact O-N 2.65Å; G83-T85 VanDerWaalsContact O-N 3.14Å
84T83.8Confident87.5Confident15 Ų1556.7 Ų56.79%0.09233%0.332CS..  trans-82.895.2-176.1-51.30000111.8K73 Q76 S81 L129K73-T84 HydrophobicContact CB-CG2 3.65Å; K73-T84 HydrophobicContact CD-CG2 4.45Å; K73-T84 HydrophobicContact CG-CG2 3.87Å; K73-T84 WeakPolarHBondContact O-CG2 3.2Å; Q76-T84 HydrophobicContact CB-CG2 4.45Å; Q76-T84 PolarHBondContact OE1-OG1 3.14Å; S81-T84 PolarHBondContact OG-OG1 3.43Å; T84-L129 HydrophobicContact CG2-CD1 4.27Å
85T86.5Confident87.4Confident49 Ų4959.4 Ų59.430%0.30135%0.345SS..  trans-107159.2174.263.40000111.1G83 A87 S88 E133G83-T85 PolarHBondContact O-N 2.65Å; G83-T85 VanDerWaalsContact O-N 3.14Å; T85-A87 PolarHBondContact O-N 3.21Å; T85-S88 WeakPolarHBondContact O-CB 3.38Å; T85-S88 PolarHBondContact O-N 2.96Å; T85-S88 VanDerWaalsContact O-N 3.08Å; T85-S88 PolarHBondContact O-OG 3.09Å; T85-S88 PolarHBondContact OG1-N 3.34Å; T85-S88 VanDerWaalsContact OG1-N 3.15Å; T85-E133 WeakPolarHBondContact CA-OE2 3.33Å; T85-E133 WeakPolarHBondContact CB-OE1 3.38Å; T85-E133 WeakPolarHBondContact CG2-OE1 3.49Å
86S86.5Confident87.5Confident5 Ų554.8 Ų54.84%0.03532%0.324CS..Hα-helixtrans-59.2-34.5170.3-179.60000111.9S88 F89 D90 E133S86-S88 PolarHBondContact O-N 2.66Å; S86-F89 WeakPolarHBondContact O-CB 3.32Å; S86-F89 PolarHBondContact O-N 3.11Å; S86-D90 PolarHBondContact O-N 3Å; S86-E133 PolarHBondContact N-OE2 2.9Å
87A89.7Confident87.5Confident63 Ų6353.3 Ų53.352%0.52132%0.319SS..Hα-helixtrans-64.6-28.2176.700000112.6T85 F89 D90T85-A87 PolarHBondContact O-N 3.21Å; A87-F89 PolarHBondContact O-N 2.93Å; A87-D90 PolarHBondContact O-N 3.39Å
88S91.2Very high87.4Confident31 Ų3159.3 Ų59.322%0.21734%0.34CS..Hα-helixtrans-64.7-30.8171.680.20000112.2K73 T85 S86 D92K73-S88 PolarHBondContact NZ-OG 3.08Å; T85-S88 WeakPolarHBondContact O-CB 3.38Å; T85-S88 PolarHBondContact O-N 2.96Å; T85-S88 VanDerWaalsContact O-N 3.08Å; T85-S88 PolarHBondContact O-OG 3.09Å; T85-S88 PolarHBondContact OG1-N 3.34Å; T85-S88 VanDerWaalsContact OG1-N 3.15Å; S86-S88 PolarHBondContact O-N 2.66Å; S88-D92 PolarHBondContact O-N 3.02Å; S88-D92 VanDerWaalsContact O-OD2 3.11Å
89F92.9Very high87.5Confident0 Ų057.7 Ų57.70%033%0.325CS..Hα-helixtrans-76.5-30.7178.3-176-116.5000112.6L66 L70 K73 S86 A87 V91 D92 I93 I122 L129L66-F89 HydrophobicContact CD1-CE2 3.64Å; L66-F89 HydrophobicContact CD1-CZ 3.76Å; L66-F89 HydrophobicContact CG-CE2 4.28Å; L66-F89 HydrophobicContact CG-CZ 4Å; L70-F89 HydrophobicContact CB-CD2 4.38Å; L70-F89 HydrophobicContact CB-CE1 4.45Å; L70-F89 HydrophobicContact CB-CE2 3.67Å; L70-F89 HydrophobicContact CB-CZ 3.71Å; L70-F89 HydrophobicContact CD1-CD1 3.86Å; L70-F89 HydrophobicContact CD1-CD2 4.05Å; L70-F89 HydrophobicContact CD1-CE1 3.82Å; L70-F89 HydrophobicContact CD1-CE2 4.02Å; L70-F89 HydrophobicContact CD1-CG 3.97Å; L70-F89 HydrophobicContact CD1-CZ 3.91Å; L70-F89 HydrophobicContact CD2-CE1 3.83Å; L70-F89 HydrophobicContact CD2-CE2 4.49Å; L70-F89 HydrophobicContact CD2-CZ 3.75Å; L70-F89 HydrophobicContact CG-CE1 4.25Å; L70-F89 HydrophobicContact CG-CE2 4.25Å; L70-F89 HydrophobicContact CG-CZ 3.99Å; K73-F89 HydrophobicContact CD-CB 3.8Å; K73-F89 HydrophobicContact CD-CD2 3.91Å; K73-F89 HydrophobicContact CD-CG 4.25Å; S86-F89 WeakPolarHBondContact O-CB 3.32Å; S86-F89 PolarHBondContact O-N 3.11Å; A87-F89 PolarHBondContact O-N 2.93Å; F89-V91 VanDerWaalsContact C-N 3.3Å; F89-V91 PolarHBondContact O-N 3.06Å; F89-D92 HydrophobicContact CD2-CB 4.4Å; F89-D92 PolarHBondContact O-N 3.19Å; F89-D92 VanDerWaalsContact O-N 3.09Å; F89-I93 HydrophobicContact CD1-CD1 3.87Å; F89-I93 HydrophobicContact CD1-CG1 4.2Å; F89-I93 HydrophobicContact CE1-CD1 3.65Å; F89-I93 HydrophobicContact CE1-CG1 3.87Å; F89-I93 HydrophobicContact CE2-CG1 4.5Å; F89-I93 HydrophobicContact CZ-CD1 4.31Å; F89-I93 HydrophobicContact CZ-CG1 4.03Å; F89-I93 WeakPolarHBondContact O-CG1 3.43Å; F89-I93 PolarHBondContact O-N 3.18Å; F89-I122 HydrophobicContact CE1-CG2 4.4Å; F89-I122 HydrophobicContact CZ-CG2 4.43Å; F89-L129 HydrophobicContact CB-CD2 4.21Å
90D92.9Very high87.5Confident46 Ų4652 Ų5225%0.24630%0.298CS..Hα-helixtrans-59.6-41.1172.4-72.4-65.3000111.8S86 A87 D92 I93 E94 R126S86-D90 PolarHBondContact O-N 3Å; A87-D90 PolarHBondContact O-N 3.39Å; D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.15Å; D90-I93 WeakPolarHBondContact O-CB 3.34Å; D90-I93 PolarHBondContact O-N 3.47Å; D90-E94 PolarHBondContact O-N 3.39Å; D90-R126 IonicContact OD1-CZ 3.9Å; D90-R126 IonicContact OD1-NH1 2.65Å; D90-R126 PolarHBondContact OD1-NH1 3.38Å; D90-R126 IonicContact OD1-NH2 2.63Å; D90-R126 PolarHBondContact OD1-NH2 3.45Å; D90-R126 IonicContact OD2-CZ 2.96Å; D90-R126 IonicContact OD2-NH2 3.87Å; D90-R126 PolarHBondContact OD2-NH2 3.44Å
91V92.6Very high87.8Confident73 Ų7355.1 Ų55.144%0.44230%0.303SS..Hα-helixtrans-61.5-37.2173.5179.20000111.8F89 E94 N95F89-V91 VanDerWaalsContact C-N 3.3Å; F89-V91 PolarHBondContact O-N 3.06Å; V91-E94 PolarHBondContact O-N 3.38Å; V91-N95 WeakPolarHBondContact O-CB 3.4Å; V91-N95 PolarHBondContact O-N 2.97Å; V91-N95 PolarHBondContact O-ND2 3.18Å; V91-N95 VanDerWaalsContact O-ND2 3.15Å
92D93.4Very high88.5Confident38 Ų3862.5 Ų62.520%0.20333%0.33CS..Hα-helixtrans-74.1-32.1178.2-68.4-43000113.1L69 K73 S88 F89 D90 N95 F96L69-D92 HydrophobicContact CD2-CB 3.59Å; K73-D92 WeakPolarHBondContact CE-OD2 3.4Å; K73-D92 IonicContact NZ-OD2 3.95Å; K73-D92 PolarHBondContact NZ-OD2 3.25Å; S88-D92 PolarHBondContact O-N 3.02Å; S88-D92 VanDerWaalsContact O-OD2 3.11Å; F89-D92 HydrophobicContact CD2-CB 4.4Å; F89-D92 PolarHBondContact O-N 3.19Å; F89-D92 VanDerWaalsContact O-N 3.09Å; D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.15Å; D92-N95 PolarHBondContact O-N 3.34Å; D92-F96 VanDerWaalsContact O-CB 3.29Å; D92-F96 WeakPolarHBondContact O-CB 3.44Å; D92-F96 PolarHBondContact O-N 3.45Å
93I92.9Very high89.3Confident32 Ų3258.7 Ų58.716%0.16431%0.312CS..Hα-helixtrans-60.4-49.1167.8-64.1167.6000109.5L66 F89 D90 N95 F96 V97L66-I93 HydrophobicContact CD1-CG1 4.03Å; L66-I93 HydrophobicContact CD2-CG1 4.3Å; F89-I93 HydrophobicContact CD1-CD1 3.87Å; F89-I93 HydrophobicContact CD1-CG1 4.2Å; F89-I93 HydrophobicContact CE1-CD1 3.65Å; F89-I93 HydrophobicContact CE1-CG1 3.87Å; F89-I93 HydrophobicContact CE2-CG1 4.5Å; F89-I93 HydrophobicContact CZ-CD1 4.31Å; F89-I93 HydrophobicContact CZ-CG1 4.03Å; F89-I93 WeakPolarHBondContact O-CG1 3.43Å; F89-I93 PolarHBondContact O-N 3.18Å; D90-I93 WeakPolarHBondContact O-CB 3.34Å; D90-I93 PolarHBondContact O-N 3.47Å; I93-N95 VanDerWaalsContact C-N 3.31Å; I93-N95 PolarHBondContact O-N 2.92Å; I93-F96 PolarHBondContact O-N 3.23Å; I93-V97 HydrophobicContact CG2-CG2 4.33Å; I93-V97 WeakPolarHBondContact O-CG2 3.31Å; I93-V97 PolarHBondContact O-N 3.17Å
94E92.9Very high89.7Confident111 Ų11159.2 Ų59.252%0.51932%0.318SS..Hα-helixtrans-60.3-38.6177.9-70.5-178.9-170.200113D90 V91 R98D90-E94 PolarHBondContact O-N 3.39Å; V91-E94 PolarHBondContact O-N 3.38Å; E94-R98 WeakPolarHBondContact O-CB 3.35Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.19Å; E94-R98 VanDerWaalsContact O-N 3.07Å; E94-R98 PolarHBondContact O-NE 2.98Å; E94-R98 IonicContact OE2-NH2 3.81Å; E94-R98 PolarHBondContact OE2-NH2 2.98Å
95N92.6Very high89.5Confident71 Ų7163.7 Ų63.738%0.3834%0.336SS..Hα-helixtrans-68.8-40.2176.9-71.3-30.4000111.4V91 D92 I93 R98 K99V91-N95 WeakPolarHBondContact O-CB 3.4Å; V91-N95 PolarHBondContact O-N 2.97Å; V91-N95 PolarHBondContact O-ND2 3.18Å; V91-N95 VanDerWaalsContact O-ND2 3.15Å; D92-N95 PolarHBondContact O-N 3.34Å; I93-N95 VanDerWaalsContact C-N 3.31Å; I93-N95 PolarHBondContact O-N 2.92Å; N95-R98 PolarHBondContact OD1-NH2 3.32Å; N95-K99 WeakPolarHBondContact O-CB 3.49Å; N95-K99 PolarHBondContact O-N 3.3Å
96F92.9Very high89.3Confident15 Ų1565.7 Ų65.77%0.06635%0.35CS..Hα-helixtrans-64.9-46175.8174.9-93.3000111.8P62 L63 P65 L66 D92 I93 K99 Q100 F107P62-F96 VanDerWaalsContact O-CZ 3.31Å; P62-F96 WeakPolarHBondContact O-CZ 3.37Å; L63-F96 HydrophobicContact CD2-CE1 3.71Å; L63-F96 HydrophobicContact CD2-CZ 4.04Å; P65-F96 HydrophobicContact CB-CE2 4.37Å; L66-F96 HydrophobicContact CB-CD1 4.35Å; L66-F96 HydrophobicContact CB-CD2 4.14Å; L66-F96 HydrophobicContact CB-CE1 4.49Å; L66-F96 HydrophobicContact CB-CE2 4.29Å; L66-F96 HydrophobicContact CB-CG 4.18Å; L66-F96 HydrophobicContact CB-CZ 4.47Å; L66-F96 HydrophobicContact CD1-CB 4.19Å; L66-F96 HydrophobicContact CD1-CG 4.37Å; L66-F96 HydrophobicContact CD2-CD1 3.97Å; L66-F96 HydrophobicContact CD2-CE1 4.34Å; L66-F96 HydrophobicContact CD2-CG 4.39Å; D92-F96 VanDerWaalsContact O-CB 3.29Å; D92-F96 WeakPolarHBondContact O-CB 3.44Å; D92-F96 PolarHBondContact O-N 3.45Å; I93-F96 PolarHBondContact O-N 3.23Å; F96-K99 PolarHBondContact O-N 2.89Å; F96-Q100 HydrophobicContact CD1-CG 4.27Å; F96-Q100 HydrophobicContact CE1-CG 3.79Å; F96-Q100 HydrophobicContact CE2-CG 4.08Å; F96-Q100 HydrophobicContact CZ-CG 3.67Å; F96-Q100 WeakPolarHBondContact O-CG 3.26Å; F96-Q100 PolarHBondContact O-N 3.36Å; F96-F107 HydrophobicContact CE1-CD1 4.21Å; F96-F107 HydrophobicContact CE1-CE1 4.21Å
97V91.5Very high89Confident35 Ų3568 Ų6821%0.21236%0.359CS..Hα-helixtrans-58.4-51.2175.8170.40000110.5I93 K99 Q100 E101 F107I93-V97 HydrophobicContact CG2-CG2 4.33Å; I93-V97 WeakPolarHBondContact O-CG2 3.31Å; I93-V97 PolarHBondContact O-N 3.17Å; V97-K99 VanDerWaalsContact C-N 3.26Å; V97-K99 PolarHBondContact O-N 3.11Å; V97-Q100 PolarHBondContact O-N 2.95Å; V97-Q100 VanDerWaalsContact O-N 3.11Å; V97-E101 HydrophobicContact CG1-CG 4.36Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.11Å; V97-F107 HydrophobicContact CG1-CZ 4.16Å; V97-F107 HydrophobicContact CG2-CE1 4.19Å; V97-F107 HydrophobicContact CG2-CZ 4.48Å
98R90.8Very high88.8Confident135 Ų13568.9 Ų68.951%0.50935%0.351SS..Hα-helixtrans-60.4-31.6176.9-77.6-177.5-82.9170.3-15113.7E94 N95 K102E94-R98 WeakPolarHBondContact O-CB 3.35Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 3.19Å; E94-R98 VanDerWaalsContact O-N 3.07Å; E94-R98 PolarHBondContact O-NE 2.98Å; E94-R98 IonicContact OE2-NH2 3.81Å; E94-R98 PolarHBondContact OE2-NH2 2.98Å; N95-R98 PolarHBondContact OD1-NH2 3.32Å; R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 PolarHBondContact O-N 3Å
99K90.1Very high88.4Confident62 Ų6269.7 Ų69.727%0.2736%0.357SS..Hα-helixtrans-69.4-46173.9-174.3176.7178.3-1790111.1I9 N95 F96 V97 K102 E103I9-K99 HydrophobicContact CG2-CD 4.08Å; I9-K99 PolarHBondContact O-NZ 3.29Å; N95-K99 WeakPolarHBondContact O-CB 3.49Å; N95-K99 PolarHBondContact O-N 3.3Å; F96-K99 PolarHBondContact O-N 2.89Å; V97-K99 VanDerWaalsContact C-N 3.26Å; V97-K99 PolarHBondContact O-N 3.11Å; K99-K102 PolarHBondContact O-N 2.89Å; K99-E103 WeakPolarHBondContact CE-OE1 3.31Å; K99-E103 WeakPolarHBondContact CG-OE1 3.27Å; K99-E103 IonicContact NZ-OE1 3.87Å; K99-E103 WeakPolarHBondContact O-CG 3.32Å; K99-E103 PolarHBondContact O-N 3.38Å
100Q88.4Confident88Confident14 Ų1479.4 Ų79.47%0.06540%0.402CS..Hα-helixtrans-65.2-42.4179.6-69.9-75.874.900112.4F96 V97 K102 E103 G104 K105 F107F96-Q100 HydrophobicContact CD1-CG 4.27Å; F96-Q100 HydrophobicContact CE1-CG 3.79Å; F96-Q100 HydrophobicContact CE2-CG 4.08Å; F96-Q100 HydrophobicContact CZ-CG 3.67Å; F96-Q100 WeakPolarHBondContact O-CG 3.26Å; F96-Q100 PolarHBondContact O-N 3.36Å; V97-Q100 PolarHBondContact O-N 2.95Å; V97-Q100 VanDerWaalsContact O-N 3.11Å; Q100-K102 VanDerWaalsContact C-N 3.34Å; Q100-K102 PolarHBondContact O-N 3.48Å; Q100-E103 CarbonylContact O-C 3.59Å; Q100-E103 PolarHBondContact O-N 3.02Å; Q100-G104 PolarHBondContact O-N 3.42Å; Q100-K105 PolarHBondContact O-N 3.45Å; Q100-F107 HydrophobicContact CB-CD1 4.34Å; Q100-F107 HydrophobicContact CB-CE1 3.59Å; Q100-F107 HydrophobicContact CB-CZ 3.73Å; Q100-F107 HydrophobicContact CG-CD1 4.36Å; Q100-F107 HydrophobicContact CG-CE1 3.9Å
101E87.1Confident87.8Confident105 Ų10580.5 Ų80.549%0.49141%0.408SS..Hα-helixtrans-58-44.7173.3-71.4174.2152.200111.7V97 E103 G104V97-E101 HydrophobicContact CG1-CG 4.36Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.11Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 3.49Å; E101-G104 PolarHBondContact O-N 3.05Å
102K88.5Confident87.7Confident192 Ų19281 Ų8184%0.83541%0.412SS*.Hα-helixtrans-67-33.1177.7-175.3-175.6175-168.50113.1R98 K99 Q100R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 PolarHBondContact O-N 3Å; K99-K102 PolarHBondContact O-N 2.89Å; Q100-K102 VanDerWaalsContact C-N 3.34Å; Q100-K102 PolarHBondContact O-N 3.48Å
103E86.3Confident87.7Confident82 Ų8286.7 Ų86.738%0.38344%0.438SS..Hα-helixtrans-86.1-7.4178.9-70.5-178.8-163.700113.3K99 Q100 E101 K105K99-E103 WeakPolarHBondContact CE-OE1 3.31Å; K99-E103 WeakPolarHBondContact CG-OE1 3.27Å; K99-E103 IonicContact NZ-OE1 3.87Å; K99-E103 WeakPolarHBondContact O-CG 3.32Å; K99-E103 PolarHBondContact O-N 3.38Å; Q100-E103 CarbonylContact O-C 3.59Å; Q100-E103 PolarHBondContact O-N 3.02Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 3.49Å; E103-K105 HydrophobicContact CB-CD 4.05Å; E103-K105 HydrophobicContact CB-CG 4.11Å; E103-K105 PolarHBondContact O-N 3.07Å; E103-K105 WeakPolarHBondContact OE2-CD 3.43Å; E103-K105 VanDerWaalsContact OE2-CE 3.26Å; E103-K105 WeakPolarHBondContact OE2-CE 3.33Å; E103-K105 IonicContact OE2-NZ 2.71Å; E103-K105 PolarHBondContact OE2-NZ 2.82Å
104G80.8Confident87.7Confident70 Ų7086 Ų8672%0.72244%0.435SS*.THydrogen-bonded Turntrans64.121.7-179.400000113.9Q100 E101Q100-G104 PolarHBondContact O-N 3.42Å; E101-G104 PolarHBondContact O-N 3.05Å
105K78.8Confident87.7Confident109 Ų10981.6 Ų81.647%0.47442%0.415SS..  trans-88.8141.9-175.8-72.6174.5-179.4168.80111.1Q100 E103Q100-K105 PolarHBondContact O-N 3.45Å; E103-K105 HydrophobicContact CB-CD 4.05Å; E103-K105 HydrophobicContact CB-CG 4.11Å; E103-K105 PolarHBondContact O-N 3.07Å; E103-K105 WeakPolarHBondContact OE2-CD 3.43Å; E103-K105 VanDerWaalsContact OE2-CE 3.26Å; E103-K105 WeakPolarHBondContact OE2-CE 3.33Å; E103-K105 IonicContact OE2-NZ 2.71Å; E103-K105 PolarHBondContact OE2-NZ 2.82Å
106P81.9Confident87.8Confident91 Ų9182.4 Ų82.459%0.59142%0.42SS*.  trans-65.9146.9173.330.2-35.4000110.9P62 F108P62-P106 VanDerWaalsContact CB-O 3.31Å; P62-P106 WeakPolarHBondContact CB-O 3.24Å; P62-P106 WeakPolarHBondContact CG-O 3.45Å; P106-F108 VanDerWaalsContact C-N 3.29Å
107F80.4Confident87.8Confident52 Ų5286.2 Ų86.223%0.22844%0.44CS..SBendtrans-75.5-21174-72-78.4000113.3L63 F96 V97 Q100L63-F107 HydrophobicContact CD2-CD1 4.44Å; F96-F107 HydrophobicContact CE1-CD1 4.21Å; F96-F107 HydrophobicContact CE1-CE1 4.21Å; V97-F107 HydrophobicContact CG1-CZ 4.16Å; V97-F107 HydrophobicContact CG2-CE1 4.19Å; V97-F107 HydrophobicContact CG2-CZ 4.48Å; Q100-F107 HydrophobicContact CB-CD1 4.34Å; Q100-F107 HydrophobicContact CB-CE1 3.59Å; Q100-F107 HydrophobicContact CB-CZ 3.73Å; Q100-F107 HydrophobicContact CG-CD1 4.36Å; Q100-F107 HydrophobicContact CG-CE1 3.9Å
108F85.3Confident88Confident82 Ų8284.7 Ų84.736%0.3643%0.431SS..SBendtrans-122.5157.9-173-63.3-58.2000110.3P106 D115 V119 M399P106-F108 VanDerWaalsContact C-N 3.29Å; F108-D115 VanDerWaalsContact CA-OD1 3.28Å; F108-D115 WeakPolarHBondContact CA-OD1 3.48Å; F108-D115 WeakPolarHBondContact CB-OD1 3.29Å; F108-D115 HydrophobicContact CD1-CB 3.81Å; F108-D115 HydrophobicContact CE1-CB 4.43Å; F108-V119 HydrophobicContact CE1-CG2 4.14Å; F108-M399 HydrophobicContact CE2-CE 3.6Å; F108-M399 HydrophobicContact CE2-SD 4.38Å; F108-M399 HydrophobicContact CZ-CE 3.88Å
109C84.1Confident88.2Confident49 Ų4980.6 Ų80.633%0.33142%0.421SS..  trans-97-173.5174.864.40000111.1H61 D111 D115H61-C109 VanDerWaalsContact CD2-SG 3.58Å; C109-D111 PolarHBondContact SG-O 3.04Å; C109-D111 VanDerWaalsContact SG-O 3.34Å; C109-D115 PolarHBondContact N-OD1 3.45Å; C109-D115 PolarHBondContact SG-OD1 2.9Å
110E83.5Confident88.4Confident204 Ų20483.3 Ų83.395%0.95343%0.432SS*.SBendtrans-79.8-6.5175.5-63.6-178115.100112.7P112E110-P112 WeakPolarHBondContact O-CD 3.43Å
111D89.6Confident88.8Confident68 Ų6884.1 Ų84.136%0.36444%0.441SS..  trans-106.1104.6177.4174.737.1000112.2C109 E113 T114 D115C109-D111 PolarHBondContact SG-O 3.04Å; C109-D111 VanDerWaalsContact SG-O 3.34Å; D111-E113 PolarHBondContact O-N 2.97Å; D111-E113 PolarHBondContact OD1-N 2.76Å; D111-E113 VanDerWaalsContact OD1-N 3.11Å; D111-T114 PolarHBondContact O-N 3.39Å; D111-T114 WeakPolarHBondContact OD2-CB 3.37Å; D111-T114 PolarHBondContact OD2-N 2.99Å; D111-T114 PolarHBondContact OD2-OG1 2.88Å; D111-D115 PolarHBondContact O-N 3.22Å; D111-D115 VanDerWaalsContact O-N 3.13Å
112P90.7Very high89.2Confident83 Ų8380 Ų8054%0.53942%0.423SS..Hα-helixtrans-67.8-18.818029.3-35.6000113.2E110 N116E110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-N116 WeakPolarHBondContact O-CB 3.4Å; P112-N116 PolarHBondContact O-N 3.28Å; P112-N116 VanDerWaalsContact O-N 3.1Å; P112-N116 PolarHBondContact O-ND2 3.1Å
113E92.4Very high89.4Confident158 Ų15875.7 Ų75.774%0.73841%0.406SS*.Hα-helixtrans-71.1-47.8176.8-168.9166.8142.700110.8D111 N116 L117D111-E113 PolarHBondContact O-N 2.97Å; D111-E113 PolarHBondContact OD1-N 2.76Å; D111-E113 VanDerWaalsContact OD1-N 3.11Å; E113-N116 PolarHBondContact O-N 2.85Å; E113-L117 WeakPolarHBondContact O-CB 3.43Å; E113-L117 PolarHBondContact O-N 2.96Å
114T92.5Very high89.9Confident17 Ų1775.4 Ų75.410%0.10441%0.409CS..Hα-helixtrans-61.2-43.2172.3-59.60000111.8D111 N116 L117 M118D111-T114 PolarHBondContact O-N 3.39Å; D111-T114 WeakPolarHBondContact OD2-CB 3.37Å; D111-T114 PolarHBondContact OD2-N 2.99Å; D111-T114 PolarHBondContact OD2-OG1 2.88Å; T114-N116 VanDerWaalsContact C-N 3.33Å; T114-N116 PolarHBondContact O-N 2.97Å; T114-L117 PolarHBondContact O-N 3.14Å; T114-M118 HydrophobicContact CG2-CG 4.14Å; T114-M118 WeakPolarHBondContact O-CB 3.29Å; T114-M118 VanDerWaalsContact O-CG 3.24Å; T114-M118 WeakPolarHBondContact O-CG 3.48Å; T114-M118 PolarHBondContact O-N 3.37Å
115D93.4Very high90.6Very high19 Ų1973.3 Ų73.310%0.10238%0.381CS..Hα-helixtrans-54.9-49175.7-67.6-35.3000111.4H61 F108 C109 D111 L117 M118 V119H61-D115 IonicContact CD2-OD1 3.31Å; H61-D115 IonicContact CE1-OD1 2.93Å; H61-D115 IonicContact NE2-OD1 2.69Å; H61-D115 PolarHBondContact NE2-OD1 2.91Å; F108-D115 VanDerWaalsContact CA-OD1 3.28Å; F108-D115 WeakPolarHBondContact CA-OD1 3.48Å; F108-D115 WeakPolarHBondContact CB-OD1 3.29Å; F108-D115 HydrophobicContact CD1-CB 3.81Å; F108-D115 HydrophobicContact CE1-CB 4.43Å; C109-D115 PolarHBondContact N-OD1 3.45Å; C109-D115 PolarHBondContact SG-OD1 2.9Å; D111-D115 PolarHBondContact O-N 3.22Å; D111-D115 VanDerWaalsContact O-N 3.13Å; D115-L117 PolarHBondContact O-N 3.21Å; D115-M118 PolarHBondContact O-N 2.99Å; D115-V119 WeakPolarHBondContact O-CG2 3.48Å; D115-V119 PolarHBondContact O-N 2.84Å
116N94.4Very high91.3Very high89 Ų8971 Ų7148%0.47637%0.369SS..Hα-helixtrans-64.2-39.7179.1-88.7-85.6000112.2P112 E113 T114 K120P112-N116 WeakPolarHBondContact O-CB 3.4Å; P112-N116 PolarHBondContact O-N 3.28Å; P112-N116 VanDerWaalsContact O-N 3.1Å; P112-N116 PolarHBondContact O-ND2 3.1Å; E113-N116 PolarHBondContact O-N 2.85Å; T114-N116 VanDerWaalsContact C-N 3.33Å; T114-N116 PolarHBondContact O-N 2.97Å; N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 WeakPolarHBondContact O-CD 3.48Å; N116-K120 WeakPolarHBondContact O-CG 3.48Å; N116-K120 PolarHBondContact O-N 3.38Å; N116-K120 VanDerWaalsContact O-N 3.07Å
117L94.4Very high91.8Very high94 Ų9471.4 Ų71.449%0.49237%0.366SS..Hα-helixtrans-62.5-45.7175.717861.5000111.1I58 E113 T114 D115 K120 A121I58-L117 HydrophobicContact CD1-CD2 4.2Å; E113-L117 WeakPolarHBondContact O-CB 3.43Å; E113-L117 PolarHBondContact O-N 2.96Å; T114-L117 PolarHBondContact O-N 3.14Å; D115-L117 PolarHBondContact O-N 3.21Å; L117-K120 PolarHBondContact O-N 2.83Å; L117-A121 WeakPolarHBondContact O-CB 3.5Å; L117-A121 PolarHBondContact O-N 3.01Å
118M94.9Very high92.4Very high4 Ų474 Ų742%0.0238%0.378CS..Hα-helixtrans-65.1-44.3-179.2-70.6-66.6-68.500112.1I58 H61 L63 F64 L67 T114 D115 A121 I122I58-M118 HydrophobicContact CG2-SD 3.98Å; H61-M118 HydrophobicContact CB-CE 4.1Å; H61-M118 HydrophobicContact CB-CG 4.29Å; L63-M118 HydrophobicContact CB-CE 4.19Å; L63-M118 HydrophobicContact CD1-CB 4.39Å; F64-M118 HydrophobicContact CB-CE 4.22Å; L67-M118 HydrophobicContact CB-CE 4.1Å; L67-M118 HydrophobicContact CD2-CE 3.64Å; L67-M118 HydrophobicContact CD2-SD 3.82Å; T114-M118 HydrophobicContact CG2-CG 4.14Å; T114-M118 WeakPolarHBondContact O-CB 3.29Å; T114-M118 VanDerWaalsContact O-CG 3.24Å; T114-M118 WeakPolarHBondContact O-CG 3.48Å; T114-M118 PolarHBondContact O-N 3.37Å; D115-M118 PolarHBondContact O-N 2.99Å; M118-A121 PolarHBondContact O-N 3.42Å; M118-I122 WeakPolarHBondContact O-CG1 3.33Å; M118-I122 PolarHBondContact O-N 3.28Å
119V94.3Very high92.9Very high49 Ų4970 Ų7030%0.29736%0.361SS..Hα-helixtrans-62.1-44.8175.1172.40000111.2L63 F108 D115 I122 Q123L63-V119 HydrophobicContact CD1-CG2 4.09Å; F108-V119 HydrophobicContact CE1-CG2 4.14Å; D115-V119 WeakPolarHBondContact O-CG2 3.48Å; D115-V119 PolarHBondContact O-N 2.84Å; V119-I122 PolarHBondContact O-N 3.44Å; V119-Q123 WeakPolarHBondContact O-CG 3.46Å; V119-Q123 PolarHBondContact O-N 2.96Å
120K95.2Very high93.3Very high118 Ų11870.8 Ų70.851%0.51336%0.361SS..Hα-helixtrans-63.3-41.8177-73.3168.5-173.2170.30112.2N116 L117 I122 Q123 V124N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 WeakPolarHBondContact O-CD 3.48Å; N116-K120 WeakPolarHBondContact O-CG 3.48Å; N116-K120 PolarHBondContact O-N 3.38Å; N116-K120 VanDerWaalsContact O-N 3.07Å; L117-K120 PolarHBondContact O-N 2.83Å; K120-I122 PolarHBondContact O-N 2.83Å; K120-Q123 PolarHBondContact O-N 3.46Å; K120-V124 WeakPolarHBondContact O-CB 2.86Å; K120-V124 WeakPolarHBondContact O-CG2 3.23Å; K120-V124 PolarHBondContact O-N 3.49Å
121A96.1Very high93.7Very high31 Ų3165.4 Ų65.426%0.25634%0.336SS..Hα-helixtrans-60.7-45.3177.400000111.7L67 L117 M118 V124 L125L67-A121 HydrophobicContact CD1-CB 4.06Å; L117-A121 WeakPolarHBondContact O-CB 3.5Å; L117-A121 PolarHBondContact O-N 3.01Å; M118-A121 PolarHBondContact O-N 3.42Å; A121-V124 PolarHBondContact O-N 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.35Å; A121-L125 WeakPolarHBondContact O-CG 3.46Å; A121-L125 PolarHBondContact O-N 3.34Å
122I95Very high93.9Very high20 Ų2064.6 Ų64.610%0.10333%0.331CS..Hα-helixtrans-62.8-44.1176-67.8168.2000111.1L63 L66 L67 L70 F89 M118 V119 K120 R126L63-I122 HydrophobicContact CB-CD1 4.08Å; L63-I122 HydrophobicContact CD1-CD1 4.28Å; L66-I122 HydrophobicContact CD2-CD1 4.3Å; L67-I122 HydrophobicContact CB-CG1 4.23Å; L67-I122 HydrophobicContact CD1-CG1 4Å; L70-I122 HydrophobicContact CD2-CB 4.49Å; L70-I122 HydrophobicContact CD2-CG2 4.12Å; L70-I122 WeakPolarHBondContact CD2-O 3.45Å; F89-I122 HydrophobicContact CE1-CG2 4.4Å; F89-I122 HydrophobicContact CZ-CG2 4.43Å; M118-I122 WeakPolarHBondContact O-CG1 3.33Å; M118-I122 PolarHBondContact O-N 3.28Å; V119-I122 PolarHBondContact O-N 3.44Å; K120-I122 PolarHBondContact O-N 2.83Å; I122-R126 VanDerWaalsContact O-CB 3.29Å; I122-R126 WeakPolarHBondContact O-CB 3.48Å; I122-R126 PolarHBondContact O-N 3.12Å
123Q94.5Very high93.9Very high101 Ų10163.2 Ų63.247%0.47232%0.318SS..Hα-helixtrans-60.5-47.7176.9-74.2173.7-6.700112.3V119 K120 R126 I127V119-Q123 WeakPolarHBondContact O-CG 3.46Å; V119-Q123 PolarHBondContact O-N 2.96Å; K120-Q123 PolarHBondContact O-N 3.46Å; Q123-R126 PolarHBondContact O-N 2.81Å; Q123-I127 WeakPolarHBondContact O-CG1 3.44Å; Q123-I127 PolarHBondContact O-N 3.45Å
124V95.7Very high93.8Very high75 Ų7561.2 Ų61.246%0.45531%0.307SS..Hα-helixtrans-64.5-47.2-179.5169.10000111.2K120 A121 R126 I127 H128K120-V124 WeakPolarHBondContact O-CB 2.86Å; K120-V124 WeakPolarHBondContact O-CG2 3.23Å; K120-V124 PolarHBondContact O-N 3.49Å; A121-V124 PolarHBondContact O-N 3.25Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.24Å; V124-I127 WeakPolarHBondContact O-CB 3.35Å; V124-I127 PolarHBondContact O-N 2.63Å; V124-I127 VanDerWaalsContact O-N 3.15Å; V124-H128 PolarHBondContact O-CD2 3.11Å; V124-H128 PolarHBondContact O-N 3.44Å
125L95.1Very high93.8Very high26 Ų2665 Ų6514%0.13633%0.329CS..Hα-helixtrans-65.2-32.9178.2-74.4165.7000112.7L67 L70 F71 A121 I127 H128 L129L67-L125 HydrophobicContact CD1-CD1 3.49Å; L67-L125 VanDerWaalsContact CD1-CD1 3.49Å; L70-L125 HydrophobicContact CD2-CB 3.46Å; L70-L125 VanDerWaalsContact CD2-CB 3.46Å; L70-L125 HydrophobicContact CD2-CD1 4.49Å; L70-L125 HydrophobicContact CG-CB 3.77Å; F71-L125 HydrophobicContact CD1-CD1 4.2Å; F71-L125 HydrophobicContact CD1-CD2 4.15Å; F71-L125 HydrophobicContact CD2-CD1 4Å; F71-L125 HydrophobicContact CE1-CD1 3.86Å; F71-L125 HydrophobicContact CE1-CD2 3.8Å; F71-L125 HydrophobicContact CE1-CG 4.48Å; F71-L125 HydrophobicContact CE2-CD1 3.64Å; F71-L125 HydrophobicContact CG-CD1 4.27Å; F71-L125 HydrophobicContact CZ-CD1 3.57Å; F71-L125 HydrophobicContact CZ-CD2 4.27Å; A121-L125 WeakPolarHBondContact O-CB 3.35Å; A121-L125 WeakPolarHBondContact O-CG 3.46Å; A121-L125 PolarHBondContact O-N 3.34Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3Å; L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 2.83Å; L125-L129 PolarHBondContact O-N 3.2Å
126R93.2Very high93.6Very high60 Ų6065.8 Ų65.823%0.22633%0.334CS..Hα-helixtrans-63.4-38.4173.4-177.8179172.71498.3111.7L70 D90 I122 Q123 V124 L129 L130L70-R126 HydrophobicContact CD2-CB 4.48Å; D90-R126 IonicContact OD1-CZ 3.9Å; D90-R126 IonicContact OD1-NH1 2.65Å; D90-R126 PolarHBondContact OD1-NH1 3.38Å; D90-R126 IonicContact OD1-NH2 2.63Å; D90-R126 PolarHBondContact OD1-NH2 3.45Å; D90-R126 IonicContact OD2-CZ 2.96Å; D90-R126 IonicContact OD2-NH2 3.87Å; D90-R126 PolarHBondContact OD2-NH2 3.44Å; I122-R126 VanDerWaalsContact O-CB 3.29Å; I122-R126 WeakPolarHBondContact O-CB 3.48Å; I122-R126 PolarHBondContact O-N 3.12Å; Q123-R126 PolarHBondContact O-N 2.81Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.24Å; R126-L129 PolarHBondContact O-N 3.01Å; R126-L130 PolarHBondContact O-N 3.3Å; R126-L130 VanDerWaalsContact O-N 3.15Å
127I93.7Very high93.4Very high101 Ų10166.9 Ų66.952%0.51834%0.336SS..Hα-helixtrans-65.1-42.8172.6-63.5164000110.3Q123 V124 L125 L129 L130 E131Q123-I127 WeakPolarHBondContact O-CG1 3.44Å; Q123-I127 PolarHBondContact O-N 3.45Å; V124-I127 WeakPolarHBondContact O-CB 3.35Å; V124-I127 PolarHBondContact O-N 2.63Å; V124-I127 VanDerWaalsContact O-N 3.15Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 3Å; I127-L129 PolarHBondContact O-N 3.26Å; I127-L130 WeakPolarHBondContact O-CB 3.5Å; I127-L130 PolarHBondContact O-N 3.45Å; I127-E131 PolarHBondContact O-N 3.15Å
128H93.5Very high93.2Very high105 Ų10568.4 Ų68.449%0.48634%0.344SS..Hα-helixtrans-60.3-42.1175.2-76.7-71.3000112.8V124 L125 L130 E131 L132V124-H128 PolarHBondContact O-CD2 3.11Å; V124-H128 PolarHBondContact O-N 3.44Å; L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 2.83Å; H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 3.25Å; H128-E131 PolarHBondContact O-N 3.48Å; H128-L132 WeakPolarHBondContact O-CG 3.49Å; H128-L132 PolarHBondContact O-N 3.38Å
129L93.9Very high93Very high0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-60.8-42.3176.1-174.661.3000111.9L70 K73 T84 F89 L125 R126 I127 L132 E133L70-L129 HydrophobicContact CD1-CD2 3.94Å; K73-L129 HydrophobicContact CB-CD1 4.24Å; K73-L129 HydrophobicContact CB-CD2 4.13Å; K73-L129 HydrophobicContact CD-CD2 4.31Å; T84-L129 HydrophobicContact CG2-CD1 4.27Å; F89-L129 HydrophobicContact CB-CD2 4.21Å; L125-L129 PolarHBondContact O-N 3.2Å; R126-L129 PolarHBondContact O-N 3.01Å; I127-L129 PolarHBondContact O-N 3.26Å; L129-L132 PolarHBondContact O-N 2.92Å; L129-E133 WeakPolarHBondContact O-CB 3.4Å; L129-E133 PolarHBondContact O-N 3.46Å
130L92.5Very high92.9Very high64 Ų6472 Ų7234%0.33536%0.364SS..Hα-helixtrans-63.6-38.7174.7-77.9164.6000113.1R126 I127 H128 K134R126-L130 PolarHBondContact O-N 3.3Å; R126-L130 VanDerWaalsContact O-N 3.15Å; I127-L130 WeakPolarHBondContact O-CB 3.5Å; I127-L130 PolarHBondContact O-N 3.45Å; H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 3.25Å; L130-K134 VanDerWaalsContact O-CG 3.32Å; L130-K134 WeakPolarHBondContact O-CG 3.43Å; L130-K134 PolarHBondContact O-N 3.26Å
131E93.3Very high92.7Very high92 Ų9270.4 Ų70.443%0.4336%0.36SS..Hα-helixtrans-71.4-36.9175.8-67.3-55.113600112.1I127 H128 K134 V135I127-E131 PolarHBondContact O-N 3.15Å; H128-E131 PolarHBondContact O-N 3.48Å; E131-K134 PolarHBondContact O-N 3.02Å; E131-K134 IonicContact OE1-NZ 2.7Å; E131-K134 PolarHBondContact OE1-NZ 2.97Å; E131-K134 IonicContact OE2-NZ 3.55Å; E131-V135 WeakPolarHBondContact O-CG2 3.36Å; E131-V135 PolarHBondContact O-N 3.34Å
132L92.3Very high92.6Very high50 Ų5075.4 Ų75.426%0.26238%0.377SS..Hα-helixtrans-62.9-42.1173-71.5169.7000111.7C74 S77 T78 H128 L129 K134 V135 N136C74-L132 HydrophobicContact CB-CD1 4.41Å; S77-L132 WeakPolarHBondContact OG-CB 3.35Å; T78-L132 HydrophobicContact CG2-CD1 3.81Å; T78-L132 HydrophobicContact CG2-CD2 3.7Å; T78-L132 HydrophobicContact CG2-CG 4.43Å; H128-L132 WeakPolarHBondContact O-CG 3.49Å; H128-L132 PolarHBondContact O-N 3.38Å; L129-L132 PolarHBondContact O-N 2.92Å; L132-K134 PolarHBondContact O-N 3.09Å; L132-V135 PolarHBondContact O-N 2.88Å; L132-N136 WeakPolarHBondContact O-CB 3.39Å; L132-N136 PolarHBondContact O-N 3.24Å
133E90.9Very high92.5Very high55 Ų5577.2 Ų77.226%0.25739%0.391SS..Hα-helixtrans-58.8-44.6174.6-173.6172.1176.500111.7T85 S86 L129 V135 N136 E137T85-E133 WeakPolarHBondContact CA-OE2 3.33Å; T85-E133 WeakPolarHBondContact CB-OE1 3.38Å; T85-E133 WeakPolarHBondContact CG2-OE1 3.49Å; S86-E133 PolarHBondContact N-OE2 2.9Å; L129-E133 WeakPolarHBondContact O-CB 3.4Å; L129-E133 PolarHBondContact O-N 3.46Å; E133-V135 PolarHBondContact O-N 3.22Å; E133-N136 PolarHBondContact O-N 2.89Å; E133-E137 PolarHBondContact O-N 3.41Å
134K90.5Very high92.5Very high115 Ų11576 Ų7650%0.539%0.393SS..Hα-helixtrans-62.1-40174.9-68.4167.3-165.7172.70112.9L130 E131 L132 L138L130-K134 VanDerWaalsContact O-CG 3.32Å; L130-K134 WeakPolarHBondContact O-CG 3.43Å; L130-K134 PolarHBondContact O-N 3.26Å; E131-K134 PolarHBondContact O-N 3.02Å; E131-K134 IonicContact OE1-NZ 2.7Å; E131-K134 PolarHBondContact OE1-NZ 2.97Å; E131-K134 IonicContact OE2-NZ 3.55Å; L132-K134 PolarHBondContact O-N 3.09Å; K134-L138 WeakPolarHBondContact O-CB 3.39Å; K134-L138 PolarHBondContact O-N 3.42Å
135V92.3Very high92.4Very high96 Ų9679.6 Ų79.658%0.58240%0.399SS*.Hα-helixtrans-66.7-40.4176.8170.80000110.8E131 L132 E133 L138 C139E131-V135 WeakPolarHBondContact O-CG2 3.36Å; E131-V135 PolarHBondContact O-N 3.34Å; L132-V135 PolarHBondContact O-N 2.88Å; E133-V135 PolarHBondContact O-N 3.22Å; V135-L138 PolarHBondContact O-N 3.39Å; V135-C139 WeakPolarHBondContact O-CB 3.41Å; V135-C139 PolarHBondContact O-N 2.99Å
136N90Very high92.3Very high37 Ų3784.5 Ų84.520%0.19842%0.416CS..Hα-helixtrans-62.6-49.8176.1-165.77.4000111.2L132 E133 L138 C139 K140L132-N136 WeakPolarHBondContact O-CB 3.39Å; L132-N136 PolarHBondContact O-N 3.24Å; E133-N136 PolarHBondContact O-N 2.89Å; N136-L138 VanDerWaalsContact C-N 3.34Å; N136-L138 PolarHBondContact O-N 3.04Å; N136-C139 WeakPolarHBondContact O-CA 3.49Å; N136-C139 WeakPolarHBondContact O-CB 3.42Å; N136-C139 PolarHBondContact O-N 3.07Å; N136-K140 WeakPolarHBondContact O-CG 3.29Å; N136-K140 PolarHBondContact O-N 3.37Å; N136-K140 VanDerWaalsContact OD1-CE 3.27Å; N136-K140 WeakPolarHBondContact OD1-CE 3.37Å
137E89.7Confident92.3Very high112 Ų11285.6 Ų85.652%0.52343%0.426SS..Hα-helixtrans-59-41176.3-77.4-62.2108.600112.8E133 C139 K140 D141E133-E137 PolarHBondContact O-N 3.41Å; E137-C139 VanDerWaalsContact C-N 3.32Å; E137-C139 PolarHBondContact O-N 3.24Å; E137-K140 PolarHBondContact O-N 2.98Å; E137-D141 PolarHBondContact O-N 3Å
138L91Very high92.3Very high126 Ų12683.1 Ų83.166%0.6642%0.421SS*.Hα-helixtrans-64.3-37.2174.7-174.5148.2000112.1K134 V135 N136 F142K134-L138 WeakPolarHBondContact O-CB 3.39Å; K134-L138 PolarHBondContact O-N 3.42Å; V135-L138 PolarHBondContact O-N 3.39Å; N136-L138 VanDerWaalsContact C-N 3.34Å; N136-L138 PolarHBondContact O-N 3.04Å; L138-F142 WeakPolarHBondContact O-CB 2.83Å; L138-F142 PolarHBondContact O-N 3.18Å
139C91.3Very high92.2Very high68 Ų6881.3 Ų81.346%0.45942%0.419SS..Hα-helixtrans-67-41.2175.1-157.40000111.2V135 N136 E137 F142 C143V135-C139 WeakPolarHBondContact O-CB 3.41Å; V135-C139 PolarHBondContact O-N 2.99Å; N136-C139 WeakPolarHBondContact O-CA 3.49Å; N136-C139 WeakPolarHBondContact O-CB 3.42Å; N136-C139 PolarHBondContact O-N 3.07Å; E137-C139 VanDerWaalsContact C-N 3.32Å; E137-C139 PolarHBondContact O-N 3.24Å; C139-F142 PolarHBondContact O-N 3.12Å; C139-C143 WeakPolarHBondContact O-CB 3.37Å; C139-C143 PolarHBondContact O-N 2.9Å; C139-C143 PolarHBondContact O-SG 3.2Å; C139-C143 VanDerWaalsContact O-SG 3.32Å
140K90.3Very high92.1Very high61 Ų6185 Ų8527%0.26544%0.438SS..Hα-helixtrans-65.6-42.1175.1-68.1-177-166.8-170.10112.8E82 N136 E137 S144E82-K140 WeakPolarHBondContact OE1-CE 3.29Å; E82-K140 IonicContact OE1-NZ 3.12Å; E82-K140 PolarHBondContact OE1-NZ 3.49Å; N136-K140 WeakPolarHBondContact O-CG 3.29Å; N136-K140 PolarHBondContact O-N 3.37Å; N136-K140 VanDerWaalsContact OD1-CE 3.27Å; N136-K140 WeakPolarHBondContact OD1-CE 3.37Å; E137-K140 PolarHBondContact O-N 2.98Å; K140-S144 WeakPolarHBondContact O-CB 3.08Å; K140-S144 PolarHBondContact O-N 3.11Å; K140-S144 PolarHBondContact O-OG 2.92Å
141D91.5Very high91.9Very high83 Ų8388.9 Ų88.944%0.44445%0.452SS..Hα-helixtrans-59.9-50.7172.7178.665.5000110.6E137 C143 S144 R145E137-D141 PolarHBondContact O-N 3Å; D141-C143 PolarHBondContact O-N 3.14Å; D141-S144 PolarHBondContact O-N 3.04Å; D141-R145 WeakPolarHBondContact O-CB 3.49Å; D141-R145 VanDerWaalsContact O-CG 3.28Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 2.65Å; D141-R145 VanDerWaalsContact OD1-CD 3.27Å; D141-R145 WeakPolarHBondContact OD1-CD 3.13Å; D141-R145 WeakPolarHBondContact OD2-CD 3.45Å; D141-R145 IonicContact OD2-NH1 3.04Å
142F94.2Very high91.6Very high136 Ų13689.2 Ų89.260%0.59646%0.461SS*.Hα-helixtrans-57.1-49.3179.3178.4-97.2000111.9L138 C139 R145 Y146L138-F142 WeakPolarHBondContact O-CB 2.83Å; L138-F142 PolarHBondContact O-N 3.18Å; C139-F142 PolarHBondContact O-N 3.12Å; F142-R145 PolarHBondContact O-N 3.16Å; F142-Y146 WeakPolarHBondContact O-CB 3.34Å; F142-Y146 PolarHBondContact O-N 3.26Å
143C93.1Very high91.4Very high59 Ų5993 Ų9340%0.39948%0.475SS..Hα-helixtrans-60.5-45.9176.2-75.50000111.9C139 D141 R145 Y146 I147C139-C143 WeakPolarHBondContact O-CB 3.37Å; C139-C143 PolarHBondContact O-N 2.9Å; C139-C143 PolarHBondContact O-SG 3.2Å; C139-C143 VanDerWaalsContact O-SG 3.32Å; D141-C143 PolarHBondContact O-N 3.14Å; C143-R145 PolarHBondContact O-N 3.43Å; C143-Y146 PolarHBondContact O-N 3.45Å; C143-I147 WeakPolarHBondContact O-CB 3.24Å; C143-I147 WeakPolarHBondContact O-CD1 3.44Å; C143-I147 WeakPolarHBondContact O-CG1 3.17Å; C143-I147 PolarHBondContact O-N 3.27Å
144S93.6Very high90.8Very high75 Ų7597.5 Ų97.552%0.52450%0.498SS..Hα-helixtrans-61.5-45.7179.8-63.10000112K140 D141 I147 A148K140-S144 WeakPolarHBondContact O-CB 3.08Å; K140-S144 PolarHBondContact O-N 3.11Å; K140-S144 PolarHBondContact O-OG 2.92Å; D141-S144 PolarHBondContact O-N 3.04Å; S144-I147 PolarHBondContact O-N 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.33Å; S144-A148 PolarHBondContact O-N 3.48Å
145R93.8Very high89.8Confident151 Ų15198.6 Ų98.657%0.5751%0.509SS*.Hα-helixtrans-69.6-36.9178.2-66.8177.573.2172.713.2112.4D141 F142 C143 A148 C149D141-R145 WeakPolarHBondContact O-CB 3.49Å; D141-R145 VanDerWaalsContact O-CG 3.28Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 2.65Å; D141-R145 VanDerWaalsContact OD1-CD 3.27Å; D141-R145 WeakPolarHBondContact OD1-CD 3.13Å; D141-R145 WeakPolarHBondContact OD2-CD 3.45Å; D141-R145 IonicContact OD2-NH1 3.04Å; F142-R145 PolarHBondContact O-N 3.16Å; C143-R145 PolarHBondContact O-N 3.43Å; R145-A148 PolarHBondContact O-N 3.49Å; R145-C149 WeakPolarHBondContact O-CB 3.32Å; R145-C149 PolarHBondContact O-N 3.03Å
146Y94.5Very high88.4Confident128 Ų12897.5 Ų97.550%0.50251%0.506SS..Hα-helixtrans-64.7-47.3174.1-176.9-112.8000111.3F142 C143 A148 C149 L150F142-Y146 WeakPolarHBondContact O-CB 3.34Å; F142-Y146 PolarHBondContact O-N 3.26Å; C143-Y146 PolarHBondContact O-N 3.45Å; Y146-A148 PolarHBondContact O-N 2.94Å; Y146-C149 PolarHBondContact O-N 3.02Å; Y146-L150 HydrophobicContact CD1-CD1 3.87Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.22Å; Y146-L150 HydrophobicContact CE2-CD1 4.4Å; Y146-L150 HydrophobicContact CE2-CG 4.37Å; Y146-L150 WeakPolarHBondContact O-CB 3.46Å; Y146-L150 WeakPolarHBondContact O-CG 3.41Å; Y146-L150 PolarHBondContact O-N 3.46Å
147I93.4Very high86.5Confident83 Ų83103.6 Ų103.643%0.42653%0.533SS..Hα-helixtrans-62.1-41.6175.3-69.2164.8000111.1C143 S144 L150 K151C143-I147 WeakPolarHBondContact O-CB 3.24Å; C143-I147 WeakPolarHBondContact O-CD1 3.44Å; C143-I147 WeakPolarHBondContact O-CG1 3.17Å; C143-I147 PolarHBondContact O-N 3.27Å; S144-I147 PolarHBondContact O-N 3.27Å; I147-L150 PolarHBondContact O-N 3.14Å; I147-K151 HydrophobicContact CG2-CD 4.04Å; I147-K151 HydrophobicContact CG2-CG 4.4Å; I147-K151 WeakPolarHBondContact O-CB 3.32Å; I147-K151 VanDerWaalsContact O-CG 3.32Å; I147-K151 WeakPolarHBondContact O-CG 3.46Å; I147-K151 PolarHBondContact O-N 3.38Å
148A92.1Very high84.6Confident50 Ų50103 Ų10341%0.41354%0.537SS..Hα-helixtrans-61.5-48.6175.900000111.6S144 R145 Y146 L150 K151 T152S144-A148 WeakPolarHBondContact O-CB 3.33Å; S144-A148 PolarHBondContact O-N 3.48Å; R145-A148 PolarHBondContact O-N 3.49Å; Y146-A148 PolarHBondContact O-N 2.94Å; A148-L150 PolarHBondContact O-N 3.37Å; A148-K151 PolarHBondContact O-N 2.97Å; A148-T152 PolarHBondContact O-N 3.36Å; A148-T152 PolarHBondContact O-OG1 3Å
149C92.4Very high82.7Confident66 Ų66104.8 Ų104.845%0.44655%0.547SS..Hα-helixtrans-60.5-41.9176.6-175.40000112.4R145 Y146 T152 K153R145-C149 WeakPolarHBondContact O-CB 3.32Å; R145-C149 PolarHBondContact O-N 3.03Å; Y146-C149 PolarHBondContact O-N 3.02Å; C149-T152 PolarHBondContact O-N 3.47Å; C149-K153 WeakPolarHBondContact O-CB 3.41Å; C149-K153 WeakPolarHBondContact O-CG 3.5Å; C149-K153 PolarHBondContact O-N 2.85Å
150L91.7Very high80.7Confident78 Ų78109.6 Ų109.641%0.40857%0.567SS.*Hα-helixtrans-62.2-46.1173.6-76.9178.7000111.9Y146 I147 A148 T152 K153 M154Y146-L150 HydrophobicContact CD1-CD1 3.87Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.22Å; Y146-L150 HydrophobicContact CE2-CD1 4.4Å; Y146-L150 HydrophobicContact CE2-CG 4.37Å; Y146-L150 WeakPolarHBondContact O-CB 3.46Å; Y146-L150 WeakPolarHBondContact O-CG 3.41Å; Y146-L150 PolarHBondContact O-N 3.46Å; I147-L150 PolarHBondContact O-N 3.14Å; A148-L150 PolarHBondContact O-N 3.37Å; L150-T152 PolarHBondContact O-N 2.75Å; L150-K153 PolarHBondContact O-N 3.48Å; L150-M154 VanDerWaalsContact O-CB 3.23Å; L150-M154 WeakPolarHBondContact O-CB 3.46Å; L150-M154 PolarHBondContact O-N 3.33Å
151K89.2Confident78.6Confident145 Ų145112.7 Ų112.763%0.6360%0.596SS**Hα-helixtrans-58.9-45.2177.1-78.3175177.5177.70111.7I147 A148 M154 N155I147-K151 HydrophobicContact CG2-CD 4.04Å; I147-K151 HydrophobicContact CG2-CG 4.4Å; I147-K151 WeakPolarHBondContact O-CB 3.32Å; I147-K151 VanDerWaalsContact O-CG 3.32Å; I147-K151 WeakPolarHBondContact O-CG 3.46Å; I147-K151 PolarHBondContact O-N 3.38Å; A148-K151 PolarHBondContact O-N 2.97Å; K151-M154 PolarHBondContact O-N 3.11Å; K151-N155 VanDerWaalsContact O-CB 3.25Å; K151-N155 WeakPolarHBondContact O-CB 3.4Å; K151-N155 PolarHBondContact O-N 2.93Å
152T86.9Confident76.2Confident99 Ų99112.2 Ų112.261%0.60761%0.611SS**Hα-helixtrans-60-48175.7-56.10000111.5A148 C149 L150 N155 S156A148-T152 PolarHBondContact O-N 3.36Å; A148-T152 PolarHBondContact O-OG1 3Å; C149-T152 PolarHBondContact O-N 3.47Å; L150-T152 PolarHBondContact O-N 2.75Å; T152-N155 PolarHBondContact O-N 2.69Å; T152-S156 PolarHBondContact O-N 3.46Å; T152-S156 PolarHBondContact O-OG 3.46Å
153K86.2Confident73.4Confident130 Ų130113.8 Ų113.857%0.56562%0.62SS**Hα-helixtrans-66.2-38.3-180-74.8178.5168.8-640113.8C149 L150 S156C149-K153 WeakPolarHBondContact O-CB 3.41Å; C149-K153 WeakPolarHBondContact O-CG 3.5Å; C149-K153 PolarHBondContact O-N 2.85Å; L150-K153 PolarHBondContact O-N 3.48Å; K153-S156 WeakPolarHBondContact CA-OG 3.4Å; K153-S156 PolarHBondContact O-OG 3.21Å
154M78.9Confident71Confident150 Ų150116.6 Ų116.674%0.73964%0.637SS**Hα-helixtrans-72-33.8179-177.1175.8150.300111.7L150 K151 T158L150-M154 VanDerWaalsContact O-CB 3.23Å; L150-M154 WeakPolarHBondContact O-CB 3.46Å; L150-M154 PolarHBondContact O-N 3.33Å; K151-M154 PolarHBondContact O-N 3.11Å; M154-T158 PolarHBondContact O-OG1 3.03Å
155N69.1Low68.3Low138 Ų138115.9 Ų115.974%0.73864%0.642SS**Hα-helixtrans-74.1-31.2175.5-167.1-97.6000112.7K151 T152K151-N155 VanDerWaalsContact O-CB 3.25Å; K151-N155 WeakPolarHBondContact O-CB 3.4Å; K151-N155 PolarHBondContact O-N 2.93Å; T152-N155 PolarHBondContact O-N 2.69Å
156S63Low65.6Low72 Ų72113.9 Ų113.950%0.50365%0.651SS.*Hα-helixtrans-74.5-22.1-175.254.70000115.9T152 K153T152-S156 PolarHBondContact O-N 3.46Å; T152-S156 PolarHBondContact O-OG 3.46Å; K153-S156 WeakPolarHBondContact CA-OG 3.4Å; K153-S156 PolarHBondContact O-OG 3.21Å
157E50.5Low63.1Low166 Ų166113.3 Ų113.378%0.77666%0.663SS**SBendtrans-126.19-168.9-63.3-167106.300115.4
158T49.8Very low60.2Low98 Ų98119.5 Ų119.560%0.60168%0.683SS**SBendtrans-112.1120169.7-440000109.7M154M154-T158 PolarHBondContact O-OG1 3.03Å
159L50.8Low57.7Low165 Ų165122.8 Ų122.886%0.86470%0.703SS**SBendtrans97.8-2.4176-52.8178.8000119.9
160L49.9Very low55.2Low168 Ų168125.1 Ų125.188%0.8872%0.717SS**  trans-105.67.1171.7-68.5-178.6000115.4G162L160-G162 PolarHBondContact O-N 3.19Å
161S45.6Very low52.5Low126 Ų126127.5 Ų127.588%0.88174%0.735SS**  trans-87.776.6165.9-66.60000110.2
162G41Very low50.2Low74 Ų74130 Ų13076%0.76375%0.749SS**  trans-141.832.6-177.200000113.3L160L160-G162 PolarHBondContact O-N 3.19Å
163E36.8Very low47.7Very low169 Ų169129.7 Ų129.779%0.7975%0.751SS**  trans-106.3134.9169.5-144.5-14297.200109G165E163-G165 PolarHBondContact OE1-N 3.46Å
164P42.7Very low45.5Very low117 Ų117132 Ų13276%0.7676%0.763SS**  -133.8133.7100.535.6-26.3000112.9S166P164-S166 PolarHBondContact O-N 2.77Å
165G36.1Very low43.5Very low61 Ų61132 Ų13263%0.62976%0.761SS**  trans-58.9120.1169.900000111.4E163E163-G165 PolarHBondContact OE1-N 3.46Å
166S36.9Very low42Very low108 Ų108131.9 Ų131.976%0.75576%0.759SS**  trans-116.5108.7174.9-173.40000110P164 Y168P164-S166 PolarHBondContact O-N 2.77Å; S166-Y168 PolarHBondContact O-N 3.42Å
167P41.5Very low40.8Very low116 Ų116136.6 Ų136.675%0.75377%0.774SS**  trans-95.460-168.337.6-36.8000113.3
168Y33.1Very low40.1Very low213 Ų213134 Ų13484%0.83577%0.774SS**  trans-153.6108.8174.6-98.1-79000114.4S166S166-Y168 PolarHBondContact O-N 3.42Å
169S39.4Very low39.5Very low120 Ų120133.2 Ų133.284%0.83978%0.777SS**  -179154129.2-82.80000112.4
170P40.4Very low38.8Very low115 Ų115133 Ų13375%0.74778%0.775SS**  trans-109.4154.4-155.839.5-32.7000116.5
171V34.8Very low38.2Very low128 Ų128131.4 Ų131.478%0.77677%0.772SS**  trans20.1118.2142-175.50000118.4
172Q39.9Very low37.7Very low197 Ų197128.3 Ų128.392%0.92176%0.761SS**  trans-143.9131.3133.8-162.21572.300111.5
173S35.1Very low37.4Very low93 Ų93131.1 Ų131.165%0.6576%0.763SS**  trans-97.9174.7-176.6-51.80000111.9
174Q39.7Very low37.4Very low178 Ų178130.5 Ų130.583%0.83276%0.764SS**  trans92.8144.8172.5-60.81775.600116
175Q37.8Very low37.1Very low149 Ų149130 Ų13070%0.69676%0.764SS**  cis-172.4119.6-15.5171.5170-43.200111.4
176I36.9Very low37.3Very low136 Ų136132.2 Ų132.270%0.69777%0.766SS**  trans61146.1141.9-60.3173.8000121.8
177Q38.5Very low37.3Very low171 Ų171136.4 Ų136.480%0.79977%0.774SS**  trans97.990.2153.5-93154.843.100122.4
178S35.1Very low36.7Very low113 Ų113134.2 Ų134.279%0.7977%0.773SS**  41.3126.7113.3-46.30000122.8
179A37Very low36.7Very low80 Ų80131.7 Ų131.766%0.66177%0.772SS**  142.7132.510400000116.1
180I37.4Very low36.5Very low161 Ų161131.9 Ų131.983%0.82677%0.768SS**  trans51150.6143.375.6-176.1000120
181T37.4Very low36.6Very low134 Ų134132.7 Ų132.782%0.82277%0.77SS**  cis-153.4169.110.7-36.10000108.1
182G33.7Very low36.9Very low62 Ų62132.2 Ų132.264%0.63977%0.77SS**  trans-142.5170.2172.100000114.5
183T35.8Very low36.6Very low133 Ų133127.6 Ų127.682%0.81677%0.765SS**  trans-161.4126169.922.30000113.8
184I36Very low36.4Very low155 Ų155129.2 Ų129.280%0.79578%0.776SS**  trans-4.6155.1137.445.8168000119
185S36.3Very low36Very low108 Ų108125.7 Ų125.776%0.75578%0.778SS**  cis-164.4-173.823.3-123.20000112.8
186P40.8Very low35.8Very low106 Ų106126.7 Ų126.769%0.68879%0.787SS**  trans-113.8-179.3-149.943.2-38.1000118.4
187Q36Very low35.7Very low196 Ų196128.7 Ų128.792%0.91679%0.793SS**  trans127.7131.7151.7-70.2174.41000115.6
188G30.8Very low35.3Very low70 Ų70129.6 Ų129.672%0.72280%0.798SS**  trans116.694.5146.100000121.5
189I33.1Very low35Very low160 Ų160127.4 Ų127.482%0.82179%0.793SS**  67.3107.1127.5-67.5171.8000120.9
190V34.3Very low34.7Very low125 Ų125131.5 Ų131.576%0.75880%0.804SS**  trans39.9140.6136-134.30000119.1
191V41.8Very low34.6Very low132 Ų132131 Ų13180%0.881%0.808SS**  -164.3152.159.5179.70000110.8
192P42Very low34.4Very low118 Ų118129.1 Ų129.177%0.76681%0.806SS**  trans-99.3161.5-170.838.8-35.4000115.8
193A32.6Very low34.2Very low99 Ų99134.5 Ų134.582%0.81882%0.817SS**  trans-152.9140.7158.800000113
194S30.5Very low34.2Very low127 Ų127132.5 Ų132.589%0.88881%0.814SS**  trans-46.5132.3178.1-43.30000116.7
195A32.5Very low34Very low104 Ų104131 Ų13186%0.8681%0.812SS**  trans-152.8131.4150.200000111.4
196L32.8Very low34Very low170 Ų170132.1 Ų132.189%0.8981%0.814SS**  trans-93.9110.9-176.9179.8168.4000108.8
197Q34.9Very low33.6Very low178 Ų178132.5 Ų132.583%0.83283%0.827SS**  trans-161.8154.8158.1-122.216610.200115
198Q31.3Very low33.5Very low190 Ų190126 Ų12689%0.88881%0.812SS**  trans-72.5149.1-177.1-61.2135.7-47.200112.1
199G28.9Very low33.7Very low68 Ų68126.7 Ų126.770%0.70182%0.819SS**  trans155.7127161.900000114.6
200N30.7Very low33.9Very low166 Ų166123.8 Ų123.889%0.88881%0.809SS**  trans19.9116.4157.5-64.67.9000119.1
201V33.9Very low33.9Very low149 Ų149124.6 Ų124.690%0.90381%0.814SS**  trans-105.2122.3150.5-74.20000109.8
202A33.6Very low33.7Very low96 Ų96127.3 Ų127.379%0.79381%0.811SS**  trans-72.8146-179.100000111.5A204A202-A204 PolarHBondContact O-N 3.02Å
203M28.7Very low33.6Very low174 Ų174129.6 Ų129.686%0.85781%0.812SS**  trans-72.7109.4174.2-174-167-78.100109.8T205M203-T205 HydrophobicContact SD-CG2 4.43Å
204A36.2Very low34.1Very low91 Ų91129.8 Ų129.875%0.75280%0.804SS**  trans-80.1115.316700000109.2A202A202-A204 PolarHBondContact O-N 3.02Å
205T31.8Very low34.6Very low125 Ų125129.3 Ų129.377%0.76780%0.796SS**  trans-82.8127.2177.171.40000109.6M203M203-T205 HydrophobicContact SD-CG2 4.43Å
206V36.6Very low35.1Very low130 Ų130128.8 Ų128.879%0.78878%0.782SS**  trans-118.7131.7167.7-710000108.9G208V206-G208 PolarHBondContact O-N 3.35Å
207A32.4Very low35.6Very low115 Ų115124.8 Ų124.895%0.9577%0.765SS**SBendtrans-75.7118.9179.800000110
208G34.4Very low36.1Very low60 Ų60120.9 Ų120.962%0.61975%0.753SS**SBendtrans142.7100.6-178.300000110.5V206 T210V206-G208 PolarHBondContact O-N 3.35Å; G208-T210 PolarHBondContact O-N 3.15Å; G208-T210 VanDerWaalsContact O-N 3.08Å
209G34.2Very low37.4Very low84 Ų84114.1 Ų114.187%0.86672%0.724SS**  trans-68.6105.3-169.200000113.9
210T37.7Very low38.3Very low98 Ų98117.6 Ų117.660%0.60173%0.734SS**  trans-148.8127.6156.531.50000108.8G208 Y212G208-T210 PolarHBondContact O-N 3.15Å; G208-T210 VanDerWaalsContact O-N 3.08Å; T210-Y212 VanDerWaalsContact OG1-CE2 3.27Å; T210-Y212 WeakPolarHBondContact OG1-CE2 3.35Å
211V34.2Very low39.1Very low143 Ų143117.6 Ų117.687%0.86773%0.729SS**  trans-89.4110.7177.6177.20000108.5
212Y37.6Very low39.6Very low189 Ų189113.2 Ų113.274%0.74171%0.714SS**PPolyproline II helixtrans-94.8121.4174.6-71-91.2000110.3T210T210-Y212 VanDerWaalsContact OG1-CE2 3.27Å; T210-Y212 WeakPolarHBondContact OG1-CE2 3.35Å
213Q40Very low39.8Very low166 Ų166114.7 Ų114.778%0.77671%0.705SS**PPolyproline II helixtrans-91.9126.4167.9-74.5-78.747.400109.7V215Q213-V215 PolarHBondContact O-N 3.08Å
214P42.3Very low40.5Very low102 Ų102111 Ų11166%0.66269%0.692SS**PPolyproline II helixtrans-75.6119.917530-32.1000110.3
215V42Very low40.8Very low118 Ų118109.2 Ų109.272%0.71567%0.671SS**PPolyproline II helixtrans-92.7116.5168.8173.20000109.1Q213 V217Q213-V215 PolarHBondContact O-N 3.08Å; V215-V217 HydrophobicContact CG1-CG2 4.3Å; V215-V217 PolarHBondContact O-N 3.39Å
216T44.1Very low41.1Very low92 Ų92108.6 Ų108.656%0.56467%0.667SS**PPolyproline II helixtrans-75120.2173.8-43.50000109.8V224T216-V224 HydrophobicContact CG2-CG1 3.28Å
217V42.8Very low41.2Very low87 Ų87108.6 Ų108.653%0.52766%0.659SS.*EExtended strand (participates in β ladder)trans-107.3125.4174.6-172.50000109.4V215 V225V215-V217 HydrophobicContact CG1-CG2 4.3Å; V215-V217 PolarHBondContact O-N 3.39Å; V217-V225 PolarHBondContact O-N 3.21Å
218V44.1Very low41.3Very low96 Ų96109.8 Ų109.858%0.58266%0.655SS**EExtended strand (participates in β ladder)trans-92.1123.1172.2177.50000108.3
219T60.2Low41.5Very low47 Ų47112.4 Ų112.429%0.28865%0.654SS.*  trans-75.6156.8175.156.90000111.2Q221 G222 Q223 V225T219-Q221 PolarHBondContact O-N 3.33Å; T219-G222 PolarHBondContact O-N 3.38Å; T219-Q223 PolarHBondContact N-O 3.31Å; T219-Q223 WeakPolarHBondContact OG1-CB 3.47Å; T219-Q223 PolarHBondContact OG1-N 3.32Å; T219-Q223 PolarHBondContact OG1-O 3.42Å; T219-V225 HydrophobicContact CG2-CG2 4.34Å
220P47.6Very low41.5Very low141 Ų141113.1 Ų113.192%0.91665%0.646SS**THydrogen-bonded Turntrans-64.63.5176.526.2-35.3000115.1
221Q47.8Very low41.4Very low166 Ų166115.1 Ų115.178%0.77666%0.66SS**THydrogen-bonded Turntrans-105.98.5171-61.1-177.99.800112.6T219 Q223T219-Q221 PolarHBondContact O-N 3.33Å; Q221-Q223 VanDerWaalsContact C-N 3.26Å; Q221-Q223 PolarHBondContact O-N 3.43Å
222G44.3Very low41.7Very low57 Ų57112 Ų11259%0.58866%0.657SS**SBendtrans77.62.318000000115.1T219T219-G222 PolarHBondContact O-N 3.38Å
223Q36.2Very low41.6Very low127 Ų127108.2 Ų108.259%0.59365%0.654SS**  trans-79.4128.7174.1-75.2-177.2-30.200111.1T219 Q221 V225T219-Q223 PolarHBondContact N-O 3.31Å; T219-Q223 WeakPolarHBondContact OG1-CB 3.47Å; T219-Q223 PolarHBondContact OG1-N 3.32Å; T219-Q223 PolarHBondContact OG1-O 3.42Å; Q221-Q223 VanDerWaalsContact C-N 3.26Å; Q221-Q223 PolarHBondContact O-N 3.43Å; Q223-V225 HydrophobicContact CB-CG2 4.39Å
224V44.3Very low41.7Very low97 Ų97107.5 Ų107.559%0.58865%0.654SS**EExtended strand (participates in β ladder)trans-86.9118.2173.4-163.70000108.1T216T216-V224 HydrophobicContact CG2-CG1 3.28Å
225V41.8Very low41.6Very low54 Ų54113.8 Ų113.833%0.32766%0.664SS.*EExtended strand (participates in β ladder)trans-126.5112.7-176.3-173.70000110.5V217 T219 Q223 Q227V217-V225 PolarHBondContact O-N 3.21Å; T219-V225 HydrophobicContact CG2-CG2 4.34Å; Q223-V225 HydrophobicContact CB-CG2 4.39Å; V225-Q227 HydrophobicContact CG1-CG 4.12Å; V225-Q227 PolarHBondContact O-N 3.15Å
226T38.5Very low41.8Very low111 Ų111113.6 Ų113.668%0.68166%0.658SS**  trans-79.699170.2-54.70000109
227Q39.3Very low41.6Very low131 Ų131118.5 Ų118.561%0.61267%0.674SS**  trans-104.6122.2175.6-104.7-173.186.200111.3V225 L229V225-Q227 HydrophobicContact CG1-CG 4.12Å; V225-Q227 PolarHBondContact O-N 3.15Å; Q227-L229 HydrophobicContact CB-CD1 4.01Å; Q227-L229 HydrophobicContact CB-CG 4.12Å; Q227-L229 PolarHBondContact O-N 3.44Å; Q227-L229 VanDerWaalsContact O-N 3.09Å
228T34Very low41.6Very low140 Ų140117.9 Ų117.986%0.85967%0.668SS**  trans-77.586.2168.752.30000109.5
229L38.5Very low41.5Very low115 Ų115117.9 Ų117.960%0.60267%0.672SS**  trans-87.2111.2-178.1-78.1150.3000111.3Q227Q227-L229 HydrophobicContact CB-CD1 4.01Å; Q227-L229 HydrophobicContact CB-CG 4.12Å; Q227-L229 PolarHBondContact O-N 3.44Å; Q227-L229 VanDerWaalsContact O-N 3.09Å
230S35.1Very low40.7Very low99 Ų99123.1 Ų123.169%0.69269%0.693SS**  trans-58.4145.4168.9-54.50000111.2G232S230-G232 PolarHBondContact O-N 3.06Å
231P36Very low40.9Very low139 Ų139121.3 Ų121.390%0.90368%0.676SS**THydrogen-bonded Turntrans-72.292.7-178.430.1-34.7000110.4
232G39.4Very low40.6Very low78 Ų78117.7 Ų117.780%0.80466%0.659SS**THydrogen-bonded Turntrans-175.8-5-17900000118.6S230S230-G232 PolarHBondContact O-N 3.06Å
233T35.2Very low41Very low110 Ų110121.1 Ų121.168%0.67566%0.663SS**  trans-139.778.5-176.6-155.70000114.6
234I41.7Very low41.4Very low150 Ų150121.9 Ų121.977%0.76967%0.667SS**  trans-128.384.3151.3-56.7-174.1000107.5I236I234-I236 HydrophobicContact CG2-CD1 4.49Å; I234-I236 HydrophobicContact CG2-CG1 3.9Å; I234-I236 PolarHBondContact O-N 2.97Å
235R40.9Very low41.7Very low235 Ų235122.7 Ų122.789%0.88767%0.667SS**  trans-80.181.9177.1-170.5176.6-173.6157.21.5109.7Q237R235-Q237 PolarHBondContact O-N 3.37Å
236I45.2Very low41.9Very low113 Ų113125.2 Ų125.258%0.57968%0.678SS**  trans-63.7126.1171.9-56.2-177.2000108.4I234 N238I234-I236 HydrophobicContact CG2-CD1 4.49Å; I234-I236 HydrophobicContact CG2-CG1 3.9Å; I234-I236 PolarHBondContact O-N 2.97Å; I236-N238 PolarHBondContact O-N 3.43Å
237Q40Very low42.6Very low196 Ų196126.1 Ų126.192%0.91668%0.675SS**SBendtrans-82.142.3-168.1-156.4174.755.400112.8R235R235-Q237 PolarHBondContact O-N 3.37Å
238N42.8Very low42.8Very low74 Ų74123.7 Ų123.740%0.39667%0.666SS.*  trans-149.291.1172.3-163.8-58.6000109.9I236 Q240 L241 Q242I236-N238 PolarHBondContact O-N 3.43Å; N238-Q240 PolarHBondContact O-N 2.95Å; N238-Q240 PolarHBondContact OD1-N 2.86Å; N238-L241 PolarHBondContact OD1-N 3.14Å; N238-L241 VanDerWaalsContact OD1-N 3.09Å; N238-Q242 PolarHBondContact O-N 2.66Å
239S43Very low43.6Very low96 Ų96122.3 Ų122.367%0.67165%0.653SS**Hα-helixtrans-68-19.6-176.236.90000113.8
240Q44.1Very low43.9Very low156 Ų156119.5 Ų119.573%0.72964%0.643SS**Hα-helixtrans-78.5-47.8179.5-163.4177.554.400111.4N238 Q242 L243 Q244N238-Q240 PolarHBondContact O-N 2.95Å; N238-Q240 PolarHBondContact OD1-N 2.86Å; Q240-Q242 VanDerWaalsContact C-N 3.33Å; Q240-Q242 PolarHBondContact O-N 3.27Å; Q240-L243 PolarHBondContact O-N 2.91Å; Q240-Q244 PolarHBondContact O-N 3.16Å
241L51.1Low44.8Very low103 Ų103120.4 Ų120.454%0.53964%0.639SS.*Hα-helixtrans-65-33.3175.9-85.3161.1000113N238 L243 Q244 L245N238-L241 PolarHBondContact OD1-N 3.14Å; N238-L241 VanDerWaalsContact OD1-N 3.09Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.2Å; L241-Q244 PolarHBondContact O-N 3.07Å; L241-L245 WeakPolarHBondContact O-CB 3.36Å; L241-L245 WeakPolarHBondContact O-CG 3.34Å; L241-L245 PolarHBondContact O-N 3.02Å
242Q40.3Very low45.5Very low91 Ų91119.9 Ų119.943%0.42563%0.628SS.*Hα-helixtrans-66.8-33.2-179.5-173.3171.290.500113.2N238 Q240 N246N238-Q242 PolarHBondContact O-N 2.66Å; Q240-Q242 VanDerWaalsContact C-N 3.33Å; Q240-Q242 PolarHBondContact O-N 3.27Å; Q242-N246 WeakPolarHBondContact O-CB 3.42Å; Q242-N246 PolarHBondContact O-N 3.48Å; Q242-N246 PolarHBondContact O-ND2 3.32Å; Q242-N246 VanDerWaalsContact O-ND2 3.1Å
243L52.7Low45.6Very low128 Ų128124.2 Ų124.267%0.6763%0.627SS**Hα-helixtrans-71.2-43.2175.5-73.3165.4000111.4Q240 L241 N246 Q247Q240-L243 PolarHBondContact O-N 2.91Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.2Å; L243-N246 PolarHBondContact O-N 3.43Å; L243-Q247 WeakPolarHBondContact O-CB 3.49Å; L243-Q247 PolarHBondContact O-N 3.24Å; L243-Q247 VanDerWaalsContact O-N 3.09Å
244Q46.3Very low45.7Very low144 Ų144126.9 Ų126.967%0.67363%0.632SS**Hα-helixtrans-60.5-46.7176.5-157.494.4-4.700111.3Q240 L241 Q247 D248Q240-Q244 PolarHBondContact O-N 3.16Å; L241-Q244 PolarHBondContact O-N 3.07Å; Q244-Q247 PolarHBondContact O-N 3.2Å; Q244-D248 PolarHBondContact O-N 3.01Å; Q244-D248 VanDerWaalsContact O-N 3.09Å
245L49.7Very low45.5Very low113 Ų113125.9 Ų125.959%0.59263%0.628SS**Hα-helixtrans-71.1-35.3-179.6-73.6169.9000113.2L241 Q247 D248 L249L241-L245 WeakPolarHBondContact O-CB 3.36Å; L241-L245 WeakPolarHBondContact O-CG 3.34Å; L241-L245 PolarHBondContact O-N 3.02Å; L245-Q247 VanDerWaalsContact C-N 3.28Å; L245-Q247 PolarHBondContact O-N 3.49Å; L245-D248 PolarHBondContact O-N 3.39Å; L245-L249 WeakPolarHBondContact O-CB 3.33Å; L245-L249 PolarHBondContact O-N 3.03Å
246N46.4Very low45.3Very low107 Ų107123.5 Ų123.557%0.57263%0.633SS**Hα-helixtrans-65.2-34.2172-95.9-94.8000111.9Q242 L243 S250Q242-N246 WeakPolarHBondContact O-CB 3.42Å; Q242-N246 PolarHBondContact O-N 3.48Å; Q242-N246 PolarHBondContact O-ND2 3.32Å; Q242-N246 VanDerWaalsContact O-ND2 3.1Å; L243-N246 PolarHBondContact O-N 3.43Å; N246-S250 VanDerWaalsContact O-CB 3.3Å; N246-S250 WeakPolarHBondContact O-CB 3.27Å; N246-S250 PolarHBondContact O-N 3.47Å; N246-S250 PolarHBondContact O-OG 2.88Å
247Q52Low45Very low131 Ų131120.1 Ų120.161%0.61263%0.625SS**Hα-helixtrans-69-39.7177-152.8172.511100111.5L243 Q244 L245 S250 I251L243-Q247 WeakPolarHBondContact O-CB 3.49Å; L243-Q247 PolarHBondContact O-N 3.24Å; L243-Q247 VanDerWaalsContact O-N 3.09Å; Q244-Q247 PolarHBondContact O-N 3.2Å; L245-Q247 VanDerWaalsContact C-N 3.28Å; L245-Q247 PolarHBondContact O-N 3.49Å; Q247-S250 PolarHBondContact O-OG 3.3Å; Q247-I251 VanDerWaalsContact O-CD1 3.3Å; Q247-I251 WeakPolarHBondContact O-CD1 3.44Å; Q247-I251 VanDerWaalsContact O-CG1 3.29Å; Q247-I251 WeakPolarHBondContact O-CG1 3.31Å
248D45.2Very low44.8Very low79 Ų79116 Ų11642%0.42262%0.619SS.*Hα-helixtrans-70.1-36.2176.1-151.9-106.3000112.5Q244 L245Q244-D248 PolarHBondContact O-N 3.01Å; Q244-D248 VanDerWaalsContact O-N 3.09Å; L245-D248 PolarHBondContact O-N 3.39Å
249L50Low44.8Very low111 Ų111117.9 Ų117.958%0.58164%0.637SS**Hα-helixtrans-78.9-31.1-179.9-129.974.1000114.3L245 I251 L252L245-L249 WeakPolarHBondContact O-CB 3.33Å; L245-L249 PolarHBondContact O-N 3.03Å; L249-I251 VanDerWaalsContact C-N 3.29Å; L249-I251 PolarHBondContact O-N 2.74Å; L249-L252 PolarHBondContact O-N 2.83Å
250S45.7Very low44.7Very low57 Ų57122.9 Ų122.940%0.39965%0.647SS.*Hα-helixtrans-69.5-27.2176.748.90000112.6N246 Q247 L252 H253 Q254N246-S250 VanDerWaalsContact O-CB 3.3Å; N246-S250 WeakPolarHBondContact O-CB 3.27Å; N246-S250 PolarHBondContact O-N 3.47Å; N246-S250 PolarHBondContact O-OG 2.88Å; Q247-S250 PolarHBondContact O-OG 3.3Å; S250-L252 PolarHBondContact O-N 3.05Å; S250-H253 PolarHBondContact O-N 2.75Å; S250-Q254 WeakPolarHBondContact O-CB 3.21Å
251I52.2Low44.5Very low117 Ų117123.5 Ų123.560%0.666%0.655SS**THydrogen-bonded Turntrans-66.4-19.6175.2-70.9168.3000112.9Q247 L249Q247-I251 VanDerWaalsContact O-CD1 3.3Å; Q247-I251 WeakPolarHBondContact O-CD1 3.44Å; Q247-I251 VanDerWaalsContact O-CG1 3.29Å; Q247-I251 WeakPolarHBondContact O-CG1 3.31Å; L249-I251 VanDerWaalsContact C-N 3.29Å; L249-I251 PolarHBondContact O-N 2.74Å
252L52Low44.1Very low128 Ų128127.8 Ų127.867%0.6767%0.669SS**THydrogen-bonded Turntrans-93.8-10.3179.7-64.3-179.1000114.7L249 S250L249-L252 PolarHBondContact O-N 2.83Å; S250-L252 PolarHBondContact O-N 3.05Å
253H40.9Very low44.6Very low169 Ų169134.9 Ų134.978%0.78269%0.693SS**SBendtrans-12722.3-175.9-66.8149.5000113.9S250S250-H253 PolarHBondContact O-N 2.75Å
254Q36.7Very low45.2Very low167 Ų167132.9 Ų132.978%0.7870%0.702SS**  trans-130.272-177.2-169.7166.682.200112.7S250S250-Q254 WeakPolarHBondContact O-CB 3.21Å
255D37.6Very low46.9Very low129 Ų129132 Ų13269%0.6971%0.707SS**  trans-172.485139.2-167.9-111.6000110.5G257D255-G257 VanDerWaalsContact C-N 3.3Å; D255-G257 PolarHBondContact O-N 3.36Å
256D37.4Very low48.8Very low185 Ų185129 Ų12999%0.98969%0.691SS**  trans-94.972.2157.3-156.1-88.3000107.2
257G39Very low51Low41 Ų41127.4 Ų127.442%0.42369%0.687SS.*SBendtrans-141.16.2-157.100000116.6D255D255-G257 VanDerWaalsContact C-N 3.3Å; D255-G257 PolarHBondContact O-N 3.36Å
258S36.6Very low52.9Low111 Ų111129.7 Ų129.778%0.77670%0.695SS**  trans60.679.5166.771.50000118.5
259S41Very low55.2Low112 Ų112131.5 Ų131.578%0.78370%0.7SS**SBendtrans-172.898130.9-90.40000116.5
260K42.6Very low57.3Low201 Ų201126.2 Ų126.287%0.87467%0.673SS**  trans60.884.3149.2-70171.7178.5162.60118.1K262K260-K262 PolarHBondContact O-N 3.01Å; K260-K262 VanDerWaalsContact O-N 3.14Å
261N38.8Very low59.7Low170 Ų170124.8 Ų124.891%0.90966%0.661SS**  trans-33.8109156.9-78.7-32.8000115.5
262K42.9Very low61.7Low192 Ų192123.8 Ų123.884%0.83566%0.657SS**  trans-129.361.5154.6-78.6-169.5177-179.90111.3K260 G264K260-K262 PolarHBondContact O-N 3.01Å; K260-K262 VanDerWaalsContact O-N 3.14Å; K262-G264 PolarHBondContact O-N 3.27Å
263R50.2Low63.8Low241 Ų241119 Ų11991%0.90963%0.633SS**THydrogen-bonded Turntrans38.573.8155.8-157.1-174.5-58.5-164.52.9115.7V265R263-V265 PolarHBondContact O-N 3.38Å
264G65.4Low66.4Low85 Ų85110.9 Ų110.988%0.87660%0.596SS**THydrogen-bonded Turntrans61.23415500000117.6K262K262-G264 PolarHBondContact O-N 3.27Å
265V83.5Confident69.1Low127 Ų127108.7 Ų108.777%0.7758%0.58SS**PPolyproline II helixtrans-86.8123.6174-175.70000110R263R263-V265 PolarHBondContact O-N 3.38Å
266L89Confident71.9Confident49 Ų49106.5 Ų106.526%0.25758%0.575SS.*PPolyproline II helixtrans-64.7152.7177.6-69156.3000111.8M274 L301 W309L266-M274 HydrophobicContact CD1-CE 4.39Å; L266-L301 HydrophobicContact CD2-CD1 3.91Å; L266-L301 HydrophobicContact CD2-CD2 3.57Å; L266-L301 HydrophobicContact CD2-CG 4.41Å; L266-W309 HydrophobicContact CD1-CG 4.4Å
267P91.9Very high74.7Confident74 Ų7499.2 Ų99.248%0.48153%0.533SS..PPolyproline II helixtrans-51.9144.3178.6-27.635.2000113.2H269 A270 T271P267-H269 VanDerWaalsContact C-N 3.35Å; P267-H269 PolarHBondContact O-N 2.97Å; P267-A270 HydrophobicContact CB-CB 4.07Å; P267-A270 HydrophobicContact CG-CB 4.48Å; P267-A270 WeakPolarHBondContact O-CB 3.48Å; P267-A270 PolarHBondContact O-N 3.42Å; P267-T271 PolarHBondContact O-N 3.17Å; P267-T271 PolarHBondContact O-OG1 2.9Å; P267-T271 VanDerWaalsContact O-OG1 3.05Å
268K91.4Very high77.3Confident179 Ų17997.4 Ų97.478%0.77851%0.514SS*.Hα-helixtrans-60-43.6-179.5-71.8-175.4178.7179.60112.1T271 N272K268-T271 PolarHBondContact O-N 3.47Å; K268-N272 WeakPolarHBondContact O-CB 3.23Å; K268-N272 PolarHBondContact O-N 2.79Å; K268-N272 PolarHBondContact O-OD1 3.44Å
269H93.9Very high79.9Confident117 Ų11797.4 Ų97.454%0.54250%0.5SS..Hα-helixtrans-57.4-51.2175.7173.166000111.2P267 T271 N272 V273P267-H269 VanDerWaalsContact C-N 3.35Å; P267-H269 PolarHBondContact O-N 2.97Å; H269-T271 PolarHBondContact O-N 3.25Å; H269-N272 WeakPolarHBondContact O-CB 3.35Å; H269-N272 PolarHBondContact O-N 2.86Å; H269-N272 VanDerWaalsContact O-N 3.08Å; H269-V273 PolarHBondContact O-N 2.86Å
270A95.2Very high82.4Confident0 Ų099.2 Ų99.20%050%0.496CS..Hα-helixtrans-56-47.5176.900000112.8P267 N272 V273 M274 T299 L301P267-A270 HydrophobicContact CB-CB 4.07Å; P267-A270 HydrophobicContact CG-CB 4.48Å; P267-A270 WeakPolarHBondContact O-CB 3.48Å; P267-A270 PolarHBondContact O-N 3.42Å; A270-N272 VanDerWaalsContact C-N 3.29Å; A270-N272 PolarHBondContact O-N 2.88Å; A270-V273 PolarHBondContact O-N 3.27Å; A270-M274 HydrophobicContact CB-CE 4.39Å; A270-M274 WeakPolarHBondContact O-CE 3.35Å; A270-M274 WeakPolarHBondContact O-CG 3.35Å; A270-M274 PolarHBondContact O-N 2.88Å; A270-M274 VanDerWaalsContact O-N 3.14Å; A270-T299 HydrophobicContact CB-CG2 4Å; A270-L301 HydrophobicContact CB-CD1 3.85Å; A270-L301 HydrophobicContact CB-CG 4.13Å
271T94.7Very high84.8Confident26 Ų2693 Ų9316%0.1647%0.47CS..Hα-helixtrans-63.1-35.2177.6-56.60000112.2P267 K268 H269 R275 W309P267-T271 PolarHBondContact O-N 3.17Å; P267-T271 PolarHBondContact O-OG1 2.9Å; P267-T271 VanDerWaalsContact O-OG1 3.05Å; K268-T271 PolarHBondContact O-N 3.47Å; H269-T271 PolarHBondContact O-N 3.25Å; T271-R275 HydrophobicContact CG2-CG 4.43Å; T271-R275 WeakPolarHBondContact O-CB 3.45Å; T271-R275 VanDerWaalsContact O-CG 3.23Å; T271-R275 WeakPolarHBondContact O-CG 3.5Å; T271-R275 PolarHBondContact O-N 3.47Å; T271-W309 HydrophobicContact CG2-CZ2 4.38Å
272N95.4Very high87.2Confident96 Ų9687.8 Ų87.851%0.51344%0.442SS..Hα-helixtrans-69.3-45.3178-70.9-6.4000111.6K268 H269 A270 M274 R275 S276K268-N272 WeakPolarHBondContact O-CB 3.23Å; K268-N272 PolarHBondContact O-N 2.79Å; K268-N272 PolarHBondContact O-OD1 3.44Å; H269-N272 WeakPolarHBondContact O-CB 3.35Å; H269-N272 PolarHBondContact O-N 2.86Å; H269-N272 VanDerWaalsContact O-N 3.08Å; A270-N272 VanDerWaalsContact C-N 3.29Å; A270-N272 PolarHBondContact O-N 2.88Å; N272-M274 PolarHBondContact O-N 3.02Å; N272-R275 PolarHBondContact O-N 3.2Å; N272-S276 WeakPolarHBondContact O-CB 3.3Å; N272-S276 PolarHBondContact O-N 2.74Å; N272-S276 PolarHBondContact O-OG 3.31Å
273V95.9Very high89.4Confident27 Ų2782.3 Ų82.316%0.16444%0.44CS..Hα-helixtrans-56.7-51.5175.8173.40000110.6H269 A270 R275 S276 W277 T299H269-V273 PolarHBondContact O-N 2.86Å; A270-V273 PolarHBondContact O-N 3.27Å; V273-R275 VanDerWaalsContact C-N 3.35Å; V273-R275 PolarHBondContact O-N 2.86Å; V273-S276 PolarHBondContact O-N 2.7Å; V273-W277 PolarHBondContact O-N 3.02Å; V273-T299 HydrophobicContact CB-CG2 3.7Å; V273-T299 HydrophobicContact CG1-CG2 3.82Å; V273-T299 HydrophobicContact CG2-CG2 4.14Å
274M95.6Very high91.3Very high0 Ų077.1 Ų77.10%043%0.426CS..Hα-helixtrans-64.6-35.6-179.4-65.4-175.2-73.900113L266 A270 N272 L278 I295 L301 V306 W309 F310L266-M274 HydrophobicContact CD1-CE 4.39Å; A270-M274 HydrophobicContact CB-CE 4.39Å; A270-M274 WeakPolarHBondContact O-CE 3.35Å; A270-M274 WeakPolarHBondContact O-CG 3.35Å; A270-M274 PolarHBondContact O-N 2.88Å; A270-M274 VanDerWaalsContact O-N 3.14Å; N272-M274 PolarHBondContact O-N 3.02Å; M274-L278 VanDerWaalsContact O-CB 3.31Å; M274-L278 WeakPolarHBondContact O-CB 3.17Å; M274-L278 PolarHBondContact O-N 3.14Å; M274-I295 HydrophobicContact CG-CG2 3.59Å; M274-I295 HydrophobicContact SD-CG2 4.36Å; M274-L301 HydrophobicContact CE-CD1 3.59Å; M274-L301 HydrophobicContact SD-CD1 4.14Å; M274-V306 HydrophobicContact SD-CG1 4.42Å; M274-V306 HydrophobicContact SD-CG2 4.36Å; M274-W309 HydrophobicContact CB-CD2 3.84Å; M274-W309 HydrophobicContact CB-CE3 3.54Å; M274-W309 HydrophobicContact CB-CH2 3.74Å; M274-W309 HydrophobicContact CB-CZ2 4Å; M274-W309 HydrophobicContact CB-CZ3 3.5Å; M274-W309 HydrophobicContact CE-CB 4.13Å; M274-W309 HydrophobicContact CE-CD2 3.85Å; M274-W309 HydrophobicContact CE-CG 3.58Å; M274-W309 HydrophobicContact CG-CD2 4.38Å; M274-W309 HydrophobicContact CG-CE3 4.25Å; M274-W309 HydrophobicContact SD-CB 3.72Å; M274-W309 HydrophobicContact SD-CD2 3.68Å; M274-W309 HydrophobicContact SD-CE3 3.95Å; M274-W309 HydrophobicContact SD-CG 3.57Å; M274-W309 VanDerWaalsContact SD-CG 3.57Å; M274-F310 HydrophobicContact CB-CE2 4.48Å; M274-F310 HydrophobicContact CB-CZ 4.24Å; M274-F310 HydrophobicContact CG-CE2 4.31Å
275R94.2Very high92.5Very high121 Ų12173.2 Ų73.246%0.45739%0.385SS..Hα-helixtrans-66.9-44.1172.8-79178.9178.9-143.9-1.2112.4T271 N272 V273 W277 L278 F279 W309T271-R275 HydrophobicContact CG2-CG 4.43Å; T271-R275 WeakPolarHBondContact O-CB 3.45Å; T271-R275 VanDerWaalsContact O-CG 3.23Å; T271-R275 WeakPolarHBondContact O-CG 3.5Å; T271-R275 PolarHBondContact O-N 3.47Å; N272-R275 PolarHBondContact O-N 3.2Å; V273-R275 VanDerWaalsContact C-N 3.35Å; V273-R275 PolarHBondContact O-N 2.86Å; R275-W277 VanDerWaalsContact C-N 3.34Å; R275-W277 PolarHBondContact O-N 3.4Å; R275-L278 PolarHBondContact O-N 2.86Å; R275-F279 HydrophobicContact CB-CD2 4.32Å; R275-F279 HydrophobicContact CB-CE2 4.13Å; R275-F279 HydrophobicContact CG-CE2 4.49Å; R275-F279 WeakPolarHBondContact O-CD2 3.43Å; R275-F279 PolarHBondContact O-N 2.87Å; R275-W309 HydrophobicContact CB-CH2 4.46Å; R275-W309 HydrophobicContact CG-CH2 3.76Å; R275-W309 HydrophobicContact CG-CZ2 3.76Å
276S95.3Very high93.1Very high82 Ų8273.5 Ų73.557%0.57337%0.373SS*.Hα-helixtrans-60-46.2178.7-62.80000111N272 V273 L278 F279 Q280N272-S276 WeakPolarHBondContact O-CB 3.3Å; N272-S276 PolarHBondContact O-N 2.74Å; N272-S276 PolarHBondContact O-OG 3.31Å; V273-S276 PolarHBondContact O-N 2.7Å; S276-L278 PolarHBondContact O-N 2.86Å; S276-F279 PolarHBondContact O-N 3.43Å; S276-Q280 WeakPolarHBondContact O-CB 3.24Å; S276-Q280 PolarHBondContact O-N 3.47Å
277W95.9Very high93.4Very high32 Ų3271.6 Ų71.612%0.12136%0.364CS..Hα-helixtrans-60.7-44.6174.3-171.899.4000111.6V273 R275 F279 Q280 H281 P287 E291 I295 F310V273-W277 PolarHBondContact O-N 3.02Å; R275-W277 VanDerWaalsContact C-N 3.34Å; R275-W277 PolarHBondContact O-N 3.4Å; W277-F279 PolarHBondContact O-N 3.3Å; W277-Q280 PolarHBondContact O-N 3.38Å; W277-H281 AromaticContact CD1-CE1 3.84Å; W277-H281 AromaticContact CD1-ND1 3.8Å; W277-H281 AromaticContact CD2-ND1 3.49Å; W277-H281 AromaticContact CE2-CE1 3.64Å; W277-H281 AromaticContact CE2-CG 3.82Å; W277-H281 AromaticContact CE2-ND1 3.22Å; W277-H281 HydrophobicContact CE3-CB 4.25Å; W277-H281 AromaticContact CG-ND1 3.82Å; W277-H281 HydrophobicContact CH2-CB 3.61Å; W277-H281 AromaticContact CH2-CG 3.8Å; W277-H281 HydrophobicContact CZ2-CB 3.96Å; W277-H281 AromaticContact CZ2-CE1 3.99Å; W277-H281 AromaticContact CZ2-CG 3.59Å; W277-H281 AromaticContact CZ2-ND1 3.51Å; W277-H281 HydrophobicContact CZ3-CB 3.8Å; W277-H281 AromaticContact NE1-CE1 3.43Å; W277-H281 PolarHBondContact NE1-CE1 3.38Å; W277-H281 AromaticContact NE1-ND1 3.47Å; W277-H281 PolarHBondContact NE1-ND1 2.91Å; W277-H281 PolarHBondContact O-N 3.28Å; W277-H281 PolarHBondContact O-ND1 3.38Å; W277-P287 HydrophobicContact CD2-CB 4.45Å; W277-P287 HydrophobicContact CE3-CB 4.42Å; W277-P287 VanDerWaalsContact CH2-CA 3.43Å; W277-P287 HydrophobicContact CH2-CB 3.59Å; W277-P287 HydrophobicContact CH2-CG 4.07Å; W277-P287 VanDerWaalsContact CH2-N 3.3Å; W277-P287 VanDerWaalsContact CZ2-CA 3.5Å; W277-P287 HydrophobicContact CZ2-CB 3.54Å; W277-P287 HydrophobicContact CZ2-CG 4.48Å; W277-P287 HydrophobicContact CZ3-CB 4.02Å; W277-P287 HydrophobicContact CZ3-CG 4.1Å; W277-E291 VanDerWaalsContact CE2-OE1 3.29Å; W277-E291 VanDerWaalsContact CZ2-OE1 3.29Å; W277-E291 WeakPolarHBondContact CZ2-OE1 3.31Å; W277-E291 PolarHBondContact NE1-OE1 3.48Å; W277-I295 HydrophobicContact CB-CD1 4.16Å; W277-I295 HydrophobicContact CD2-CD1 4.32Å; W277-I295 HydrophobicContact CG-CD1 3.86Å; W277-F310 HydrophobicContact CB-CZ 4.49Å; W277-F310 HydrophobicContact CD2-CE1 4.38Å; W277-F310 HydrophobicContact CD2-CZ 4.16Å; W277-F310 HydrophobicContact CE3-CD1 4.41Å; W277-F310 AromaticContact CE3-CE1 3.42Å; W277-F310 HydrophobicContact CE3-CE1 3.42Å; W277-F310 VanDerWaalsContact CE3-CE1 3.42Å; W277-F310 AromaticContact CE3-CZ 3.64Å; W277-F310 HydrophobicContact CE3-CZ 3.64Å; W277-F310 HydrophobicContact CZ3-CD1 4.47Å; W277-F310 AromaticContact CZ3-CE1 3.88Å; W277-F310 HydrophobicContact CZ3-CE1 3.88Å; W277-F310 HydrophobicContact CZ3-CZ 4.37Å
278L94.1Very high93.5Very high3 Ų371.8 Ų71.82%0.01636%0.363CS..Hα-helixtrans-61.2-42.8-179.6-179.168.8000113.1M274 R275 S276 H281 I282 P285 W309 F310 A313 I317M274-L278 VanDerWaalsContact O-CB 3.31Å; M274-L278 WeakPolarHBondContact O-CB 3.17Å; M274-L278 PolarHBondContact O-N 3.14Å; R275-L278 PolarHBondContact O-N 2.86Å; S276-L278 PolarHBondContact O-N 2.86Å; L278-H281 CarbonylContact O-C 3.47Å; L278-H281 PolarHBondContact O-N 3.04Å; L278-I282 WeakPolarHBondContact O-CA 3.38Å; L278-I282 PolarHBondContact O-N 3.05Å; L278-P285 HydrophobicContact CD1-CB 3.56Å; L278-W309 HydrophobicContact CB-CZ3 4.43Å; L278-W309 HydrophobicContact CD2-CH2 4.11Å; L278-W309 HydrophobicContact CD2-CZ3 4.21Å; L278-F310 HydrophobicContact CB-CE1 4.21Å; L278-F310 HydrophobicContact CD1-CD1 4.39Å; L278-F310 HydrophobicContact CD1-CE1 4.37Å; L278-A313 HydrophobicContact CD2-CB 3.92Å; L278-I317 HydrophobicContact CD2-CB 4.39Å; L278-I317 HydrophobicContact CD2-CD1 3.74Å; L278-I317 HydrophobicContact CD2-CG2 4.42Å
279F91.8Very high93.7Very high112 Ų11268.9 Ų68.949%0.49135%0.353SS..Hα-helixtrans-73.4-32.3178.4-69.8-58.7000112.1R275 S276 W277 H281 I282 I317R275-F279 HydrophobicContact CB-CD2 4.32Å; R275-F279 HydrophobicContact CB-CE2 4.13Å; R275-F279 HydrophobicContact CG-CE2 4.49Å; R275-F279 WeakPolarHBondContact O-CD2 3.43Å; R275-F279 PolarHBondContact O-N 2.87Å; S276-F279 PolarHBondContact O-N 3.43Å; W277-F279 PolarHBondContact O-N 3.3Å; F279-H281 VanDerWaalsContact C-N 3.3Å; F279-H281 PolarHBondContact O-N 2.84Å; F279-I282 HydrophobicContact CD1-CD1 4.32Å; F279-I317 HydrophobicContact CE1-CG2 4.11Å; F279-I317 HydrophobicContact CZ-CG2 4.31Å
280Q93.6Very high93.8Very high149 Ų14968.3 Ų68.370%0.69635%0.354SS*.Hα-helixtrans-66.5-32.3174.2-172.357.977.700112.4S276 W277S276-Q280 WeakPolarHBondContact O-CB 3.24Å; S276-Q280 PolarHBondContact O-N 3.47Å; W277-Q280 PolarHBondContact O-N 3.38Å
281H92.2Very high93.9Very high70 Ų7070.5 Ų70.532%0.32436%0.364SS..THydrogen-bonded Turntrans-111.233.4-178.4-59.893.3000112.9W277 L278 F279 G283 H284 P285W277-H281 AromaticContact CD1-CE1 3.84Å; W277-H281 AromaticContact CD1-ND1 3.8Å; W277-H281 AromaticContact CD2-ND1 3.49Å; W277-H281 AromaticContact CE2-CE1 3.64Å; W277-H281 AromaticContact CE2-CG 3.82Å; W277-H281 AromaticContact CE2-ND1 3.22Å; W277-H281 HydrophobicContact CE3-CB 4.25Å; W277-H281 AromaticContact CG-ND1 3.82Å; W277-H281 HydrophobicContact CH2-CB 3.61Å; W277-H281 AromaticContact CH2-CG 3.8Å; W277-H281 HydrophobicContact CZ2-CB 3.96Å; W277-H281 AromaticContact CZ2-CE1 3.99Å; W277-H281 AromaticContact CZ2-CG 3.59Å; W277-H281 AromaticContact CZ2-ND1 3.51Å; W277-H281 HydrophobicContact CZ3-CB 3.8Å; W277-H281 AromaticContact NE1-CE1 3.43Å; W277-H281 PolarHBondContact NE1-CE1 3.38Å; W277-H281 AromaticContact NE1-ND1 3.47Å; W277-H281 PolarHBondContact NE1-ND1 2.91Å; W277-H281 PolarHBondContact O-N 3.28Å; W277-H281 PolarHBondContact O-ND1 3.38Å; L278-H281 CarbonylContact O-C 3.47Å; L278-H281 PolarHBondContact O-N 3.04Å; F279-H281 VanDerWaalsContact C-N 3.3Å; F279-H281 PolarHBondContact O-N 2.84Å; H281-G283 PolarHBondContact O-N 3.35Å; H281-G283 VanDerWaalsContact O-N 3.14Å; H281-H284 CarbonylContact O-C 3.06Å; H281-H284 PolarHBondContact O-N 2.92Å; H281-P285 WeakPolarHBondContact O-CA 3.15Å
282I90Very high94Very high61 Ų6171.5 Ų71.531%0.31337%0.366SS..THydrogen-bonded Turntrans-62-27.2-171.8-161.2162.5000114.1L278 F279 L318 M321L278-I282 WeakPolarHBondContact O-CA 3.38Å; L278-I282 PolarHBondContact O-N 3.05Å; F279-I282 HydrophobicContact CD1-CD1 4.32Å; I282-L318 HydrophobicContact CD1-CD1 4.43Å; I282-L318 HydrophobicContact CG1-CD1 3.59Å; I282-L318 WeakPolarHBondContact O-CD1 3.21Å; I282-M321 HydrophobicContact CD1-CE 3.62Å; I282-M321 HydrophobicContact CD1-SD 3.7Å; I282-M321 HydrophobicContact CG1-CE 4.1Å
283G88.2Confident94.1Very high77 Ų7771.2 Ų71.279%0.79436%0.36SS*.THydrogen-bonded Turntrans-74.7-29.1174.500000114.2H281H281-G283 PolarHBondContact O-N 3.35Å; H281-G283 VanDerWaalsContact O-N 3.14Å
284H89.4Confident94.2Very high132 Ų13275.7 Ų75.761%0.61138%0.379SS*.SBendtrans-140.673.7175.8-170.1-99.8000110.9H281 Y286H281-H284 CarbonylContact O-C 3.06Å; H281-H284 PolarHBondContact O-N 2.92Å; H284-Y286 PolarHBondContact O-N 2.93Å
285P92.4Very high94.2Very high4 Ų475.9 Ų75.93%0.02638%0.381CS..  trans-81.748.5-170.930.2-31.5000112.6L278 H281 R314 L318L278-P285 HydrophobicContact CD1-CB 3.56Å; H281-P285 WeakPolarHBondContact O-CA 3.15Å; P285-R314 HydrophobicContact CB-CG 4.23Å; P285-R314 HydrophobicContact CG-CG 4.16Å; P285-R314 WeakPolarHBondContact O-CD 3.41Å; P285-R314 PolarHBondContact O-NH1 2.9Å; P285-L318 HydrophobicContact CG-CD1 4.22Å; P285-L318 HydrophobicContact CG-CD2 3.5Å; P285-L318 VanDerWaalsContact CG-CD2 3.5Å; P285-L318 HydrophobicContact CG-CG 4.42Å
286Y95.1Very high94.3Very high132 Ų13270.8 Ų70.852%0.51836%0.364SS..  trans-119.887.2179.7-68.9-109.6000107.5H284 T288H284-Y286 PolarHBondContact O-N 2.93Å; Y286-T288 PolarHBondContact O-N 3.25Å
287P94.7Very high94.4Very high9 Ų970.4 Ų70.46%0.05837%0.366CS..  trans-63.1137.6178.924-30.9000109.7W277 E291 K292 F310W277-P287 HydrophobicContact CD2-CB 4.45Å; W277-P287 HydrophobicContact CE3-CB 4.42Å; W277-P287 VanDerWaalsContact CH2-CA 3.43Å; W277-P287 HydrophobicContact CH2-CB 3.59Å; W277-P287 HydrophobicContact CH2-CG 4.07Å; W277-P287 VanDerWaalsContact CH2-N 3.3Å; W277-P287 VanDerWaalsContact CZ2-CA 3.5Å; W277-P287 HydrophobicContact CZ2-CB 3.54Å; W277-P287 HydrophobicContact CZ2-CG 4.48Å; W277-P287 HydrophobicContact CZ3-CB 4.02Å; W277-P287 HydrophobicContact CZ3-CG 4.1Å; P287-E291 HydrophobicContact CB-CB 4.03Å; P287-K292 HydrophobicContact CB-CG 4.01Å; P287-K292 HydrophobicContact CG-CG 3.86Å; P287-K292 WeakPolarHBondContact O-CE 3.4Å; P287-F310 HydrophobicContact CG-CD1 4.22Å; P287-F310 HydrophobicContact CG-CD2 3.87Å; P287-F310 HydrophobicContact CG-CE1 4.4Å; P287-F310 HydrophobicContact CG-CE2 4.04Å; P287-F310 HydrophobicContact CG-CG 3.97Å; P287-F310 HydrophobicContact CG-CZ 4.31Å
288T95.6Very high94.4Very high78 Ų7873.4 Ų73.448%0.47938%0.381SS..  trans-60.3165.7170.759.20000110.9Y286 D290 E291 K292Y286-T288 PolarHBondContact O-N 3.25Å; T288-D290 VanDerWaalsContact C-N 3.29Å; T288-D290 PolarHBondContact O-N 2.71Å; T288-E291 WeakPolarHBondContact CB-OE2 3.48Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.22Å; T288-E291 PolarHBondContact N-OE2 3.24Å; T288-E291 PolarHBondContact O-N 3.16Å; T288-E291 WeakPolarHBondContact OG1-CB 3.46Å; T288-E291 WeakPolarHBondContact OG1-CG 3.36Å; T288-E291 PolarHBondContact OG1-N 3.43Å; T288-E291 PolarHBondContact OG1-OE2 3.25Å; T288-K292 WeakPolarHBondContact O-CG 3.43Å; T288-K292 PolarHBondContact O-N 2.9Å
289E95.2Very high94.5Very high119 Ų11973.5 Ų73.556%0.55638%0.382SS*.Hα-helixtrans-62.1-39.4-179.1-161.2-177.691.200112.1K292 K293E289-K292 WeakPolarHBondContact O-CB 3.44Å; E289-K292 PolarHBondContact O-N 3.17Å; E289-K293 WeakPolarHBondContact O-CG 3.32Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 WeakPolarHBondContact OE1-CE 3.39Å; E289-K293 IonicContact OE1-NZ 2.83Å; E289-K293 PolarHBondContact OE1-NZ 3.48Å
290D96.3Very high94.7Very high105 Ų10575.2 Ų75.256%0.56140%0.396SS*.Hα-helixtrans-71.2-35.3179.4-58.9-64.2000113T288 K293 Q294T288-D290 VanDerWaalsContact C-N 3.29Å; T288-D290 PolarHBondContact O-N 2.71Å; D290-K293 PolarHBondContact O-N 3.45Å; D290-K293 IonicContact OD1-NZ 2.71Å; D290-K293 PolarHBondContact OD1-NZ 3.02Å; D290-Q294 WeakPolarHBondContact O-CB 3.46Å; D290-Q294 PolarHBondContact O-N 3.48Å
291E96.8Very high94.7Very high45 Ų4569 Ų6921%0.2137%0.368CS..Hα-helixtrans-63.2-41.3168.9-72.6172.611200111.9W277 P287 T288 K293 Q294 I295W277-E291 VanDerWaalsContact CE2-OE1 3.29Å; W277-E291 VanDerWaalsContact CZ2-OE1 3.29Å; W277-E291 WeakPolarHBondContact CZ2-OE1 3.31Å; W277-E291 PolarHBondContact NE1-OE1 3.48Å; P287-E291 HydrophobicContact CB-CB 4.03Å; T288-E291 WeakPolarHBondContact CB-OE2 3.48Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.22Å; T288-E291 PolarHBondContact N-OE2 3.24Å; T288-E291 PolarHBondContact O-N 3.16Å; T288-E291 WeakPolarHBondContact OG1-CB 3.46Å; T288-E291 WeakPolarHBondContact OG1-CG 3.36Å; T288-E291 PolarHBondContact OG1-N 3.43Å; T288-E291 PolarHBondContact OG1-OE2 3.25Å; E291-K293 VanDerWaalsContact C-N 3.34Å; E291-K293 PolarHBondContact O-N 2.96Å; E291-Q294 PolarHBondContact O-N 2.87Å; E291-I295 WeakPolarHBondContact O-CB 3.21Å; E291-I295 VanDerWaalsContact O-CG1 3.24Å; E291-I295 WeakPolarHBondContact O-CG1 3.3Å; E291-I295 PolarHBondContact O-N 3.05Å
292K96.9Very high94.9Very high48 Ų4868.7 Ų68.721%0.20937%0.371CS..Hα-helixtrans-62.6-40.4174.6-66.2176.9-165.5179.90111.4P287 T288 E289 A296 L303 V306 N307P287-K292 HydrophobicContact CB-CG 4.01Å; P287-K292 HydrophobicContact CG-CG 3.86Å; P287-K292 WeakPolarHBondContact O-CE 3.4Å; T288-K292 WeakPolarHBondContact O-CG 3.43Å; T288-K292 PolarHBondContact O-N 2.9Å; E289-K292 WeakPolarHBondContact O-CB 3.44Å; E289-K292 PolarHBondContact O-N 3.17Å; K292-A296 VanDerWaalsContact O-CB 3.3Å; K292-A296 WeakPolarHBondContact O-CB 3.24Å; K292-A296 PolarHBondContact O-N 3.35Å; K292-L303 HydrophobicContact CB-CD1 3.51Å; K292-V306 HydrophobicContact CB-CG1 4.46Å; K292-N307 PolarHBondContact NZ-OD1 2.92Å
293K97Very high95.1Very high90 Ų9069.4 Ų69.439%0.39138%0.375SS..Hα-helixtrans-62.8-44.9174-69.5168-167.1149.80111.4E289 D290 E291 A296 A297 L303E289-K293 WeakPolarHBondContact O-CG 3.32Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 WeakPolarHBondContact OE1-CE 3.39Å; E289-K293 IonicContact OE1-NZ 2.83Å; E289-K293 PolarHBondContact OE1-NZ 3.48Å; D290-K293 PolarHBondContact O-N 3.45Å; D290-K293 IonicContact OD1-NZ 2.71Å; D290-K293 PolarHBondContact OD1-NZ 3.02Å; E291-K293 VanDerWaalsContact C-N 3.34Å; E291-K293 PolarHBondContact O-N 2.96Å; K293-A296 WeakPolarHBondContact O-CB 3.48Å; K293-A296 PolarHBondContact O-N 3.48Å; K293-A297 WeakPolarHBondContact O-CB 3.11Å; K293-A297 PolarHBondContact O-N 3.21Å; K293-L303 HydrophobicContact CG-CD1 4.31Å
294Q97.1Very high95.4Very high120 Ų12070.5 Ų70.556%0.56136%0.362SS*.Hα-helixtrans-63.5-43.9178.2-168.9-177.326.800111.7D290 E291 A297 Q298D290-Q294 WeakPolarHBondContact O-CB 3.46Å; D290-Q294 PolarHBondContact O-N 3.48Å; E291-Q294 PolarHBondContact O-N 2.87Å; Q294-A297 PolarHBondContact O-N 3.48Å; Q294-Q298 WeakPolarHBondContact O-CB 3.42Å; Q294-Q298 WeakPolarHBondContact O-CG 3.5Å; Q294-Q298 PolarHBondContact O-N 3.43Å
295I96.8Very high95.6Very high5 Ų568 Ų683%0.02635%0.351CS..Hα-helixtrans-64-43.4175.2-69.3169000110.5M274 W277 E291 A297 Q298 T299 V306 F310M274-I295 HydrophobicContact CG-CG2 3.59Å; M274-I295 HydrophobicContact SD-CG2 4.36Å; W277-I295 HydrophobicContact CB-CD1 4.16Å; W277-I295 HydrophobicContact CD2-CD1 4.32Å; W277-I295 HydrophobicContact CG-CD1 3.86Å; E291-I295 WeakPolarHBondContact O-CB 3.21Å; E291-I295 VanDerWaalsContact O-CG1 3.24Å; E291-I295 WeakPolarHBondContact O-CG1 3.3Å; E291-I295 PolarHBondContact O-N 3.05Å; I295-A297 PolarHBondContact O-N 3.42Å; I295-Q298 PolarHBondContact O-N 3.33Å; I295-T299 HydrophobicContact CG2-CG2 4.13Å; I295-T299 VanDerWaalsContact O-CB 3.28Å; I295-T299 WeakPolarHBondContact O-CB 3.27Å; I295-T299 VanDerWaalsContact O-CG2 3.24Å; I295-T299 WeakPolarHBondContact O-CG2 3.28Å; I295-T299 PolarHBondContact O-N 3.48Å; I295-T299 PolarHBondContact O-OG1 3.38Å; I295-V306 HydrophobicContact CB-CG1 4.21Å; I295-V306 HydrophobicContact CG2-CG1 3.72Å; I295-V306 HydrophobicContact CG2-CG2 4.07Å; I295-F310 HydrophobicContact CD1-CE2 3.78Å; I295-F310 HydrophobicContact CD1-CZ 3.86Å
296A97.1Very high95.9Very high13 Ų1367.9 Ų67.911%0.10735%0.35CS..Hα-helixtrans-56.6-48.4175.500000111.6K292 K293 T299 N300 L301 V306K292-A296 VanDerWaalsContact O-CB 3.3Å; K292-A296 WeakPolarHBondContact O-CB 3.24Å; K292-A296 PolarHBondContact O-N 3.35Å; K293-A296 WeakPolarHBondContact O-CB 3.48Å; K293-A296 PolarHBondContact O-N 3.48Å; A296-T299 PolarHBondContact O-N 2.83Å; A296-N300 PolarHBondContact O-N 2.92Å; A296-L301 WeakPolarHBondContact CB-O 3.36Å; A296-L301 PolarHBondContact O-N 2.86Å; A296-V306 HydrophobicContact CB-CG2 4.01Å
297A96.5Very high95.9Very high74 Ų7464 Ų6461%0.61234%0.338SS*.Hα-helixtrans-62.6-45.217700000113.1K293 Q294 I295 T299K293-A297 WeakPolarHBondContact O-CB 3.11Å; K293-A297 PolarHBondContact O-N 3.21Å; Q294-A297 PolarHBondContact O-N 3.48Å; I295-A297 PolarHBondContact O-N 3.42Å; A297-T299 VanDerWaalsContact C-N 3.32Å; A297-T299 PolarHBondContact O-N 2.89Å
298Q96Very high95.9Very high95 Ų9566.9 Ų66.944%0.44435%0.353SS..Hα-helixtrans-65.5-35177.6-73.7178.110.400112.8Q294 I295Q294-Q298 WeakPolarHBondContact O-CB 3.42Å; Q294-Q298 WeakPolarHBondContact O-CG 3.5Å; Q294-Q298 PolarHBondContact O-N 3.43Å; I295-Q298 PolarHBondContact O-N 3.33Å
299T95.4Very high95.9Very high6 Ų664.8 Ų64.84%0.03734%0.336CS..Hα-helixtrans-95.8-7.3-171.261.80000114.5A270 V273 I295 A296 A297 L301A270-T299 HydrophobicContact CB-CG2 4Å; V273-T299 HydrophobicContact CB-CG2 3.7Å; V273-T299 HydrophobicContact CG1-CG2 3.82Å; V273-T299 HydrophobicContact CG2-CG2 4.14Å; I295-T299 HydrophobicContact CG2-CG2 4.13Å; I295-T299 VanDerWaalsContact O-CB 3.28Å; I295-T299 WeakPolarHBondContact O-CB 3.27Å; I295-T299 VanDerWaalsContact O-CG2 3.24Å; I295-T299 WeakPolarHBondContact O-CG2 3.28Å; I295-T299 PolarHBondContact O-N 3.48Å; I295-T299 PolarHBondContact O-OG1 3.38Å; A296-T299 PolarHBondContact O-N 2.83Å; A297-T299 VanDerWaalsContact C-N 3.32Å; A297-T299 PolarHBondContact O-N 2.89Å; T299-L301 PolarHBondContact O-N 3.08Å; T299-L301 WeakPolarHBondContact OG1-CG 3.34Å
300N95.6Very high96Very high148 Ų14859.3 Ų59.379%0.79131%0.31SS*.THydrogen-bonded Turntrans52.542.5-169.5-62.5-76.1000112.2A296A296-N300 PolarHBondContact O-N 2.92Å
301L94.9Very high95.8Very high18 Ų1857.3 Ų57.39%0.09430%0.299CS..  trans-113.2153.6174.7-64.1-175.6000110L266 A270 M274 A296 T299 Q305 V306L266-L301 HydrophobicContact CD2-CD1 3.91Å; L266-L301 HydrophobicContact CD2-CD2 3.57Å; L266-L301 HydrophobicContact CD2-CG 4.41Å; A270-L301 HydrophobicContact CB-CD1 3.85Å; A270-L301 HydrophobicContact CB-CG 4.13Å; M274-L301 HydrophobicContact CE-CD1 3.59Å; M274-L301 HydrophobicContact SD-CD1 4.14Å; A296-L301 WeakPolarHBondContact CB-O 3.36Å; A296-L301 PolarHBondContact O-N 2.86Å; T299-L301 PolarHBondContact O-N 3.08Å; T299-L301 WeakPolarHBondContact OG1-CG 3.34Å; L301-Q305 HydrophobicContact CB-CB 4.17Å; L301-V306 HydrophobicContact CB-CG2 3.91Å; L301-V306 HydrophobicContact CD1-CG2 4.35Å
302T95.1Very high95.7Very high64 Ų6459.3 Ų59.339%0.39331%0.311SS..  trans-69.5152.1171.472.40000110.7L304 Q305 V306T302-L304 PolarHBondContact O-N 3.4Å; T302-L304 VanDerWaalsContact O-N 3.16Å; T302-Q305 WeakPolarHBondContact O-CA 3.33Å; T302-Q305 WeakPolarHBondContact O-CB 3.37Å; T302-Q305 PolarHBondContact O-N 3.36Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.49Å; T302-Q305 PolarHBondContact OG1-N 3.25Å; T302-Q305 VanDerWaalsContact OG1-N 3.17Å; T302-V306 PolarHBondContact O-N 3.41Å
303L95.3Very high95.5Very high76 Ų7657.4 Ų57.440%0.39830%0.304SS..Hα-helixtrans-54.9-35.6176.5-172.365.4000111.8K292 K293 V306 N307K292-L303 HydrophobicContact CB-CD1 3.51Å; K293-L303 HydrophobicContact CG-CD1 4.31Å; L303-V306 PolarHBondContact O-N 3.01Å; L303-N307 VanDerWaalsContact O-CB 3.31Å; L303-N307 WeakPolarHBondContact O-CB 3.4Å; L303-N307 PolarHBondContact O-N 3.45Å
304L93.8Very high95.4Very high100 Ų10055.6 Ų55.652%0.52430%0.295SS..Hα-helixtrans-65.7-42.4174.2-179.359.8000112.6T302 N307 N308T302-L304 PolarHBondContact O-N 3.4Å; T302-L304 VanDerWaalsContact O-N 3.16Å; L304-N307 PolarHBondContact O-N 3.36Å; L304-N308 VanDerWaalsContact O-CB 3.24Å; L304-N308 WeakPolarHBondContact O-CB 3.41Å; L304-N308 PolarHBondContact O-N 3.45Å; L304-N308 PolarHBondContact O-ND2 2.97Å
305Q94.9Very high95.1Very high80 Ų8058 Ų5837%0.37430%0.299SS..Hα-helixtrans-62.3-42.9174.7-75.8169-20.500111.6L301 T302 W309L301-Q305 HydrophobicContact CB-CB 4.17Å; T302-Q305 WeakPolarHBondContact O-CA 3.33Å; T302-Q305 WeakPolarHBondContact O-CB 3.37Å; T302-Q305 PolarHBondContact O-N 3.36Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.49Å; T302-Q305 PolarHBondContact OG1-N 3.25Å; T302-Q305 VanDerWaalsContact OG1-N 3.17Å; Q305-W309 WeakPolarHBondContact O-CB 3.23Å; Q305-W309 PolarHBondContact O-N 3.22Å
306V96.8Very high94.9Very high0 Ų067.5 Ų67.50%033%0.334CS..Hα-helixtrans-63.6-47.8175.8175.70000110.9M274 K292 I295 A296 L301 T302 L303 N308 W309 F310M274-V306 HydrophobicContact SD-CG1 4.42Å; M274-V306 HydrophobicContact SD-CG2 4.36Å; K292-V306 HydrophobicContact CB-CG1 4.46Å; I295-V306 HydrophobicContact CB-CG1 4.21Å; I295-V306 HydrophobicContact CG2-CG1 3.72Å; I295-V306 HydrophobicContact CG2-CG2 4.07Å; A296-V306 HydrophobicContact CB-CG2 4.01Å; L301-V306 HydrophobicContact CB-CG2 3.91Å; L301-V306 HydrophobicContact CD1-CG2 4.35Å; T302-V306 PolarHBondContact O-N 3.41Å; L303-V306 PolarHBondContact O-N 3.01Å; V306-N308 PolarHBondContact O-N 2.65Å; V306-W309 WeakPolarHBondContact O-CB 3.34Å; V306-W309 PolarHBondContact O-N 3.31Å; V306-W309 VanDerWaalsContact O-N 3.17Å; V306-F310 HydrophobicContact CG1-CD2 3.8Å; V306-F310 HydrophobicContact CG1-CE2 3.79Å; V306-F310 WeakPolarHBondContact O-CD2 3.49Å; V306-F310 PolarHBondContact O-N 3.26Å
307N95.3Very high94.3Very high50 Ų5069.5 Ų69.527%0.26734%0.343SS..Hα-helixtrans-60.1-47.1178.2-168.962.2000111.7K292 L303 L304 W309 F310 I311K292-N307 PolarHBondContact NZ-OD1 2.92Å; L303-N307 VanDerWaalsContact O-CB 3.31Å; L303-N307 WeakPolarHBondContact O-CB 3.4Å; L303-N307 PolarHBondContact O-N 3.45Å; L304-N307 PolarHBondContact O-N 3.36Å; N307-W309 VanDerWaalsContact C-N 3.31Å; N307-W309 PolarHBondContact O-N 3.38Å; N307-F310 PolarHBondContact O-N 3.15Å; N307-I311 WeakPolarHBondContact O-CD1 3.32Å; N307-I311 VanDerWaalsContact O-CG1 3.3Å; N307-I311 WeakPolarHBondContact O-CG1 3.47Å; N307-I311 PolarHBondContact O-N 3.46Å
308N95.1Very high93.5Very high70 Ų7067.2 Ų67.237%0.37432%0.32SS..Hα-helixtrans-63-36.1175.4-73.9-23.5000112.3L304 V306 N312L304-N308 VanDerWaalsContact O-CB 3.24Å; L304-N308 WeakPolarHBondContact O-CB 3.41Å; L304-N308 PolarHBondContact O-N 3.45Å; L304-N308 PolarHBondContact O-ND2 2.97Å; V306-N308 PolarHBondContact O-N 2.65Å; N308-N312 WeakPolarHBondContact O-CB 3.48Å; N308-N312 PolarHBondContact O-N 3.23Å; N308-N312 VanDerWaalsContact O-N 3.11Å; N308-N312 PolarHBondContact O-ND2 3.42Å
309W96.3Very high92.5Very high35 Ų3567.4 Ų67.413%0.13332%0.321CS..Hα-helixtrans-63.2-48.6174.2-170.394.2000111L266 T271 M274 R275 L278 Q305 V306 N307 I311 N312 A313L266-W309 HydrophobicContact CD1-CG 4.4Å; T271-W309 HydrophobicContact CG2-CZ2 4.38Å; M274-W309 HydrophobicContact CB-CD2 3.84Å; M274-W309 HydrophobicContact CB-CE3 3.54Å; M274-W309 HydrophobicContact CB-CH2 3.74Å; M274-W309 HydrophobicContact CB-CZ2 4Å; M274-W309 HydrophobicContact CB-CZ3 3.5Å; M274-W309 HydrophobicContact CE-CB 4.13Å; M274-W309 HydrophobicContact CE-CD2 3.85Å; M274-W309 HydrophobicContact CE-CG 3.58Å; M274-W309 HydrophobicContact CG-CD2 4.38Å; M274-W309 HydrophobicContact CG-CE3 4.25Å; M274-W309 HydrophobicContact SD-CB 3.72Å; M274-W309 HydrophobicContact SD-CD2 3.68Å; M274-W309 HydrophobicContact SD-CE3 3.95Å; M274-W309 HydrophobicContact SD-CG 3.57Å; M274-W309 VanDerWaalsContact SD-CG 3.57Å; R275-W309 HydrophobicContact CB-CH2 4.46Å; R275-W309 HydrophobicContact CG-CH2 3.76Å; R275-W309 HydrophobicContact CG-CZ2 3.76Å; L278-W309 HydrophobicContact CB-CZ3 4.43Å; L278-W309 HydrophobicContact CD2-CH2 4.11Å; L278-W309 HydrophobicContact CD2-CZ3 4.21Å; Q305-W309 WeakPolarHBondContact O-CB 3.23Å; Q305-W309 PolarHBondContact O-N 3.22Å; V306-W309 WeakPolarHBondContact O-CB 3.34Å; V306-W309 PolarHBondContact O-N 3.31Å; V306-W309 VanDerWaalsContact O-N 3.17Å; N307-W309 VanDerWaalsContact C-N 3.31Å; N307-W309 PolarHBondContact O-N 3.38Å; W309-I311 PolarHBondContact O-N 2.95Å; W309-N312 PolarHBondContact O-N 3.09Å; W309-A313 HydrophobicContact CD2-CB 4.1Å; W309-A313 HydrophobicContact CE3-CB 3.63Å; W309-A313 HydrophobicContact CH2-CB 3.69Å; W309-A313 HydrophobicContact CZ2-CB 4.15Å; W309-A313 HydrophobicContact CZ3-CB 3.4Å; W309-A313 VanDerWaalsContact CZ3-CB 3.4Å; W309-A313 WeakPolarHBondContact O-CB 3.24Å; W309-A313 PolarHBondContact O-N 2.99Å
310F96.5Very high91.6Very high3 Ų370.1 Ų70.11%0.01334%0.339CS..Hα-helixtrans-63.6-40.9179.7-85.1-69.2000113.3M274 W277 L278 P287 I295 V306 N307 N312 A313 R314M274-F310 HydrophobicContact CB-CE2 4.48Å; M274-F310 HydrophobicContact CB-CZ 4.24Å; M274-F310 HydrophobicContact CG-CE2 4.31Å; W277-F310 HydrophobicContact CB-CZ 4.49Å; W277-F310 HydrophobicContact CD2-CE1 4.38Å; W277-F310 HydrophobicContact CD2-CZ 4.16Å; W277-F310 HydrophobicContact CE3-CD1 4.41Å; W277-F310 AromaticContact CE3-CE1 3.42Å; W277-F310 HydrophobicContact CE3-CE1 3.42Å; W277-F310 VanDerWaalsContact CE3-CE1 3.42Å; W277-F310 AromaticContact CE3-CZ 3.64Å; W277-F310 HydrophobicContact CE3-CZ 3.64Å; W277-F310 HydrophobicContact CZ3-CD1 4.47Å; W277-F310 AromaticContact CZ3-CE1 3.88Å; W277-F310 HydrophobicContact CZ3-CE1 3.88Å; W277-F310 HydrophobicContact CZ3-CZ 4.37Å; L278-F310 HydrophobicContact CB-CE1 4.21Å; L278-F310 HydrophobicContact CD1-CD1 4.39Å; L278-F310 HydrophobicContact CD1-CE1 4.37Å; P287-F310 HydrophobicContact CG-CD1 4.22Å; P287-F310 HydrophobicContact CG-CD2 3.87Å; P287-F310 HydrophobicContact CG-CE1 4.4Å; P287-F310 HydrophobicContact CG-CE2 4.04Å; P287-F310 HydrophobicContact CG-CG 3.97Å; P287-F310 HydrophobicContact CG-CZ 4.31Å; I295-F310 HydrophobicContact CD1-CE2 3.78Å; I295-F310 HydrophobicContact CD1-CZ 3.86Å; V306-F310 HydrophobicContact CG1-CD2 3.8Å; V306-F310 HydrophobicContact CG1-CE2 3.79Å; V306-F310 WeakPolarHBondContact O-CD2 3.49Å; V306-F310 PolarHBondContact O-N 3.26Å; N307-F310 PolarHBondContact O-N 3.15Å; F310-N312 VanDerWaalsContact C-N 3.35Å; F310-N312 PolarHBondContact O-N 2.96Å; F310-A313 PolarHBondContact O-N 3.49Å; F310-R314 WeakPolarHBondContact O-CG 3.28Å; F310-R314 PolarHBondContact O-N 3.07Å
311I92.9Very high90.3Very high64 Ų6468 Ų6833%0.32833%0.326SS..Hα-helixtrans-57.4-48.9173.7-68.1162.5000110.5N307 W309 R315N307-I311 WeakPolarHBondContact O-CD1 3.32Å; N307-I311 VanDerWaalsContact O-CG1 3.3Å; N307-I311 WeakPolarHBondContact O-CG1 3.47Å; N307-I311 PolarHBondContact O-N 3.46Å; W309-I311 PolarHBondContact O-N 2.95Å; I311-R315 WeakPolarHBondContact O-CG 3.5Å; I311-R315 PolarHBondContact O-N 3.44Å
312N94.3Very high89Confident87 Ų8771.7 Ų71.747%0.46535%0.345SS..Hα-helixtrans-71-36179.8-76.3-63.7000113N308 W309 F310 R315 R316N308-N312 WeakPolarHBondContact O-CB 3.48Å; N308-N312 PolarHBondContact O-N 3.23Å; N308-N312 VanDerWaalsContact O-N 3.11Å; N308-N312 PolarHBondContact O-ND2 3.42Å; W309-N312 PolarHBondContact O-N 3.09Å; F310-N312 VanDerWaalsContact C-N 3.35Å; F310-N312 PolarHBondContact O-N 2.96Å; N312-R315 PolarHBondContact O-N 3.45Å; N312-R316 WeakPolarHBondContact O-CB 3.33Å; N312-R316 VanDerWaalsContact O-CG 3.32Å; N312-R316 WeakPolarHBondContact O-CG 3.43Å; N312-R316 PolarHBondContact O-N 3.48Å
313A93.9Very high87.9Confident7 Ų773.2 Ų73.26%0.05835%0.35CS..Hα-helixtrans-67.9-44-179.500000111.4L278 W309 F310 R315 R316 I317L278-A313 HydrophobicContact CD2-CB 3.92Å; W309-A313 HydrophobicContact CD2-CB 4.1Å; W309-A313 HydrophobicContact CE3-CB 3.63Å; W309-A313 HydrophobicContact CH2-CB 3.69Å; W309-A313 HydrophobicContact CZ2-CB 4.15Å; W309-A313 HydrophobicContact CZ3-CB 3.4Å; W309-A313 VanDerWaalsContact CZ3-CB 3.4Å; W309-A313 WeakPolarHBondContact O-CB 3.24Å; W309-A313 PolarHBondContact O-N 2.99Å; F310-A313 PolarHBondContact O-N 3.49Å; A313-R315 PolarHBondContact O-N 3.14Å; A313-R316 PolarHBondContact O-N 3.19Å; A313-I317 HydrophobicContact CB-CD1 4.22Å; A313-I317 VanDerWaalsContact O-CB 3.24Å; A313-I317 WeakPolarHBondContact O-CB 3.48Å; A313-I317 WeakPolarHBondContact O-CG1 3.34Å; A313-I317 PolarHBondContact O-N 3.41Å
314R93.8Very high86.5Confident52 Ų5273.5 Ų73.520%0.19636%0.359CS..Iπ-helixtrans-55.9-49.9171.8-74.9-168.4-68.2-13517.8111.7P285 F310 R316 L318 Q319P285-R314 HydrophobicContact CB-CG 4.23Å; P285-R314 HydrophobicContact CG-CG 4.16Å; P285-R314 WeakPolarHBondContact O-CD 3.41Å; P285-R314 PolarHBondContact O-NH1 2.9Å; F310-R314 WeakPolarHBondContact O-CG 3.28Å; F310-R314 PolarHBondContact O-N 3.07Å; R314-R316 VanDerWaalsContact C-N 3.28Å; R314-R316 PolarHBondContact O-N 3.09Å; R314-L318 WeakPolarHBondContact O-CA 3.47Å; R314-L318 VanDerWaalsContact O-CB 3.23Å; R314-L318 WeakPolarHBondContact O-CB 3.47Å; R314-L318 PolarHBondContact O-N 3.29Å; R314-Q319 PolarHBondContact O-N 3.47Å; R314-Q319 VanDerWaalsContact O-N 3.12Å
315R91.2Very high84.9Confident171 Ų17173 Ų7365%0.64536%0.364SS*.Iπ-helixtrans-64.9-27.7-179.7-66.8-17873.1-179.35.3114I311 N312 A313I311-R315 WeakPolarHBondContact O-CG 3.5Å; I311-R315 PolarHBondContact O-N 3.44Å; N312-R315 PolarHBondContact O-N 3.45Å; A313-R315 PolarHBondContact O-N 3.14Å
316R91.5Very high82.6Confident204 Ų20474.9 Ų74.977%0.7738%0.384SS*.Iπ-helixtrans-102.4-21-175.5-68.8-174.166.1-168-0.5115.7N312 A313 R314N312-R316 WeakPolarHBondContact O-CB 3.33Å; N312-R316 VanDerWaalsContact O-CG 3.32Å; N312-R316 WeakPolarHBondContact O-CG 3.43Å; N312-R316 PolarHBondContact O-N 3.48Å; A313-R316 PolarHBondContact O-N 3.19Å; R314-R316 VanDerWaalsContact C-N 3.28Å; R314-R316 PolarHBondContact O-N 3.09Å
317I86Confident80.2Confident55 Ų5578.7 Ų78.728%0.28241%0.411SS..Iπ-helixtrans-113.8-46.4-175.9-56.3175.1000109.9L278 F279 A313L278-I317 HydrophobicContact CD2-CB 4.39Å; L278-I317 HydrophobicContact CD2-CD1 3.74Å; L278-I317 HydrophobicContact CD2-CG2 4.42Å; F279-I317 HydrophobicContact CE1-CG2 4.11Å; F279-I317 HydrophobicContact CZ-CG2 4.31Å; A313-I317 HydrophobicContact CB-CD1 4.22Å; A313-I317 VanDerWaalsContact O-CB 3.24Å; A313-I317 WeakPolarHBondContact O-CB 3.48Å; A313-I317 WeakPolarHBondContact O-CG1 3.34Å; A313-I317 PolarHBondContact O-N 3.41Å
318L78.9Confident77.6Confident27 Ų2785.2 Ų85.214%0.14144%0.44CS..Iπ-helixtrans-82.4-47.4-172.9-164.681.9000112.7I282 P285 R314 M321 L322I282-L318 HydrophobicContact CD1-CD1 4.43Å; I282-L318 HydrophobicContact CG1-CD1 3.59Å; I282-L318 WeakPolarHBondContact O-CD1 3.21Å; P285-L318 HydrophobicContact CG-CD1 4.22Å; P285-L318 HydrophobicContact CG-CD2 3.5Å; P285-L318 VanDerWaalsContact CG-CD2 3.5Å; P285-L318 HydrophobicContact CG-CG 4.42Å; R314-L318 WeakPolarHBondContact O-CA 3.47Å; R314-L318 VanDerWaalsContact O-CB 3.23Å; R314-L318 WeakPolarHBondContact O-CB 3.47Å; R314-L318 PolarHBondContact O-N 3.29Å; L318-M321 WeakPolarHBondContact O-CA 3.3Å; L318-M321 VanDerWaalsContact O-CB 3.32Å; L318-M321 WeakPolarHBondContact O-CB 3.29Å; L318-M321 PolarHBondContact O-N 3.09Å; L318-L322 HydrophobicContact CD1-CD1 4.19Å; L318-L322 HydrophobicContact CD2-CD1 4.02Å; L318-L322 HydrophobicContact CG-CD1 3.59Å; L318-L322 WeakPolarHBondContact O-CD1 3.25Å; L318-L322 PolarHBondContact O-N 2.96Å; L318-L322 VanDerWaalsContact O-N 3.09Å
319Q76.1Confident75.2Confident98 Ų9888 Ų8846%0.45846%0.46SS..Hα-helixtrans-54.5-48.8179.8-79.9-150.3-86.600113.1R314 M321 L322 D323R314-Q319 PolarHBondContact O-N 3.47Å; R314-Q319 VanDerWaalsContact O-N 3.12Å; Q319-M321 PolarHBondContact O-N 2.71Å; Q319-L322 PolarHBondContact O-N 3.39Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; Q319-D323 WeakPolarHBondContact O-CB 3.48Å; Q319-D323 PolarHBondContact O-N 3.44Å
320P75.4Confident72.4Confident64 Ų6492.2 Ų92.242%0.41649%0.491SS..Hα-helixtrans-57.6-26.3175.5-26.135.7000114.4S324P320-S324 WeakPolarHBondContact O-CB 3.3Å; P320-S324 PolarHBondContact O-N 3.48Å; P320-S324 PolarHBondContact O-OG 3.42Å
321M68.2Low69.9Low103 Ų103101.3 Ų101.351%0.50753%0.531SS..Hα-helixtrans-76.5-43.8177.3-154.5178.494.500111.7I282 L318 Q319 S325I282-M321 HydrophobicContact CD1-CE 3.62Å; I282-M321 HydrophobicContact CD1-SD 3.7Å; I282-M321 HydrophobicContact CG1-CE 4.1Å; L318-M321 WeakPolarHBondContact O-CA 3.3Å; L318-M321 VanDerWaalsContact O-CB 3.32Å; L318-M321 WeakPolarHBondContact O-CB 3.29Å; L318-M321 PolarHBondContact O-N 3.09Å; Q319-M321 PolarHBondContact O-N 2.71Å; M321-S325 PolarHBondContact O-N 3.32Å; M321-S325 PolarHBondContact O-OG 3.33Å
322L68.5Low67.5Low95 Ų95104.7 Ų104.750%0.49756%0.555SS.*Hα-helixtrans-67.2-44.8174.4-81.286000111.7L318 Q319 S324 S325 C326L318-L322 HydrophobicContact CD1-CD1 4.19Å; L318-L322 HydrophobicContact CD2-CD1 4.02Å; L318-L322 HydrophobicContact CG-CD1 3.59Å; L318-L322 WeakPolarHBondContact O-CD1 3.25Å; L318-L322 PolarHBondContact O-N 2.96Å; L318-L322 VanDerWaalsContact O-N 3.09Å; Q319-L322 PolarHBondContact O-N 3.39Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; L322-S324 PolarHBondContact O-N 3.45Å; L322-S325 WeakPolarHBondContact CA-OG 3.44Å; L322-S325 PolarHBondContact O-N 3.41Å; L322-S325 VanDerWaalsContact O-N 3.08Å; L322-S325 PolarHBondContact O-OG 3Å; L322-C326 PolarHBondContact O-N 3.05Å
323D70.3Confident65.1Low96 Ų96110.6 Ų110.651%0.51358%0.576SS.*Hα-helixtrans-59.8-37.3179.5-62.5-25.7000111.1Q319Q319-D323 WeakPolarHBondContact O-CB 3.48Å; Q319-D323 PolarHBondContact O-N 3.44Å
324S66Low62.7Low83 Ų83120 Ų12058%0.5862%0.616SS**Hα-helixtrans-66.1-42174.9-62.10000112.2P320 L322 C326 S327P320-S324 WeakPolarHBondContact O-CB 3.3Å; P320-S324 PolarHBondContact O-N 3.48Å; P320-S324 PolarHBondContact O-OG 3.42Å; L322-S324 PolarHBondContact O-N 3.45Å; S324-C326 VanDerWaalsContact C-N 3.29Å; S324-C326 PolarHBondContact O-N 3.43Å; S324-S327 PolarHBondContact O-OG 3.02Å
325S60.4Low60.2Low90 Ų90127.2 Ų127.263%0.62965%0.649SS**Hα-helixtrans-71.9-13.6-178.554.70000115.4M321 L322M321-S325 PolarHBondContact O-N 3.32Å; M321-S325 PolarHBondContact O-OG 3.33Å; L322-S325 WeakPolarHBondContact CA-OG 3.44Å; L322-S325 PolarHBondContact O-N 3.41Å; L322-S325 VanDerWaalsContact O-N 3.08Å; L322-S325 PolarHBondContact O-OG 3Å
326C48.4Very low57.9Low118 Ų118124.5 Ų124.580%0.79765%0.651SS**THydrogen-bonded Turntrans-9910.6-179-148.10000113.6L322 S324L322-C326 PolarHBondContact O-N 3.05Å; S324-C326 VanDerWaalsContact C-N 3.29Å; S324-C326 PolarHBondContact O-N 3.43Å
327S45.4Very low55.4Low80 Ų80120 Ų12056%0.55966%0.658SS**  trans-111.934.9-16868.90000115.7S324 T329S324-S327 PolarHBondContact O-OG 3.02Å; S327-T329 VanDerWaalsContact C-N 3.28Å; S327-T329 PolarHBondContact O-N 3.1Å
328E40Very low53.6Low188 Ų188125.1 Ų125.188%0.87968%0.68SS**  trans-80.464.6175.7-62.4-151.3127.100113.6
329T44.8Very low51.9Low129 Ų129131 Ų13179%0.79171%0.712SS**  trans-132.5113.5158.349.40000111.4S327S327-T329 VanDerWaalsContact C-N 3.28Å; S327-T329 PolarHBondContact O-N 3.1Å
330P39.2Very low50.2Low122 Ų122137.5 Ų137.579%0.79273%0.732SS**  trans-90.5110.7-176.832.5-31.7000111.6
331K42.8Very low48.7Very low195 Ų195139.8 Ų139.885%0.84875%0.748SS**  trans-162131.5152.3-105136.9-167.6177.70115.9
332T42.9Very low47.6Very low135 Ų135141.4 Ų141.483%0.82876%0.763SS**  trans65.9111.515353.30000120.7
333K43Very low46.3Very low211 Ų211145 Ų14592%0.91778%0.777SS**  trans-51.5132.1165.4-61.1166.3176.11710113.1
334K43.3Very low45.1Very low204 Ų204150.2 Ų150.289%0.88779%0.79SS**  trans-148.7120.5137.7-163.9168.3-178.4177.50111.1
335K42.9Very low44.3Very low203 Ų203156.1 Ų156.188%0.88381%0.805SS**  trans-72129169.7-74.2178.8171.3-178.20109.3
336T42.1Very low43.4Very low114 Ų114161 Ų16170%0.69981%0.81SS**  trans-161.1120.8134-94.10000108Q338T336-Q338 HydrophobicContact CG2-CB 3.83Å
337A39.1Very low43.6Very low110 Ų110159.6 Ų159.691%0.90980%0.8SS**  trans-91.6108.9166.500000107.4
338Q48.6Very low43.7Very low162 Ų162162.5 Ų162.576%0.75781%0.809SS**  trans-141.191174.2-168.5166.3-12.300111T336 R340T336-Q338 HydrophobicContact CG2-CB 3.83Å; Q338-R340 PolarHBondContact O-N 3.34Å
339N42.4Very low44.2Very low151 Ų151158.8 Ų158.881%0.80780%0.804SS**  trans1396.5139.4-159.112000115.7
340R40.7Very low44.7Very low234 Ų234159.8 Ų159.888%0.88380%0.803SS**  trans-85.3123.6161-84.9-164.9-178.7-156.92.3108.9Q338Q338-R340 PolarHBondContact O-N 3.34Å
341P44.9Very low45.1Very low113 Ų113158 Ų15873%0.73480%0.798SS**  trans-62.5146.6166.8-15.229.1000110Q343P341-Q343 PolarHBondContact O-N 3.36Å
342V44.1Very low45Very low137 Ų137153.9 Ų153.983%0.8379%0.794SS**  trans-64.3107.2169.31730000108.3R344V342-R344 PolarHBondContact O-N 2.91Å
343Q40.7Very low44.8Very low171 Ų171150.6 Ų150.680%0.79979%0.787SS**  trans-64114.4166.7-104.2-115.2-52.200108.3P341P341-Q343 PolarHBondContact O-N 3.36Å
344R46.4Very low44.7Very low205 Ų205147.8 Ų147.877%0.77479%0.787SS**  trans-75.7125.2171.7-102.7178.7169.1179.7-4.7108.3V342 W346V342-R344 PolarHBondContact O-N 2.91Å; R344-W346 PolarHBondContact O-N 3.04Å
345F47.5Very low44.5Very low206 Ų206142.7 Ų142.790%0.90478%0.783SS**  trans-7143.7-178.8-91.6-102.1000114.2
346W43.4Very low44.5Very low192 Ų192141.9 Ų141.973%0.72778%0.782SS**  trans-107.8118.2171.9-64.898.4000108.7R344R344-W346 PolarHBondContact O-N 3.04Å
347P50.9Low44.5Very low90 Ų90141.3 Ų141.358%0.58478%0.78SS**  trans-67.5136.6173.927.3-32.7000110.5S349P347-S349 PolarHBondContact O-N 2.84Å
348D48.4Very low44.8Very low141 Ų141141.5 Ų141.575%0.75477%0.772SS**G310 helixtrans-59.5-12.3-177.3-88.7-81000114.9I350 A351D348-I350 PolarHBondContact O-N 2.92Å; D348-A351 PolarHBondContact O-N 2.9Å; D348-A351 VanDerWaalsContact O-N 3.1Å
349S51.1Low44.4Very low110 Ų110139.8 Ų139.877%0.76978%0.776SS**G310 helixtrans-62.4-8.1-172.8-51.30000116.3P347P347-S349 PolarHBondContact O-N 2.84Å
350I53.6Low44.3Very low150 Ų150138 Ų13877%0.76978%0.775SS**G310 helixtrans-96.4-15.4178.5-54.5179.3000111.9D348D348-I350 PolarHBondContact O-N 2.92Å
351A47.8Very low43.9Very low84 Ų84134.9 Ų134.969%0.69477%0.77SS**SBendtrans-92.7-8.2-174.800000115D348D348-A351 PolarHBondContact O-N 2.9Å; D348-A351 VanDerWaalsContact O-N 3.1Å
352S41.4Very low43.4Very low109 Ų109136.6 Ų136.676%0.76277%0.772SS**  trans-120.564.8-172.9-60.50000113.3
353G38.1Very low43Very low66 Ų66136.1 Ų136.168%0.6877%0.77SS**  trans-88135.3157.500000110.6
354V40.6Very low42.9Very low151 Ų151136 Ų13692%0.91577%0.772SS**SBendtrans91.2122.5179.1-173.40000116.1
355A40.2Very low42.9Very low98 Ų98131 Ų13181%0.8177%0.768SS**  trans81.793.6167.100000120.1
356Q42.5Very low42.4Very low185 Ų185130.2 Ų130.286%0.86477%0.767SS**  trans-74.3-173.6156.7-123.6-167-23.200111.5
357P42.6Very low42.1Very low102 Ų102124.7 Ų124.766%0.66277%0.77SS**  cis-135.4-153.1-16.835.3-12.4000112.3
358P44.8Very low41.4Very low114 Ų114125 Ų12574%0.7478%0.78SS**  -115.7177.2-62.632.3-14.4000113
359P39.6Very low40.9Very low127 Ų127125.3 Ų125.383%0.82579%0.787SS**  trans-101.8166.4-165.439.1-35.5000116.5
360S40.6Very low40.1Very low114 Ų114125.9 Ų125.980%0.79779%0.785SS**  trans-117.3119.3170.2-650000112.5
361E31.9Very low39.1Very low167 Ų167124.2 Ų124.278%0.7878%0.782SS**  52.3107.4127.8-115.6-17712800120.4
362L35.8Very low38.5Very low149 Ų149127.7 Ų127.778%0.7879%0.787SS**  162.4151.6101.5-85.2171.4000114.7
363T35.2Very low38.3Very low128 Ų128127.3 Ų127.379%0.78578%0.781SS**  trans71.7122.4149-166.50000123.6
364M38.4Very low38.4Very low169 Ų169130.4 Ų130.483%0.83379%0.787SS**  trans-33.5165.8154-47.4-65-17300115.7
365S46.3Very low38.3Very low98 Ų98128.4 Ų128.469%0.68578%0.777SS**  cis-159.8176.633.8-46.40000114.2
366E38.2Very low38Very low190 Ų190130 Ų13089%0.88878%0.777SS**  trans9.8145.9155.4-78.2141.677.400121.4
367G35.8Very low37.5Very low76 Ų76128 Ų12878%0.78477%0.771SS**  cis117.1772100000110.9
368A37.3Very low37.5Very low98 Ų98131.3 Ų131.381%0.8178%0.78SS**  trans-146.4103.2177.800000111.8
369V36.7Very low37.1Very low147 Ų147132.1 Ų132.189%0.89178%0.778SS**  trans-85133.1164.8-104.70000109.1
370V35.5Very low37.1Very low121 Ų121132.2 Ų132.273%0.73378%0.776SS**  trans-123.2101.7173.2-177.50000109.1I372V370-I372 HydrophobicContact CG1-CG1 4.08Å
371T31.8Very low37.2Very low116 Ų116132.9 Ų132.971%0.71277%0.771SS**  trans-73.6124165.7-59.30000108.8T373T371-T373 HydrophobicContact CG2-CG2 4.14Å
372I35.7Very low37.6Very low156 Ų156130 Ų13080%0.877%0.769SS**  trans-113.5117.8163.5-60.7-176.3000107.8V370V370-I372 HydrophobicContact CG1-CG1 4.08Å
373T36.4Very low37.8Very low102 Ų102131.1 Ų131.163%0.62678%0.775SS**  trans-102151.5-178.620.70000111.4T371T371-T373 HydrophobicContact CG2-CG2 4.14Å
374T40Very low38.1Very low130 Ų130133.5 Ų133.580%0.79878%0.777SS**  trans75.7159.7153.174.60000116.8
375P39.1Very low38Very low110 Ų110130.5 Ų130.571%0.71477%0.773SS**  -140.6-157.3-97.529.5-2000113.4
376V34Very low37.6Very low132 Ų132134.2 Ų134.280%0.878%0.784SS**  trans74.2107.6160.9-168.60000116.8
377N32.9Very low37.5Very low141 Ų141129.7 Ų129.775%0.75477%0.774SS**  -175.2113.799.6-170.324.1000109.9
378M40.8Very low38.1Very low172 Ų172131.3 Ų131.385%0.84777%0.773SS**  trans-109.2102.2178.5-56.5-166.9-163.300109.3V380M378-V380 HydrophobicContact CB-CG1 4.5Å; M378-V380 PolarHBondContact O-N 3.25Å
379N37.1Very low38.8Very low131 Ų131132.4 Ų132.470%0.70177%0.765SS**  trans-82106.6177.3-172.258000110.2
380V39.9Very low39.7Very low129 Ų129127.3 Ų127.378%0.78274%0.742SS**  trans-10445.7-169.5-69.10000113.5M378M378-V380 HydrophobicContact CB-CG1 4.5Å; M378-V380 PolarHBondContact O-N 3.25Å
381D42.3Very low40.7Very low128 Ų128123.6 Ų123.668%0.68473%0.725SS**  trans-118.214.9-173-99.2-69.1000115
382S40.2Very low41.9Very low107 Ų107121.7 Ų121.775%0.74871%0.713SS**SBendtrans-124.616.4-171.4-156.80000115.8
383L39.5Very low43Very low173 Ų173118.3 Ų118.391%0.90670%0.696SS**  trans-115.129.2-178-66.1-179.9000114.3
384Q41.9Very low43.9Very low178 Ų178116.2 Ų116.283%0.83269%0.689SS**  trans-98.320.2179.7-74.3-169.6-16.400114.8
385S36.3Very low44.8Very low106 Ų106113.2 Ų113.274%0.74167%0.67SS**SBendtrans-142.832.5-165.6-51.60000117.2
386L38.8Very low46Very low176 Ų176113.6 Ų113.692%0.92166%0.662SS**  trans-146.480.5162.2-71.8-179.4000111.1
387S35.8Very low47.2Very low95 Ų95113.9 Ų113.966%0.66466%0.655SS**  trans-73.2124.9165.9-173.90000109.4D389S387-D389 PolarHBondContact OG-OD2 3.34Å
388S49.4Very low48.5Very low110 Ų110111 Ų11177%0.76964%0.643SS**  trans-9992.1168.5-174.10000108.6G390S388-G390 PolarHBondContact O-N 3.47Å; S388-G390 VanDerWaalsContact O-N 3.14Å
389D51.6Low49.3Very low120 Ų120106.9 Ų106.964%0.64262%0.622SS**  trans-71.798.1-167.5-112-103000113.3S387 L393S387-D389 PolarHBondContact OG-OD2 3.34Å; D389-L393 WeakPolarHBondContact OD1-CD1 3.48Å
390G55.2Low50.2Low40 Ų40108.2 Ų108.241%0.41263%0.626SS.*SBendtrans-176.2-66.4174.300000114S388 L393 A394S388-G390 PolarHBondContact O-N 3.47Å; S388-G390 VanDerWaalsContact O-N 3.14Å; G390-L393 PolarHBondContact O-N 3.21Å; G390-A394 PolarHBondContact O-N 3.48Å
391A55.6Low50.8Low44 Ų44106.3 Ų106.336%0.36462%0.624SS.*Hα-helixtrans-70.9-34-175.400000113.3V395A391-V395 PolarHBondContact O-N 3.38Å
392T57.9Low51Low76 Ų76103.4 Ų103.447%0.46662%0.624SS.*Hα-helixtrans-66.8-37.5174.543.70000112.2V395 Q396T392-V395 PolarHBondContact O-N 3.28Å; T392-Q396 WeakPolarHBondContact O-CB 3.42Å; T392-Q396 PolarHBondContact O-N 3.06Å
393L58.1Low51.1Low85 Ų85106.6 Ų106.645%0.44563%0.627SS.*Hα-helixtrans-62.8-45.1176.7-100.4168000111.8D389 G390 V395 Q396 Q397D389-L393 WeakPolarHBondContact OD1-CD1 3.48Å; G390-L393 PolarHBondContact O-N 3.21Å; L393-V395 VanDerWaalsContact C-N 3.33Å; L393-V395 PolarHBondContact O-N 3.41Å; L393-Q396 PolarHBondContact O-N 3.25Å; L393-Q397 WeakPolarHBondContact O-CB 3.49Å; L393-Q397 PolarHBondContact O-N 3.09Å
394A56.8Low51.1Low58 Ų58104.2 Ų104.248%0.47963%0.625SS.*Hα-helixtrans-58-44.8178.100000112.3G390 Q397 V398G390-A394 PolarHBondContact O-N 3.48Å; A394-Q397 PolarHBondContact O-N 3.24Å; A394-V398 WeakPolarHBondContact O-CG2 3.43Å; A394-V398 PolarHBondContact O-N 3.08Å
395V58.6Low51Low66 Ų66104.8 Ų104.840%0.463%0.628SS.*Hα-helixtrans-64.5-47.1176.6175.60000111.1A391 T392 L393 Q397 M399A391-V395 PolarHBondContact O-N 3.38Å; T392-V395 PolarHBondContact O-N 3.28Å; L393-V395 VanDerWaalsContact C-N 3.33Å; L393-V395 PolarHBondContact O-N 3.41Å; V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 3.28Å; V395-M399 HydrophobicContact CG1-CE 3.34Å; V395-M399 HydrophobicContact CG1-SD 4.03Å; V395-M399 VanDerWaalsContact O-CG 3.24Å; V395-M399 WeakPolarHBondContact O-CG 3.27Å; V395-M399 PolarHBondContact O-N 2.76Å
396Q62.5Low51.3Low118 Ų118107.5 Ų107.555%0.55163%0.634SS**Hα-helixtrans-63.7-34178.9-163.982.775.600112.9T392 L393 M399 M400T392-Q396 WeakPolarHBondContact O-CB 3.42Å; T392-Q396 PolarHBondContact O-N 3.06Å; L393-Q396 PolarHBondContact O-N 3.25Å; Q396-M399 PolarHBondContact O-N 3.32Å; Q396-M400 PolarHBondContact O-N 2.9Å
397Q61.1Low51.6Low138 Ų138108.5 Ų108.565%0.64563%0.634SS**Hα-helixtrans-80.8-32.1-173.9-165.8160.525.600112.5L393 A394 V395 M399L393-Q397 WeakPolarHBondContact O-CB 3.49Å; L393-Q397 PolarHBondContact O-N 3.09Å; A394-Q397 PolarHBondContact O-N 3.24Å; V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 3.28Å; Q397-M399 VanDerWaalsContact C-N 3.32Å
398V59.5Low52Low82 Ų82108.1 Ų108.150%0.49763%0.631SS.*Hα-helixtrans-64.3-38.2166.9170.30000111A394 M400 A401A394-V398 WeakPolarHBondContact O-CG2 3.43Å; A394-V398 PolarHBondContact O-N 3.08Å; V398-M400 VanDerWaalsContact C-N 3.28Å; V398-M400 PolarHBondContact O-N 3.22Å; V398-A401 PolarHBondContact O-N 3.41Å
399M57.4Low51.7Low85 Ų85109.6 Ų109.642%0.41964%0.635SS.*Hα-helixtrans-69.1-18.7-177.6-70.1169.1-178.100115F108 V395 Q396 Q397F108-M399 HydrophobicContact CE2-CE 3.6Å; F108-M399 HydrophobicContact CE2-SD 4.38Å; F108-M399 HydrophobicContact CZ-CE 3.88Å; V395-M399 HydrophobicContact CG1-CE 3.34Å; V395-M399 HydrophobicContact CG1-SD 4.03Å; V395-M399 VanDerWaalsContact O-CG 3.24Å; V395-M399 WeakPolarHBondContact O-CG 3.27Å; V395-M399 PolarHBondContact O-N 2.76Å; Q396-M399 PolarHBondContact O-N 3.32Å; Q397-M399 VanDerWaalsContact C-N 3.32Å
400M55.2Low51.5Low159 Ų159111.4 Ų111.478%0.78365%0.645SS**THydrogen-bonded Turntrans-96.5-11.3179.5-72.7-89.6-162.500113.7Q396 V398Q396-M400 PolarHBondContact O-N 2.9Å; V398-M400 VanDerWaalsContact C-N 3.28Å; V398-M400 PolarHBondContact O-N 3.22Å
401A53.4Low50.9Low89 Ų89113.6 Ų113.674%0.73665%0.654SS**SBendtrans-97.6-1.3-171.800000114.4V398V398-A401 PolarHBondContact O-N 3.41Å
402G46.9Very low50.3Low67 Ų67117.3 Ų117.369%0.69167%0.672SS**SBendtrans-106.119.5-168.900000116.6
403Q41.9Very low49.8Very low174 Ų174121.5 Ų121.581%0.81369%0.686SS**SBendtrans-133.7135.3179.7-68.3-173.8-200112.6
404S40.3Very low49.5Very low122 Ų122126.3 Ų126.385%0.85371%0.707SS**  trans67.270175.460.40000118.1
405E39.4Very low49Very low190 Ų190131.3 Ų131.389%0.88873%0.726SS**  trans-106.9153.7138.7-64.1-173.5117.600108.1
406D42.5Very low48.7Very low163 Ų163132.6 Ų132.687%0.87274%0.743SS**  trans66.2104.4177.9-84.5-75.6000120.5
407E45.6Very low47.7Very low198 Ų198130.4 Ų130.493%0.92575%0.752SS**  -155.1156.2120.3-133.9-173.890.800112.6
408S42.5Very low46.9Very low87 Ų87128.2 Ų128.261%0.60876%0.757SS**  trans-89149.2-146.9570000120
409V43.1Very low46.1Very low140 Ų140133 Ų13385%0.84878%0.779SS**  trans42.4124.1140.4-50.20000122.6
410D47.4Very low45.6Very low158 Ų158133.3 Ų133.385%0.84580%0.795SS**  -158.3-178.1118.3-162.612.8000110.1
411S42.4Very low44.9Very low86 Ų86131.6 Ų131.660%0.60180%0.796SS**  trans-108.9177.8-140.1-51.50000116.3
412T44.1Very low44.3Very low123 Ų123131.8 Ų131.876%0.75580%0.797SS**  trans68.1142.6161480000118.5
413E46.4Very low44Very low163 Ų163136.2 Ų136.276%0.76280%0.8SS**  cis-169.2161.1-23.2-129.3169.5178.500107.5
414E53.2Low44.1Very low187 Ų187134 Ų13487%0.87479%0.792SS**  trans61.3125.2166-55.1179.7137.300117.3
415D46.7Very low44.2Very low163 Ų163133.7 Ų133.787%0.87279%0.79SS**  -164.7177.853.1-175.528.6000111.6
416A50.5Low44.1Very low93 Ų93128 Ų12877%0.76978%0.782SS**  trans-92.1168.2-155.500000118.2
417G42.3Very low44Very low71 Ų71129 Ų12973%0.73279%0.787SS**  trans132.959.5163.500000115.5
418A43.5Very low43.8Very low92 Ų92125.6 Ų125.676%0.7678%0.779SS**  55.891.884.600000116.2
419L43.7Very low43.9Very low183 Ų183128.3 Ų128.396%0.95879%0.786SS**  173.4152.1107.5-89.2165.3000112.7
420A45.6Very low44Very low91 Ų91129.1 Ų129.175%0.75278%0.781SS**  trans-99.7161.5-160.100000115.5
421P41.5Very low43.6Very low124 Ų124129.3 Ų129.381%0.80578%0.782SS**  trans-93.4161.3172.538.1-34.9000112.9
422A41.3Very low44.1Very low92 Ų92130.9 Ų130.976%0.7679%0.793SS**  trans174.1158.9144.600000114.8
423H40.7Very low44.2Very low160 Ų160132.3 Ų132.374%0.74180%0.796SS**  trans90.788.9142.8-96.5-132.6000123.1
424I44.5Very low44.7Very low128 Ų128129.4 Ų129.466%0.65679%0.793SS**  50.9152.1120.572.3176.3000123.8
425S42.1Very low44.6Very low115 Ų115128.1 Ų128.180%0.80479%0.792SS**  trans81.8119170.5-35.60000113.9
426G36.4Very low44.8Very low71 Ų71133 Ų13373%0.73281%0.81SS**  cis111.997.110.300000110.4
427L40.9Very low44.5Very low184 Ų184135.1 Ų135.196%0.96381%0.812SS**  trans-142.8141.8166.9-79.9-176.5000111.5
428V41.8Very low44.7Very low127 Ų127138.4 Ų138.477%0.7782%0.816SS**  trans-97.1142.7177.8165.60000108.2
429L42.9Very low44.7Very low143 Ų143141 Ų14175%0.74982%0.819SS**  173.8148129.3-93.3158.6000114.6
430E45.4Very low44.8Very low158 Ų158138.5 Ų138.574%0.73881%0.811SS**  trans69.6102.4149.3-76.7165.8111.900122.1
431N39.5Very low44.7Very low161 Ų161141.5 Ų141.586%0.86181%0.814SS**  trans-54.9144.9139.4-68.6-13.2000110.6
432S52.4Low44.9Very low120 Ų120142.7 Ų142.784%0.83982%0.815SS**  trans-149.4141.5146.6-86.20000111.5
433D47.6Very low45.2Very low152 Ų152146.3 Ų146.381%0.81382%0.819SS**  trans-87141.4-172.5-175.2-71.5000111.3
434S55.5Low45.6Very low102 Ų102145.2 Ų145.271%0.71383%0.825SS**  trans-172.5134.4151-90.10000114.6
435L51Low45.6Very low161 Ų161146.7 Ų146.784%0.84384%0.839SS**  trans68.5102150.8-62.9163.1000118.2
436Q52.4Low46Very low266 Ų266149.5 Ų149.5100%1.24384%0.842SS**  -154.8089-155.3161.219.200112.8

Retrieved 436 of 436 residues in 385.8 ms (Link to these results)