A0A023T4L8_ARATH Loading...

Floricaula/leafy-like transcription factor

Probable transcription factor.

AlphaFold DB (Q00958), UniProt , Accession A0A023T4L8, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene LFY, Length 420 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.7Very low46.8Very low234 Ų234154.5 Ų154.5100%1.15387%0.868SS**  0105.10-79.6-71.8140.600105.6
2D49.5Very low46.5Very low149 Ų149160.8 Ų160.880%0.79787%0.868SS**  trans-70.4156.9-143-66.7-78.1000118.7
3P53.6Low46.1Very low116 Ų116168.2 Ų168.275%0.75388%0.875SS**  trans-114.7123.416335.6-20.4000112.4
4E48.8Very low46.1Very low202 Ų202165.4 Ų165.494%0.94486%0.862SS**  trans-156.6145.7162.6-66.4-157.4152.400108
5G45Very low45.7Very low64 Ų64161.9 Ų161.966%0.6685%0.854SS**  cis177.7143.22.800000106.5
6F48.6Very low45.2Very low221 Ų221159.6 Ų159.697%0.96985%0.848SS**  trans-141.7106.8163.9-112.5-85.7000108.6
7T46.7Very low44.8Very low137 Ų137163.5 Ų163.584%0.8485%0.849SS**  trans-85.2143.1-175.446.20000112.3
8S38.4Very low44.7Very low113 Ų113159.8 Ų159.879%0.7985%0.846SS**  trans-54.3132.8-179.6-45.20000115.7
9G46.7Very low44.4Very low78 Ų78159.8 Ų159.880%0.80485%0.845SS**  trans-95.7101.4166.400000111.7
10L46.5Very low44.6Very low164 Ų164158.7 Ų158.786%0.85985%0.845SS**  trans-76.9116.2171.2-80.8154.2000110.5R12L10-R12 PolarHBondContact O-N 3.42Å
11F42.3Very low44.5Very low222 Ų222160 Ų16097%0.97485%0.846SS**  trans-69.2111.1168.4-100.3-97.1000110.2
12R43.5Very low44.2Very low230 Ų230153.5 Ų153.587%0.86883%0.83SS**  trans-116108.2171.7-170.1-179.5-166.1173.34.8108.7L10L10-R12 PolarHBondContact O-N 3.42Å
13W40.9Very low44.8Very low256 Ų256152 Ų15297%0.9783%0.828SS**  trans-73.3126.5174.2-143.3-30.7000109
14N45.8Very low44.9Very low129 Ų129151.7 Ų151.769%0.6983%0.826SS**  trans-130.1116.4175.3-159.6-8.9000108.7
15P40.7Very low45.1Very low113 Ų113148.4 Ų148.473%0.73482%0.822SS**  trans-99.686.4-178.335.7-25.5000109.1
16T37Very low46.1Very low125 Ų125151.8 Ų151.877%0.76783%0.83SS**  trans-155.8135.8160.7-31.40000110.2
17R39.3Very low46.4Very low227 Ų227146.4 Ų146.486%0.85782%0.817SS**  trans102.780.3161.7-148.3175.4-166.5168.72.7115.8
18A42.4Very low46.8Very low97 Ų97145.7 Ų145.780%0.80282%0.815SS**  trans-125.9111.3145.800000108.1
19L39Very low47.9Very low159 Ų159146.4 Ų146.483%0.83282%0.817SS**  trans-69.4117.3166.8-91114.5000108.6
20V48.5Very low47.8Very low137 Ų137150.7 Ų150.783%0.8382%0.82SS**  trans-144.8140.6158.1-177.70000109.1
21Q42.9Very low47.4Very low186 Ų186152 Ų15287%0.86982%0.822SS**PPolyproline II helixtrans-56.7151.3-162.6-73.4157-64.700117.6
22A42.7Very low47.4Very low99 Ų99150.5 Ų150.582%0.81882%0.818SS**PPolyproline II helixtrans-84.9138.5173.900000112.9
23P61Low47.4Very low116 Ų116148.1 Ų148.175%0.75382%0.817SS**PPolyproline II helixtrans-91161.8164.434.1-28.9000112.3
24P56.9Low47.2Very low111 Ų111141.9 Ų141.972%0.72181%0.809SS**PPolyproline II helixtrans-78.3165.6-164.333.2-35.8000114.1
25P52.6Low47.1Very low132 Ų132142.1 Ų142.186%0.85782%0.815SS**PPolyproline II helixtrans-78.4136.7-171.932.3-32.8000112.2
26V66.3Low46.9Very low136 Ų136141.4 Ų141.482%0.82481%0.809SS**PPolyproline II helixtrans-93.3137.3178.5-153.80000108.9
27P55.4Low47.3Very low108 Ų108140.9 Ų140.970%0.70181%0.807SS**PPolyproline II helixtrans-72.8160.3-17330.4-37.1000113.3
28P55.1Low47.1Very low122 Ų122136.7 Ų136.779%0.79280%0.798SS**PPolyproline II helixtrans-77.8141.2-170.731.9-33.6000111.9
29P60.2Low46.9Very low128 Ų128136.6 Ų136.683%0.83179%0.787SS**PPolyproline II helixtrans-82.1149.8171.532.6-30000111.4
30L43.9Very low47Very low167 Ų167133.2 Ų133.287%0.87478%0.782SS**PPolyproline II helixtrans-58.8148.9-172.7-73.2154.9000114.5Q32L30-Q32 PolarHBondContact O-N 3.42Å
31Q38.6Very low46.5Very low192 Ų192129.9 Ų129.990%0.89777%0.769SS**  trans-41.5113.8173.4-69.8163.8-22.600113.6
32Q43.7Very low46.1Very low191 Ų191126.5 Ų126.589%0.89375%0.751SS**  trans-135.6144.5152-72.4-175.1-14.900109.1L30L30-Q32 PolarHBondContact O-N 3.42Å
33Q42.6Very low46.2Very low179 Ų179123 Ų12384%0.83673%0.726SS**  trans-48.3152.5-154.7-66.4174.4-36.300118.1V35Q33-V35 PolarHBondContact O-N 3.42Å
34P37.4Very low45.4Very low126 Ų126125.6 Ų125.682%0.81873%0.73SS**  trans-76.899.1-175.231.9-31.8000111
35V43.3Very low45.4Very low133 Ų133130.4 Ų130.481%0.80673%0.734SS**  trans-80.5115.9152.8-81.20000107.7Q33Q33-V35 PolarHBondContact O-N 3.42Å
36T36.7Very low45.8Very low98 Ų98125.4 Ų125.460%0.60170%0.699SS**  trans-48.6120.4-172420000113.5Q38T36-Q38 PolarHBondContact O-N 3.45Å; T36-Q38 VanDerWaalsContact O-N 3.07Å
37P44.4Very low45.7Very low114 Ų114120.7 Ų120.774%0.7468%0.678SS**THydrogen-bonded Turntrans-72.26.1177.3-15.629.2000115
38Q36.4Very low46.8Very low140 Ų140117.1 Ų117.165%0.65466%0.661SS**Hα-helixtrans-79.6-35.5-173.7-63.2-173.920.100111.3T36 A40 A41 F42T36-Q38 PolarHBondContact O-N 3.45Å; T36-Q38 VanDerWaalsContact O-N 3.07Å; Q38-A40 PolarHBondContact O-N 3.04Å; Q38-A41 PolarHBondContact O-N 3.18Å; Q38-F42 VanDerWaalsContact O-CD2 3.29Å; Q38-F42 WeakPolarHBondContact O-CD2 3.47Å; Q38-F42 PolarHBondContact O-N 3.32Å
39T37.9Very low48.3Very low94 Ų94111.3 Ų111.358%0.57762%0.623SS**Hα-helixtrans-69.5-31.1-173.5-23.10000113.6F42 G43T39-F42 PolarHBondContact O-N 3.45Å; T39-G43 PolarHBondContact O-N 3.41Å
40A39.8Very low49.3Very low88 Ų88108.4 Ų108.473%0.72760%0.599SS**Hα-helixtrans-73.7-28.617900000113.3Q38Q38-A40 PolarHBondContact O-N 3.04Å
41A39.9Very low51.3Low67 Ų67103.5 Ų103.555%0.55459%0.589SS**Hα-helixtrans-80.9-24.9176.600000112.7Q38Q38-A41 PolarHBondContact O-N 3.18Å
42F34.4Very low53.7Low115 Ų11595 Ų9550%0.50455%0.549SS..Hα-helixtrans-73.5-34.1176-90.7-81000113Q38 T39 M44 R45Q38-F42 VanDerWaalsContact O-CD2 3.29Å; Q38-F42 WeakPolarHBondContact O-CD2 3.47Å; Q38-F42 PolarHBondContact O-N 3.32Å; T39-F42 PolarHBondContact O-N 3.45Å; F42-M44 PolarHBondContact O-N 2.98Å; F42-M44 VanDerWaalsContact O-N 3.09Å; F42-R45 PolarHBondContact O-N 3.41Å
43G43Very low56Low27 Ų2786 Ų8628%0.27851%0.507SS..THydrogen-bonded Turntrans-58.6-25.3178.600000114.7T39 G48T39-G43 PolarHBondContact O-N 3.41Å; G43-G48 PolarHBondContact O-N 3.32Å
44M46Very low58.2Low170 Ų17080.4 Ų80.484%0.83750%0.497SS*.THydrogen-bonded Turntrans-74.9-26.4173.5-82-125.8-76.400113.8F42 L46F42-M44 PolarHBondContact O-N 2.98Å; F42-M44 VanDerWaalsContact O-N 3.09Å; M44-L46 PolarHBondContact O-N 2.91Å
45R55.6Low60.6Low212 Ų21279.1 Ų79.180%0.849%0.489SS*.THydrogen-bonded Turntrans-76.1-23.7-173.8-78.4-169.8169.8-127.70.2114.1F42F42-R45 PolarHBondContact O-N 3.41Å
46L62Low63Low26 Ų2676.4 Ų76.414%0.13647%0.465CS..THydrogen-bonded Turntrans-109.224.2179.3-62.4-179.9000112.6M44 G48 L49 E50 F60 A64 A67M44-L46 PolarHBondContact O-N 2.91Å; L46-G48 PolarHBondContact O-N 3.15Å; L46-G48 VanDerWaalsContact O-N 3.16Å; L46-L49 VanDerWaalsContact O-CB 3.26Å; L46-L49 WeakPolarHBondContact O-CB 3.48Å; L46-L49 WeakPolarHBondContact O-CG 3.27Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-E50 HydrophobicContact CD1-CB 4.44Å; L46-F60 HydrophobicContact CD1-CE2 3.78Å; L46-F60 HydrophobicContact CD1-CZ 4.07Å; L46-A64 HydrophobicContact CD2-CB 4.29Å; L46-A67 HydrophobicContact CB-CB 4.35Å; L46-A67 HydrophobicContact CD2-CB 3.91Å
47G63.5Low65.5Low37 Ų3774.8 Ų74.838%0.38147%0.467SS..THydrogen-bonded Turntrans58.532.3176.500000114.1L49 A73G47-L49 VanDerWaalsContact C-N 3.26Å; G47-L49 PolarHBondContact O-N 2.93Å; G47-A73 PolarHBondContact O-N 3.03Å
48G78.6Confident67.7Low33 Ų3370.2 Ų70.234%0.3444%0.436SS..THydrogen-bonded Turntrans76.21.1-177.200000115.6G43 L46 E50 G51 L52G43-G48 PolarHBondContact O-N 3.32Å; L46-G48 PolarHBondContact O-N 3.15Å; L46-G48 VanDerWaalsContact O-N 3.16Å; G48-E50 VanDerWaalsContact C-N 3.3Å; G48-E50 PolarHBondContact O-N 3.41Å; G48-G51 PolarHBondContact O-N 2.92Å; G48-L52 PolarHBondContact O-N 2.87Å
49L85.6Confident70.3Confident0 Ų068.4 Ų68.40%042%0.424CS..Hα-helixtrans-66.6-29.6-177.3-69.1170.9000113.5L46 G47 G51 L52 F53 I66 A67 F71 L76L46-L49 VanDerWaalsContact O-CB 3.26Å; L46-L49 WeakPolarHBondContact O-CB 3.48Å; L46-L49 WeakPolarHBondContact O-CG 3.27Å; L46-L49 PolarHBondContact O-N 3.47Å; G47-L49 VanDerWaalsContact C-N 3.26Å; G47-L49 PolarHBondContact O-N 2.93Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.47Å; L49-L52 HydrophobicContact CD2-CD2 4.2Å; L49-L52 PolarHBondContact O-N 2.9Å; L49-F53 HydrophobicContact CB-CD2 4.12Å; L49-F53 HydrophobicContact CB-CE2 4.22Å; L49-F53 HydrophobicContact CD2-CD2 4.4Å; L49-F53 HydrophobicContact CD2-CE2 3.77Å; L49-F53 HydrophobicContact CD2-CZ 4.09Å; L49-F53 HydrophobicContact CG-CE2 4.43Å; L49-F53 WeakPolarHBondContact O-CB 3.37Å; L49-F53 WeakPolarHBondContact O-CG 3.41Å; L49-F53 PolarHBondContact O-N 3.17Å; L49-I66 HydrophobicContact CD1-CB 4.27Å; L49-I66 HydrophobicContact CD1-CG2 3.88Å; L49-I66 HydrophobicContact CD2-CG2 4.46Å; L49-A67 HydrophobicContact CD1-CB 3.67Å; L49-F71 WeakPolarHBondContact CD1-O 3.49Å; L49-L76 HydrophobicContact CD2-CD1 3.39Å; L49-L76 HydrophobicContact CD2-CG 4.39Å
50E83.3Confident72.7Confident68 Ų6870.4 Ų70.432%0.31842%0.424SS..Hα-helixtrans-61-41.6177.8-172174.2-164.500111.6L46 G48 G54L46-E50 HydrophobicContact CD1-CB 4.44Å; G48-E50 VanDerWaalsContact C-N 3.3Å; G48-E50 PolarHBondContact O-N 3.41Å; E50-G54 PolarHBondContact O-N 2.95Å
51G84.4Confident75Confident64 Ų6472.9 Ų72.966%0.6642%0.416SS*.Hα-helixtrans-69.5-39.2175.600000112.8G48 L49G48-G51 PolarHBondContact O-N 2.92Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.47Å
52L88.7Confident77.3Confident12 Ų1269.8 Ų69.86%0.06339%0.39CS..Hα-helixtrans-64.4-41.8178.5-17961.8000112G48 L49 Y56 A73 L76 A110 E114G48-L52 PolarHBondContact O-N 2.87Å; L49-L52 HydrophobicContact CD2-CD2 4.2Å; L49-L52 PolarHBondContact O-N 2.9Å; L52-Y56 VanDerWaalsContact O-CD2 3.25Å; L52-Y56 WeakPolarHBondContact O-CD2 3.29Å; L52-A73 HydrophobicContact CD2-CB 4.24Å; L52-L76 HydrophobicContact CD2-CD1 3.99Å; L52-A110 HydrophobicContact CD1-CB 4.2Å; L52-A110 HydrophobicContact CG-CB 4.14Å; L52-A110 WeakPolarHBondContact O-CB 3.4Å; L52-E114 HydrophobicContact CD1-CB 3.47Å; L52-E114 VanDerWaalsContact CD1-CB 3.47Å; L52-E114 HydrophobicContact CD1-CG 3.85Å
53F93.5Very high80Confident3 Ų364.5 Ų64.51%0.01337%0.368CS..Hα-helixtrans-98.5-18.3-168.8-69.2-27.3000115.2L49 Y56 I58 A63 I66 L76 I107 A110L49-F53 HydrophobicContact CB-CD2 4.12Å; L49-F53 HydrophobicContact CB-CE2 4.22Å; L49-F53 HydrophobicContact CD2-CD2 4.4Å; L49-F53 HydrophobicContact CD2-CE2 3.77Å; L49-F53 HydrophobicContact CD2-CZ 4.09Å; L49-F53 HydrophobicContact CG-CE2 4.43Å; L49-F53 WeakPolarHBondContact O-CB 3.37Å; L49-F53 WeakPolarHBondContact O-CG 3.41Å; L49-F53 PolarHBondContact O-N 3.17Å; F53-Y56 PolarHBondContact O-N 3.21Å; F53-I58 HydrophobicContact CB-CB 4.04Å; F53-I58 HydrophobicContact CB-CD1 3.58Å; F53-I58 HydrophobicContact CB-CG1 4.42Å; F53-I58 HydrophobicContact CB-CG2 4.33Å; F53-I58 HydrophobicContact CD1-CD1 3.12Å; F53-I58 HydrophobicContact CD2-CD1 4.21Å; F53-I58 HydrophobicContact CD2-CG2 4.29Å; F53-I58 HydrophobicContact CE1-CD1 3.74Å; F53-I58 HydrophobicContact CG-CB 4.4Å; F53-I58 HydrophobicContact CG-CD1 3.38Å; F53-I58 HydrophobicContact CG-CG2 4.34Å; F53-I58 HydrophobicContact CZ-CD1 4.47Å; F53-A63 HydrophobicContact CD2-CB 3.74Å; F53-A63 HydrophobicContact CE2-CB 4.44Å; F53-I66 HydrophobicContact CE2-CD1 3.77Å; F53-I66 HydrophobicContact CE2-CG2 4.38Å; F53-I66 HydrophobicContact CZ-CD1 4.02Å; F53-L76 HydrophobicContact CE1-CD1 4.16Å; F53-L76 HydrophobicContact CE2-CD1 4.27Å; F53-L76 HydrophobicContact CZ-CD1 3.48Å; F53-L76 VanDerWaalsContact CZ-CD1 3.48Å; F53-I107 HydrophobicContact CE1-CB 4.46Å; F53-I107 HydrophobicContact CE1-CG1 4.25Å; F53-I107 HydrophobicContact CE1-CG2 4.24Å; F53-I107 HydrophobicContact CZ-CG1 4.31Å; F53-I107 HydrophobicContact CZ-CG2 4.34Å; F53-A110 HydrophobicContact CD1-CB 3.73Å; F53-A110 HydrophobicContact CE1-CB 4.08Å
54G87.3Confident82.2Confident61 Ų6164.3 Ų64.363%0.62936%0.363SS*.G310 helixtrans-46.1-49.9-17800000115.2E50 Y56E50-G54 PolarHBondContact O-N 2.95Å; G54-Y56 VanDerWaalsContact C-N 3.32Å; G54-Y56 PolarHBondContact O-N 3.48Å
55P89.4Confident84.2Confident100 Ų10058.9 Ų58.965%0.64934%0.335SS*.G310 helixtrans-83.20.4-177.327.2-26.4000114.8
56Y92.7Very high85.8Confident76 Ų7648.8 Ų48.830%0.29830%0.297SS..G310 helixtrans-109.413.1-170.8-65.7-81.7000114.9L52 F53 G54 I58 G106 A109 A110 A113L52-Y56 VanDerWaalsContact O-CD2 3.25Å; L52-Y56 WeakPolarHBondContact O-CD2 3.29Å; F53-Y56 PolarHBondContact O-N 3.21Å; G54-Y56 VanDerWaalsContact C-N 3.32Å; G54-Y56 PolarHBondContact O-N 3.48Å; Y56-I58 VanDerWaalsContact C-N 3.31Å; Y56-I58 PolarHBondContact O-N 2.95Å; Y56-G106 WeakPolarHBondContact CB-O 3.48Å; Y56-G106 WeakPolarHBondContact O-CA 3.37Å; Y56-A109 HydrophobicContact CD1-CB 3.59Å; Y56-A109 HydrophobicContact CE1-CB 3.81Å; Y56-A110 HydrophobicContact CD1-CB 4.26Å; Y56-A110 HydrophobicContact CD2-CB 3.34Å; Y56-A110 VanDerWaalsContact CE2-CA 3.46Å; Y56-A110 HydrophobicContact CE2-CB 3.76Å; Y56-A110 HydrophobicContact CG-CB 3.64Å; Y56-A113 HydrophobicContact CE1-CB 4.42Å; Y56-A113 WeakPolarHBondContact OH-CB 3.48Å
57G89.4Confident87.2Confident63 Ų6348.7 Ų48.765%0.64930%0.3SS*.THydrogen-bonded Turntrans71.323.3173.800000114.6
58I91.1Very high88.3Confident18 Ų1853.4 Ų53.49%0.09231%0.312CS..  trans-88.9128.3178.7-61.3156.9000108.5F53 Y56 T62 I107F53-I58 HydrophobicContact CB-CB 4.04Å; F53-I58 HydrophobicContact CB-CD1 3.58Å; F53-I58 HydrophobicContact CB-CG1 4.42Å; F53-I58 HydrophobicContact CB-CG2 4.33Å; F53-I58 HydrophobicContact CD1-CD1 3.12Å; F53-I58 HydrophobicContact CD2-CD1 4.21Å; F53-I58 HydrophobicContact CD2-CG2 4.29Å; F53-I58 HydrophobicContact CE1-CD1 3.74Å; F53-I58 HydrophobicContact CG-CB 4.4Å; F53-I58 HydrophobicContact CG-CD1 3.38Å; F53-I58 HydrophobicContact CG-CG2 4.34Å; F53-I58 HydrophobicContact CZ-CD1 4.47Å; Y56-I58 VanDerWaalsContact C-N 3.31Å; Y56-I58 PolarHBondContact O-N 2.95Å; I58-T62 HydrophobicContact CG2-CG2 3.91Å; I58-I107 HydrophobicContact CD1-CB 4.38Å; I58-I107 HydrophobicContact CD1-CG1 3.66Å; I58-I107 HydrophobicContact CG1-CG1 4.07Å
59R90Very high88.8Confident103 Ų10355 Ų5539%0.38931%0.312SS..  trans-63.4144.2179.4-65.9174.9-66.8168.5-4.5110Y61 T62 A63 E98 E103R59-Y61 PolarHBondContact O-N 3.27Å; R59-Y61 VanDerWaalsContact O-N 3.16Å; R59-T62 WeakPolarHBondContact O-CA 3.46Å; R59-T62 WeakPolarHBondContact O-CB 3.41Å; R59-T62 PolarHBondContact O-N 3.48Å; R59-A63 PolarHBondContact O-N 3.31Å; R59-A63 VanDerWaalsContact O-N 3.09Å; R59-E98 PolarHBondContact NH2-O 3.35Å; R59-E103 VanDerWaalsContact CB-OE1 3.27Å; R59-E103 WeakPolarHBondContact CB-OE1 3.45Å; R59-E103 VanDerWaalsContact CG-OE1 3.25Å; R59-E103 WeakPolarHBondContact CG-OE1 3.5Å; R59-E103 IonicContact CZ-OE1 2.72Å; R59-E103 IonicContact CZ-OE2 2.79Å; R59-E103 PolarHBondContact N-OE1 3.05Å; R59-E103 IonicContact NE-OE1 3.28Å; R59-E103 PolarHBondContact NE-OE1 3.43Å; R59-E103 IonicContact NE-OE2 3.43Å; R59-E103 PolarHBondContact NE-OE2 3.35Å; R59-E103 IonicContact NH2-OE1 3.88Å; R59-E103 IonicContact NH2-OE2 3.49Å; R59-E103 PolarHBondContact NH2-OE2 3.01Å
60F88.6Confident89.1Confident135 Ų13557.7 Ų57.759%0.59234%0.34SS*.Hα-helixtrans-51.1-41.6174.9-179.8-94.3000112.4L46 T62 A63 A64L46-F60 HydrophobicContact CD1-CE2 3.78Å; L46-F60 HydrophobicContact CD1-CZ 4.07Å; F60-T62 VanDerWaalsContact C-N 3.31Å; F60-T62 PolarHBondContact O-N 3.39Å; F60-A63 PolarHBondContact O-N 3.46Å; F60-A64 WeakPolarHBondContact O-CB 3.28Å; F60-A64 PolarHBondContact O-N 2.91Å
61Y88.3Confident89.5Confident140 Ų14056.7 Ų56.755%0.54934%0.335SS..Hα-helixtrans-61-38.1178-172.1-128.9000112.7R59 K65 W97R59-Y61 PolarHBondContact O-N 3.27Å; R59-Y61 VanDerWaalsContact O-N 3.16Å; Y61-K65 PolarHBondContact O-N 2.83Å; Y61-K65 VanDerWaalsContact O-N 3.12Å; Y61-W97 AromaticContact CD1-CH2 3Å; Y61-W97 HydrophobicContact CD1-CH2 3Å; Y61-W97 AromaticContact CD1-CZ2 3.12Å; Y61-W97 HydrophobicContact CD1-CZ2 3.12Å; Y61-W97 AromaticContact CD1-CZ3 3.94Å; Y61-W97 HydrophobicContact CD1-CZ3 3.94Å; Y61-W97 AromaticContact CD2-CH2 3.82Å; Y61-W97 HydrophobicContact CD2-CH2 3.82Å; Y61-W97 HydrophobicContact CD2-CZ2 4.49Å; Y61-W97 HydrophobicContact CE1-CE3 4.21Å; Y61-W97 AromaticContact CE1-CH2 2.78Å; Y61-W97 HydrophobicContact CE1-CH2 2.78Å; Y61-W97 AromaticContact CE1-CZ2 3.35Å; Y61-W97 HydrophobicContact CE1-CZ2 3.35Å; Y61-W97 AromaticContact CE1-CZ3 3.23Å; Y61-W97 HydrophobicContact CE1-CZ3 3.23Å; Y61-W97 AromaticContact CE2-CH2 3.63Å; Y61-W97 HydrophobicContact CE2-CH2 3.63Å; Y61-W97 HydrophobicContact CE2-CZ3 4.14Å; Y61-W97 AromaticContact CG-CH2 3.51Å; Y61-W97 HydrophobicContact CG-CH2 3.51Å; Y61-W97 AromaticContact CG-CZ2 3.75Å; Y61-W97 HydrophobicContact CG-CZ2 3.75Å; Y61-W97 AromaticContact CZ-CH2 3.09Å; Y61-W97 AromaticContact CZ-CZ3 3.3Å; Y61-W97 VanDerWaalsContact OH-CZ3 3.3Å; Y61-W97 WeakPolarHBondContact OH-CZ3 3.41Å
62T89Confident89.8Confident2 Ų255.9 Ų55.91%0.01232%0.317CS..Hα-helixtrans-67.8-46.6176.2-55.40000110.9I58 R59 F60 A64 K65 I66 L99 E103I58-T62 HydrophobicContact CG2-CG2 3.91Å; R59-T62 WeakPolarHBondContact O-CA 3.46Å; R59-T62 WeakPolarHBondContact O-CB 3.41Å; R59-T62 PolarHBondContact O-N 3.48Å; F60-T62 VanDerWaalsContact C-N 3.31Å; F60-T62 PolarHBondContact O-N 3.39Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 2.95Å; T62-K65 PolarHBondContact O-N 3.42Å; T62-I66 HydrophobicContact CG2-CD1 4.15Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 3.39Å; T62-I66 VanDerWaalsContact O-N 3.07Å; T62-L99 HydrophobicContact CG2-CD2 3.43Å; T62-L99 VanDerWaalsContact CG2-CD2 3.43Å; T62-E103 PolarHBondContact OG1-OE1 2.95Å
63A90.4Very high90Very high4 Ų456.4 Ų56.43%0.03332%0.323CS..Hα-helixtrans-60.4-43176.200000112.1F53 R59 F60 K65 I66 A67F53-A63 HydrophobicContact CD2-CB 3.74Å; F53-A63 HydrophobicContact CE2-CB 4.44Å; R59-A63 PolarHBondContact O-N 3.31Å; R59-A63 VanDerWaalsContact O-N 3.09Å; F60-A63 PolarHBondContact O-N 3.46Å; A63-K65 PolarHBondContact O-N 2.94Å; A63-I66 PolarHBondContact O-N 3.46Å; A63-A67 PolarHBondContact O-N 2.99Å
64A88.9Confident89.8Confident23 Ų2360.8 Ų60.819%0.1935%0.354CS..Hα-helixtrans-62.7-38.8177.800000112.6L46 F60 T62 A67 E68L46-A64 HydrophobicContact CD2-CB 4.29Å; F60-A64 WeakPolarHBondContact O-CB 3.28Å; F60-A64 PolarHBondContact O-N 2.91Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 2.95Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.11Å; A64-E68 WeakPolarHBondContact O-CB 3.31Å; A64-E68 PolarHBondContact O-N 2.95Å
65K87.5Confident90Very high56 Ų5660.8 Ų60.824%0.24334%0.342CS..Hα-helixtrans-70.9-37.7175.3-79.7-47.6-168.5-178.80114.3Y61 T62 A63 A67 E68 L69 W97Y61-K65 PolarHBondContact O-N 2.83Å; Y61-K65 VanDerWaalsContact O-N 3.12Å; T62-K65 PolarHBondContact O-N 3.42Å; A63-K65 PolarHBondContact O-N 2.94Å; K65-A67 PolarHBondContact O-N 3.32Å; K65-E68 HydrophobicContact CD-CB 4.33Å; K65-E68 WeakPolarHBondContact CD-OE2 3.29Å; K65-E68 WeakPolarHBondContact CE-OE2 3.23Å; K65-E68 IonicContact NZ-OE1 2.73Å; K65-E68 PolarHBondContact NZ-OE1 2.98Å; K65-E68 IonicContact NZ-OE2 3.66Å; K65-E68 PolarHBondContact NZ-OE2 3.48Å; K65-E68 PolarHBondContact O-N 3.41Å; K65-E68 VanDerWaalsContact O-N 3.14Å; K65-L69 WeakPolarHBondContact O-CG 3.25Å; K65-L69 PolarHBondContact O-N 3.31Å; K65-W97 HydrophobicContact CB-CH2 3.9Å; K65-W97 HydrophobicContact CB-CZ2 4.37Å; K65-W97 HydrophobicContact CB-CZ3 4.21Å; K65-W97 HydrophobicContact CD-CH2 4.22Å; K65-W97 HydrophobicContact CD-CZ3 4.06Å; K65-W97 HydrophobicContact CG-CE3 4.04Å; K65-W97 HydrophobicContact CG-CH2 3.06Å; K65-W97 HydrophobicContact CG-CZ2 3.97Å; K65-W97 HydrophobicContact CG-CZ3 3.2Å
66I90.4Very high90.2Very high1 Ų156 Ų561%0.00531%0.311CS..Hα-helixtrans-59.1-42.1173-67.1168.4000109.2L49 F53 T62 A63 L69 F71 L76 L91 I107L49-I66 HydrophobicContact CD1-CB 4.27Å; L49-I66 HydrophobicContact CD1-CG2 3.88Å; L49-I66 HydrophobicContact CD2-CG2 4.46Å; F53-I66 HydrophobicContact CE2-CD1 3.77Å; F53-I66 HydrophobicContact CE2-CG2 4.38Å; F53-I66 HydrophobicContact CZ-CD1 4.02Å; T62-I66 HydrophobicContact CG2-CD1 4.15Å; T62-I66 WeakPolarHBondContact O-CG1 3.32Å; T62-I66 PolarHBondContact O-N 3.39Å; T62-I66 VanDerWaalsContact O-N 3.07Å; A63-I66 PolarHBondContact O-N 3.46Å; I66-L69 PolarHBondContact O-N 3.25Å; I66-F71 HydrophobicContact CG2-CB 3.57Å; I66-F71 HydrophobicContact CG2-CD2 4.28Å; I66-F71 HydrophobicContact CG2-CG 4.19Å; I66-F71 WeakPolarHBondContact O-CB 3.31Å; I66-F71 PolarHBondContact O-N 3.35Å; I66-L76 HydrophobicContact CG2-CD1 4.24Å; I66-L91 HydrophobicContact CD1-CD1 4.47Å; I66-L91 HydrophobicContact CG1-CD1 4.02Å; I66-I107 HydrophobicContact CD1-CD1 3.97Å
67A90.2Very high90.2Very high23 Ų2353.7 Ų53.719%0.1930%0.304CS..Hα-helixtrans-62.5-42.5173.200000112.8L46 L49 A63 A64 K65 L69 G70L46-A67 HydrophobicContact CB-CB 4.35Å; L46-A67 HydrophobicContact CD2-CB 3.91Å; L49-A67 HydrophobicContact CD1-CB 3.67Å; A63-A67 PolarHBondContact O-N 2.99Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.11Å; K65-A67 PolarHBondContact O-N 3.32Å; A67-L69 VanDerWaalsContact C-N 3.26Å; A67-L69 PolarHBondContact O-N 2.73Å; A67-G70 PolarHBondContact O-N 3.25Å
68E88.1Confident90.3Very high136 Ų13653.5 Ų53.564%0.63630%0.302SS*.Hα-helixtrans-64.5-29.9179.9-166.5179.3140.200112.6A64 K65 G70A64-E68 WeakPolarHBondContact O-CB 3.31Å; A64-E68 PolarHBondContact O-N 2.95Å; K65-E68 HydrophobicContact CD-CB 4.33Å; K65-E68 WeakPolarHBondContact CD-OE2 3.29Å; K65-E68 WeakPolarHBondContact CE-OE2 3.23Å; K65-E68 IonicContact NZ-OE1 2.73Å; K65-E68 PolarHBondContact NZ-OE1 2.98Å; K65-E68 IonicContact NZ-OE2 3.66Å; K65-E68 PolarHBondContact NZ-OE2 3.48Å; K65-E68 PolarHBondContact O-N 3.41Å; K65-E68 VanDerWaalsContact O-N 3.14Å; E68-G70 PolarHBondContact O-N 3.46Å
69L89Confident90.4Very high67 Ų6753.9 Ų53.935%0.35130%0.304SS..THydrogen-bonded Turntrans-77.1-0.2172.8-65.7176.4000113.8K65 I66 A67 F71 L91 F95K65-L69 WeakPolarHBondContact O-CG 3.25Å; K65-L69 PolarHBondContact O-N 3.31Å; I66-L69 PolarHBondContact O-N 3.25Å; A67-L69 VanDerWaalsContact C-N 3.26Å; A67-L69 PolarHBondContact O-N 2.73Å; L69-F71 HydrophobicContact CB-CD2 3.89Å; L69-F71 HydrophobicContact CB-CE2 4.12Å; L69-L91 HydrophobicContact CD1-CD2 3.31Å; L69-L91 HydrophobicContact CD1-CG 4.36Å; L69-F95 HydrophobicContact CD1-CD2 4.33Å; L69-F95 HydrophobicContact CD1-CE2 3.93Å; L69-F95 HydrophobicContact CD1-CZ 4.37Å; L69-F95 HydrophobicContact CD2-CE1 3.81Å; L69-F95 HydrophobicContact CD2-CE2 3.72Å; L69-F95 HydrophobicContact CD2-CZ 3.29Å; L69-F95 HydrophobicContact CG-CZ 4.47Å
70G90.3Very high90.5Very high56 Ų5655.1 Ų55.158%0.57731%0.313SS*.THydrogen-bonded Turntrans867.3178.600000114.5A67 E68A67-G70 PolarHBondContact O-N 3.25Å; E68-G70 PolarHBondContact O-N 3.46Å
71F91.7Very high90.7Very high48 Ų4850.8 Ų50.821%0.21130%0.295CS..  trans-73.1134.6170.6-68.7-80.5000109.9L49 I66 L69 T75 L76 M79 M87L49-F71 WeakPolarHBondContact CD1-O 3.49Å; I66-F71 HydrophobicContact CG2-CB 3.57Å; I66-F71 HydrophobicContact CG2-CD2 4.28Å; I66-F71 HydrophobicContact CG2-CG 4.19Å; I66-F71 WeakPolarHBondContact O-CB 3.31Å; I66-F71 PolarHBondContact O-N 3.35Å; L69-F71 HydrophobicContact CB-CD2 3.89Å; L69-F71 HydrophobicContact CB-CE2 4.12Å; F71-T75 HydrophobicContact CD1-CG2 4.04Å; F71-L76 HydrophobicContact CB-CD2 4.2Å; F71-L76 HydrophobicContact CB-CG 4.42Å; F71-L76 HydrophobicContact CD1-CD2 3.89Å; F71-L76 HydrophobicContact CG-CD2 4.23Å; F71-M79 HydrophobicContact CD1-SD 4Å; F71-M79 HydrophobicContact CE1-CE 4.03Å; F71-M79 HydrophobicContact CE1-SD 3.66Å; F71-M87 HydrophobicContact CD1-SD 4.07Å; F71-M87 HydrophobicContact CD2-SD 4.12Å; F71-M87 HydrophobicContact CE1-CG 4.21Å; F71-M87 HydrophobicContact CE1-SD 3.9Å; F71-M87 HydrophobicContact CE2-CG 3.81Å; F71-M87 HydrophobicContact CE2-SD 3.95Å; F71-M87 HydrophobicContact CG-SD 4.19Å; F71-M87 HydrophobicContact CZ-CB 4.48Å; F71-M87 HydrophobicContact CZ-CG 3.62Å; F71-M87 HydrophobicContact CZ-SD 3.84Å
72T92.5Very high90.9Very high47 Ų4750.4 Ų50.429%0.28830%0.299SS..  trans-115.4164.6173.168.60000109.7S74 T75 L76T72-S74 PolarHBondContact O-N 3.29Å; T72-S74 PolarHBondContact OG1-OG 3.36Å; T72-T75 WeakPolarHBondContact O-CB 3.49Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 VanDerWaalsContact O-N 3.12Å; T72-T75 PolarHBondContact OG1-N 3.12Å; T72-T75 PolarHBondContact OG1-OG1 3.09Å; T72-L76 PolarHBondContact O-N 3.21Å
73A91.2Very high91.2Very high23 Ų2354.1 Ų54.119%0.1932%0.316CS..Hα-helixtrans-55.7-40176.600000112.2G47 L52 L76 V77G47-A73 PolarHBondContact O-N 3.03Å; L52-A73 HydrophobicContact CD2-CB 4.24Å; A73-L76 PolarHBondContact O-N 3.21Å; A73-V77 VanDerWaalsContact O-CG2 3.29Å; A73-V77 WeakPolarHBondContact O-CG2 3.31Å; A73-V77 PolarHBondContact O-N 3.1Å; A73-V77 VanDerWaalsContact O-N 3.1Å
74S90Very high91.4Very high94 Ų9453.9 Ų53.966%0.65731%0.314SS*.Hα-helixtrans-67-38.3177.559.80000112.5T72 G78T72-S74 PolarHBondContact O-N 3.29Å; T72-S74 PolarHBondContact OG1-OG 3.36Å; S74-G78 PolarHBondContact O-N 3.34Å
75T92.2Very high91.6Very high62 Ų6255.7 Ų55.738%0.3832%0.319SS..Hα-helixtrans-61.3-48.2175-48.60000110.9F71 T72 V77 G78 M79F71-T75 HydrophobicContact CD1-CG2 4.04Å; T72-T75 WeakPolarHBondContact O-CB 3.49Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 VanDerWaalsContact O-N 3.12Å; T72-T75 PolarHBondContact OG1-N 3.12Å; T72-T75 PolarHBondContact OG1-OG1 3.09Å; T75-V77 PolarHBondContact O-N 3.31Å; T75-G78 PolarHBondContact O-N 3.22Å; T75-M79 HydrophobicContact CG2-SD 4.46Å; T75-M79 WeakPolarHBondContact O-CG 3.29Å; T75-M79 PolarHBondContact O-N 3.25Å
76L93.9Very high91.9Very high0 Ų059.2 Ų59.20%034%0.336CS..Hα-helixtrans-64.2-40.3-178.1-66.7179.7000112.4L49 L52 F53 I66 F71 T72 A73 G78 M79 L84 M87 V111L49-L76 HydrophobicContact CD2-CD1 3.39Å; L49-L76 HydrophobicContact CD2-CG 4.39Å; L52-L76 HydrophobicContact CD2-CD1 3.99Å; F53-L76 HydrophobicContact CE1-CD1 4.16Å; F53-L76 HydrophobicContact CE2-CD1 4.27Å; F53-L76 HydrophobicContact CZ-CD1 3.48Å; F53-L76 VanDerWaalsContact CZ-CD1 3.48Å; I66-L76 HydrophobicContact CG2-CD1 4.24Å; F71-L76 HydrophobicContact CB-CD2 4.2Å; F71-L76 HydrophobicContact CB-CG 4.42Å; F71-L76 HydrophobicContact CD1-CD2 3.89Å; F71-L76 HydrophobicContact CG-CD2 4.23Å; T72-L76 PolarHBondContact O-N 3.21Å; A73-L76 PolarHBondContact O-N 3.21Å; L76-G78 PolarHBondContact O-N 2.99Å; L76-M79 HydrophobicContact CD2-SD 4.06Å; L76-M79 PolarHBondContact O-N 2.96Å; L76-M79 VanDerWaalsContact O-N 3.11Å; L76-L84 HydrophobicContact CD2-CD2 4.05Å; L76-M87 HydrophobicContact CD2-CE 4.25Å; L76-M87 HydrophobicContact CD2-SD 3.68Å; L76-V111 HydrophobicContact CB-CG2 3.89Å; L76-V111 WeakPolarHBondContact O-CG1 3.43Å
77V92.6Very high92Very high26 Ų2659.7 Ų59.716%0.15834%0.338CS..Hα-helixtrans-61.2-27.8174.8170.60000112A73 T75 E114 R115 L118A73-V77 VanDerWaalsContact O-CG2 3.29Å; A73-V77 WeakPolarHBondContact O-CG2 3.31Å; A73-V77 PolarHBondContact O-N 3.1Å; A73-V77 VanDerWaalsContact O-N 3.1Å; T75-V77 PolarHBondContact O-N 3.31Å; V77-E114 HydrophobicContact CG2-CB 3.98Å; V77-E114 HydrophobicContact CG2-CG 3.59Å; V77-R115 HydrophobicContact CG1-CG 3.88Å; V77-R115 VanDerWaalsContact O-CZ 3.24Å; V77-R115 PolarHBondContact O-NE 3.45Å; V77-R115 PolarHBondContact O-NH2 3Å; V77-L118 HydrophobicContact CG1-CD1 3.62Å; V77-L118 HydrophobicContact CG2-CD1 4.39Å
78G91.1Very high92Very high59 Ų5958.6 Ų58.661%0.60833%0.329SS*.Hα-helixtrans-75.8-21.4175.200000115.2S74 T75 L76S74-G78 PolarHBondContact O-N 3.34Å; T75-G78 PolarHBondContact O-N 3.22Å; L76-G78 PolarHBondContact O-N 2.99Å
79M92.4Very high92.2Very high27 Ų2754.6 Ų54.613%0.13331%0.312CS..SBendtrans-88.8127.7-168.8-70.5172.469.700114.2F71 T75 L76 E83 L84 M87 R115F71-M79 HydrophobicContact CD1-SD 4Å; F71-M79 HydrophobicContact CE1-CE 4.03Å; F71-M79 HydrophobicContact CE1-SD 3.66Å; T75-M79 HydrophobicContact CG2-SD 4.46Å; T75-M79 WeakPolarHBondContact O-CG 3.29Å; T75-M79 PolarHBondContact O-N 3.25Å; L76-M79 HydrophobicContact CD2-SD 4.06Å; L76-M79 PolarHBondContact O-N 2.96Å; L76-M79 VanDerWaalsContact O-N 3.11Å; M79-E83 WeakPolarHBondContact CA-OE2 3.14Å; M79-E83 HydrophobicContact CB-CB 4.11Å; M79-E83 HydrophobicContact CE-CB 3.94Å; M79-E83 WeakPolarHBondContact CE-O 3.38Å; M79-L84 HydrophobicContact CB-CD2 3.9Å; M79-L84 HydrophobicContact CB-CG 4.12Å; M79-L84 HydrophobicContact CE-CD2 4.32Å; M79-L84 HydrophobicContact SD-CD2 4.27Å; M79-M87 HydrophobicContact CE-CB 4.02Å; M79-M87 HydrophobicContact CE-SD 4.42Å; M79-R115 VanDerWaalsContact O-CZ 3.24Å; M79-R115 PolarHBondContact O-NH1 3.42Å; M79-R115 PolarHBondContact O-NH2 3.45Å
80K92.2Very high92.3Very high129 Ų12953.5 Ų53.556%0.56131%0.31SS*.  trans-59160.5177.7-57.9179.6-177168.30112.2E82 E83 L84K80-E82 WeakPolarHBondContact CB-OE2 3.47Å; K80-E82 PolarHBondContact O-N 3Å; K80-E82 VanDerWaalsContact O-N 3.14Å; K80-E83 HydrophobicContact CB-CG 4.23Å; K80-E83 PolarHBondContact N-OE2 3.42Å; K80-E83 PolarHBondContact O-N 3.3Å; K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 3.04Å
81D92.4Very high92.2Very high43 Ų4351.1 Ų51.123%0.2328%0.284CS..Hα-helixtrans-60.8-27.2-178.1-74.6-4.2000112.3E85 K108 R112 R115D81-E85 PolarHBondContact O-N 2.9Å; D81-K108 WeakPolarHBondContact O-CE 3.4Å; D81-R112 IonicContact OD2-CZ 2.83Å; D81-R112 IonicContact OD2-NH2 3.03Å; D81-R112 PolarHBondContact OD2-NH2 3.22Å; D81-R115 IonicContact OD1-NH1 3.74Å
82E93.8Very high91.9Very high132 Ų13250.5 Ų50.562%0.61729%0.286SS*.Hα-helixtrans-72.2-43.6173.1-55.775.7-15700111.9K80 L84 E85 E86K80-E82 WeakPolarHBondContact CB-OE2 3.47Å; K80-E82 PolarHBondContact O-N 3Å; K80-E82 VanDerWaalsContact O-N 3.14Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.34Å; E82-E85 WeakPolarHBondContact O-CB 3.46Å; E82-E85 PolarHBondContact O-N 3.49Å; E82-E85 VanDerWaalsContact O-N 3.13Å; E82-E86 PolarHBondContact O-N 2.95Å
83E94.6Very high91.6Very high80 Ų8055.2 Ų55.237%0.37430%0.304SS..Hα-helixtrans-66-36.4178.1-64.4171.4159.200111.1M79 K80 E85 E86 M87M79-E83 WeakPolarHBondContact CA-OE2 3.14Å; M79-E83 HydrophobicContact CB-CB 4.11Å; M79-E83 HydrophobicContact CE-CB 3.94Å; M79-E83 WeakPolarHBondContact CE-O 3.38Å; K80-E83 HydrophobicContact CB-CG 4.23Å; K80-E83 PolarHBondContact N-OE2 3.42Å; K80-E83 PolarHBondContact O-N 3.3Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-M87 WeakPolarHBondContact O-CB 3.38Å; E83-M87 PolarHBondContact O-N 3.39Å
84L94.3Very high91.3Very high0 Ų059.8 Ų59.80%032%0.324CS..Hα-helixtrans-64-39172.1-67.2174.6000111.6L76 M79 K80 E82 M87 M88 V111L76-L84 HydrophobicContact CD2-CD2 4.05Å; M79-L84 HydrophobicContact CB-CD2 3.9Å; M79-L84 HydrophobicContact CB-CG 4.12Å; M79-L84 HydrophobicContact CE-CD2 4.32Å; M79-L84 HydrophobicContact SD-CD2 4.27Å; K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 3.04Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.34Å; L84-M87 HydrophobicContact CD2-CE 4.43Å; L84-M87 PolarHBondContact O-N 3.22Å; L84-M88 WeakPolarHBondContact O-CE 3.49Å; L84-M88 VanDerWaalsContact O-CG 3.27Å; L84-M88 WeakPolarHBondContact O-CG 3.46Å; L84-M88 PolarHBondContact O-N 3.34Å; L84-V111 HydrophobicContact CD1-CB 4Å; L84-V111 HydrophobicContact CD1-CG1 3.88Å; L84-V111 HydrophobicContact CD1-CG2 4.14Å; L84-V111 HydrophobicContact CD2-CG2 4.33Å
85E93.7Very high91Very high60 Ų6060.6 Ų60.628%0.2832%0.316SS..Hα-helixtrans-65.9-43.2175.8-167.163-144.400111.2D81 E82 E83 M87 M88 N89 R104 K108D81-E85 PolarHBondContact O-N 2.9Å; E82-E85 WeakPolarHBondContact O-CB 3.46Å; E82-E85 PolarHBondContact O-N 3.49Å; E82-E85 VanDerWaalsContact O-N 3.13Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E85-M87 PolarHBondContact O-N 2.87Å; E85-M88 HydrophobicContact CB-CE 4.5Å; E85-M88 PolarHBondContact O-N 3.22Å; E85-M88 WeakPolarHBondContact OE2-CE 3.47Å; E85-N89 VanDerWaalsContact O-CB 3.32Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 2.83Å; E85-N89 PolarHBondContact O-ND2 3.39Å; E85-R104 IonicContact OE1-CZ 3.28Å; E85-R104 IonicContact OE1-NH1 3.8Å; E85-R104 PolarHBondContact OE1-NH1 3.26Å; E85-K108 VanDerWaalsContact OE2-CE 3.23Å; E85-K108 WeakPolarHBondContact OE2-CE 3.47Å; E85-K108 IonicContact OE2-NZ 2.97Å; E85-K108 PolarHBondContact OE2-NZ 3.5Å
86E92.7Very high90.5Very high130 Ų13068.3 Ų68.361%0.60734%0.338SS*.Hα-helixtrans-62.2-41175.3-172.8173.1-167.800112.3E82 E83 N89 S90E82-E86 PolarHBondContact O-N 2.95Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-N89 PolarHBondContact O-N 3.44Å; E86-S90 WeakPolarHBondContact O-CB 3.34Å; E86-S90 PolarHBondContact O-N 3.39Å; E86-S90 PolarHBondContact O-OG 3.4Å
87M92.4Very high90Very high12 Ų1269.7 Ų69.76%0.05934%0.344CS..Hα-helixtrans-61.2-48.3172.7178-157.570.400111.6F71 L76 M79 E83 L84 E85 N89 S90 L91 I107F71-M87 HydrophobicContact CD1-SD 4.07Å; F71-M87 HydrophobicContact CD2-SD 4.12Å; F71-M87 HydrophobicContact CE1-CG 4.21Å; F71-M87 HydrophobicContact CE1-SD 3.9Å; F71-M87 HydrophobicContact CE2-CG 3.81Å; F71-M87 HydrophobicContact CE2-SD 3.95Å; F71-M87 HydrophobicContact CG-SD 4.19Å; F71-M87 HydrophobicContact CZ-CB 4.48Å; F71-M87 HydrophobicContact CZ-CG 3.62Å; F71-M87 HydrophobicContact CZ-SD 3.84Å; L76-M87 HydrophobicContact CD2-CE 4.25Å; L76-M87 HydrophobicContact CD2-SD 3.68Å; M79-M87 HydrophobicContact CE-CB 4.02Å; M79-M87 HydrophobicContact CE-SD 4.42Å; E83-M87 WeakPolarHBondContact O-CB 3.38Å; E83-M87 PolarHBondContact O-N 3.39Å; L84-M87 HydrophobicContact CD2-CE 4.43Å; L84-M87 PolarHBondContact O-N 3.22Å; E85-M87 PolarHBondContact O-N 2.87Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 3.04Å; M87-S90 WeakPolarHBondContact O-CB 3.28Å; M87-S90 PolarHBondContact O-N 3.29Å; M87-L91 WeakPolarHBondContact O-CG 3.47Å; M87-L91 PolarHBondContact O-N 3.33Å; M87-I107 HydrophobicContact CE-CG2 4.25Å
88M91.9Very high89.7Confident0 Ų076.1 Ų76.10%037%0.372CS..Hα-helixtrans-63.7-36.4177.9-71.2-176.1-61.100112L84 E85 L91 S92 L99 R104 I107 K108L84-M88 WeakPolarHBondContact O-CE 3.49Å; L84-M88 VanDerWaalsContact O-CG 3.27Å; L84-M88 WeakPolarHBondContact O-CG 3.46Å; L84-M88 PolarHBondContact O-N 3.34Å; E85-M88 HydrophobicContact CB-CE 4.5Å; E85-M88 PolarHBondContact O-N 3.22Å; E85-M88 WeakPolarHBondContact OE2-CE 3.47Å; M88-L91 WeakPolarHBondContact O-CB 3.49Å; M88-L91 PolarHBondContact O-N 2.63Å; M88-S92 PolarHBondContact O-N 3.3Å; M88-S92 VanDerWaalsContact O-N 3.08Å; M88-S92 PolarHBondContact O-OG 2.96Å; M88-L99 HydrophobicContact CB-CD1 3.87Å; M88-L99 HydrophobicContact CG-CD1 4.09Å; M88-R104 PolarHBondContact O-NH2 2.74Å; M88-R104 HydrophobicContact SD-CB 3.94Å; M88-R104 HydrophobicContact SD-CG 4Å; M88-I107 HydrophobicContact CG-CD1 4.26Å; M88-I107 HydrophobicContact SD-CB 4.16Å; M88-I107 HydrophobicContact SD-CD1 4.05Å; M88-I107 HydrophobicContact SD-CG2 4.32Å; M88-K108 HydrophobicContact CE-CD 4.02Å; M88-K108 HydrophobicContact CE-CG 4.04Å
89N92Very high89.5Confident52 Ų5274 Ų7428%0.27835%0.347SS..Hα-helixtrans-66.8-42174.2-69.1-18.2000111E85 E86 M87 L91 S92 H93 R104E85-N89 VanDerWaalsContact O-CB 3.32Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 2.83Å; E85-N89 PolarHBondContact O-ND2 3.39Å; E86-N89 PolarHBondContact O-N 3.44Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 3.04Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.3Å; N89-S92 WeakPolarHBondContact CA-OG 3.1Å; N89-S92 PolarHBondContact O-N 3.11Å; N89-S92 VanDerWaalsContact O-N 3.13Å; N89-S92 PolarHBondContact O-OG 3.25Å; N89-H93 WeakPolarHBondContact O-CB 3.47Å; N89-H93 PolarHBondContact O-CD2 3.37Å; N89-H93 PolarHBondContact O-N 3.44Å; N89-R104 PolarHBondContact OD1-NH1 3.12Å; N89-R104 PolarHBondContact OD1-NH2 3.48Å
90S90.1Very high89.5Confident44 Ų4477 Ų7731%0.30836%0.362SS..Hα-helixtrans-61.3-40.7174.3-62.20000111.9E86 M87 S92 H93 I94E86-S90 WeakPolarHBondContact O-CB 3.34Å; E86-S90 PolarHBondContact O-N 3.39Å; E86-S90 PolarHBondContact O-OG 3.4Å; M87-S90 WeakPolarHBondContact O-CB 3.28Å; M87-S90 PolarHBondContact O-N 3.29Å; S90-S92 VanDerWaalsContact C-N 3.34Å; S90-S92 PolarHBondContact O-N 3.28Å; S90-H93 PolarHBondContact O-N 3.39Å; S90-I94 VanDerWaalsContact O-CB 3.24Å; S90-I94 WeakPolarHBondContact O-CB 3.2Å; S90-I94 PolarHBondContact O-N 2.85Å
91L88.1Confident89.4Confident6 Ų676 Ų763%0.03137%0.367CS..Hα-helixtrans-57-46.1171.4-75.5171.4000111.7I66 L69 M87 M88 N89 F95 W97 L99I66-L91 HydrophobicContact CD1-CD1 4.47Å; I66-L91 HydrophobicContact CG1-CD1 4.02Å; L69-L91 HydrophobicContact CD1-CD2 3.31Å; L69-L91 HydrophobicContact CD1-CG 4.36Å; M87-L91 WeakPolarHBondContact O-CG 3.47Å; M87-L91 PolarHBondContact O-N 3.33Å; M88-L91 WeakPolarHBondContact O-CB 3.49Å; M88-L91 PolarHBondContact O-N 2.63Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L91 PolarHBondContact O-N 3.3Å; L91-F95 HydrophobicContact CD2-CD2 4.27Å; L91-F95 WeakPolarHBondContact O-CB 3.44Å; L91-F95 PolarHBondContact O-N 2.91Å; L91-W97 VanDerWaalsContact O-CB 3.27Å; L91-W97 WeakPolarHBondContact O-CB 3.22Å; L91-W97 PolarHBondContact O-N 3.14Å; L91-W97 VanDerWaalsContact O-N 3.12Å; L91-L99 HydrophobicContact CB-CD1 4.07Å; L91-L99 HydrophobicContact CD1-CD1 4.19Å
92S86.7Confident89.4Confident34 Ų3476.3 Ų76.324%0.23838%0.381CS..Hα-helixtrans-74.1-36.2179.754.10000114.6M88 N89 S90 R96 W97 R104M88-S92 PolarHBondContact O-N 3.3Å; M88-S92 VanDerWaalsContact O-N 3.08Å; M88-S92 PolarHBondContact O-OG 2.96Å; N89-S92 WeakPolarHBondContact CA-OG 3.1Å; N89-S92 PolarHBondContact O-N 3.11Å; N89-S92 VanDerWaalsContact O-N 3.13Å; N89-S92 PolarHBondContact O-OG 3.25Å; S90-S92 VanDerWaalsContact C-N 3.34Å; S90-S92 PolarHBondContact O-N 3.28Å; S92-R96 VanDerWaalsContact O-CA 3.29Å; S92-R96 WeakPolarHBondContact O-CA 3.39Å; S92-W97 VanDerWaalsContact CA-O 3.3Å; S92-W97 WeakPolarHBondContact CA-O 3.45Å; S92-R104 PolarHBondContact OG-NH2 3.36Å
93H86.3Confident89.4Confident147 Ų14770.1 Ų70.168%0.68135%0.352SS*.Hα-helixtrans-86.8-46.2-174.4-71-61.6000112.8N89 S90N89-H93 WeakPolarHBondContact O-CB 3.47Å; N89-H93 PolarHBondContact O-CD2 3.37Å; N89-H93 PolarHBondContact O-N 3.44Å; S90-H93 PolarHBondContact O-N 3.39Å
94I83.5Confident89.3Confident118 Ų11868.6 Ų68.661%0.60534%0.343SS*.THydrogen-bonded Turntrans-83.4-49.1-173.6-55.6175.8000109.8S90 R96S90-I94 VanDerWaalsContact O-CB 3.24Å; S90-I94 WeakPolarHBondContact O-CB 3.2Å; S90-I94 PolarHBondContact O-N 2.85Å; I94-R96 VanDerWaalsContact C-N 3.31Å; I94-R96 PolarHBondContact O-N 3.14Å
95F83.2Confident89.2Confident111 Ų11176.6 Ų76.649%0.48737%0.374SS..SBendtrans-90.11.8-176.1-60-79.9000113.2L69 L91 W97L69-F95 HydrophobicContact CD1-CD2 4.33Å; L69-F95 HydrophobicContact CD1-CE2 3.93Å; L69-F95 HydrophobicContact CD1-CZ 4.37Å; L69-F95 HydrophobicContact CD2-CE1 3.81Å; L69-F95 HydrophobicContact CD2-CE2 3.72Å; L69-F95 HydrophobicContact CD2-CZ 3.29Å; L69-F95 HydrophobicContact CG-CZ 4.47Å; L91-F95 HydrophobicContact CD2-CD2 4.27Å; L91-F95 WeakPolarHBondContact O-CB 3.44Å; L91-F95 PolarHBondContact O-N 2.91Å; F95-W97 PolarHBondContact O-N 3.2Å; F95-W97 VanDerWaalsContact O-N 3.15Å
96R82.9Confident89.3Confident225 Ų22574 Ų7485%0.84936%0.364SS*.  trans49.934.9-175-58.7-17672.4-179.12.7112S92 I94S92-R96 VanDerWaalsContact O-CA 3.29Å; S92-R96 WeakPolarHBondContact O-CA 3.39Å; I94-R96 VanDerWaalsContact C-N 3.31Å; I94-R96 PolarHBondContact O-N 3.14Å
97W83.3Confident89.3Confident29 Ų2967.9 Ų67.911%0.1134%0.335CS..  trans-87.6119.3-175.7-166.2-78.5000111.4Y61 K65 L91 S92 F95 L99Y61-W97 AromaticContact CD1-CH2 3Å; Y61-W97 HydrophobicContact CD1-CH2 3Å; Y61-W97 AromaticContact CD1-CZ2 3.12Å; Y61-W97 HydrophobicContact CD1-CZ2 3.12Å; Y61-W97 AromaticContact CD1-CZ3 3.94Å; Y61-W97 HydrophobicContact CD1-CZ3 3.94Å; Y61-W97 AromaticContact CD2-CH2 3.82Å; Y61-W97 HydrophobicContact CD2-CH2 3.82Å; Y61-W97 HydrophobicContact CD2-CZ2 4.49Å; Y61-W97 HydrophobicContact CE1-CE3 4.21Å; Y61-W97 AromaticContact CE1-CH2 2.78Å; Y61-W97 HydrophobicContact CE1-CH2 2.78Å; Y61-W97 AromaticContact CE1-CZ2 3.35Å; Y61-W97 HydrophobicContact CE1-CZ2 3.35Å; Y61-W97 AromaticContact CE1-CZ3 3.23Å; Y61-W97 HydrophobicContact CE1-CZ3 3.23Å; Y61-W97 AromaticContact CE2-CH2 3.63Å; Y61-W97 HydrophobicContact CE2-CH2 3.63Å; Y61-W97 HydrophobicContact CE2-CZ3 4.14Å; Y61-W97 AromaticContact CG-CH2 3.51Å; Y61-W97 HydrophobicContact CG-CH2 3.51Å; Y61-W97 AromaticContact CG-CZ2 3.75Å; Y61-W97 HydrophobicContact CG-CZ2 3.75Å; Y61-W97 AromaticContact CZ-CH2 3.09Å; Y61-W97 AromaticContact CZ-CZ3 3.3Å; Y61-W97 VanDerWaalsContact OH-CZ3 3.3Å; Y61-W97 WeakPolarHBondContact OH-CZ3 3.41Å; K65-W97 HydrophobicContact CB-CH2 3.9Å; K65-W97 HydrophobicContact CB-CZ2 4.37Å; K65-W97 HydrophobicContact CB-CZ3 4.21Å; K65-W97 HydrophobicContact CD-CH2 4.22Å; K65-W97 HydrophobicContact CD-CZ3 4.06Å; K65-W97 HydrophobicContact CG-CE3 4.04Å; K65-W97 HydrophobicContact CG-CH2 3.06Å; K65-W97 HydrophobicContact CG-CZ2 3.97Å; K65-W97 HydrophobicContact CG-CZ3 3.2Å; L91-W97 VanDerWaalsContact O-CB 3.27Å; L91-W97 WeakPolarHBondContact O-CB 3.22Å; L91-W97 PolarHBondContact O-N 3.14Å; L91-W97 VanDerWaalsContact O-N 3.12Å; S92-W97 VanDerWaalsContact CA-O 3.3Å; S92-W97 WeakPolarHBondContact CA-O 3.45Å; F95-W97 PolarHBondContact O-N 3.2Å; F95-W97 VanDerWaalsContact O-N 3.15Å; W97-L99 PolarHBondContact O-N 3Å
98E85.6Confident89.4Confident161 Ų16169.5 Ų69.575%0.75234%0.342SS*.  trans-7994.7175-163.7177.2-177.500110.1R59R59-E98 PolarHBondContact NH2-O 3.35Å
99L88.6Confident89.5Confident15 Ų1571.4 Ų71.48%0.07936%0.357CS..  trans-77.1122.7166.9-73.7169.2000108.7T62 M88 L91 W97 E103 R104 I107T62-L99 HydrophobicContact CG2-CD2 3.43Å; T62-L99 VanDerWaalsContact CG2-CD2 3.43Å; M88-L99 HydrophobicContact CB-CD1 3.87Å; M88-L99 HydrophobicContact CG-CD1 4.09Å; L91-L99 HydrophobicContact CB-CD1 4.07Å; L91-L99 HydrophobicContact CD1-CD1 4.19Å; W97-L99 PolarHBondContact O-N 3Å; L99-E103 HydrophobicContact CD2-CB 4.38Å; L99-R104 HydrophobicContact CB-CG 3.95Å; L99-R104 HydrophobicContact CD1-CG 4.33Å; L99-I107 HydrophobicContact CD2-CD1 4.36Å
100L91.6Very high89.6Confident89 Ų8968.9 Ų68.947%0.46634%0.344SS..  trans-64.2150.8173.3-57.4175.2000109.5G102 E103 R104L100-G102 PolarHBondContact O-N 3Å; L100-E103 HydrophobicContact CB-CB 4.44Å; L100-E103 HydrophobicContact CB-CG 4.05Å; L100-E103 PolarHBondContact N-OE2 3.4Å; L100-E103 WeakPolarHBondContact O-CA 3.46Å; L100-E103 WeakPolarHBondContact O-CB 3.41Å; L100-E103 PolarHBondContact O-N 2.91Å; L100-R104 PolarHBondContact O-N 3.12Å; L100-R104 VanDerWaalsContact O-N 3.08Å
101V90Very high89.8Confident107 Ų10766.8 Ų66.865%0.64833%0.329SS*.Hα-helixtrans-53-43.7176.9178.30000110.6E103 R104 Y105V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.37Å; V101-R104 PolarHBondContact O-N 3.47Å; V101-Y105 HydrophobicContact CG1-CD2 3.83Å; V101-Y105 HydrophobicContact CG1-CE2 3.57Å; V101-Y105 WeakPolarHBondContact O-CD2 3.28Å; V101-Y105 PolarHBondContact O-N 2.8Å
102G92.5Very high90Very high51 Ų5172.8 Ų72.853%0.52635%0.351SS..Hα-helixtrans-61.5-35.4175.600000114.1L100 G106L100-G102 PolarHBondContact O-N 3Å; G102-G106 WeakPolarHBondContact O-CA 3.26Å; G102-G106 PolarHBondContact O-N 3.44Å
103E92.6Very high90.3Very high1 Ų172.7 Ų72.71%0.00535%0.353CS..Hα-helixtrans-69.1-38.7176.5-67.3-177.6128.200111.4R59 T62 L99 L100 V101 G106 I107R59-E103 VanDerWaalsContact CB-OE1 3.27Å; R59-E103 WeakPolarHBondContact CB-OE1 3.45Å; R59-E103 VanDerWaalsContact CG-OE1 3.25Å; R59-E103 WeakPolarHBondContact CG-OE1 3.5Å; R59-E103 IonicContact CZ-OE1 2.72Å; R59-E103 IonicContact CZ-OE2 2.79Å; R59-E103 PolarHBondContact N-OE1 3.05Å; R59-E103 IonicContact NE-OE1 3.28Å; R59-E103 PolarHBondContact NE-OE1 3.43Å; R59-E103 IonicContact NE-OE2 3.43Å; R59-E103 PolarHBondContact NE-OE2 3.35Å; R59-E103 IonicContact NH2-OE1 3.88Å; R59-E103 IonicContact NH2-OE2 3.49Å; R59-E103 PolarHBondContact NH2-OE2 3.01Å; T62-E103 PolarHBondContact OG1-OE1 2.95Å; L99-E103 HydrophobicContact CD2-CB 4.38Å; L100-E103 HydrophobicContact CB-CB 4.44Å; L100-E103 HydrophobicContact CB-CG 4.05Å; L100-E103 PolarHBondContact N-OE2 3.4Å; L100-E103 WeakPolarHBondContact O-CA 3.46Å; L100-E103 WeakPolarHBondContact O-CB 3.41Å; L100-E103 PolarHBondContact O-N 2.91Å; V101-E103 VanDerWaalsContact C-N 3.33Å; V101-E103 PolarHBondContact O-N 3.37Å; E103-G106 PolarHBondContact O-N 3.43Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.29Å; E103-I107 PolarHBondContact O-N 2.84Å
104R92.5Very high90.5Very high49 Ų4968 Ų6819%0.18533%0.331CS..Hα-helixtrans-61.6-45.5176.3-70.9-179.7154.6-1002.6111.9E85 M88 N89 S92 L99 L100 V101 K108E85-R104 IonicContact OE1-CZ 3.28Å; E85-R104 IonicContact OE1-NH1 3.8Å; E85-R104 PolarHBondContact OE1-NH1 3.26Å; M88-R104 PolarHBondContact O-NH2 2.74Å; M88-R104 HydrophobicContact SD-CB 3.94Å; M88-R104 HydrophobicContact SD-CG 4Å; N89-R104 PolarHBondContact OD1-NH1 3.12Å; N89-R104 PolarHBondContact OD1-NH2 3.48Å; S92-R104 PolarHBondContact OG-NH2 3.36Å; L99-R104 HydrophobicContact CB-CG 3.95Å; L99-R104 HydrophobicContact CD1-CG 4.33Å; L100-R104 PolarHBondContact O-N 3.12Å; L100-R104 VanDerWaalsContact O-N 3.08Å; V101-R104 PolarHBondContact O-N 3.47Å; R104-K108 PolarHBondContact O-N 2.78Å
105Y93.8Very high90.9Very high168 Ų16865.7 Ų65.766%0.65932%0.315SS*.Hα-helixtrans-67.5-39.3173.8-74.6-73.7000111.9V101 K108 A109V101-Y105 HydrophobicContact CG1-CD2 3.83Å; V101-Y105 HydrophobicContact CG1-CE2 3.57Å; V101-Y105 WeakPolarHBondContact O-CD2 3.28Å; V101-Y105 PolarHBondContact O-N 2.8Å; Y105-K108 PolarHBondContact O-N 2.93Å; Y105-A109 VanDerWaalsContact O-CB 3.3Å; Y105-A109 WeakPolarHBondContact O-CB 3.4Å; Y105-A109 PolarHBondContact O-N 2.71Å
106G94.1Very high91.2Very high6 Ų667.8 Ų67.86%0.06232%0.319CS..Hα-helixtrans-60.3-45.2178.500000112.9Y56 G102 E103 K108 A109 A110Y56-G106 WeakPolarHBondContact CB-O 3.48Å; Y56-G106 WeakPolarHBondContact O-CA 3.37Å; G102-G106 WeakPolarHBondContact O-CA 3.26Å; G102-G106 PolarHBondContact O-N 3.44Å; E103-G106 PolarHBondContact O-N 3.43Å; G106-K108 PolarHBondContact O-N 3.31Å; G106-A109 PolarHBondContact O-N 3.22Å; G106-A110 WeakPolarHBondContact O-CB 3.32Å; G106-A110 PolarHBondContact O-N 3.32Å
107I93.4Very high91.5Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-60.6-47.9178.1-68.9163.4000110.2F53 I58 I66 M87 M88 L99 E103 A109 A110 V111F53-I107 HydrophobicContact CE1-CB 4.46Å; F53-I107 HydrophobicContact CE1-CG1 4.25Å; F53-I107 HydrophobicContact CE1-CG2 4.24Å; F53-I107 HydrophobicContact CZ-CG1 4.31Å; F53-I107 HydrophobicContact CZ-CG2 4.34Å; I58-I107 HydrophobicContact CD1-CB 4.38Å; I58-I107 HydrophobicContact CD1-CG1 3.66Å; I58-I107 HydrophobicContact CG1-CG1 4.07Å; I66-I107 HydrophobicContact CD1-CD1 3.97Å; M87-I107 HydrophobicContact CE-CG2 4.25Å; M88-I107 HydrophobicContact CG-CD1 4.26Å; M88-I107 HydrophobicContact SD-CB 4.16Å; M88-I107 HydrophobicContact SD-CD1 4.05Å; M88-I107 HydrophobicContact SD-CG2 4.32Å; L99-I107 HydrophobicContact CD2-CD1 4.36Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.29Å; E103-I107 PolarHBondContact O-N 2.84Å; I107-A109 PolarHBondContact O-N 3.11Å; I107-A110 PolarHBondContact O-N 3.08Å; I107-V111 WeakPolarHBondContact O-CG2 3.33Å; I107-V111 PolarHBondContact O-N 3.11Å; I107-V111 VanDerWaalsContact O-N 3.08Å
108K94.4Very high91.6Very high47 Ų4763.6 Ų63.620%0.20431%0.308CS..Hα-helixtrans-62.4-42.1176.9-76.1-178.4159.1179.40112.2D81 E85 M88 R104 Y105 G106 R112D81-K108 WeakPolarHBondContact O-CE 3.4Å; E85-K108 VanDerWaalsContact OE2-CE 3.23Å; E85-K108 WeakPolarHBondContact OE2-CE 3.47Å; E85-K108 IonicContact OE2-NZ 2.97Å; E85-K108 PolarHBondContact OE2-NZ 3.5Å; M88-K108 HydrophobicContact CE-CD 4.02Å; M88-K108 HydrophobicContact CE-CG 4.04Å; R104-K108 PolarHBondContact O-N 2.78Å; Y105-K108 PolarHBondContact O-N 2.93Å; G106-K108 PolarHBondContact O-N 3.31Å; K108-R112 VanDerWaalsContact O-CB 3.28Å; K108-R112 WeakPolarHBondContact O-CB 3.39Å; K108-R112 PolarHBondContact O-N 3.47Å
109A94.5Very high91.5Very high39 Ų3960.8 Ų60.832%0.32230%0.295SS..Hα-helixtrans-64.4-42.5178.100000111.8Y56 Y105 G106 I107 R112 A113Y56-A109 HydrophobicContact CD1-CB 3.59Å; Y56-A109 HydrophobicContact CE1-CB 3.81Å; Y105-A109 VanDerWaalsContact O-CB 3.3Å; Y105-A109 WeakPolarHBondContact O-CB 3.4Å; Y105-A109 PolarHBondContact O-N 2.71Å; G106-A109 PolarHBondContact O-N 3.22Å; I107-A109 PolarHBondContact O-N 3.11Å; A109-R112 PolarHBondContact O-N 3.41Å; A109-A113 WeakPolarHBondContact O-CB 3.2Å; A109-A113 PolarHBondContact O-N 3.3Å
110A94.5Very high91.3Very high0 Ų064.9 Ų64.90%031%0.314CS..Hα-helixtrans-59.4-50.8176.800000112L52 F53 Y56 G106 I107 R112 A113 E114L52-A110 HydrophobicContact CD1-CB 4.2Å; L52-A110 HydrophobicContact CG-CB 4.14Å; L52-A110 WeakPolarHBondContact O-CB 3.4Å; F53-A110 HydrophobicContact CD1-CB 3.73Å; F53-A110 HydrophobicContact CE1-CB 4.08Å; Y56-A110 HydrophobicContact CD1-CB 4.26Å; Y56-A110 HydrophobicContact CD2-CB 3.34Å; Y56-A110 VanDerWaalsContact CE2-CA 3.46Å; Y56-A110 HydrophobicContact CE2-CB 3.76Å; Y56-A110 HydrophobicContact CG-CB 3.64Å; G106-A110 WeakPolarHBondContact O-CB 3.32Å; G106-A110 PolarHBondContact O-N 3.32Å; I107-A110 PolarHBondContact O-N 3.08Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.47Å; A110-A113 PolarHBondContact O-N 2.94Å; A110-E114 WeakPolarHBondContact O-CB 3.29Å; A110-E114 PolarHBondContact O-N 2.91Å
111V94.1Very high90.8Very high0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-63.6-41.1178.5174.50000111.3L76 L84 I107 A113 E114 R115L76-V111 HydrophobicContact CB-CG2 3.89Å; L76-V111 WeakPolarHBondContact O-CG1 3.43Å; L84-V111 HydrophobicContact CD1-CB 4Å; L84-V111 HydrophobicContact CD1-CG1 3.88Å; L84-V111 HydrophobicContact CD1-CG2 4.14Å; L84-V111 HydrophobicContact CD2-CG2 4.33Å; I107-V111 WeakPolarHBondContact O-CG2 3.33Å; I107-V111 PolarHBondContact O-N 3.11Å; I107-V111 VanDerWaalsContact O-N 3.08Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.4Å; V111-E114 PolarHBondContact O-N 3.41Å; V111-R115 HydrophobicContact CG1-CG 4.49Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 VanDerWaalsContact O-CG 3.27Å; V111-R115 WeakPolarHBondContact O-CG 3.27Å; V111-R115 PolarHBondContact O-N 3.21Å
112R92.4Very high90.4Very high131 Ų13163.8 Ų63.849%0.49430%0.299SS..Hα-helixtrans-65.1-38.2178.5-174.6175.1-72.3147.5-4112.3D81 K108 A109 A110 R116D81-R112 IonicContact OD2-CZ 2.83Å; D81-R112 IonicContact OD2-NH2 3.03Å; D81-R112 PolarHBondContact OD2-NH2 3.22Å; K108-R112 VanDerWaalsContact O-CB 3.28Å; K108-R112 WeakPolarHBondContact O-CB 3.39Å; K108-R112 PolarHBondContact O-N 3.47Å; A109-R112 PolarHBondContact O-N 3.41Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.47Å; R112-R116 PolarHBondContact O-N 3Å; R112-R116 VanDerWaalsContact O-N 3.16Å
113A92.7Very high89.7Confident33 Ų3366.1 Ų66.127%0.27330%0.296SS..Hα-helixtrans-71.3-41.9176.600000112.2Y56 A109 A110 V111 R115 R116 R117Y56-A113 HydrophobicContact CE1-CB 4.42Å; Y56-A113 WeakPolarHBondContact OH-CB 3.48Å; A109-A113 WeakPolarHBondContact O-CB 3.2Å; A109-A113 PolarHBondContact O-N 3.3Å; A110-A113 PolarHBondContact O-N 2.94Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.4Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.24Å; A113-R116 PolarHBondContact O-N 3.47Å; A113-R116 VanDerWaalsContact O-N 3.1Å; A113-R117 PolarHBondContact O-N 3.07Å
114E90.6Very high89.1Confident47 Ų4771.5 Ų71.522%0.2232%0.322CS..Hα-helixtrans-66-36.4177.5-171.760.7-161.300111.8L52 V77 A110 V111 R116 R117 L118L52-E114 HydrophobicContact CD1-CB 3.47Å; L52-E114 VanDerWaalsContact CD1-CB 3.47Å; L52-E114 HydrophobicContact CD1-CG 3.85Å; V77-E114 HydrophobicContact CG2-CB 3.98Å; V77-E114 HydrophobicContact CG2-CG 3.59Å; A110-E114 WeakPolarHBondContact O-CB 3.29Å; A110-E114 PolarHBondContact O-N 2.91Å; V111-E114 PolarHBondContact O-N 3.41Å; E114-R116 VanDerWaalsContact C-N 3.32Å; E114-R116 PolarHBondContact O-N 3.17Å; E114-R117 VanDerWaalsContact CD-NE 3.33Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 IonicContact OE1-CZ 3.73Å; E114-R117 VanDerWaalsContact OE1-CZ 3.28Å; E114-R117 IonicContact OE1-NE 3.99Å; E114-R117 PolarHBondContact OE1-NE 2.86Å; E114-R117 IonicContact OE1-NH2 3.59Å; E114-R117 PolarHBondContact OE1-NH2 2.87Å; E114-R117 IonicContact OE2-NE 2.61Å; E114-R117 PolarHBondContact OE2-NE 3.25Å; E114-L118 HydrophobicContact CG-CD1 4.32Å; E114-L118 WeakPolarHBondContact O-CB 3.45Å; E114-L118 WeakPolarHBondContact O-CG 3.28Å; E114-L118 PolarHBondContact O-N 2.92Å
115R92Very high88.4Confident71 Ų7176 Ų7627%0.26834%0.344SS..Hα-helixtrans-58.9-43.1169.4-79.3172.3168.7171.3-7.2112.7V77 M79 D81 V111 A113 Q119V77-R115 HydrophobicContact CG1-CG 3.88Å; V77-R115 VanDerWaalsContact O-CZ 3.24Å; V77-R115 PolarHBondContact O-NE 3.45Å; V77-R115 PolarHBondContact O-NH2 3Å; M79-R115 VanDerWaalsContact O-CZ 3.24Å; M79-R115 PolarHBondContact O-NH1 3.42Å; M79-R115 PolarHBondContact O-NH2 3.45Å; D81-R115 IonicContact OD1-NH1 3.74Å; V111-R115 HydrophobicContact CG1-CG 4.49Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 VanDerWaalsContact O-CG 3.27Å; V111-R115 WeakPolarHBondContact O-CG 3.27Å; V111-R115 PolarHBondContact O-N 3.21Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.34Å; R115-Q119 WeakPolarHBondContact O-CB 3.4Å; R115-Q119 PolarHBondContact O-N 2.61Å
116R89.8Confident87.5Confident155 Ų15570.7 Ų70.759%0.58533%0.332SS*.Hα-helixtrans-64.7-45.2177.4-173.8-177.3-64174.3-1.1110.6R112 A113 E114 L118 Q119 E120R112-R116 PolarHBondContact O-N 3Å; R112-R116 VanDerWaalsContact O-N 3.16Å; A113-R116 WeakPolarHBondContact O-CB 3.24Å; A113-R116 PolarHBondContact O-N 3.47Å; A113-R116 VanDerWaalsContact O-N 3.1Å; E114-R116 VanDerWaalsContact C-N 3.32Å; E114-R116 PolarHBondContact O-N 3.17Å; R116-L118 PolarHBondContact O-N 3.01Å; R116-Q119 PolarHBondContact O-N 3.46Å; R116-E120 VanDerWaalsContact CG-OE1 3.3Å; R116-E120 WeakPolarHBondContact CG-OE1 3.34Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 2.97Å
117R88.3Confident86.7Confident99 Ų9972.9 Ų72.937%0.37435%0.347SS..Hα-helixtrans-58.1-47.8176.8-165.2-170.275.670.315.2111.9A113 E114 Q119 E120 E121A113-R117 PolarHBondContact O-N 3.07Å; E114-R117 VanDerWaalsContact CD-NE 3.33Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 IonicContact OE1-CZ 3.73Å; E114-R117 VanDerWaalsContact OE1-CZ 3.28Å; E114-R117 IonicContact OE1-NE 3.99Å; E114-R117 PolarHBondContact OE1-NE 2.86Å; E114-R117 IonicContact OE1-NH2 3.59Å; E114-R117 PolarHBondContact OE1-NH2 2.87Å; E114-R117 IonicContact OE2-NE 2.61Å; E114-R117 PolarHBondContact OE2-NE 3.25Å; R117-Q119 VanDerWaalsContact C-N 3.34Å; R117-Q119 PolarHBondContact O-N 3.44Å; R117-E120 PolarHBondContact O-N 3.24Å; R117-E121 IonicContact CZ-OE1 3.77Å; R117-E121 IonicContact CZ-OE2 2.71Å; R117-E121 IonicContact NH1-OE1 2.63Å; R117-E121 PolarHBondContact NH1-OE1 3.4Å; R117-E121 IonicContact NH1-OE2 3.01Å; R117-E121 PolarHBondContact NH1-OE2 3.16Å; R117-E121 IonicContact NH2-OE2 2.73Å; R117-E121 PolarHBondContact NH2-OE2 3.43Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.45Å
118L86Confident86Confident67 Ų6781 Ų8135%0.35138%0.377SS..Hα-helixtrans-66.9-34.5178-73.4168000112.8V77 E114 R116 E122V77-L118 HydrophobicContact CG1-CD1 3.62Å; V77-L118 HydrophobicContact CG2-CD1 4.39Å; E114-L118 HydrophobicContact CG-CD1 4.32Å; E114-L118 WeakPolarHBondContact O-CB 3.45Å; E114-L118 WeakPolarHBondContact O-CG 3.28Å; E114-L118 PolarHBondContact O-N 2.92Å; R116-L118 PolarHBondContact O-N 3.01Å; L118-E122 WeakPolarHBondContact O-CB 3.21Å; L118-E122 PolarHBondContact O-N 2.97Å
119Q84Confident85.1Confident101 Ų10186.2 Ų86.247%0.47240%0.396SS..Hα-helixtrans-67.1-43.5174.2-176.7179.7-8.200111.2R115 R116 R117 E122 E123R115-Q119 WeakPolarHBondContact O-CB 3.4Å; R115-Q119 PolarHBondContact O-N 2.61Å; R116-Q119 PolarHBondContact O-N 3.46Å; R117-Q119 VanDerWaalsContact C-N 3.34Å; R117-Q119 PolarHBondContact O-N 3.44Å; Q119-E122 PolarHBondContact O-N 3.06Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.28Å; Q119-E123 PolarHBondContact NE2-OE1 2.94Å; Q119-E123 WeakPolarHBondContact O-CB 3.4Å; Q119-E123 VanDerWaalsContact O-CG 3.27Å; Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.46Å
120E83.8Confident84Confident101 Ų10191.7 Ų91.747%0.47241%0.408SS..Hα-helixtrans-62.1-42.4175.1-72.9168-172.400111R116 R117 E123 E124R116-E120 VanDerWaalsContact CG-OE1 3.3Å; R116-E120 WeakPolarHBondContact CG-OE1 3.34Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 2.97Å; R117-E120 PolarHBondContact O-N 3.24Å; E120-E123 PolarHBondContact O-N 3.5Å; E120-E124 WeakPolarHBondContact O-CB 3.44Å; E120-E124 WeakPolarHBondContact O-CG 3.42Å; E120-E124 PolarHBondContact O-N 2.86Å
121E81.7Confident82.8Confident91 Ų9197.9 Ų97.943%0.42544%0.436SS..Hα-helixtrans-63.4-42.5174-74.7-177.4152.700112.6R117 E123 E124 E125R117-E121 IonicContact CZ-OE1 3.77Å; R117-E121 IonicContact CZ-OE2 2.71Å; R117-E121 IonicContact NH1-OE1 2.63Å; R117-E121 PolarHBondContact NH1-OE1 3.4Å; R117-E121 IonicContact NH1-OE2 3.01Å; R117-E121 PolarHBondContact NH1-OE2 3.16Å; R117-E121 IonicContact NH2-OE2 2.73Å; R117-E121 PolarHBondContact NH2-OE2 3.43Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.45Å; E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 3.35Å; E121-E124 PolarHBondContact O-N 3.16Å; E121-E125 VanDerWaalsContact O-CB 3.28Å; E121-E125 WeakPolarHBondContact O-CB 3.41Å; E121-E125 PolarHBondContact O-N 3.03Å
122E80.1Confident81.6Confident82 Ų82103.8 Ų103.838%0.38347%0.467SS..Hα-helixtrans-63.9-37.1175.8-167-170.8176.600111.1L118 Q119 S126 K295L118-E122 WeakPolarHBondContact O-CB 3.21Å; L118-E122 PolarHBondContact O-N 2.97Å; Q119-E122 PolarHBondContact O-N 3.06Å; E122-S126 WeakPolarHBondContact O-CB 3.33Å; E122-S126 PolarHBondContact O-N 3.3Å; E122-S126 PolarHBondContact O-OG 3.37Å; E122-K295 IonicContact OE1-NZ 3.97Å; E122-K295 PolarHBondContact OE1-NZ 3.25Å; E122-K295 IonicContact OE2-NZ 2.71Å; E122-K295 PolarHBondContact OE2-NZ 3.32Å
123E78.8Confident80.1Confident101 Ų101103 Ų10347%0.47247%0.472SS..Hα-helixtrans-71.6-40.3176.7-74.9176.2-163.500112.2Q119 E120 E121 S127Q119-E123 WeakPolarHBondContact CG-OE1 3.28Å; Q119-E123 PolarHBondContact NE2-OE1 2.94Å; Q119-E123 WeakPolarHBondContact O-CB 3.4Å; Q119-E123 VanDerWaalsContact O-CG 3.27Å; Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.46Å; E120-E123 PolarHBondContact O-N 3.5Å; E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 3.35Å; E123-S127 WeakPolarHBondContact O-CB 3.26Å; E123-S127 PolarHBondContact O-N 2.89Å; E123-S127 PolarHBondContact O-OG 3.43Å
124E78.9Confident78.6Confident114 Ų114107.7 Ų107.753%0.53349%0.492SS..Hα-helixtrans-66.4-45.3173.8-79.1-170-170.800111.7E120 E121 S126 S127 R128E120-E124 WeakPolarHBondContact O-CB 3.44Å; E120-E124 WeakPolarHBondContact O-CG 3.42Å; E120-E124 PolarHBondContact O-N 2.86Å; E121-E124 PolarHBondContact O-N 3.16Å; E124-S126 VanDerWaalsContact C-N 3.33Å; E124-S126 PolarHBondContact O-N 2.96Å; E124-S127 CarbonylContact O-C 3.42Å; E124-S127 WeakPolarHBondContact O-CA 3.41Å; E124-S127 WeakPolarHBondContact O-CB 3.49Å; E124-S127 PolarHBondContact O-N 3.36Å; E124-R128 WeakPolarHBondContact O-CG 3.25Å; E124-R128 PolarHBondContact O-N 3.37Å
125E78.1Confident77Confident142 Ų142109 Ų10966%0.66451%0.506SS*.Hα-helixtrans-64.7-40.2177.2-172.5166.8-139.600110.9E121 S127 R128 R129E121-E125 VanDerWaalsContact O-CB 3.28Å; E121-E125 WeakPolarHBondContact O-CB 3.41Å; E121-E125 PolarHBondContact O-N 3.03Å; E125-S127 PolarHBondContact O-N 3.36Å; E125-R128 PolarHBondContact O-N 2.65Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 PolarHBondContact O-N 3.42Å
126S75.5Confident75.3Confident58 Ų58109.4 Ų109.441%0.40653%0.525SS..Hα-helixtrans-61.4-34.5171.1-650000112.1E122 E124 R130E122-S126 WeakPolarHBondContact O-CB 3.33Å; E122-S126 PolarHBondContact O-N 3.3Å; E122-S126 PolarHBondContact O-OG 3.37Å; E124-S126 VanDerWaalsContact C-N 3.33Å; E124-S126 PolarHBondContact O-N 2.96Å; S126-R130 WeakPolarHBondContact O-CB 3.45Å; S126-R130 VanDerWaalsContact O-CG 3.27Å; S126-R130 WeakPolarHBondContact O-CG 3.08Å; S126-R130 PolarHBondContact O-N 3.5Å; S126-R130 PolarHBondContact O-NE 3.28Å
127S77.8Confident73.5Confident52 Ų52106.3 Ų106.336%0.36453%0.533SS..Hα-helixtrans-75.4-39.7177.5-59.90000112.2E123 E124 E125 R130 H131E123-S127 WeakPolarHBondContact O-CB 3.26Å; E123-S127 PolarHBondContact O-N 2.89Å; E123-S127 PolarHBondContact O-OG 3.43Å; E124-S127 CarbonylContact O-C 3.42Å; E124-S127 WeakPolarHBondContact O-CA 3.41Å; E124-S127 WeakPolarHBondContact O-CB 3.49Å; E124-S127 PolarHBondContact O-N 3.36Å; E125-S127 PolarHBondContact O-N 3.36Å; S127-R130 PolarHBondContact O-N 2.9Å; S127-R130 PolarHBondContact OG-NH2 3.44Å; S127-H131 WeakPolarHBondContact O-CB 3.39Å; S127-H131 PolarHBondContact O-N 2.94Å
128R79Confident71.6Confident170 Ų170104.5 Ų104.564%0.64255%0.545SS*.Hα-helixtrans-63.9-42.7172.4-71.7-178.7-175.9-175.45.1111.5E124 E125 H131 L132E124-R128 WeakPolarHBondContact O-CG 3.25Å; E124-R128 PolarHBondContact O-N 3.37Å; E125-R128 PolarHBondContact O-N 2.65Å; R128-H131 PolarHBondContact O-N 3.05Å; R128-L132 WeakPolarHBondContact O-CD1 3.44Å; R128-L132 PolarHBondContact O-N 2.88Å
129R73.9Confident69.4Low156 Ų156108.6 Ų108.659%0.58957%0.567SS**Hα-helixtrans-65.1-39.4176.8-165.1176.8-173.5-161.15.3111.8E125 L133E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 PolarHBondContact O-N 3.42Å; R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.02Å; R129-L133 VanDerWaalsContact O-N 3.09Å
130R72.5Confident67.2Low155 Ų155109.5 Ų109.559%0.58559%0.585SS**Hα-helixtrans-62.2-45.3170.7-78.5-177.1-66.7174.31.7111.6S126 S127 L133 L134S126-R130 WeakPolarHBondContact O-CB 3.45Å; S126-R130 VanDerWaalsContact O-CG 3.27Å; S126-R130 WeakPolarHBondContact O-CG 3.08Å; S126-R130 PolarHBondContact O-N 3.5Å; S126-R130 PolarHBondContact O-NE 3.28Å; S127-R130 PolarHBondContact O-N 2.9Å; S127-R130 PolarHBondContact OG-NH2 3.44Å; R130-L133 PolarHBondContact O-N 2.92Å; R130-L134 WeakPolarHBondContact O-CD1 3.43Å; R130-L134 PolarHBondContact O-N 3.26Å
131H69.5Low64.9Low129 Ų129108 Ų10860%0.59760%0.596SS**Hα-helixtrans-62.8-45.1178.6-171.366000112.1S127 R128 L133 L134 S135S127-H131 WeakPolarHBondContact O-CB 3.39Å; S127-H131 PolarHBondContact O-N 2.94Å; R128-H131 PolarHBondContact O-N 3.05Å; H131-L133 VanDerWaalsContact C-N 3.32Å; H131-L133 PolarHBondContact O-N 2.96Å; H131-L134 PolarHBondContact O-N 2.84Å; H131-S135 PolarHBondContact O-N 2.86Å; H131-S135 PolarHBondContact O-OG 2.9Å
132L67.7Low63.1Low124 Ų124110.2 Ų110.265%0.64962%0.616SS**Hα-helixtrans-60.5-39.2175.3-102.6112.9000112.8R128 S135 A136R128-L132 WeakPolarHBondContact O-CD1 3.44Å; R128-L132 PolarHBondContact O-N 2.88Å; L132-S135 PolarHBondContact O-N 3.31Å; L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.88Å
133L61.2Low61Low114 Ų114114.8 Ų114.860%0.59764%0.637SS**Hα-helixtrans-68.7-35.4176.5-76.2168.1000112.4R129 R130 H131 A137R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.02Å; R129-L133 VanDerWaalsContact O-N 3.09Å; R130-L133 PolarHBondContact O-N 2.92Å; H131-L133 VanDerWaalsContact C-N 3.32Å; H131-L133 PolarHBondContact O-N 2.96Å; L133-A137 PolarHBondContact O-N 3.07Å
134L60.8Low59.3Low132 Ų132118.4 Ų118.469%0.69165%0.654SS**Hα-helixtrans-70.2-39.3173.3-92.381.8000112R130 H131 A137R130-L134 WeakPolarHBondContact O-CD1 3.43Å; R130-L134 PolarHBondContact O-N 3.26Å; H131-L134 PolarHBondContact O-N 2.84Å; L134-A137 PolarHBondContact O-N 2.73Å
135S57.1Low57.1Low74 Ų74117.5 Ų117.552%0.51767%0.666SS.*Hα-helixtrans-71.6-33177.6-65.70000113.1H131 L132 A137 G138H131-S135 PolarHBondContact O-N 2.86Å; H131-S135 PolarHBondContact O-OG 2.9Å; L132-S135 PolarHBondContact O-N 3.31Å; S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 3.23Å; S135-G138 PolarHBondContact O-N 2.67Å
136A56.7Low55.4Low80 Ų80118 Ų11866%0.66167%0.672SS**Hα-helixtrans-74.7-17.8177.300000113.7L132 G138L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.27Å; L132-A136 PolarHBondContact O-N 2.88Å; A136-G138 VanDerWaalsContact C-N 3.35Å
137A53.3Low53.8Low91 Ų91122 Ų12275%0.75269%0.689SS**THydrogen-bonded Turntrans-891.1175.600000113.6L133 L134 S135L133-A137 PolarHBondContact O-N 3.07Å; L134-A137 PolarHBondContact O-N 2.73Å; S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 3.23Å
138G46.4Very low51.8Low61 Ų61123.8 Ų123.863%0.62971%0.707SS**  trans-95.21.8-17500000116.3S135 A136 S140S135-G138 PolarHBondContact O-N 2.67Å; A136-G138 VanDerWaalsContact C-N 3.35Å; G138-S140 PolarHBondContact O-N 3.45Å; G138-S140 VanDerWaalsContact O-N 3.14Å
139D39.9Very low49.7Very low153 Ų153123.2 Ų123.282%0.81872%0.716SS**  trans-9170.6-175.4-15918.5000112.2
140S39.5Very low48.3Very low120 Ų120120.9 Ų120.984%0.83972%0.723SS**SBendtrans-165.896.1157.4-88.40000110.9G138G138-S140 PolarHBondContact O-N 3.45Å; G138-S140 VanDerWaalsContact O-N 3.14Å
141G35.4Very low46.7Very low68 Ų68121.4 Ų121.470%0.70173%0.733SS**  trans99.1132.115000000116.5
142T43Very low45Very low139 Ų139124 Ų12485%0.85375%0.745SS**  trans76.994.715739.60000118.9
143H36.6Very low43.6Very low177 Ų177121.4 Ų121.482%0.81975%0.748SS**  40.295.7122-95.1-98.7000117
144H41.6Very low42.3Very low178 Ų178124.2 Ų124.282%0.82476%0.763SS**  trans-160.475.5134.3-104.5-58.6000110.3
145A34.8Very low41.2Very low95 Ų95123.7 Ų123.779%0.78577%0.77SS**  trans-81.698.1151.100000106.7
146L41.2Very low40.1Very low152 Ų152129.7 Ų129.780%0.79679%0.79SS**  trans-157.5140.4156.5-76.1-170.7000109.7
147D41.3Very low39Very low141 Ų141134.8 Ų134.875%0.75480%0.8SS**  trans91.859160.3-111.439.5000119.7
148A36.6Very low38.4Very low91 Ų91135.2 Ų135.275%0.75280%0.795SS**  trans-83.5131.2130.200000108.2
149L34.7Very low37.8Very low157 Ų157139.5 Ų139.582%0.82281%0.809SS**  trans10597.2171.4-57.6163.6000117.1
150S44.1Very low37.5Very low107 Ų107140.1 Ų140.175%0.74881%0.807SS**  trans-172.695139.9-86.70000109
151Q38.6Very low37.5Very low167 Ų167143.8 Ų143.878%0.7881%0.811SS**  75.110697.4-85.9-167.5-7.200114.2
152E33.9Very low37.4Very low183 Ų183148 Ų14886%0.85581%0.812SS**  36.4110.6117.8-65.8158.8147.100117.3
153G39.9Very low37.2Very low69 Ų69147 Ų14771%0.71180%0.801SS**  trans164.985.3166.300000110
154L33.1Very low37.2Very low174 Ų174145.7 Ų145.791%0.91180%0.796SS**  36.599.585.1-62.3-178.5000113.3
155S38.5Very low37.1Very low121 Ų121142.1 Ų142.185%0.84679%0.787SS**  175.2129.6117.738.30000112.3
156E32.9Very low37.3Very low199 Ų199144.9 Ų144.993%0.9379%0.788SS**  trans-65.2141.6157.7-72163106.300110
157E33.8Very low37.2Very low187 Ų187142.2 Ų142.287%0.87479%0.788SS**  trans-143.5150.2166.2-112.7-148.552.900111.1
158P40Very low37.1Very low101 Ų101140.6 Ų140.666%0.65680%0.795SS**  -119.7153.9-127.315.98.7000113.5Q160P158-Q160 PolarHBondContact O-N 3.01Å
159V33.7Very low37.1Very low150 Ų150139.7 Ų139.791%0.90979%0.794SS**  trans-80.4104.7167.9177.70000109
160Q35.3Very low37.2Very low166 Ų166139.3 Ų139.378%0.77679%0.793SS**  trans-144.8109.1161.8-76.2-174.2-9.200110.7P158P158-Q160 PolarHBondContact O-N 3.01Å
161Q38.3Very low36.9Very low198 Ų198141.3 Ų141.393%0.92580%0.795SS**  trans-145.385.5143.2-110170.929.500108.3
162Q34Very low36.8Very low155 Ų155136.4 Ų136.472%0.72479%0.79SS**  trans-34.3142.5139.5-152.71145.700109.8
163D37.9Very low36.8Very low118 Ų118131.7 Ų131.763%0.63179%0.79SS**  -177.5163.152.1-141.9-16.9000110.8
164Q37.3Very low36.4Very low150 Ų150132.7 Ų132.770%0.70180%0.8SS**  trans90.1113.2149.7-79.4173.429.300123
165T39.5Very low36.4Very low104 Ų104128 Ų12864%0.63879%0.794SS**  95.597.5128.355.50000119.4
166D38.2Very low36.2Very low152 Ų152128.9 Ų128.981%0.81380%0.8SS**  84.6140.7117-59.2-26.8000121.8
167A39.7Very low36.3Very low96 Ų96121.5 Ų121.579%0.79378%0.778SS**  trans89.685.8157.100000118.8
168A39.4Very low36.1Very low108 Ų108121.7 Ų121.789%0.89377%0.772SS**  70128.1113.300000120.9
169G36.6Very low35.9Very low72 Ų72127.7 Ų127.774%0.74278%0.781SS**  trans115.783.2143.400000114.7
170N36.7Very low35.9Very low149 Ų149126.9 Ų126.980%0.79777%0.772SS**  80.198.497.3-163.658000112.9
171N37.8Very low35.9Very low149 Ų149122.7 Ų122.780%0.79777%0.766SS**  78.4127.1105.5-165.547.9000112.4
172G36.2Very low35.8Very low64 Ų64117.2 Ų117.266%0.6676%0.762SS**  cis157.1169.715.100000106.9
173G33.8Very low36Very low83 Ų83119.2 Ų119.286%0.85677%0.772SS**  trans88.4114154.100000116.8
174G32.3Very low35.9Very low90 Ų90117 Ų11793%0.92878%0.777SS**  trans-74.4177.8175.900000115.2
175G33.5Very low36Very low77 Ų77119.7 Ų119.779%0.79479%0.787SS**  trans172.4106173.400000111.4
176S33.3Very low35.9Very low138 Ų138123.6 Ų123.697%0.96580%0.8SS**  trans-57.8132.9161.6-179.70000110
177G34.8Very low36Very low45 Ų45126 Ų12646%0.46480%0.803SS.*  trans176.5116.4178.900000113.7
178Y30.7Very low35.8Very low191 Ų191131.5 Ų131.575%0.74981%0.809SS**  trans-85125-174.8164.3-87.9000112.5D180Y178-D180 HydrophobicContact CE1-CB 4.39Å
179W35.2Very low35.9Very low226 Ų226135.7 Ų135.786%0.85681%0.81SS**  trans-150.9107.5161.5-8.993.8000106
180D33.3Very low36Very low134 Ų134141 Ų14172%0.71782%0.816SS**  68135.469.7-161.337.9000116.2Y178Y178-D180 HydrophobicContact CE1-CB 4.39Å
181A36.4Very low36.3Very low77 Ų77142.9 Ų142.964%0.63682%0.82SS**  trans72.691.3157.300000120.5
182G35.9Very low36.5Very low83 Ų83144.4 Ų144.486%0.85682%0.822SS**  trans-125.897.915000000110.7
183Q38.3Very low36.7Very low197 Ų197151.2 Ų151.292%0.92183%0.828SS**  trans-66.8145.9-175-65.9174.8-7.300114.3
184G35.6Very low37Very low73 Ų73159.4 Ų159.475%0.75383%0.833SS**  trans-172.559.9173.300000117.5
185K38.1Very low37.4Very low206 Ų206164 Ų16490%0.89682%0.822SS**  trans49.8104.4148-64.4-177.1176.8175.50121
186M39Very low37.7Very low185 Ų185169 Ų16991%0.91182%0.822SS**  trans10.5124.9130-54.7-178.3-177.700119.9
187K38.3Very low38.1Very low202 Ų202172.1 Ų172.188%0.87882%0.818SS**  -177.2124.5118.1-106.9175.5175.6177.30112.5
188K36.9Very low38.1Very low212 Ų212175.9 Ų175.992%0.92283%0.834SS**  trans-57.3132.7159.5-91.3173.8169.3173.30109.9
189Q40.5Very low38.6Very low197 Ų197175 Ų17592%0.92184%0.839SS**  trans-129.2118.6155.3-91.6-174.917.800110.4
190Q39.5Very low38.9Very low184 Ų184171.6 Ų171.686%0.8684%0.837SS**  trans-113.1114.1169.3177.6-175.741.600104.7
191Q42.9Very low39Very low187 Ų187171.3 Ų171.387%0.87484%0.84SS**  trans169.1129.8167.6-97.7160.844.600105.4
192Q42.6Very low39Very low182 Ų182173 Ų17385%0.8585%0.847SS**  -151.4127.859.2-75.5175.1-6.100111.9
193R39.5Very low39.4Very low206 Ų206174.8 Ų174.878%0.77784%0.841SS**  trans-72142.8153.7-59.9163.795.2-17911.1107.7
194R40.6Very low39.5Very low255 Ų255173.9 Ų173.996%0.96284%0.837SS**  trans-139.2108.1144-112-178.3170.3-165.2-3.6111.5
195R40.7Very low39.8Very low188 Ų188177 Ų17771%0.70984%0.842SS**  trans-92.1154.7172.7-110.9177.6163.7-173-4.9108.8
196K40.4Very low40.2Very low182 Ų182174.4 Ų174.479%0.79184%0.838SS**  trans76122152-71.2174169.8-1730117.9
197K40.6Very low40.6Very low203 Ų203174.2 Ų174.288%0.88384%0.835SS**  -169142.186.7-91.3174.3179-176.80111.1
198P35.7Very low41.1Very low123 Ų123172 Ų17280%0.79983%0.833SS**  trans-102.1152.117337.6-28.8000112.3
199M40.5Very low41.7Very low172 Ų172168.3 Ų168.385%0.84783%0.827SS**  trans-167.1108.1156.1-158.5161.3163.600107.7
200L41.9Very low41.9Very low156 Ų156165.9 Ų165.982%0.81782%0.82SS**  41.6116.3116.7-58.7168.3000112.7
201T34.5Very low42.2Very low128 Ų128165.2 Ų165.279%0.78582%0.818SS**  -159.7124.971.360.10000110.6
202S37.3Very low42.2Very low111 Ų111159 Ų15978%0.77680%0.803SS**  48107.5106-164.50000116.2
203V44.9Very low42.6Very low122 Ų122159 Ų15974%0.73980%0.803SS**  170.4111.6119.8154.70000108.7
204E39.5Very low43Very low178 Ų178155.6 Ų155.683%0.83280%0.801SS**  trans22.4120.8142.8-42.3-166141.100118.8
205T42.4Very low43.2Very low139 Ų139151 Ų15185%0.85380%0.795SS**  -174130123-63.80000107.9
206D45.3Very low43.7Very low150 Ų150147.9 Ų147.980%0.80279%0.793SS**  trans-56.1176.5174-66-83.8000113.8
207E47.8Very low43.8Very low182 Ų182142.2 Ų142.285%0.8579%0.786SS**  trans101.493.7173-52.9-179.8176.800115.4
208D49.5Very low44.3Very low156 Ų156140 Ų14083%0.83478%0.781SS**  172.9108.5118.9-115.5-49.9000109.9N210D208-N210 PolarHBondContact O-N 3.46Å; D208-N210 VanDerWaalsContact O-N 3.17Å
209V49.3Very low44.7Very low133 Ų133142 Ų14281%0.80678%0.784SS**  trans-80.293.1164.8178.80000106.8E211V209-E211 HydrophobicContact CG1-CG 4.35Å; V209-E211 PolarHBondContact O-N 2.91Å
210N45.1Very low44.9Very low146 Ų146141.4 Ų141.478%0.78179%0.785SS**  trans-80.898.9170.6-178.615.2000109D208D208-N210 PolarHBondContact O-N 3.46Å; D208-N210 VanDerWaalsContact O-N 3.17Å
211E46.2Very low44.8Very low171 Ų171137.2 Ų137.280%0.79978%0.78SS**  trans-76.2118.6165.7-69.4-171.3159.900109V209V209-E211 HydrophobicContact CG1-CG 4.35Å; V209-E211 PolarHBondContact O-N 2.91Å
212G42Very low45Very low56 Ų56139 Ų13958%0.57778%0.784SS**  trans-78.1-151.9176.100000113.1
213E50.2Low45Very low181 Ų181137.1 Ų137.185%0.84678%0.783SS**  trans87.1113.1178.6-51.2178.613600113.3
214D47.8Very low44.6Very low135 Ų135134.8 Ų134.872%0.72278%0.784SS**  cis-154.8136.812.6-73.5-51.1000110.8
215D46.5Very low44.5Very low158 Ų158132.7 Ų132.785%0.84579%0.789SS**  trans-97.5105.7160.5176.553.3000106.8
216D49.8Very low44.2Very low123 Ų123129.7 Ų129.766%0.65879%0.785SS**  trans-119.386.5167.8-83.3-45.4000109.6M218D216-M218 HydrophobicContact CB-SD 4.01Å; D216-M218 PolarHBondContact O-N 3.02Å
217G42.2Very low44.1Very low63 Ų63130.3 Ų130.365%0.64979%0.787SS**  trans-70.7102.2153.400000110.3
218M51.5Low43.5Very low157 Ų157125.6 Ų125.677%0.77379%0.788SS**  trans-110.282154.7-82.578.6-16300109.3D216D216-M218 HydrophobicContact CB-SD 4.01Å; D216-M218 PolarHBondContact O-N 3.02Å
219D43.6Very low43.3Very low164 Ų164124.4 Ų124.488%0.87779%0.786SS**  trans-81.5102.8143.6178.635.8000106.6
220N45.9Very low42.8Very low160 Ų160126.5 Ų126.586%0.85679%0.787SS**  trans-153.8132.7154.2-144.25000111.9
221G38.6Very low43.3Very low69 Ų69129.5 Ų129.571%0.71179%0.787SS**  trans-57.8144.8-164.300000117.2
222N40.2Very low44.2Very low164 Ų164129.3 Ų129.388%0.87779%0.787SS**  trans-142.1108.3131.7-169.940.5000109.1
223G37.2Very low45.9Very low73 Ų73137.9 Ų137.975%0.75380%0.801SS**  trans-75.4140.9174.300000111
224G37.1Very low47.6Very low73 Ų73132.7 Ų132.775%0.75378%0.777SS**  trans159.785169.800000114.4
225S37Very low49.6Very low134 Ų134130 Ų13094%0.93776%0.76SS**  trans53106.5150.4-730000120
226G35.8Very low51.8Low75 Ų75125.8 Ų125.877%0.77374%0.742SS**SBendtrans161.490.1155.500000113.5
227L42.8Very low54Low164 Ų164121 Ų12186%0.85972%0.715SS**  trans55.989.8169.9-64.7161.6000114.4T229L227-T229 VanDerWaalsContact C-N 3.25Å; L227-T229 PolarHBondContact O-N 2.83Å
228G36Very low56.6Low83 Ų83120.6 Ų120.686%0.85670%0.697SS**  trans-57.689.9166.200000110.4E230G228-E230 PolarHBondContact O-N 3.03Å
229T44.3Very low58.7Low130 Ų130113.9 Ų113.980%0.79867%0.665SS**  trans-69.975.3153.2-10.50000104.9L227 R231L227-T229 VanDerWaalsContact C-N 3.25Å; L227-T229 PolarHBondContact O-N 2.83Å; T229-R231 PolarHBondContact O-N 2.85Å
230E40.1Very low61.1Low177 Ų177106.1 Ų106.183%0.82762%0.624SS**  trans-46.6114.3166-176.2165.2-17100105.1G228 Q232G228-E230 PolarHBondContact O-N 3.03Å; E230-Q232 PolarHBondContact O-N 3.24Å
231R55Low63.4Low210 Ų210102.1 Ų102.179%0.79260%0.6SS**  trans-64.791.7-179.6-72.7-171.3-174.5-174.17.9106T229 R233T229-R231 PolarHBondContact O-N 2.85Å; R231-R233 PolarHBondContact O-N 3.04Å
232Q64.2Low66Low167 Ų167101 Ų10178%0.7858%0.58SS**  trans-57.8103.2178.4-158.7172.30.500105.3E230 E234E230-Q232 PolarHBondContact O-N 3.24Å; Q232-E234 PolarHBondContact O-N 3.43Å
233R77.8Confident68.6Low235 Ų23596.4 Ų96.489%0.88757%0.572SS**PPolyproline II helixtrans-60.6118.2-178.7-85.7-175.4178-108.43.6107R231 H235R231-R233 PolarHBondContact O-N 3.04Å; R233-H235 PolarHBondContact O-N 3.04Å
234E85.4Confident71.2Confident73 Ų7395.9 Ų95.934%0.34155%0.549SS..PPolyproline II helixtrans-49.2138.3176.9-65.3-58.2136.300111.3Q232 Y300Q232-E234 PolarHBondContact O-N 3.43Å; E234-Y300 WeakPolarHBondContact OE1-CB 3.24Å
235H90.7Very high73.8Confident78 Ų7898.4 Ų98.436%0.36155%0.55SS..PPolyproline II helixtrans-59.6138.1174.1-68.5-39.1000110.6R233 K249 N251R233-H235 PolarHBondContact O-N 3.04Å; H235-K249 WeakPolarHBondContact CB-O 3.35Å; H235-K249 VanDerWaalsContact CG-C 3.49Å; H235-N251 PolarHBondContact O-ND2 3.41Å
236P93.6Very high76.5Confident70 Ų7092.7 Ų92.746%0.45551%0.511SS..PPolyproline II helixtrans-65.7147.6179.727.8-33.9000110.1K250 N251P236-K250 HydrophobicContact CG-CD 3.82Å; P236-K250 WeakPolarHBondContact O-CA 3.21Å; P236-N251 PolarHBondContact O-N 3.34Å
237F95.9Very high79.1Confident23 Ų2399.7 Ų99.710%0.10151%0.514CS..BIsolated β-bridgetrans-71.5150.7176.2-61.9-73.5000111.3N251 Y255 L256 L259 K305 Y309 V337F237-N251 CarbonylContact C-O 3.31Å; F237-N251 VanDerWaalsContact CA-O 3.27Å; F237-N251 WeakPolarHBondContact CA-O 3.31Å; F237-N251 HydrophobicContact CD1-CB 3.5Å; F237-N251 HydrophobicContact CE1-CB 3.68Å; F237-N251 HydrophobicContact CG-CB 4.42Å; F237-Y255 HydrophobicContact CE1-CD1 4.06Å; F237-L256 HydrophobicContact CD1-CB 3.98Å; F237-L256 HydrophobicContact CE1-CB 3.65Å; F237-L256 HydrophobicContact CE1-CD1 4.18Å; F237-L256 HydrophobicContact CE1-CG 4.44Å; F237-L256 HydrophobicContact CE2-CD1 3.91Å; F237-L256 HydrophobicContact CZ-CB 4.09Å; F237-L256 HydrophobicContact CZ-CD1 3.71Å; F237-L256 HydrophobicContact CZ-CG 4.44Å; F237-L259 HydrophobicContact CZ-CD1 4.19Å; F237-K305 HydrophobicContact CE2-CD 3.89Å; F237-K305 HydrophobicContact CE2-CG 4.28Å; F237-K305 HydrophobicContact CZ-CD 4.26Å; F237-Y309 HydrophobicContact CD2-CE2 4.21Å; F237-Y309 HydrophobicContact CE2-CE2 4.35Å; F237-V337 HydrophobicContact CB-CG1 4.45Å; F237-V337 HydrophobicContact CB-CG2 4.26Å; F237-V337 WeakPolarHBondContact O-CG2 3.41Å
238I95.3Very high81.3Confident54 Ų5495.3 Ų95.328%0.27751%0.509SS..  trans-127.4155.9167.459.4171.7000109.4T240 A246 K250 N251 L253 V337I238-T240 HydrophobicContact CD1-CG2 4.23Å; I238-T240 HydrophobicContact CG1-CG2 3.9Å; I238-T240 PolarHBondContact O-N 3.21Å; I238-A246 HydrophobicContact CD1-CB 3.73Å; I238-A246 HydrophobicContact CG1-CB 3.87Å; I238-K250 HydrophobicContact CD1-CB 3.87Å; I238-K250 HydrophobicContact CD1-CG 4.28Å; I238-K250 HydrophobicContact CG1-CB 4.02Å; I238-K250 HydrophobicContact CG2-CB 4.03Å; I238-K250 HydrophobicContact CG2-CD 3.72Å; I238-K250 HydrophobicContact CG2-CG 3.88Å; I238-N251 PolarHBondContact N-O 2.81Å; I238-L253 WeakPolarHBondContact O-CG 3.14Å; I238-V337 VanDerWaalsContact CA-CG2 3.48Å
239V95.9Very high84Confident16 Ų1699.2 Ų99.210%0.09750%0.502CS..  trans-71.3116.2175.1-1760000108.2L253 F330 K331 V337 W340V239-L253 HydrophobicContact CB-CD1 4.4Å; V239-L253 HydrophobicContact CG1-CD1 4.03Å; V239-F330 HydrophobicContact CG1-CB 4.03Å; V239-K331 HydrophobicContact CG1-CB 4.2Å; V239-V337 HydrophobicContact CG2-CG2 4.01Å; V239-W340 HydrophobicContact CG1-CG 4.5Å; V239-W340 HydrophobicContact CG2-CB 3.7Å; V239-W340 HydrophobicContact CG2-CG 4.06Å
240T95.4Very high86.4Confident1 Ų197.3 Ų97.31%0.00648%0.483CS..  trans-118.8150.8176.461.50000110.7I238 E244 A246 L253 R327I238-T240 HydrophobicContact CD1-CG2 4.23Å; I238-T240 HydrophobicContact CG1-CG2 3.9Å; I238-T240 PolarHBondContact O-N 3.21Å; T240-E244 WeakPolarHBondContact CA-OE2 3.03Å; T240-A246 HydrophobicContact CG2-CB 4.04Å; T240-L253 PolarHBondContact OG1-N 3.36Å; T240-R327 PolarHBondContact O-NE 3.07Å; T240-R327 PolarHBondContact O-NH2 2.75Å; T240-R327 PolarHBondContact OG1-NH2 2.97Å
241E92.8Very high89Confident75 Ų7590.2 Ų90.235%0.3545%0.451SS..  trans-65.3158.5167.4-81.6172-128.500111.7G243 E244 R327 R328 K331E241-G243 PolarHBondContact O-N 3.3Å; E241-E244 HydrophobicContact CB-CB 4.04Å; E241-E244 PolarHBondContact N-OE2 3.29Å; E241-E244 WeakPolarHBondContact O-CB 3.44Å; E241-E244 PolarHBondContact O-N 2.71Å; E241-R327 PolarHBondContact O-NH2 2.82Å; E241-R328 HydrophobicContact CG-CG 3.89Å; E241-K331 HydrophobicContact CB-CD 4.39Å; E241-K331 VanDerWaalsContact CD-NZ 3.33Å; E241-K331 HydrophobicContact CG-CD 3.63Å; E241-K331 VanDerWaalsContact OE1-CD 3.29Å; E241-K331 WeakPolarHBondContact OE1-CD 3.3Å; E241-K331 WeakPolarHBondContact OE1-CE 3.33Å; E241-K331 IonicContact OE1-NZ 2.63Å; E241-K331 PolarHBondContact OE1-NZ 2.91Å
242P94.5Very high90.9Very high45 Ų4580.6 Ų80.629%0.29242%0.417SS..THydrogen-bonded Turntrans-57.9123.4174.6-21.133.4000111E244 N324P242-E244 VanDerWaalsContact C-N 3.27Å; P242-E244 PolarHBondContact O-N 3.32Å; P242-N324 HydrophobicContact CG-CB 3.72Å; P242-N324 VanDerWaalsContact CG-CG 3.41Å; P242-N324 VanDerWaalsContact CG-OD1 3.25Å; P242-N324 WeakPolarHBondContact CG-OD1 3.34Å
243G93.2Very high92.5Very high69 Ų6972.6 Ų72.671%0.71138%0.38SS*.THydrogen-bonded Turntrans82.2-3.6-178.200000114.6E241 V245 D254E241-G243 PolarHBondContact O-N 3.3Å; G243-V245 PolarHBondContact O-N 3.1Å; G243-D254 PolarHBondContact N-OD2 2.88Å
244E92Very high93.3Very high61 Ų6163.8 Ų63.829%0.28535%0.35SS..PPolyproline II helixtrans-80.2121.5176177-173.8-158.200111.1T240 E241 P242 K331T240-E244 WeakPolarHBondContact CA-OE2 3.03Å; E241-E244 HydrophobicContact CB-CB 4.04Å; E241-E244 PolarHBondContact N-OE2 3.29Å; E241-E244 WeakPolarHBondContact O-CB 3.44Å; E241-E244 PolarHBondContact O-N 2.71Å; P242-E244 VanDerWaalsContact C-N 3.27Å; P242-E244 PolarHBondContact O-N 3.32Å; E244-K331 VanDerWaalsContact OE1-CE 3.27Å; E244-K331 WeakPolarHBondContact OE1-CE 3.47Å; E244-K331 IonicContact OE1-NZ 3.51Å; E244-K331 PolarHBondContact OE1-NZ 3Å; E244-K331 WeakPolarHBondContact OE2-CD 3.48Å; E244-K331 WeakPolarHBondContact OE2-CE 3.28Å; E244-K331 IonicContact OE2-NZ 3.38Å; E244-K331 PolarHBondContact OE2-NZ 3.44Å
245V92.8Very high93.9Very high126 Ų12663.8 Ų63.876%0.76435%0.348SS*.PPolyproline II helixtrans-76.7123.6171.3-175.40000109.5G243 R247G243-V245 PolarHBondContact O-N 3.1Å; V245-R247 PolarHBondContact O-N 3.19Å
246A92.3Very high94.2Very high15 Ų1560.1 Ų60.112%0.12433%0.33CS..PPolyproline II helixtrans-59.4134.2177.500000111.5I238 T240 K250I238-A246 HydrophobicContact CD1-CB 3.73Å; I238-A246 HydrophobicContact CG1-CB 3.87Å; T240-A246 HydrophobicContact CG2-CB 4.04Å; A246-K250 HydrophobicContact CB-CB 4.16Å; A246-K250 WeakPolarHBondContact CB-O 3.4Å
247R90.5Very high94.3Very high221 Ų22157 Ų5783%0.83431%0.31SS*.PPolyproline II helixtrans-84.1141.4178.8-65.4-177.1178.7175.1-0.4111.6V245V245-R247 PolarHBondContact O-N 3.19Å
248G90.6Very high94.3Very high73 Ų7359.7 Ų59.775%0.75332%0.322SS*.SBendtrans75-15317500000113.7K250G248-K250 PolarHBondContact O-N 3.04Å
249K92.3Very high94.4Very high164 Ų16457.1 Ų57.171%0.71331%0.309SS*.SBendtrans-78.253.4179.5-67.8-176.2-178.9-178.70111.8H235H235-K249 WeakPolarHBondContact CB-O 3.35Å; H235-K249 VanDerWaalsContact CG-C 3.49Å
250K94.1Very high94.5Very high90 Ų9056.3 Ų56.339%0.39131%0.305SS..  trans-137.9148.8-174.6-60.4-62.6-172170.70110.2P236 I238 A246 G248P236-K250 HydrophobicContact CG-CD 3.82Å; P236-K250 WeakPolarHBondContact O-CA 3.21Å; I238-K250 HydrophobicContact CD1-CB 3.87Å; I238-K250 HydrophobicContact CD1-CG 4.28Å; I238-K250 HydrophobicContact CG1-CB 4.02Å; I238-K250 HydrophobicContact CG2-CB 4.03Å; I238-K250 HydrophobicContact CG2-CD 3.72Å; I238-K250 HydrophobicContact CG2-CG 3.88Å; A246-K250 HydrophobicContact CB-CB 4.16Å; A246-K250 WeakPolarHBondContact CB-O 3.4Å; G248-K250 PolarHBondContact O-N 3.04Å
251N94.6Very high94.5Very high28 Ų2859.2 Ų59.215%0.1532%0.318CS..BIsolated β-bridgetrans-104.9140.7175.3-75.3-32.6000110.7H235 P236 F237 I238 Y255H235-N251 PolarHBondContact O-ND2 3.41Å; P236-N251 PolarHBondContact O-N 3.34Å; F237-N251 CarbonylContact C-O 3.31Å; F237-N251 VanDerWaalsContact CA-O 3.27Å; F237-N251 WeakPolarHBondContact CA-O 3.31Å; F237-N251 HydrophobicContact CD1-CB 3.5Å; F237-N251 HydrophobicContact CE1-CB 3.68Å; F237-N251 HydrophobicContact CG-CB 4.42Å; I238-N251 PolarHBondContact N-O 2.81Å; N251-Y255 HydrophobicContact CB-CD1 4.01Å
252G95.4Very high94.7Very high8 Ų857 Ų578%0.08231%0.308CS..  trans-81.4167.3176.800000113.2Y255 L256G252-Y255 PolarHBondContact O-N 2.87Å; G252-L256 PolarHBondContact O-N 3Å
253L96.6Very high94.7Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-72.7-29.1177.6-63-178.3000112.8I238 V239 T240 Y255 L256 F257 R327 W340I238-L253 WeakPolarHBondContact O-CG 3.14Å; V239-L253 HydrophobicContact CB-CD1 4.4Å; V239-L253 HydrophobicContact CG1-CD1 4.03Å; T240-L253 PolarHBondContact OG1-N 3.36Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 2.95Å; L253-L256 HydrophobicContact CD2-CD2 4.21Å; L253-L256 VanDerWaalsContact O-CB 3.31Å; L253-L256 WeakPolarHBondContact O-CB 3.38Å; L253-L256 PolarHBondContact O-N 3.26Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L253-F257 HydrophobicContact CB-CE2 4.5Å; L253-F257 WeakPolarHBondContact O-CD2 3.28Å; L253-F257 WeakPolarHBondContact O-CG 3.28Å; L253-F257 PolarHBondContact O-N 2.9Å; L253-R327 HydrophobicContact CD1-CG 3.82Å; L253-W340 HydrophobicContact CD1-CD2 4.01Å; L253-W340 HydrophobicContact CD1-CE3 4.3Å; L253-W340 HydrophobicContact CD1-CH2 3.88Å; L253-W340 HydrophobicContact CD1-CZ2 3.59Å; L253-W340 HydrophobicContact CD1-CZ3 4.23Å; L253-W340 HydrophobicContact CD2-CE3 4.1Å; L253-W340 HydrophobicContact CD2-CH2 3.68Å; L253-W340 HydrophobicContact CD2-CZ2 4.28Å; L253-W340 HydrophobicContact CD2-CZ3 3.58Å; L253-W340 HydrophobicContact CG-CH2 4.3Å; L253-W340 HydrophobicContact CG-CZ2 4.46Å
254D96.4Very high94.9Very high50 Ų5056.4 Ų56.427%0.26728%0.278SS..Hα-helixtrans-65.2-39.1174-63-49.1000111.2G243 L256 F257 H258 R327G243-D254 PolarHBondContact N-OD2 2.88Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.07Å; D254-F257 PolarHBondContact O-N 3.45Å; D254-H258 WeakPolarHBondContact O-CB 3.5Å; D254-H258 PolarHBondContact O-N 2.85Å; D254-R327 IonicContact OD1-CZ 3.22Å; D254-R327 VanDerWaalsContact OD1-CZ 3.3Å; D254-R327 IonicContact OD1-NH1 2.73Å; D254-R327 PolarHBondContact OD1-NH1 3.26Å; D254-R327 IonicContact OD1-NH2 2.9Å; D254-R327 PolarHBondContact OD1-NH2 2.95Å; D254-R327 IonicContact OD2-CZ 2.71Å; D254-R327 IonicContact OD2-NH1 2.9Å; D254-R327 IonicContact OD2-NH2 2.67Å; D254-R327 PolarHBondContact OD2-NH2 3.18Å
255Y96.6Very high95.1Very high73 Ų7358.6 Ų58.629%0.28629%0.288SS..Hα-helixtrans-61.8-41.8171.8-179.4-108.1000111.2F237 N251 G252 L253 F257 H258 L259F237-Y255 HydrophobicContact CE1-CD1 4.06Å; N251-Y255 HydrophobicContact CB-CD1 4.01Å; G252-Y255 PolarHBondContact O-N 2.87Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 2.95Å; Y255-F257 VanDerWaalsContact C-N 3.33Å; Y255-F257 PolarHBondContact O-N 2.67Å; Y255-H258 WeakPolarHBondContact O-CB 3.35Å; Y255-H258 PolarHBondContact O-N 2.94Å; Y255-L259 HydrophobicContact CE1-CD1 4.21Å; Y255-L259 HydrophobicContact CE1-CD2 4.08Å; Y255-L259 HydrophobicContact CE1-CG 4.29Å; Y255-L259 HydrophobicContact CE2-CD2 4.22Å; Y255-L259 WeakPolarHBondContact O-CG 3.39Å; Y255-L259 PolarHBondContact O-N 3.47Å; Y255-L259 VanDerWaalsContact O-N 3.08Å
256L96.8Very high95.2Very high0 Ų053.6 Ų53.60%026%0.256CS..Hα-helixtrans-57.1-45.2174172.964.1000111.8F237 G252 L253 D254 L259 Y260 Y309 W340F237-L256 HydrophobicContact CD1-CB 3.98Å; F237-L256 HydrophobicContact CE1-CB 3.65Å; F237-L256 HydrophobicContact CE1-CD1 4.18Å; F237-L256 HydrophobicContact CE1-CG 4.44Å; F237-L256 HydrophobicContact CE2-CD1 3.91Å; F237-L256 HydrophobicContact CZ-CB 4.09Å; F237-L256 HydrophobicContact CZ-CD1 3.71Å; F237-L256 HydrophobicContact CZ-CG 4.44Å; G252-L256 PolarHBondContact O-N 3Å; L253-L256 HydrophobicContact CD2-CD2 4.21Å; L253-L256 VanDerWaalsContact O-CB 3.31Å; L253-L256 WeakPolarHBondContact O-CB 3.38Å; L253-L256 PolarHBondContact O-N 3.26Å; L253-L256 VanDerWaalsContact O-N 3.16Å; D254-L256 VanDerWaalsContact C-N 3.32Å; D254-L256 PolarHBondContact O-N 3.07Å; L256-L259 WeakPolarHBondContact O-CB 3.4Å; L256-L259 PolarHBondContact O-N 3.5Å; L256-Y260 HydrophobicContact CD1-CE2 4.02Å; L256-Y260 HydrophobicContact CG-CE2 4.27Å; L256-Y260 WeakPolarHBondContact O-CD2 3.25Å; L256-Y309 HydrophobicContact CD1-CD2 3.98Å; L256-Y309 HydrophobicContact CD1-CG 4.14Å; L256-Y309 HydrophobicContact CD2-CD1 3.85Å; L256-Y309 HydrophobicContact CD2-CD2 4.24Å; L256-Y309 HydrophobicContact CD2-CE1 4.41Å; L256-Y309 HydrophobicContact CD2-CG 3.75Å; L256-W340 HydrophobicContact CD2-CH2 4.33Å; L256-W340 HydrophobicContact CD2-CZ3 4.38Å
257F96.7Very high95.4Very high5 Ų553 Ų532%0.02225%0.251CS..Hα-helixtrans-67.9-37.2178.1-59.7-33.5000112.3L253 D254 Y255 L259 Y260 E261 C312 Y313 H316 W340L253-F257 HydrophobicContact CB-CE2 4.5Å; L253-F257 WeakPolarHBondContact O-CD2 3.28Å; L253-F257 WeakPolarHBondContact O-CG 3.28Å; L253-F257 PolarHBondContact O-N 2.9Å; D254-F257 PolarHBondContact O-N 3.45Å; Y255-F257 VanDerWaalsContact C-N 3.33Å; Y255-F257 PolarHBondContact O-N 2.67Å; F257-L259 VanDerWaalsContact C-N 3.25Å; F257-L259 PolarHBondContact O-N 3.48Å; F257-Y260 WeakPolarHBondContact O-CB 3.41Å; F257-Y260 PolarHBondContact O-N 2.65Å; F257-E261 PolarHBondContact O-N 3.45Å; F257-C312 HydrophobicContact CE1-CB 4.35Å; F257-Y313 HydrophobicContact CB-CD2 4.19Å; F257-Y313 HydrophobicContact CB-CE2 4.47Å; F257-Y313 AromaticContact CD1-CD2 3.94Å; F257-Y313 HydrophobicContact CD1-CD2 3.94Å; F257-Y313 HydrophobicContact CG-CD2 4.34Å; F257-H316 HydrophobicContact CD2-CB 4.39Å; F257-H316 AromaticContact CD2-CD2 3.8Å; F257-H316 AromaticContact CD2-CG 3.89Å; F257-H316 HydrophobicContact CE1-CB 4.3Å; F257-H316 HydrophobicContact CE2-CB 4.07Å; F257-H316 AromaticContact CE2-CG 3.9Å; F257-H316 AromaticContact CG-CD2 3.97Å; F257-H316 HydrophobicContact CZ-CB 4.01Å; F257-W340 HydrophobicContact CE1-CH2 4.35Å; F257-W340 HydrophobicContact CZ-CH2 4.19Å; F257-W340 HydrophobicContact CZ-CZ2 4.09Å
258H96.4Very high95.7Very high79 Ų7946 Ų4637%0.36623%0.23SC..Hα-helixtrans-58.8-36173.1-176.964.8000112.5D254 Y255 Y260 E261 Q262D254-H258 WeakPolarHBondContact O-CB 3.5Å; D254-H258 PolarHBondContact O-N 2.85Å; Y255-H258 WeakPolarHBondContact O-CB 3.35Å; Y255-H258 PolarHBondContact O-N 2.94Å; H258-Y260 PolarHBondContact O-N 3.2Å; H258-E261 IonicContact ND1-OE2 3.3Å; H258-E261 WeakPolarHBondContact O-CB 3.14Å; H258-E261 PolarHBondContact O-N 3.16Å; H258-Q262 WeakPolarHBondContact O-CG 3.44Å; H258-Q262 PolarHBondContact O-N 3.02Å
259L96.4Very high95.9Very high0 Ų046 Ų460%021%0.21CC..Hα-helixtrans-59.2-30.6174.1-61.1-176.4000112.9F237 Y255 L256 F257 C263 Y300 I301 M306F237-L259 HydrophobicContact CZ-CD1 4.19Å; Y255-L259 HydrophobicContact CE1-CD1 4.21Å; Y255-L259 HydrophobicContact CE1-CD2 4.08Å; Y255-L259 HydrophobicContact CE1-CG 4.29Å; Y255-L259 HydrophobicContact CE2-CD2 4.22Å; Y255-L259 WeakPolarHBondContact O-CG 3.39Å; Y255-L259 PolarHBondContact O-N 3.47Å; Y255-L259 VanDerWaalsContact O-N 3.08Å; L256-L259 WeakPolarHBondContact O-CB 3.4Å; L256-L259 PolarHBondContact O-N 3.5Å; F257-L259 VanDerWaalsContact C-N 3.25Å; F257-L259 PolarHBondContact O-N 3.48Å; L259-C263 PolarHBondContact O-N 3.25Å; L259-C263 VanDerWaalsContact O-N 3.07Å; L259-C263 PolarHBondContact O-SG 3.45Å; L259-Y300 HydrophobicContact CD2-CD2 3.51Å; L259-Y300 HydrophobicContact CD2-CE2 3.57Å; L259-I301 HydrophobicContact CD2-CG1 4.3Å; L259-M306 HydrophobicContact CB-CE 3.88Å; L259-M306 HydrophobicContact CB-SD 3.99Å; L259-M306 HydrophobicContact CD1-SD 4.5Å; L259-M306 WeakPolarHBondContact O-CE 3.45Å
260Y97.4Very high96Very high0 Ų038.3 Ų38.30%018%0.177CC..Hα-helixtrans-72.8-36.8175.3-72.3-93.9000111.7L256 F257 H258 C263 R264 M306 Y309 V310 Y313 W372L256-Y260 HydrophobicContact CD1-CE2 4.02Å; L256-Y260 HydrophobicContact CG-CE2 4.27Å; L256-Y260 WeakPolarHBondContact O-CD2 3.25Å; F257-Y260 WeakPolarHBondContact O-CB 3.41Å; F257-Y260 PolarHBondContact O-N 2.65Å; H258-Y260 PolarHBondContact O-N 3.2Å; Y260-C263 WeakPolarHBondContact O-CB 3.38Å; Y260-C263 PolarHBondContact O-N 2.88Å; Y260-R264 PolarHBondContact O-N 3.37Å; Y260-R264 VanDerWaalsContact O-N 3.09Å; Y260-M306 HydrophobicContact CD1-CE 3.59Å; Y260-M306 HydrophobicContact CD2-CE 3.55Å; Y260-M306 HydrophobicContact CE1-CE 3.64Å; Y260-M306 HydrophobicContact CE2-CE 3.63Å; Y260-M306 HydrophobicContact CG-CE 3.5Å; Y260-M306 VanDerWaalsContact CG-CE 3.5Å; Y260-M306 PolarHBondContact OH-O 3.36Å; Y260-Y309 WeakPolarHBondContact OH-CA 3.46Å; Y260-Y309 VanDerWaalsContact OH-CB 3.24Å; Y260-Y309 WeakPolarHBondContact OH-CB 3.36Å; Y260-Y309 PolarHBondContact OH-O 2.82Å; Y260-V310 HydrophobicContact CE1-CB 3.95Å; Y260-V310 HydrophobicContact CE1-CG2 4.09Å; Y260-V310 PolarHBondContact OH-N 3.4Å; Y260-Y313 AromaticContact CD1-CD1 3.55Å; Y260-Y313 HydrophobicContact CD1-CD1 3.55Å; Y260-Y313 HydrophobicContact CD1-CD2 4.46Å; Y260-Y313 HydrophobicContact CD1-CE1 4.15Å; Y260-Y313 AromaticContact CD1-CG 3.72Å; Y260-Y313 HydrophobicContact CD1-CG 3.72Å; Y260-Y313 HydrophobicContact CD2-CD1 4.44Å; Y260-Y313 AromaticContact CD2-CD2 3.93Å; Y260-Y313 HydrophobicContact CD2-CD2 3.93Å; Y260-Y313 AromaticContact CD2-CG 3.82Å; Y260-Y313 HydrophobicContact CD2-CG 3.82Å; Y260-Y313 HydrophobicContact CE1-CD1 4.34Å; Y260-Y313 HydrophobicContact CE1-CG 4.34Å; Y260-Y313 HydrophobicContact CE2-CG 4.39Å; Y260-Y313 AromaticContact CG-CD1 3.67Å; Y260-Y313 HydrophobicContact CG-CD1 3.67Å; Y260-Y313 AromaticContact CG-CD2 3.78Å; Y260-Y313 HydrophobicContact CG-CD2 3.78Å; Y260-Y313 HydrophobicContact CG-CE1 4.1Å; Y260-Y313 HydrophobicContact CG-CE2 4.2Å; Y260-Y313 AromaticContact CG-CG 3.48Å; Y260-Y313 HydrophobicContact CG-CG 3.48Å; Y260-Y313 VanDerWaalsContact CG-CG 3.48Å; Y260-W372 HydrophobicContact CD1-CD2 4.16Å; Y260-W372 AromaticContact CD1-CE2 3.55Å; Y260-W372 HydrophobicContact CD1-CE3 4.46Å; Y260-W372 AromaticContact CD1-CH2 3.69Å; Y260-W372 HydrophobicContact CD1-CH2 3.69Å; Y260-W372 AromaticContact CD1-CZ2 3.32Å; Y260-W372 HydrophobicContact CD1-CZ2 3.32Å; Y260-W372 HydrophobicContact CD1-CZ3 4.25Å; Y260-W372 HydrophobicContact CE1-CD2 4.45Å; Y260-W372 HydrophobicContact CE1-CE3 4.38Å; Y260-W372 AromaticContact CE1-CH2 3.98Å; Y260-W372 HydrophobicContact CE1-CH2 3.98Å; Y260-W372 HydrophobicContact CE1-CZ2 4.05Å; Y260-W372 HydrophobicContact CE1-CZ3 4.15Å; Y260-W372 HydrophobicContact CG-CZ2 4.13Å
261E96.3Very high96.1Very high62 Ų6235.7 Ų35.729%0.2917%0.166SC..Hα-helixtrans-66.2-43.3174.6-61.8-174.5152.900111.1F257 H258 C263 R264 E265 R368F257-E261 PolarHBondContact O-N 3.45Å; H258-E261 IonicContact ND1-OE2 3.3Å; H258-E261 WeakPolarHBondContact O-CB 3.14Å; H258-E261 PolarHBondContact O-N 3.16Å; E261-C263 VanDerWaalsContact C-N 3.34Å; E261-C263 PolarHBondContact O-N 3.25Å; E261-R264 WeakPolarHBondContact O-CA 3.21Å; E261-R264 VanDerWaalsContact O-CB 3.26Å; E261-R264 WeakPolarHBondContact O-CB 3.45Å; E261-R264 PolarHBondContact O-N 3.49Å; E261-E265 PolarHBondContact O-N 2.85Å; E261-R368 IonicContact OE1-CZ 3.65Å; E261-R368 IonicContact OE1-NH1 3.05Å; E261-R368 PolarHBondContact OE1-NH1 3.44Å; E261-R368 IonicContact OE1-NH2 2.8Å
262Q95.9Very high96.1Very high29 Ų2938 Ų3814%0.13618%0.182CC..Hα-helixtrans-60.8-41.4173.1-68.1-177.4-52.100112H258 R264 E265 F266 Y300 I301H258-Q262 WeakPolarHBondContact O-CG 3.44Å; H258-Q262 PolarHBondContact O-N 3.02Å; Q262-R264 PolarHBondContact O-N 3.08Å; Q262-E265 WeakPolarHBondContact O-CB 3.38Å; Q262-E265 PolarHBondContact O-N 3.08Å; Q262-E265 VanDerWaalsContact O-N 3.14Å; Q262-F266 HydrophobicContact CB-CE2 4.25Å; Q262-F266 WeakPolarHBondContact O-CD2 3.4Å; Q262-F266 PolarHBondContact O-N 3.3Å; Q262-Y300 PolarHBondContact NE2-OH 3.07Å; Q262-Y300 VanDerWaalsContact OE1-CE2 3.29Å; Q262-I301 HydrophobicContact CB-CD1 3.97Å
263C96.3Very high96.1Very high1 Ų139.8 Ų39.81%0.00719%0.189CC..Hα-helixtrans-59.6-34.4173.4-740000112.7L259 Y260 E261 L267 I301 W372L259-C263 PolarHBondContact O-N 3.25Å; L259-C263 VanDerWaalsContact O-N 3.07Å; L259-C263 PolarHBondContact O-SG 3.45Å; Y260-C263 WeakPolarHBondContact O-CB 3.38Å; Y260-C263 PolarHBondContact O-N 2.88Å; E261-C263 VanDerWaalsContact C-N 3.34Å; E261-C263 PolarHBondContact O-N 3.25Å; C263-L267 WeakPolarHBondContact O-CB 3.46Å; C263-L267 PolarHBondContact O-N 3.06Å; C263-I301 WeakPolarHBondContact SG-CG2 3.42Å; C263-W372 HydrophobicContact CB-CH2 3.73Å; C263-W372 HydrophobicContact CB-CZ2 3.64Å
264R95.7Very high96Very high100 Ų10039.9 Ų39.938%0.37719%0.189SC..Hα-helixtrans-66.4-42.5174.6175.1178169.9-82.8-2.2111.2Y260 E261 Q262 L267 L268 I371Y260-R264 PolarHBondContact O-N 3.37Å; Y260-R264 VanDerWaalsContact O-N 3.09Å; E261-R264 WeakPolarHBondContact O-CA 3.21Å; E261-R264 VanDerWaalsContact O-CB 3.26Å; E261-R264 WeakPolarHBondContact O-CB 3.45Å; E261-R264 PolarHBondContact O-N 3.49Å; Q262-R264 PolarHBondContact O-N 3.08Å; R264-L267 WeakPolarHBondContact O-CB 3.48Å; R264-L267 PolarHBondContact O-N 3.29Å; R264-L268 WeakPolarHBondContact O-CG 3.09Å; R264-L268 PolarHBondContact O-N 3.25Å; R264-I371 HydrophobicContact CB-CD1 3.58Å; R264-I371 HydrophobicContact CG-CD1 3.8Å
265E96.2Very high95.9Very high106 Ų10644.4 Ų44.450%0.49521%0.207SC..Hα-helixtrans-62.3-44.3175.4-66.2179.9174.900111.9E261 Q262 L267 L268 Q269E261-E265 PolarHBondContact O-N 2.85Å; Q262-E265 WeakPolarHBondContact O-CB 3.38Å; Q262-E265 PolarHBondContact O-N 3.08Å; Q262-E265 VanDerWaalsContact O-N 3.14Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.2Å; E265-L268 PolarHBondContact O-N 3.5Å; E265-L268 VanDerWaalsContact O-N 3.16Å; E265-Q269 WeakPolarHBondContact O-CG 3.45Å; E265-Q269 PolarHBondContact O-N 3.43Å
266F96.1Very high95.8Very high21 Ų2147.6 Ų47.69%0.09223%0.229CC..Hα-helixtrans-61.4-39174.6-69.3-54.3000112.2Q262 Q269 V270 V289 Y292 A293 A298 I301Q262-F266 HydrophobicContact CB-CE2 4.25Å; Q262-F266 WeakPolarHBondContact O-CD2 3.4Å; Q262-F266 PolarHBondContact O-N 3.3Å; F266-Q269 PolarHBondContact O-N 3.41Å; F266-V270 VanDerWaalsContact O-CG2 3.3Å; F266-V270 WeakPolarHBondContact O-CG2 3.47Å; F266-V270 PolarHBondContact O-N 2.89Å; F266-V289 HydrophobicContact CB-CG1 3.85Å; F266-Y292 HydrophobicContact CB-CD1 4.25Å; F266-Y292 AromaticContact CD1-CD1 3.77Å; F266-Y292 HydrophobicContact CD1-CD1 3.77Å; F266-Y292 AromaticContact CD1-CE1 3.84Å; F266-Y292 HydrophobicContact CD1-CE1 3.84Å; F266-Y292 HydrophobicContact CG-CD1 4.4Å; F266-A293 HydrophobicContact CD1-CB 4.4Å; F266-A293 HydrophobicContact CD2-CB 3.61Å; F266-A293 HydrophobicContact CE2-CB 3.84Å; F266-A293 HydrophobicContact CG-CB 3.94Å; F266-A293 HydrophobicContact CZ-CB 4.32Å; F266-A298 HydrophobicContact CE2-CB 3.7Å; F266-A298 HydrophobicContact CZ-CB 3.59Å; F266-I301 HydrophobicContact CD2-CD1 4.1Å; F266-I301 HydrophobicContact CE2-CD1 3.72Å
267L96.3Very high95.7Very high2 Ų255.1 Ų55.11%0.0126%0.257CS..Hα-helixtrans-61.7-44.5173.8174.863.2000111.4C263 R264 E265 Q269 V270 Q271 P282 V285 V289 I371C263-L267 WeakPolarHBondContact O-CB 3.46Å; C263-L267 PolarHBondContact O-N 3.06Å; R264-L267 WeakPolarHBondContact O-CB 3.48Å; R264-L267 PolarHBondContact O-N 3.29Å; E265-L267 VanDerWaalsContact C-N 3.3Å; E265-L267 PolarHBondContact O-N 3.2Å; L267-Q269 VanDerWaalsContact C-N 3.3Å; L267-Q269 PolarHBondContact O-N 3.38Å; L267-V270 PolarHBondContact O-N 3.04Å; L267-Q271 HydrophobicContact CD1-CG 4.03Å; L267-Q271 HydrophobicContact CG-CG 4.3Å; L267-Q271 WeakPolarHBondContact O-CB 3.48Å; L267-Q271 VanDerWaalsContact O-CG 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.5Å; L267-Q271 PolarHBondContact O-N 3.19Å; L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.2Å; L267-V285 HydrophobicContact CD2-CG2 4.17Å; L267-V289 HydrophobicContact CB-CG1 4.25Å; L267-V289 HydrophobicContact CB-CG2 4.22Å; L267-V289 HydrophobicContact CD1-CG2 3.69Å; L267-I371 HydrophobicContact CD2-CB 3.55Å; L267-I371 HydrophobicContact CD2-CD1 4.08Å; L267-I371 HydrophobicContact CD2-CG1 4.39Å; L267-I371 HydrophobicContact CD2-CG2 3.55Å
268L95.6Very high95.6Very high75 Ų7558.2 Ų58.239%0.39329%0.291SS..Hα-helixtrans-61.3-38.1177.5-69.5173000112.4R264 E265 Q271 T272R264-L268 WeakPolarHBondContact O-CG 3.09Å; R264-L268 PolarHBondContact O-N 3.25Å; E265-L268 PolarHBondContact O-N 3.5Å; E265-L268 VanDerWaalsContact O-N 3.16Å; L268-Q271 PolarHBondContact O-N 2.97Å; L268-T272 WeakPolarHBondContact O-CB 3.21Å; L268-T272 PolarHBondContact O-N 3.07Å; L268-T272 PolarHBondContact O-OG1 3.41Å
269Q95.1Very high95.4Very high73 Ų7359 Ų5934%0.34130%0.295SS..Hα-helixtrans-65.1-47.4174.2-68.417741.300111.2E265 F266 L267 Q271 T272 I273 Y292E265-Q269 WeakPolarHBondContact O-CG 3.45Å; E265-Q269 PolarHBondContact O-N 3.43Å; F266-Q269 PolarHBondContact O-N 3.41Å; L267-Q269 VanDerWaalsContact C-N 3.3Å; L267-Q269 PolarHBondContact O-N 3.38Å; Q269-Q271 VanDerWaalsContact C-N 3.31Å; Q269-Q271 PolarHBondContact O-N 2.92Å; Q269-T272 WeakPolarHBondContact O-CB 3.41Å; Q269-T272 PolarHBondContact O-N 2.73Å; Q269-I273 WeakPolarHBondContact O-CG1 3.48Å; Q269-I273 PolarHBondContact O-N 3.29Å; Q269-Y292 HydrophobicContact CB-CE1 3.77Å; Q269-Y292 HydrophobicContact CG-CE1 4.5Å; Q269-Y292 PolarHBondContact OE1-OH 3.24Å
270V95.2Very high95.2Very high3 Ų368.5 Ų68.52%0.01834%0.336CS..Hα-helixtrans-61.2-39.8176.5172.20000111.5F266 L267 I273 A274 P282 Q288 V289 Y292F266-V270 VanDerWaalsContact O-CG2 3.3Å; F266-V270 WeakPolarHBondContact O-CG2 3.47Å; F266-V270 PolarHBondContact O-N 2.89Å; L267-V270 PolarHBondContact O-N 3.04Å; V270-I273 PolarHBondContact O-N 3.35Å; V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.09Å; V270-P282 HydrophobicContact CG1-CG 3.77Å; V270-Q288 HydrophobicContact CG1-CG 4.05Å; V270-V289 HydrophobicContact CG2-CG2 4.47Å; V270-Y292 HydrophobicContact CG2-CD1 3.89Å; V270-Y292 HydrophobicContact CG2-CD2 4.13Å; V270-Y292 HydrophobicContact CG2-CG 3.62Å
271Q95.7Very high95Very high34 Ų3470.6 Ų70.616%0.15935%0.35CS..Hα-helixtrans-64.7-40.9175.3-73.1178.4-14.700112.1L267 L268 Q269 A274 K275 C281 P282L267-Q271 HydrophobicContact CD1-CG 4.03Å; L267-Q271 HydrophobicContact CG-CG 4.3Å; L267-Q271 WeakPolarHBondContact O-CB 3.48Å; L267-Q271 VanDerWaalsContact O-CG 3.24Å; L267-Q271 WeakPolarHBondContact O-CG 3.5Å; L267-Q271 PolarHBondContact O-N 3.19Å; L268-Q271 PolarHBondContact O-N 2.97Å; Q269-Q271 VanDerWaalsContact C-N 3.31Å; Q269-Q271 PolarHBondContact O-N 2.92Å; Q271-A274 PolarHBondContact O-N 2.98Å; Q271-K275 WeakPolarHBondContact O-CB 3.45Å; Q271-K275 VanDerWaalsContact O-CG 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.48Å; Q271-K275 PolarHBondContact O-N 2.82Å; Q271-C281 VanDerWaalsContact CG-SG 3.58Å; Q271-P282 HydrophobicContact CG-CG 4.46Å; Q271-P282 VanDerWaalsContact CG-O 3.27Å; Q271-P282 WeakPolarHBondContact CG-O 3.23Å; Q271-P282 PolarHBondContact NE2-O 3.32Å
272T95.7Very high94.9Very high77 Ų7768.3 Ų68.347%0.47234%0.341SS..Hα-helixtrans-62-47.1175.8-58.20000111L268 Q269 K275 D276L268-T272 WeakPolarHBondContact O-CB 3.21Å; L268-T272 PolarHBondContact O-N 3.07Å; L268-T272 PolarHBondContact O-OG1 3.41Å; Q269-T272 WeakPolarHBondContact O-CB 3.41Å; Q269-T272 PolarHBondContact O-N 2.73Å; T272-K275 PolarHBondContact O-N 2.73Å; T272-D276 WeakPolarHBondContact O-CB 3.48Å; T272-D276 PolarHBondContact O-N 3.02Å
273I94.1Very high94.8Very high45 Ų4571.9 Ų71.923%0.23137%0.365CS..Hα-helixtrans-63.3-43.1177.9-64.8164.6000111.1Q269 V270 K275 D276 R277 Y292Q269-I273 WeakPolarHBondContact O-CG1 3.48Å; Q269-I273 PolarHBondContact O-N 3.29Å; V270-I273 PolarHBondContact O-N 3.35Å; I273-K275 VanDerWaalsContact C-N 3.35Å; I273-K275 PolarHBondContact O-N 2.72Å; I273-D276 PolarHBondContact O-N 2.61Å; I273-R277 WeakPolarHBondContact O-CG 3.27Å; I273-R277 PolarHBondContact O-N 3.37Å; I273-Y292 HydrophobicContact CD1-CE2 3.67Å
274A94.3Very high94.8Very high2 Ų273.6 Ų73.62%0.01737%0.372CS..Hα-helixtrans-63.6-40178.400000112.1V270 Q271 G278 E279V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.09Å; Q271-A274 PolarHBondContact O-N 2.98Å; A274-G278 PolarHBondContact O-N 2.77Å; A274-G278 VanDerWaalsContact O-N 3.12Å; A274-E279 HydrophobicContact CB-CB 4.36Å; A274-E279 PolarHBondContact O-N 3.06Å
275K95Very high94.8Very high146 Ų14669 Ų6964%0.63536%0.355SS*.Hα-helixtrans-65-42.8176.3-74.9174.4-178.7-178.30112.4Q271 T272 I273 R277 G278Q271-K275 WeakPolarHBondContact O-CB 3.45Å; Q271-K275 VanDerWaalsContact O-CG 3.27Å; Q271-K275 WeakPolarHBondContact O-CG 3.48Å; Q271-K275 PolarHBondContact O-N 2.82Å; T272-K275 PolarHBondContact O-N 2.73Å; I273-K275 VanDerWaalsContact C-N 3.35Å; I273-K275 PolarHBondContact O-N 2.72Å; K275-R277 VanDerWaalsContact C-N 3.34Å; K275-G278 PolarHBondContact O-N 3Å
276D95.2Very high94.7Very high140 Ų14065.7 Ų65.775%0.74934%0.342SS*.Hα-helixtrans-64.3-38.4179.1-170.261000112.1T272 I273 G278T272-D276 WeakPolarHBondContact O-CB 3.48Å; T272-D276 PolarHBondContact O-N 3.02Å; I273-D276 PolarHBondContact O-N 2.61Å; D276-G278 VanDerWaalsContact C-N 3.35Å
277R95Very high94.7Very high157 Ų15768.7 Ų68.759%0.59236%0.359SS*.Hα-helixtrans-81.5-8177.3-65.2179.4-178.4-172.5-1.4114.7I273 K275 E279I273-R277 WeakPolarHBondContact O-CG 3.27Å; I273-R277 PolarHBondContact O-N 3.37Å; K275-R277 VanDerWaalsContact C-N 3.34Å; R277-E279 VanDerWaalsContact C-N 3.27Å; R277-E279 HydrophobicContact CB-CG 3.91Å; R277-E279 WeakPolarHBondContact CD-OE1 3.41Å; R277-E279 PolarHBondContact O-N 2.91Å
278G93Very high94.5Very high71 Ų7172.2 Ų72.273%0.73238%0.375SS*.THydrogen-bonded Turntrans69.222.1-172.400000114.2A274 K275 D276A274-G278 PolarHBondContact O-N 2.77Å; A274-G278 VanDerWaalsContact O-N 3.12Å; K275-G278 PolarHBondContact O-N 3Å; D276-G278 VanDerWaalsContact C-N 3.35Å
279E93Very high94.5Very high96 Ų9668.7 Ų68.745%0.44936%0.357SS..  trans-86.5166.1177.4-66.6175.4-163.700111.9A274 R277 C281A274-E279 HydrophobicContact CB-CB 4.36Å; A274-E279 PolarHBondContact O-N 3.06Å; R277-E279 VanDerWaalsContact C-N 3.27Å; R277-E279 HydrophobicContact CB-CG 3.91Å; R277-E279 WeakPolarHBondContact CD-OE1 3.41Å; R277-E279 PolarHBondContact O-N 2.91Å; E279-C281 PolarHBondContact O-N 3.44Å
280K93.1Very high94.6Very high199 Ų19966.2 Ų66.287%0.86535%0.345SS*.  trans-62.9111.4176.1-176.9178.4179.1176.70111P282K280-P282 WeakPolarHBondContact O-CD 3.22Å
281C92.6Very high94.5Very high43 Ų4374.7 Ų74.729%0.29138%0.377SS..  trans-69.6118.4179-175.60000112Q271 E279Q271-C281 VanDerWaalsContact CG-SG 3.58Å; E279-C281 PolarHBondContact O-N 3.44Å
282P93.7Very high94.5Very high15 Ų1575.9 Ų75.910%0.09738%0.38CS..  trans-73.7128.5178.428.5-32.5000111.2L267 V270 Q271 K280 T286L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.2Å; V270-P282 HydrophobicContact CG1-CG 3.77Å; Q271-P282 HydrophobicContact CG-CG 4.46Å; Q271-P282 VanDerWaalsContact CG-O 3.27Å; Q271-P282 WeakPolarHBondContact CG-O 3.23Å; Q271-P282 PolarHBondContact NE2-O 3.32Å; K280-P282 WeakPolarHBondContact O-CD 3.22Å; P282-T286 HydrophobicContact CB-CG2 3.99Å
283T94.4Very high94.4Very high104 Ų10472.3 Ų72.364%0.63836%0.358SS*.SBendtrans-90.5-18.3178.254.20000113.8
284K95.7Very high94.4Very high36 Ų3676.2 Ų76.216%0.15737%0.374CS..SBendtrans-118.2163.9179.4-58.8-74.2-173.7179.20110.4T286 N364 S370 I371 W372 Y373K284-T286 WeakPolarHBondContact O-CG2 3.38Å; K284-T286 PolarHBondContact O-N 3.35Å; K284-N364 PolarHBondContact NZ-OD1 2.97Å; K284-S370 WeakPolarHBondContact CD-O 3.34Å; K284-S370 VanDerWaalsContact CE-O 3.25Å; K284-S370 WeakPolarHBondContact CE-O 3.42Å; K284-S370 PolarHBondContact NZ-O 3.23Å; K284-I371 CarbonylContact C-O 3.53Å; K284-I371 WeakPolarHBondContact CA-O 3.4Å; K284-I371 WeakPolarHBondContact CB-O 3.45Å; K284-W372 PolarHBondContact NZ-O 3.34Å; K284-Y373 HydrophobicContact CB-CD2 4.35Å; K284-Y373 HydrophobicContact CB-CE1 4.33Å; K284-Y373 HydrophobicContact CB-CE2 3.68Å; K284-Y373 HydrophobicContact CG-CE1 4.06Å; K284-Y373 HydrophobicContact CG-CE2 4.3Å
285V95.9Very high94.4Very high4 Ų482.2 Ų82.22%0.02440%0.399CS..  trans-68.4101.4172.8-178.20000109.8L267 V289 F290 I371 W372L267-V285 HydrophobicContact CD2-CG2 4.17Å; V285-V289 HydrophobicContact CG1-CB 4.11Å; V285-V289 HydrophobicContact CG1-CG1 4.12Å; V285-F290 HydrophobicContact CG1-CD2 4.43Å; V285-F290 HydrophobicContact CG1-CE1 4.35Å; V285-F290 HydrophobicContact CG1-CE2 3.73Å; V285-F290 HydrophobicContact CG1-CZ 3.68Å; V285-I371 HydrophobicContact CG2-CB 4.39Å; V285-I371 HydrophobicContact CG2-CD1 4.09Å; V285-I371 HydrophobicContact CG2-CG1 4.22Å; V285-I371 PolarHBondContact N-O 2.83Å; V285-W372 HydrophobicContact CB-CE3 4.27Å; V285-W372 HydrophobicContact CB-CH2 4.41Å; V285-W372 HydrophobicContact CB-CZ3 4.15Å; V285-W372 HydrophobicContact CG1-CH2 4.14Å; V285-W372 HydrophobicContact CG1-CZ3 4.05Å; V285-W372 HydrophobicContact CG2-CD2 4.19Å; V285-W372 HydrophobicContact CG2-CE3 4.25Å; V285-W372 HydrophobicContact CG2-CH2 4.11Å; V285-W372 HydrophobicContact CG2-CZ2 4.01Å; V285-W372 HydrophobicContact CG2-CZ3 4.22Å
286T94.7Very high94.3Very high36 Ų3678 Ų7822%0.22139%0.388CS..  trans-97.7175.8-178.968.30000112.6P282 K284 Q288 V289 F290P282-T286 HydrophobicContact CB-CG2 3.99Å; K284-T286 WeakPolarHBondContact O-CG2 3.38Å; K284-T286 PolarHBondContact O-N 3.35Å; T286-Q288 PolarHBondContact O-N 3.04Å; T286-Q288 WeakPolarHBondContact OG1-CB 3.32Å; T286-Q288 PolarHBondContact OG1-N 3.25Å; T286-V289 PolarHBondContact O-N 2.86Å; T286-V289 VanDerWaalsContact O-N 3.1Å; T286-F290 VanDerWaalsContact O-CD2 3.28Å; T286-F290 WeakPolarHBondContact O-CD2 3.47Å; T286-F290 PolarHBondContact O-N 2.79Å
287N95.1Very high94.2Very high85 Ų8574 Ų7446%0.45538%0.38SS..Hα-helixtrans-55.7-29.6171.1-70.2-15.8000112.5F290 R291 K303N287-F290 PolarHBondContact O-N 3.22Å; N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 3.37Å; N287-K303 WeakPolarHBondContact OD1-CD 3.45Å; N287-K303 PolarHBondContact OD1-NZ 3.46Å
288Q93.2Very high94Very high75 Ų7566.6 Ų66.635%0.3535%0.353SS..Hα-helixtrans-64.4-40.3176.7-174.1176.60.200111.8V270 T286 F290 R291 Y292V270-Q288 HydrophobicContact CG1-CG 4.05Å; T286-Q288 PolarHBondContact O-N 3.04Å; T286-Q288 WeakPolarHBondContact OG1-CB 3.32Å; T286-Q288 PolarHBondContact OG1-N 3.25Å; Q288-F290 PolarHBondContact O-N 2.82Å; Q288-R291 PolarHBondContact O-N 3.4Å; Q288-Y292 WeakPolarHBondContact O-CB 3.39Å; Q288-Y292 PolarHBondContact O-N 3.28Å
289V95.6Very high93.9Very high1 Ų167.3 Ų67.31%0.00635%0.346CS..Hα-helixtrans-63.6-43.1177.5-176.20000111F266 L267 V270 V285 T286 R291 Y292 A293F266-V289 HydrophobicContact CB-CG1 3.85Å; L267-V289 HydrophobicContact CB-CG1 4.25Å; L267-V289 HydrophobicContact CB-CG2 4.22Å; L267-V289 HydrophobicContact CD1-CG2 3.69Å; V270-V289 HydrophobicContact CG2-CG2 4.47Å; V285-V289 HydrophobicContact CG1-CB 4.11Å; V285-V289 HydrophobicContact CG1-CG1 4.12Å; T286-V289 PolarHBondContact O-N 2.86Å; T286-V289 VanDerWaalsContact O-N 3.1Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.93Å; V289-Y292 PolarHBondContact O-N 3.13Å; V289-A293 WeakPolarHBondContact O-CB 3.45Å; V289-A293 PolarHBondContact O-N 3.46Å
290F95.8Very high93.9Very high21 Ų2165.4 Ų65.49%0.09234%0.336CS..Hα-helixtrans-65-36.3176.2-67.9-66.3000112.9V285 T286 N287 Q288 K294 I301 K303 M306 W372V285-F290 HydrophobicContact CG1-CD2 4.43Å; V285-F290 HydrophobicContact CG1-CE1 4.35Å; V285-F290 HydrophobicContact CG1-CE2 3.73Å; V285-F290 HydrophobicContact CG1-CZ 3.68Å; T286-F290 VanDerWaalsContact O-CD2 3.28Å; T286-F290 WeakPolarHBondContact O-CD2 3.47Å; T286-F290 PolarHBondContact O-N 2.79Å; N287-F290 PolarHBondContact O-N 3.22Å; Q288-F290 PolarHBondContact O-N 2.82Å; F290-K294 PolarHBondContact O-N 3.42Å; F290-I301 HydrophobicContact CD1-CG2 4.02Å; F290-I301 HydrophobicContact CE1-CG2 4.13Å; F290-K303 HydrophobicContact CD1-CB 4.27Å; F290-K303 HydrophobicContact CD2-CB 3.76Å; F290-K303 HydrophobicContact CD2-CD 4.31Å; F290-K303 HydrophobicContact CD2-CG 4.06Å; F290-K303 HydrophobicContact CE1-CB 4.34Å; F290-K303 HydrophobicContact CE2-CB 3.84Å; F290-K303 HydrophobicContact CE2-CD 4.33Å; F290-K303 HydrophobicContact CE2-CG 3.8Å; F290-K303 HydrophobicContact CG-CB 4Å; F290-K303 HydrophobicContact CZ-CB 4.13Å; F290-K303 HydrophobicContact CZ-CG 4.31Å; F290-M306 HydrophobicContact CE1-CB 3.94Å; F290-M306 HydrophobicContact CE1-CG 3.75Å; F290-M306 HydrophobicContact CZ-CB 4.04Å; F290-M306 HydrophobicContact CZ-CG 4.35Å; F290-W372 HydrophobicContact CZ-CZ3 4.43Å
291R94.4Very high94Very high181 Ų18156.3 Ų56.368%0.68330%0.296SS*.Hα-helixtrans-66.9-43.2173.8-73.8-173.2-68.4-171.22111.5N287 Q288 V289 K294 K295N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 3.37Å; Q288-R291 PolarHBondContact O-N 3.4Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.93Å; R291-K294 PolarHBondContact O-N 3.01Å; R291-K295 PolarHBondContact O-N 2.99Å
292Y94.7Very high94.1Very high60 Ų6057.2 Ų57.224%0.23530%0.298CS..Hα-helixtrans-62.3-47.8177.8-174.8-95.4000111.4F266 Q269 V270 I273 Q288 V289 K294 K295 S296F266-Y292 HydrophobicContact CB-CD1 4.25Å; F266-Y292 AromaticContact CD1-CD1 3.77Å; F266-Y292 HydrophobicContact CD1-CD1 3.77Å; F266-Y292 AromaticContact CD1-CE1 3.84Å; F266-Y292 HydrophobicContact CD1-CE1 3.84Å; F266-Y292 HydrophobicContact CG-CD1 4.4Å; Q269-Y292 HydrophobicContact CB-CE1 3.77Å; Q269-Y292 HydrophobicContact CG-CE1 4.5Å; Q269-Y292 PolarHBondContact OE1-OH 3.24Å; V270-Y292 HydrophobicContact CG2-CD1 3.89Å; V270-Y292 HydrophobicContact CG2-CD2 4.13Å; V270-Y292 HydrophobicContact CG2-CG 3.62Å; I273-Y292 HydrophobicContact CD1-CE2 3.67Å; Q288-Y292 WeakPolarHBondContact O-CB 3.39Å; Q288-Y292 PolarHBondContact O-N 3.28Å; V289-Y292 PolarHBondContact O-N 3.13Å; Y292-K294 VanDerWaalsContact C-N 3.28Å; Y292-K294 PolarHBondContact O-N 3.14Å; Y292-K295 CarbonylContact O-C 3.57Å; Y292-K295 WeakPolarHBondContact O-CA 3.5Å; Y292-K295 WeakPolarHBondContact O-CB 3.04Å; Y292-K295 PolarHBondContact O-N 3.02Å; Y292-S296 WeakPolarHBondContact CE1-OG 3.26Å; Y292-S296 PolarHBondContact O-N 3.49Å; Y292-S296 PolarHBondContact O-OG 3.13Å; Y292-S296 VanDerWaalsContact O-OG 3.12Å
293A94.9Very high94.1Very high1 Ų160.4 Ų60.41%0.00831%0.311CS..Hα-helixtrans-54.7-42.7175.600000112.4F266 V289 S296 G297 A298F266-A293 HydrophobicContact CD1-CB 4.4Å; F266-A293 HydrophobicContact CD2-CB 3.61Å; F266-A293 HydrophobicContact CE2-CB 3.84Å; F266-A293 HydrophobicContact CG-CB 3.94Å; F266-A293 HydrophobicContact CZ-CB 4.32Å; V289-A293 WeakPolarHBondContact O-CB 3.45Å; V289-A293 PolarHBondContact O-N 3.46Å; A293-S296 PolarHBondContact O-N 3.46Å; A293-G297 PolarHBondContact O-N 2.95Å; A293-A298 HydrophobicContact CB-CB 4.37Å; A293-A298 WeakPolarHBondContact O-CA 3.46Å; A293-A298 WeakPolarHBondContact O-CB 3.29Å; A293-A298 PolarHBondContact O-N 3.12Å
294K93.9Very high94.1Very high128 Ų12860 Ų6056%0.55731%0.31SS*.Hα-helixtrans-64.8-39.9175.4-171.5-178.2176.2-169.90112.4F290 R291 Y292 S296 G297F290-K294 PolarHBondContact O-N 3.42Å; R291-K294 PolarHBondContact O-N 3.01Å; Y292-K294 VanDerWaalsContact C-N 3.28Å; Y292-K294 PolarHBondContact O-N 3.14Å; K294-S296 VanDerWaalsContact C-N 3.33Å; K294-G297 PolarHBondContact O-N 2.73Å
295K92.7Very high94Very high127 Ų12759.7 Ų59.755%0.55231%0.308SS*.Hα-helixtrans-65.2-37.3175.1-170.3-177.8178.8-175.20111.1E122 R291 Y292 G297E122-K295 IonicContact OE1-NZ 3.97Å; E122-K295 PolarHBondContact OE1-NZ 3.25Å; E122-K295 IonicContact OE2-NZ 2.71Å; E122-K295 PolarHBondContact OE2-NZ 3.32Å; R291-K295 PolarHBondContact O-N 2.99Å; Y292-K295 CarbonylContact O-C 3.57Å; Y292-K295 WeakPolarHBondContact O-CA 3.5Å; Y292-K295 WeakPolarHBondContact O-CB 3.04Å; Y292-K295 PolarHBondContact O-N 3.02Å; K295-G297 PolarHBondContact O-N 2.87Å
296S93.5Very high94Very high57 Ų5759.5 Ų59.540%0.39931%0.307SS..THydrogen-bonded Turntrans-77.49.9178-53.60000114.7Y292 A293 K294Y292-S296 WeakPolarHBondContact CE1-OG 3.26Å; Y292-S296 PolarHBondContact O-N 3.49Å; Y292-S296 PolarHBondContact O-OG 3.13Å; Y292-S296 VanDerWaalsContact O-OG 3.12Å; A293-S296 PolarHBondContact O-N 3.46Å; K294-S296 VanDerWaalsContact C-N 3.33Å
297G92.4Very high94.1Very high56 Ų5663.8 Ų63.858%0.57732%0.319SS*.THydrogen-bonded Turntrans85.5-0.6178.400000115.7A293 K294 K295 S299A293-G297 PolarHBondContact O-N 2.95Å; K294-G297 PolarHBondContact O-N 2.73Å; K295-G297 PolarHBondContact O-N 2.87Å; G297-S299 PolarHBondContact O-N 2.86Å
298A92.6Very high94.2Very high2 Ų263.9 Ų63.92%0.01732%0.317CS..  trans-84.858.3176.200000111.7F266 A293 Y300 I301F266-A298 HydrophobicContact CE2-CB 3.7Å; F266-A298 HydrophobicContact CZ-CB 3.59Å; A293-A298 HydrophobicContact CB-CB 4.37Å; A293-A298 WeakPolarHBondContact O-CA 3.46Å; A293-A298 WeakPolarHBondContact O-CB 3.29Å; A293-A298 PolarHBondContact O-N 3.12Å; A298-Y300 HydrophobicContact CB-CE1 4.18Å; A298-Y300 HydrophobicContact CB-CE2 4.2Å; A298-Y300 PolarHBondContact O-N 3.14Å; A298-I301 HydrophobicContact CB-CD1 4.16Å; A298-I301 HydrophobicContact CB-CG1 4.4Å; A298-I301 PolarHBondContact O-N 3.03Å; A298-I301 VanDerWaalsContact O-N 3.08Å
299S90.4Very high94.4Very high86 Ų8661.9 Ų61.960%0.60131%0.307SS*.THydrogen-bonded Turntrans-61.7-23.9-177.761.50000113.7G297 I301G297-S299 PolarHBondContact O-N 2.86Å; S299-I301 PolarHBondContact O-N 2.97Å
300Y93.2Very high94.5Very high57 Ų5762.1 Ų62.122%0.22431%0.308CS..THydrogen-bonded Turntrans-68.3-18.6175.851.1-97.5000113.1E234 L259 Q262 A298 K305E234-Y300 WeakPolarHBondContact OE1-CB 3.24Å; L259-Y300 HydrophobicContact CD2-CD2 3.51Å; L259-Y300 HydrophobicContact CD2-CE2 3.57Å; Q262-Y300 PolarHBondContact NE2-OH 3.07Å; Q262-Y300 VanDerWaalsContact OE1-CE2 3.29Å; A298-Y300 HydrophobicContact CB-CE1 4.18Å; A298-Y300 HydrophobicContact CB-CE2 4.2Å; A298-Y300 PolarHBondContact O-N 3.14Å; Y300-K305 WeakPolarHBondContact O-CE 3.3Å; Y300-K305 PolarHBondContact O-NZ 3.3Å
301I94.7Very high94.6Very high8 Ų861.1 Ų61.14%0.04130%0.303CS..  trans-87124.9176.4-61.5-178.5000110.1L259 Q262 C263 F266 F290 A298 S299 M306L259-I301 HydrophobicContact CD2-CG1 4.3Å; Q262-I301 HydrophobicContact CB-CD1 3.97Å; C263-I301 WeakPolarHBondContact SG-CG2 3.42Å; F266-I301 HydrophobicContact CD2-CD1 4.1Å; F266-I301 HydrophobicContact CE2-CD1 3.72Å; F290-I301 HydrophobicContact CD1-CG2 4.02Å; F290-I301 HydrophobicContact CE1-CG2 4.13Å; A298-I301 HydrophobicContact CB-CD1 4.16Å; A298-I301 HydrophobicContact CB-CG1 4.4Å; A298-I301 PolarHBondContact O-N 3.03Å; A298-I301 VanDerWaalsContact O-N 3.08Å; S299-I301 PolarHBondContact O-N 2.97Å; I301-M306 HydrophobicContact CG2-CG 4.07Å
302N93.8Very high94.7Very high62 Ų6252.5 Ų52.533%0.33227%0.271SS..  trans-142148.8176.367.775.3000113P304 K305 M306N302-P304 WeakPolarHBondContact OD1-CD 3.45Å; N302-K305 PolarHBondContact O-N 3.2Å; N302-K305 WeakPolarHBondContact OD1-CB 3.2Å; N302-K305 PolarHBondContact OD1-N 2.82Å; N302-M306 WeakPolarHBondContact O-CG 3.36Å; N302-M306 PolarHBondContact O-N 3.42Å
303K94.2Very high94.9Very high82 Ų8249.7 Ų49.736%0.35726%0.26SS..Hα-helixtrans-56.9-48.7-174.8179.4176.670.2174.70113.6N287 F290 K305 M306 R307N287-K303 WeakPolarHBondContact OD1-CD 3.45Å; N287-K303 PolarHBondContact OD1-NZ 3.46Å; F290-K303 HydrophobicContact CD1-CB 4.27Å; F290-K303 HydrophobicContact CD2-CB 3.76Å; F290-K303 HydrophobicContact CD2-CD 4.31Å; F290-K303 HydrophobicContact CD2-CG 4.06Å; F290-K303 HydrophobicContact CE1-CB 4.34Å; F290-K303 HydrophobicContact CE2-CB 3.84Å; F290-K303 HydrophobicContact CE2-CD 4.33Å; F290-K303 HydrophobicContact CE2-CG 3.8Å; F290-K303 HydrophobicContact CG-CB 4Å; F290-K303 HydrophobicContact CZ-CB 4.13Å; F290-K303 HydrophobicContact CZ-CG 4.31Å; K303-K305 PolarHBondContact O-N 2.84Å; K303-M306 PolarHBondContact O-N 2.95Å; K303-R307 HydrophobicContact CG-CG 4.34Å; K303-R307 WeakPolarHBondContact O-CB 3.42Å; K303-R307 WeakPolarHBondContact O-CG 3.24Å; K303-R307 PolarHBondContact O-N 2.87Å
304P94.4Very high95Very high96 Ų9649.6 Ų49.662%0.62326%0.259SS*.Hα-helixtrans-59.5-45.6-180-25.435.7000112.7N302 R307 H308N302-P304 WeakPolarHBondContact OD1-CD 3.45Å; P304-R307 PolarHBondContact O-N 2.89Å; P304-H308 WeakPolarHBondContact O-CB 3.43Å; P304-H308 PolarHBondContact O-N 3.45Å
305K94.7Very high95.2Very high28 Ų2843.5 Ų43.512%0.12223%0.233CC..Hα-helixtrans-61.9-48.6179-173.7171.571165.70111.7F237 Y300 N302 K303 R307 H308 Y309F237-K305 HydrophobicContact CE2-CD 3.89Å; F237-K305 HydrophobicContact CE2-CG 4.28Å; F237-K305 HydrophobicContact CZ-CD 4.26Å; Y300-K305 WeakPolarHBondContact O-CE 3.3Å; Y300-K305 PolarHBondContact O-NZ 3.3Å; N302-K305 PolarHBondContact O-N 3.2Å; N302-K305 WeakPolarHBondContact OD1-CB 3.2Å; N302-K305 PolarHBondContact OD1-N 2.82Å; K303-K305 PolarHBondContact O-N 2.84Å; K305-R307 PolarHBondContact O-N 2.91Å; K305-H308 WeakPolarHBondContact O-CB 3.43Å; K305-H308 PolarHBondContact O-N 3.26Å; K305-H308 VanDerWaalsContact O-N 3.17Å; K305-Y309 WeakPolarHBondContact O-CD2 3.46Å; K305-Y309 PolarHBondContact O-N 3Å
306M96.2Very high95.4Very high0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-66.5-36-179.5-61.5-45.5-71.700112.6L259 Y260 F290 I301 N302 K303 H308 V310 W372L259-M306 HydrophobicContact CB-CE 3.88Å; L259-M306 HydrophobicContact CB-SD 3.99Å; L259-M306 HydrophobicContact CD1-SD 4.5Å; L259-M306 WeakPolarHBondContact O-CE 3.45Å; Y260-M306 HydrophobicContact CD1-CE 3.59Å; Y260-M306 HydrophobicContact CD2-CE 3.55Å; Y260-M306 HydrophobicContact CE1-CE 3.64Å; Y260-M306 HydrophobicContact CE2-CE 3.63Å; Y260-M306 HydrophobicContact CG-CE 3.5Å; Y260-M306 VanDerWaalsContact CG-CE 3.5Å; Y260-M306 PolarHBondContact OH-O 3.36Å; F290-M306 HydrophobicContact CE1-CB 3.94Å; F290-M306 HydrophobicContact CE1-CG 3.75Å; F290-M306 HydrophobicContact CZ-CB 4.04Å; F290-M306 HydrophobicContact CZ-CG 4.35Å; I301-M306 HydrophobicContact CG2-CG 4.07Å; N302-M306 WeakPolarHBondContact O-CG 3.36Å; N302-M306 PolarHBondContact O-N 3.42Å; K303-M306 PolarHBondContact O-N 2.95Å; M306-H308 VanDerWaalsContact C-N 3.31Å; M306-V310 PolarHBondContact O-N 3.4Å; M306-W372 HydrophobicContact CB-CH2 4.13Å; M306-W372 HydrophobicContact CB-CZ3 4.05Å; M306-W372 HydrophobicContact CE-CH2 3.96Å; M306-W372 HydrophobicContact CE-CZ2 4.44Å
307R96Very high95.6Very high126 Ų12637.1 Ų37.148%0.47520%0.201SC..Hα-helixtrans-69.8-30.3174.4-73.3-175.8175.9-113-1.9112.4K303 P304 K305K303-R307 HydrophobicContact CG-CG 4.34Å; K303-R307 WeakPolarHBondContact O-CB 3.42Å; K303-R307 WeakPolarHBondContact O-CG 3.24Å; K303-R307 PolarHBondContact O-N 2.87Å; P304-R307 PolarHBondContact O-N 2.89Å; K305-R307 PolarHBondContact O-N 2.91Å
308H96.5Very high95.8Very high88 Ų8836.9 Ų36.941%0.40719%0.186SC..Hα-helixtrans-66.7-38.1-177.7-160.170.4000112.5P304 K305 M306 H311 R341P304-H308 WeakPolarHBondContact O-CB 3.43Å; P304-H308 PolarHBondContact O-N 3.45Å; K305-H308 WeakPolarHBondContact O-CB 3.43Å; K305-H308 PolarHBondContact O-N 3.26Å; K305-H308 VanDerWaalsContact O-N 3.17Å; M306-H308 VanDerWaalsContact C-N 3.31Å; H308-H311 PolarHBondContact O-CE1 3.16Å; H308-R341 PolarHBondContact CD2-NE 2.95Å; H308-R341 VanDerWaalsContact CE1-CZ 3.45Å; H308-R341 WeakPolarHBondContact NE2-CD 3.34Å; H308-R341 PolarHBondContact NE2-NE 3Å; H308-R341 VanDerWaalsContact NE2-NE 3.12Å; H308-R341 PolarHBondContact O-NE 3.43Å; H308-R341 PolarHBondContact O-NH2 3.46Å
309Y97.5Very high95.9Very high33 Ų3339.1 Ų39.113%0.12920%0.197CC..SBendtrans-107.49-173.5-64.5-79.5000114.9F237 L256 Y260 K305 H311 C312 Y313 V337 W340 R341F237-Y309 HydrophobicContact CD2-CE2 4.21Å; F237-Y309 HydrophobicContact CE2-CE2 4.35Å; L256-Y309 HydrophobicContact CD1-CD2 3.98Å; L256-Y309 HydrophobicContact CD1-CG 4.14Å; L256-Y309 HydrophobicContact CD2-CD1 3.85Å; L256-Y309 HydrophobicContact CD2-CD2 4.24Å; L256-Y309 HydrophobicContact CD2-CE1 4.41Å; L256-Y309 HydrophobicContact CD2-CG 3.75Å; Y260-Y309 WeakPolarHBondContact OH-CA 3.46Å; Y260-Y309 VanDerWaalsContact OH-CB 3.24Å; Y260-Y309 WeakPolarHBondContact OH-CB 3.36Å; Y260-Y309 PolarHBondContact OH-O 2.82Å; K305-Y309 WeakPolarHBondContact O-CD2 3.46Å; K305-Y309 PolarHBondContact O-N 3Å; Y309-H311 VanDerWaalsContact C-N 3.27Å; Y309-H311 PolarHBondContact O-N 3.45Å; Y309-C312 WeakPolarHBondContact O-CA 3.27Å; Y309-C312 VanDerWaalsContact O-CB 3.28Å; Y309-C312 WeakPolarHBondContact O-CB 3.44Å; Y309-C312 PolarHBondContact O-N 3.23Å; Y309-Y313 PolarHBondContact O-N 3.4Å; Y309-V337 HydrophobicContact CE1-CG1 3.7Å; Y309-W340 HydrophobicContact CD1-CZ3 4.15Å; Y309-W340 HydrophobicContact CE1-CZ3 4.3Å; Y309-R341 HydrophobicContact CD1-CG 4.21Å; Y309-R341 HydrophobicContact CE1-CB 4.35Å; Y309-R341 HydrophobicContact CE1-CG 4.25Å
310V97.8Very high96.2Very high5 Ų540.4 Ų40.43%0.0319%0.194CC..Hα-helixtrans-65.2-29.3-172.2680000112.9Y260 M306 Y313 A314 W372 P375Y260-V310 HydrophobicContact CE1-CB 3.95Å; Y260-V310 HydrophobicContact CE1-CG2 4.09Å; Y260-V310 PolarHBondContact OH-N 3.4Å; M306-V310 PolarHBondContact O-N 3.4Å; V310-Y313 PolarHBondContact O-N 2.81Å; V310-A314 WeakPolarHBondContact O-CB 3.4Å; V310-A314 PolarHBondContact O-N 3.47Å; V310-W372 HydrophobicContact CG2-CB 3.78Å; V310-W372 HydrophobicContact CG2-CD2 3.98Å; V310-W372 HydrophobicContact CG2-CE3 3.97Å; V310-W372 HydrophobicContact CG2-CG 3.89Å; V310-P375 HydrophobicContact CG1-CB 4.42Å; V310-P375 HydrophobicContact CG1-CG 3.13Å
311H97.5Very high96.4Very high0 Ų045.2 Ų45.20%022%0.219CC..Hα-helixtrans-70.7-35.1172.367.3-68.6000111.5H308 Y309 Y313 A314 L315 R341 Y345 L348 P375 L378H308-H311 PolarHBondContact O-CE1 3.16Å; Y309-H311 VanDerWaalsContact C-N 3.27Å; Y309-H311 PolarHBondContact O-N 3.45Å; H311-Y313 VanDerWaalsContact C-N 3.33Å; H311-Y313 PolarHBondContact O-N 2.94Å; H311-A314 WeakPolarHBondContact O-CB 3.3Å; H311-A314 PolarHBondContact O-N 3.34Å; H311-A314 VanDerWaalsContact O-N 3.16Å; H311-L315 PolarHBondContact O-N 3.12Å; H311-R341 VanDerWaalsContact CE1-CG 3.46Å; H311-R341 WeakPolarHBondContact CE1-CG 3.32Å; H311-R341 PolarHBondContact NE2-O 3.08Å; H311-Y345 HydrophobicContact CB-CD1 4.41Å; H311-Y345 HydrophobicContact CB-CE1 3.98Å; H311-Y345 AromaticContact CD2-CD1 3.69Å; H311-Y345 AromaticContact CD2-CE1 3.47Å; H311-Y345 VanDerWaalsContact CD2-CE1 3.47Å; H311-Y345 WeakPolarHBondContact CD2-CE1 3.29Å; H311-Y345 AromaticContact CD2-CE2 3.89Å; H311-Y345 AromaticContact CD2-CG 3.97Å; H311-Y345 AromaticContact CD2-CZ 3.57Å; H311-Y345 AromaticContact CE1-CZ 3.64Å; H311-Y345 PolarHBondContact CE1-OH 2.91Å; H311-Y345 AromaticContact CG-CE1 3.52Å; H311-Y345 AromaticContact CG-CZ 3.75Å; H311-Y345 AromaticContact ND1-CZ 3.8Å; H311-Y345 AromaticContact NE2-CD2 3.99Å; H311-Y345 AromaticContact NE2-CE1 3.91Å; H311-Y345 AromaticContact NE2-CE2 3.54Å; H311-Y345 AromaticContact NE2-CZ 3.48Å; H311-L348 HydrophobicContact CB-CD1 3.71Å; H311-L348 VanDerWaalsContact O-CD1 3.29Å; H311-L348 WeakPolarHBondContact O-CD1 3.25Å; H311-P375 HydrophobicContact CB-CG 4.31Å; H311-L378 HydrophobicContact CB-CD2 4.4Å
312C97.8Very high96.4Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-61.4-43.4172.4-56.70000111.3F257 Y309 A314 L315 H316 W340 C344F257-C312 HydrophobicContact CE1-CB 4.35Å; Y309-C312 WeakPolarHBondContact O-CA 3.27Å; Y309-C312 VanDerWaalsContact O-CB 3.28Å; Y309-C312 WeakPolarHBondContact O-CB 3.44Å; Y309-C312 PolarHBondContact O-N 3.23Å; C312-A314 VanDerWaalsContact C-N 3.33Å; C312-L315 PolarHBondContact O-N 2.85Å; C312-H316 PolarHBondContact O-N 2.71Å; C312-H316 VanDerWaalsContact O-N 3.16Å; C312-W340 HydrophobicContact CB-CH2 3.53Å; C312-W340 HydrophobicContact CB-CZ2 4.06Å; C312-W340 HydrophobicContact CB-CZ3 4.13Å; C312-C344 VanDerWaalsContact SG-SG 3.66Å
313Y98Very high96.6Very high1 Ų143.5 Ų43.50%0.00421%0.214CC..Hα-helixtrans-65.4-35.9173.7-178.9-112.7000112.3F257 Y260 Y309 V310 H311 H316 C317 L369 W372F257-Y313 HydrophobicContact CB-CD2 4.19Å; F257-Y313 HydrophobicContact CB-CE2 4.47Å; F257-Y313 AromaticContact CD1-CD2 3.94Å; F257-Y313 HydrophobicContact CD1-CD2 3.94Å; F257-Y313 HydrophobicContact CG-CD2 4.34Å; Y260-Y313 AromaticContact CD1-CD1 3.55Å; Y260-Y313 HydrophobicContact CD1-CD1 3.55Å; Y260-Y313 HydrophobicContact CD1-CD2 4.46Å; Y260-Y313 HydrophobicContact CD1-CE1 4.15Å; Y260-Y313 AromaticContact CD1-CG 3.72Å; Y260-Y313 HydrophobicContact CD1-CG 3.72Å; Y260-Y313 HydrophobicContact CD2-CD1 4.44Å; Y260-Y313 AromaticContact CD2-CD2 3.93Å; Y260-Y313 HydrophobicContact CD2-CD2 3.93Å; Y260-Y313 AromaticContact CD2-CG 3.82Å; Y260-Y313 HydrophobicContact CD2-CG 3.82Å; Y260-Y313 HydrophobicContact CE1-CD1 4.34Å; Y260-Y313 HydrophobicContact CE1-CG 4.34Å; Y260-Y313 HydrophobicContact CE2-CG 4.39Å; Y260-Y313 AromaticContact CG-CD1 3.67Å; Y260-Y313 HydrophobicContact CG-CD1 3.67Å; Y260-Y313 AromaticContact CG-CD2 3.78Å; Y260-Y313 HydrophobicContact CG-CD2 3.78Å; Y260-Y313 HydrophobicContact CG-CE1 4.1Å; Y260-Y313 HydrophobicContact CG-CE2 4.2Å; Y260-Y313 AromaticContact CG-CG 3.48Å; Y260-Y313 HydrophobicContact CG-CG 3.48Å; Y260-Y313 VanDerWaalsContact CG-CG 3.48Å; Y309-Y313 PolarHBondContact O-N 3.4Å; V310-Y313 PolarHBondContact O-N 2.81Å; H311-Y313 VanDerWaalsContact C-N 3.33Å; H311-Y313 PolarHBondContact O-N 2.94Å; Y313-H316 PolarHBondContact O-N 3.2Å; Y313-C317 PolarHBondContact O-N 3.08Å; Y313-C317 PolarHBondContact O-SG 3.47Å; Y313-L369 HydrophobicContact CD1-CD2 3.69Å; Y313-L369 HydrophobicContact CE1-CD2 3.83Å; Y313-W372 AromaticContact CE1-NE1 3.89Å
314A97.9Very high96.7Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-61.4-42.7173.800000112.4V310 H311 C312 H316 C317 L318 L348 F363 L369V310-A314 WeakPolarHBondContact O-CB 3.4Å; V310-A314 PolarHBondContact O-N 3.47Å; H311-A314 WeakPolarHBondContact O-CB 3.3Å; H311-A314 PolarHBondContact O-N 3.34Å; H311-A314 VanDerWaalsContact O-N 3.16Å; C312-A314 VanDerWaalsContact C-N 3.33Å; A314-H316 VanDerWaalsContact C-N 3.34Å; A314-H316 PolarHBondContact O-N 3.05Å; A314-C317 PolarHBondContact O-N 3.42Å; A314-L318 WeakPolarHBondContact O-CB 3.49Å; A314-L318 VanDerWaalsContact O-CG 3.28Å; A314-L318 WeakPolarHBondContact O-CG 3.27Å; A314-L318 PolarHBondContact O-N 2.99Å; A314-L348 HydrophobicContact CB-CD2 4.16Å; A314-F363 HydrophobicContact CB-CE1 4.11Å; A314-F363 HydrophobicContact CB-CE2 3.94Å; A314-F363 HydrophobicContact CB-CZ 3.46Å; A314-F363 VanDerWaalsContact CB-CZ 3.46Å; A314-L369 HydrophobicContact CB-CD1 3.94Å; A314-L369 HydrophobicContact CB-CD2 4.02Å
315L97.7Very high96.8Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-61.6-45.4175.618061.6000110.7H311 C312 C317 L318 D319 L326 C344 P347 L348 I351H311-L315 PolarHBondContact O-N 3.12Å; C312-L315 PolarHBondContact O-N 2.85Å; L315-C317 VanDerWaalsContact C-N 3.3Å; L315-C317 PolarHBondContact O-N 3.46Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-D319 HydrophobicContact CD1-CB 4.38Å; L315-D319 CarbonylContact O-C 3.59Å; L315-D319 VanDerWaalsContact O-C 3.25Å; L315-D319 PolarHBondContact O-N 3.46Å; L315-D319 VanDerWaalsContact O-O 3.04Å; L315-L326 HydrophobicContact CD2-CD2 3.92Å; L315-C344 HydrophobicContact CD2-CB 4.14Å; L315-P347 HydrophobicContact CD1-CB 3.73Å; L315-P347 HydrophobicContact CD1-CG 3.65Å; L315-P347 HydrophobicContact CD2-CG 3.59Å; L315-P347 HydrophobicContact CG-CG 4.26Å; L315-L348 HydrophobicContact CB-CD1 4.49Å; L315-L348 HydrophobicContact CB-CD2 4.14Å; L315-L348 HydrophobicContact CB-CG 4.21Å; L315-L348 HydrophobicContact CD1-CD2 4.46Å; L315-L348 HydrophobicContact CD1-CG 4.5Å; L315-I351 HydrophobicContact CD1-CD1 4.39Å
316H97.2Very high96.9Very high28 Ų2838.7 Ų38.713%0.1320%0.195CC..Hα-helixtrans-59.8-37.6177.1177.858.1000113.3F257 C312 Y313 A314 E320F257-H316 HydrophobicContact CD2-CB 4.39Å; F257-H316 AromaticContact CD2-CD2 3.8Å; F257-H316 AromaticContact CD2-CG 3.89Å; F257-H316 HydrophobicContact CE1-CB 4.3Å; F257-H316 HydrophobicContact CE2-CB 4.07Å; F257-H316 AromaticContact CE2-CG 3.9Å; F257-H316 AromaticContact CG-CD2 3.97Å; F257-H316 HydrophobicContact CZ-CB 4.01Å; C312-H316 PolarHBondContact O-N 2.71Å; C312-H316 VanDerWaalsContact O-N 3.16Å; Y313-H316 PolarHBondContact O-N 3.2Å; A314-H316 VanDerWaalsContact C-N 3.34Å; A314-H316 PolarHBondContact O-N 3.05Å; H316-E320 IonicContact CE1-OE1 2.68Å; H316-E320 WeakPolarHBondContact O-CA 3.43Å
317C97Very high96.9Very high21 Ų2138.7 Ų38.714%0.14220%0.195CC..Hα-helixtrans-76.6-37177.9-71.90000113.8Y313 A314 L315 H366 L369Y313-C317 PolarHBondContact O-N 3.08Å; Y313-C317 PolarHBondContact O-SG 3.47Å; A314-C317 PolarHBondContact O-N 3.42Å; L315-C317 VanDerWaalsContact C-N 3.3Å; L315-C317 PolarHBondContact O-N 3.46Å; C317-H366 PolarHBondContact O-NE2 2.96Å; C317-L369 HydrophobicContact CB-CD1 3.76Å; C317-L369 HydrophobicContact CB-CD2 3.95Å; C317-L369 HydrophobicContact CB-CG 3.73Å
318L96.6Very high96.9Very high52 Ų5238.7 Ų38.727%0.27220%0.195SC..Hα-helixtrans-85.1-34.6-175-66.7168.3000112.6A314 L315 L348 I351 V362 H366 L369A314-L318 WeakPolarHBondContact O-CB 3.49Å; A314-L318 VanDerWaalsContact O-CG 3.28Å; A314-L318 WeakPolarHBondContact O-CG 3.27Å; A314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.46Å; L318-L348 HydrophobicContact CD1-CD2 3.85Å; L318-I351 HydrophobicContact CB-CD1 4.03Å; L318-I351 HydrophobicContact CD1-CD1 4.46Å; L318-I351 HydrophobicContact CD1-CG2 4.41Å; L318-V362 HydrophobicContact CD1-CG1 3.49Å; L318-V362 VanDerWaalsContact CD1-CG1 3.49Å; L318-V362 HydrophobicContact CD2-CG1 3.69Å; L318-V362 HydrophobicContact CG-CG1 4.25Å; L318-H366 HydrophobicContact CD2-CB 4.31Å; L318-L369 HydrophobicContact CD1-CD1 4.05Å; L318-L369 HydrophobicContact CD2-CD1 3.97Å; L318-L369 HydrophobicContact CG-CD1 3.68Å
319D96Very high96.9Very high48 Ų4836.4 Ų36.426%0.25719%0.192SC..  trans-149.880.6-176.6-167.2-22.6000108.9L315 E321 A322 S323 I351L315-D319 HydrophobicContact CD1-CB 4.38Å; L315-D319 CarbonylContact O-C 3.59Å; L315-D319 VanDerWaalsContact O-C 3.25Å; L315-D319 PolarHBondContact O-N 3.46Å; L315-D319 VanDerWaalsContact O-O 3.04Å; D319-E321 PolarHBondContact O-N 3.47Å; D319-A322 HydrophobicContact CB-CB 4.05Å; D319-A322 PolarHBondContact O-N 3.22Å; D319-A322 VanDerWaalsContact OD1-CB 3.28Å; D319-A322 WeakPolarHBondContact OD1-CB 3.27Å; D319-A322 PolarHBondContact OD1-N 2.77Å; D319-A322 WeakPolarHBondContact OD2-CB 3.44Å; D319-S323 WeakPolarHBondContact O-CB 3.43Å; D319-S323 PolarHBondContact O-N 2.73Å; D319-I351 HydrophobicContact CB-CD1 4.18Å
320E96Very high96.8Very high113 Ų11335.9 Ų35.953%0.52819%0.19SC..Hα-helixtrans-60.6-36.7-179.2-176.7174.6175.400111.5H316 S323 N324H316-E320 IonicContact CE1-OE1 2.68Å; H316-E320 WeakPolarHBondContact O-CA 3.43Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 2.84Å; E320-N324 VanDerWaalsContact O-CB 3.28Å; E320-N324 WeakPolarHBondContact O-CB 3.46Å; E320-N324 PolarHBondContact O-N 3.15Å; E320-N324 PolarHBondContact O-ND2 3.5Å
321E96.5Very high96.7Very high159 Ų15938.6 Ų38.674%0.74320%0.202SC*.Hα-helixtrans-65.5-49.1179.3-172.7175.4-173.100111.5D319 S323 N324 A325D319-E321 PolarHBondContact O-N 3.47Å; E321-S323 VanDerWaalsContact C-N 3.31Å; E321-S323 PolarHBondContact O-N 2.6Å; E321-N324 PolarHBondContact O-N 3.12Å; E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 3.11Å
322A96.1Very high96.5Very high32 Ų3246.9 Ų46.926%0.26424%0.24SC..Hα-helixtrans-63.6-37.3175.300000111.9D319 L326D319-A322 HydrophobicContact CB-CB 4.05Å; D319-A322 PolarHBondContact O-N 3.22Å; D319-A322 VanDerWaalsContact OD1-CB 3.28Å; D319-A322 WeakPolarHBondContact OD1-CB 3.27Å; D319-A322 PolarHBondContact OD1-N 2.77Å; D319-A322 WeakPolarHBondContact OD2-CB 3.44Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.38Å; A322-L326 PolarHBondContact O-N 2.81Å
323S96.5Very high96.4Very high1 Ų153.1 Ų53.11%0.00726%0.264CS..Hα-helixtrans-60.1-48173.7-172.20000111.4D319 E320 E321 L326 R327D319-S323 WeakPolarHBondContact O-CB 3.43Å; D319-S323 PolarHBondContact O-N 2.73Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 2.84Å; E321-S323 VanDerWaalsContact C-N 3.31Å; E321-S323 PolarHBondContact O-N 2.6Å; S323-L326 PolarHBondContact O-N 3.41Å; S323-R327 VanDerWaalsContact O-CG 3.27Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 3.03Å
324N96.5Very high96.2Very high20 Ų2056.4 Ų56.411%0.10730%0.298CS..Hα-helixtrans-67.1-40.7-179.1-71.1-15000112P242 E320 E321 R327 R328P242-N324 HydrophobicContact CG-CB 3.72Å; P242-N324 VanDerWaalsContact CG-CG 3.41Å; P242-N324 VanDerWaalsContact CG-OD1 3.25Å; P242-N324 WeakPolarHBondContact CG-OD1 3.34Å; E320-N324 VanDerWaalsContact O-CB 3.28Å; E320-N324 WeakPolarHBondContact O-CB 3.46Å; E320-N324 PolarHBondContact O-N 3.15Å; E320-N324 PolarHBondContact O-ND2 3.5Å; E321-N324 PolarHBondContact O-N 3.12Å; N324-R327 PolarHBondContact O-N 3.45Å; N324-R328 WeakPolarHBondContact O-CG 3.18Å; N324-R328 PolarHBondContact O-N 3.06Å
325A97.1Very high96Very high51 Ų5159.4 Ų59.442%0.42131%0.312SS..Hα-helixtrans-62.6-43.4173.200000111.8E321 R327 R328 A329E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 3.11Å; A325-R327 PolarHBondContact O-N 3.42Å; A325-R328 PolarHBondContact O-N 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.04Å
326L96.3Very high95.9Very high34 Ų3464.1 Ų64.118%0.17834%0.337CS..Hα-helixtrans-64.4-39.6177.7-167.170.1000111.7L315 A322 S323 F330 A343L315-L326 HydrophobicContact CD2-CD2 3.92Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.38Å; A322-L326 PolarHBondContact O-N 2.81Å; S323-L326 PolarHBondContact O-N 3.41Å; L326-F330 HydrophobicContact CD1-CD2 3.8Å; L326-F330 HydrophobicContact CD1-CE2 3.44Å; L326-F330 VanDerWaalsContact CD1-CE2 3.44Å; L326-F330 HydrophobicContact CD1-CZ 4.5Å; L326-F330 HydrophobicContact CG-CD2 4.02Å; L326-F330 HydrophobicContact CG-CE2 4.06Å; L326-F330 WeakPolarHBondContact O-CB 3.49Å; L326-F330 VanDerWaalsContact O-CD2 3.22Å; L326-F330 WeakPolarHBondContact O-CD2 3.28Å; L326-F330 PolarHBondContact O-N 3.29Å; L326-A343 HydrophobicContact CD1-CB 4.25Å; L326-A343 HydrophobicContact CD2-CB 4.31Å
327R96.2Very high95.7Very high0 Ų063.6 Ų63.60%034%0.336CS..Hα-helixtrans-61.3-48.2174.8-72.6170.263.51797.5111.8T240 E241 L253 D254 S323 N324 A325 F330 K331 W340T240-R327 PolarHBondContact O-NE 3.07Å; T240-R327 PolarHBondContact O-NH2 2.75Å; T240-R327 PolarHBondContact OG1-NH2 2.97Å; E241-R327 PolarHBondContact O-NH2 2.82Å; L253-R327 HydrophobicContact CD1-CG 3.82Å; D254-R327 IonicContact OD1-CZ 3.22Å; D254-R327 VanDerWaalsContact OD1-CZ 3.3Å; D254-R327 IonicContact OD1-NH1 2.73Å; D254-R327 PolarHBondContact OD1-NH1 3.26Å; D254-R327 IonicContact OD1-NH2 2.9Å; D254-R327 PolarHBondContact OD1-NH2 2.95Å; D254-R327 IonicContact OD2-CZ 2.71Å; D254-R327 IonicContact OD2-NH1 2.9Å; D254-R327 IonicContact OD2-NH2 2.67Å; D254-R327 PolarHBondContact OD2-NH2 3.18Å; S323-R327 VanDerWaalsContact O-CG 3.27Å; S323-R327 WeakPolarHBondContact O-CG 3.48Å; S323-R327 PolarHBondContact O-N 3.03Å; N324-R327 PolarHBondContact O-N 3.45Å; A325-R327 PolarHBondContact O-N 3.42Å; R327-F330 PolarHBondContact O-N 3.29Å; R327-K331 WeakPolarHBondContact O-CB 3.5Å; R327-K331 PolarHBondContact O-N 3.2Å; R327-W340 HydrophobicContact CG-CZ2 4.48Å
328R96.2Very high95.7Very high126 Ų12664.4 Ų64.448%0.47535%0.348SS..Hα-helixtrans-58.5-51.6176.4-72.9173.9-166.6131.51.8111.6E241 N324 A325 F330 K331 E332E241-R328 HydrophobicContact CG-CG 3.89Å; N324-R328 WeakPolarHBondContact O-CG 3.18Å; N324-R328 PolarHBondContact O-N 3.06Å; A325-R328 PolarHBondContact O-N 3.25Å; R328-F330 VanDerWaalsContact C-N 3.3Å; R328-F330 PolarHBondContact O-N 3.38Å; R328-K331 PolarHBondContact O-N 3.08Å; R328-E332 WeakPolarHBondContact O-CB 3.38Å; R328-E332 PolarHBondContact O-N 3.04Å
329A96.5Very high95.7Very high41 Ų4163.8 Ų63.834%0.33935%0.348SS..Hα-helixtrans-63.6-31.9-177.800000113.7A325 R333A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 3.04Å; A329-R333 VanDerWaalsContact O-CG 3.29Å; A329-R333 WeakPolarHBondContact O-CG 3.4Å; A329-R333 PolarHBondContact O-N 3.23Å; A329-R333 PolarHBondContact O-NE 3.24Å
330F95.9Very high95.8Very high21 Ų2161.5 Ų61.59%0.09234%0.335CS..Hα-helixtrans-81.1-33.3176.6-86.3-107.3000112.6V239 L326 R327 R328 R333 G334 E335 S339 W340 A343V239-F330 HydrophobicContact CG1-CB 4.03Å; L326-F330 HydrophobicContact CD1-CD2 3.8Å; L326-F330 HydrophobicContact CD1-CE2 3.44Å; L326-F330 VanDerWaalsContact CD1-CE2 3.44Å; L326-F330 HydrophobicContact CD1-CZ 4.5Å; L326-F330 HydrophobicContact CG-CD2 4.02Å; L326-F330 HydrophobicContact CG-CE2 4.06Å; L326-F330 WeakPolarHBondContact O-CB 3.49Å; L326-F330 VanDerWaalsContact O-CD2 3.22Å; L326-F330 WeakPolarHBondContact O-CD2 3.28Å; L326-F330 PolarHBondContact O-N 3.29Å; R327-F330 PolarHBondContact O-N 3.29Å; R328-F330 VanDerWaalsContact C-N 3.3Å; R328-F330 PolarHBondContact O-N 3.38Å; F330-R333 VanDerWaalsContact CD2-NH2 3.31Å; F330-G334 PolarHBondContact O-N 2.87Å; F330-E335 HydrophobicContact CB-CB 4.28Å; F330-E335 HydrophobicContact CD1-CB 3.55Å; F330-E335 HydrophobicContact CD1-CG 3.88Å; F330-E335 HydrophobicContact CE1-CB 4.3Å; F330-E335 HydrophobicContact CE1-CG 4.31Å; F330-E335 HydrophobicContact CG-CB 4.31Å; F330-E335 PolarHBondContact O-N 2.87Å; F330-S339 VanDerWaalsContact CE1-C 3.46Å; F330-S339 WeakPolarHBondContact CE1-O 3.27Å; F330-W340 HydrophobicContact CB-CB 4.23Å; F330-W340 HydrophobicContact CD1-CB 3.69Å; F330-W340 HydrophobicContact CE1-CB 4.33Å; F330-W340 HydrophobicContact CG-CB 4.04Å; F330-A343 HydrophobicContact CE1-CB 3.91Å; F330-A343 HydrophobicContact CE2-CB 3.65Å; F330-A343 HydrophobicContact CZ-CB 3.15Å
331K94.2Very high95.8Very high63 Ų6357.5 Ų57.527%0.27432%0.315SS..Hα-helixtrans-66.5-45.1172.8-174.4-169.1169.7-1690111.4V239 E241 E244 R327 R328 R333 G334V239-K331 HydrophobicContact CG1-CB 4.2Å; E241-K331 HydrophobicContact CB-CD 4.39Å; E241-K331 VanDerWaalsContact CD-NZ 3.33Å; E241-K331 HydrophobicContact CG-CD 3.63Å; E241-K331 VanDerWaalsContact OE1-CD 3.29Å; E241-K331 WeakPolarHBondContact OE1-CD 3.3Å; E241-K331 WeakPolarHBondContact OE1-CE 3.33Å; E241-K331 IonicContact OE1-NZ 2.63Å; E241-K331 PolarHBondContact OE1-NZ 2.91Å; E244-K331 VanDerWaalsContact OE1-CE 3.27Å; E244-K331 WeakPolarHBondContact OE1-CE 3.47Å; E244-K331 IonicContact OE1-NZ 3.51Å; E244-K331 PolarHBondContact OE1-NZ 3Å; E244-K331 WeakPolarHBondContact OE2-CD 3.48Å; E244-K331 WeakPolarHBondContact OE2-CE 3.28Å; E244-K331 IonicContact OE2-NZ 3.38Å; E244-K331 PolarHBondContact OE2-NZ 3.44Å; R327-K331 WeakPolarHBondContact O-CB 3.5Å; R327-K331 PolarHBondContact O-N 3.2Å; R328-K331 PolarHBondContact O-N 3.08Å; K331-R333 VanDerWaalsContact C-N 3.27Å; K331-R333 PolarHBondContact O-N 2.8Å; K331-G334 PolarHBondContact O-N 3.4Å
332E94.9Very high95.9Very high173 Ų17355.1 Ų55.181%0.80830%0.304SS*.Hα-helixtrans-59-38.9177.8-174.5-179.6-176.600111.8R328 G334R328-E332 WeakPolarHBondContact O-CB 3.38Å; R328-E332 PolarHBondContact O-N 3.04Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 3.26Å
333R95.8Very high95.9Very high132 Ų13254.9 Ų54.950%0.49830%0.302SS..THydrogen-bonded Turntrans-78.1-4175.5-66.3-173.4-57.8120.74.3114.3A329 F330 K331 E335A329-R333 VanDerWaalsContact O-CG 3.29Å; A329-R333 WeakPolarHBondContact O-CG 3.4Å; A329-R333 PolarHBondContact O-N 3.23Å; A329-R333 PolarHBondContact O-NE 3.24Å; F330-R333 VanDerWaalsContact CD2-NH2 3.31Å; K331-R333 VanDerWaalsContact C-N 3.27Å; K331-R333 PolarHBondContact O-N 2.8Å; R333-E335 VanDerWaalsContact C-N 3.26Å; R333-E335 HydrophobicContact CB-CG 3.82Å; R333-E335 IonicContact CZ-OE1 2.84Å; R333-E335 IonicContact NH1-OE1 3.59Å; R333-E335 PolarHBondContact NH1-OE1 3.48Å; R333-E335 IonicContact NH2-OE1 2.8Å; R333-E335 PolarHBondContact O-N 3.18Å
334G93.2Very high96Very high69 Ų6954.8 Ų54.871%0.71130%0.302SS*.THydrogen-bonded Turntrans6527.6-178.100000114F330 K331 E332F330-G334 PolarHBondContact O-N 2.87Å; K331-G334 PolarHBondContact O-N 3.4Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 3.26Å
335E94.4Very high96Very high64 Ų6454.4 Ų54.430%0.29930%0.299SS..  trans-75.2150.8-174.6-71.7-84-163.600112.5F330 R333 S339F330-E335 HydrophobicContact CB-CB 4.28Å; F330-E335 HydrophobicContact CD1-CB 3.55Å; F330-E335 HydrophobicContact CD1-CG 3.88Å; F330-E335 HydrophobicContact CE1-CB 4.3Å; F330-E335 HydrophobicContact CE1-CG 4.31Å; F330-E335 HydrophobicContact CG-CB 4.31Å; F330-E335 PolarHBondContact O-N 2.87Å; R333-E335 VanDerWaalsContact C-N 3.26Å; R333-E335 HydrophobicContact CB-CG 3.82Å; R333-E335 IonicContact CZ-OE1 2.84Å; R333-E335 IonicContact NH1-OE1 3.59Å; R333-E335 PolarHBondContact NH1-OE1 3.48Å; R333-E335 IonicContact NH2-OE1 2.8Å; R333-E335 PolarHBondContact O-N 3.18Å; E335-S339 VanDerWaalsContact OE2-CB 3.31Å; E335-S339 WeakPolarHBondContact OE2-CB 3.42Å; E335-S339 PolarHBondContact OE2-OG 2.8Å
336N93.7Very high96Very high99 Ų9959.6 Ų59.653%0.52931%0.312SS..  trans-75.1160.7175.868.767.2000111.9G338 S339 W340N336-G338 PolarHBondContact O-N 3.47Å; N336-G338 WeakPolarHBondContact OD1-CA 3.3Å; N336-G338 PolarHBondContact OD1-N 3.31Å; N336-S339 PolarHBondContact ND2-OG 2.91Å; N336-S339 WeakPolarHBondContact O-CB 3.37Å; N336-S339 PolarHBondContact O-N 3.38Å; N336-S339 VanDerWaalsContact O-N 3.14Å; N336-S339 PolarHBondContact OD1-N 3.48Å; N336-S339 PolarHBondContact OD1-OG 3.38Å; N336-W340 PolarHBondContact O-N 2.83Å; N336-W340 VanDerWaalsContact O-N 3.14Å
337V95Very high96Very high17 Ų1759.3 Ų59.310%0.10331%0.312CS..Hα-helixtrans-60.3-29.4179.1175.10000112.4F237 I238 V239 Y309 W340 R341F237-V337 HydrophobicContact CB-CG1 4.45Å; F237-V337 HydrophobicContact CB-CG2 4.26Å; F237-V337 WeakPolarHBondContact O-CG2 3.41Å; I238-V337 VanDerWaalsContact CA-CG2 3.48Å; V239-V337 HydrophobicContact CG2-CG2 4.01Å; Y309-V337 HydrophobicContact CE1-CG1 3.7Å; V337-W340 HydrophobicContact CG1-CE3 4.01Å; V337-W340 HydrophobicContact CG1-CZ3 4.29Å; V337-R341 WeakPolarHBondContact O-CB 3.41Å; V337-R341 PolarHBondContact O-N 3.37Å
338G95.3Very high96.1Very high38 Ų3859.4 Ų59.439%0.39231%0.313SS..Hα-helixtrans-62.8-48.1174.700000112.2N336 R341 Q342N336-G338 PolarHBondContact O-N 3.47Å; N336-G338 WeakPolarHBondContact OD1-CA 3.3Å; N336-G338 PolarHBondContact OD1-N 3.31Å; G338-R341 PolarHBondContact O-N 3.33Å; G338-Q342 WeakPolarHBondContact O-CG 3.38Å; G338-Q342 PolarHBondContact O-N 2.97Å
339S96.7Very high96.1Very high39 Ų3953.9 Ų53.927%0.27329%0.293SS..Hα-helixtrans-59.6-49.3175.4-57.70000111.1F330 E335 N336 R341 Q342 A343F330-S339 VanDerWaalsContact CE1-C 3.46Å; F330-S339 WeakPolarHBondContact CE1-O 3.27Å; E335-S339 VanDerWaalsContact OE2-CB 3.31Å; E335-S339 WeakPolarHBondContact OE2-CB 3.42Å; E335-S339 PolarHBondContact OE2-OG 2.8Å; N336-S339 PolarHBondContact ND2-OG 2.91Å; N336-S339 WeakPolarHBondContact O-CB 3.37Å; N336-S339 PolarHBondContact O-N 3.38Å; N336-S339 VanDerWaalsContact O-N 3.14Å; N336-S339 PolarHBondContact OD1-N 3.48Å; N336-S339 PolarHBondContact OD1-OG 3.38Å; S339-R341 PolarHBondContact O-N 3.16Å; S339-Q342 PolarHBondContact O-N 2.94Å; S339-A343 PolarHBondContact O-N 2.96Å
340W97.8Very high96.1Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-58.9-46.9177.3165.778.4000111.6V239 L253 L256 F257 Y309 C312 R327 F330 N336 V337 Q342 A343 C344V239-W340 HydrophobicContact CG1-CG 4.5Å; V239-W340 HydrophobicContact CG2-CB 3.7Å; V239-W340 HydrophobicContact CG2-CG 4.06Å; L253-W340 HydrophobicContact CD1-CD2 4.01Å; L253-W340 HydrophobicContact CD1-CE3 4.3Å; L253-W340 HydrophobicContact CD1-CH2 3.88Å; L253-W340 HydrophobicContact CD1-CZ2 3.59Å; L253-W340 HydrophobicContact CD1-CZ3 4.23Å; L253-W340 HydrophobicContact CD2-CE3 4.1Å; L253-W340 HydrophobicContact CD2-CH2 3.68Å; L253-W340 HydrophobicContact CD2-CZ2 4.28Å; L253-W340 HydrophobicContact CD2-CZ3 3.58Å; L253-W340 HydrophobicContact CG-CH2 4.3Å; L253-W340 HydrophobicContact CG-CZ2 4.46Å; L256-W340 HydrophobicContact CD2-CH2 4.33Å; L256-W340 HydrophobicContact CD2-CZ3 4.38Å; F257-W340 HydrophobicContact CE1-CH2 4.35Å; F257-W340 HydrophobicContact CZ-CH2 4.19Å; F257-W340 HydrophobicContact CZ-CZ2 4.09Å; Y309-W340 HydrophobicContact CD1-CZ3 4.15Å; Y309-W340 HydrophobicContact CE1-CZ3 4.3Å; C312-W340 HydrophobicContact CB-CH2 3.53Å; C312-W340 HydrophobicContact CB-CZ2 4.06Å; C312-W340 HydrophobicContact CB-CZ3 4.13Å; R327-W340 HydrophobicContact CG-CZ2 4.48Å; F330-W340 HydrophobicContact CB-CB 4.23Å; F330-W340 HydrophobicContact CD1-CB 3.69Å; F330-W340 HydrophobicContact CE1-CB 4.33Å; F330-W340 HydrophobicContact CG-CB 4.04Å; N336-W340 PolarHBondContact O-N 2.83Å; N336-W340 VanDerWaalsContact O-N 3.14Å; V337-W340 HydrophobicContact CG1-CE3 4.01Å; V337-W340 HydrophobicContact CG1-CZ3 4.29Å; W340-Q342 VanDerWaalsContact C-N 3.32Å; W340-Q342 PolarHBondContact O-N 3.45Å; W340-A343 WeakPolarHBondContact O-CB 3.27Å; W340-A343 PolarHBondContact O-N 3.22Å; W340-A343 VanDerWaalsContact O-N 3.12Å; W340-C344 PolarHBondContact O-N 3.32Å; W340-C344 VanDerWaalsContact O-N 3.11Å; W340-C344 PolarHBondContact O-SG 2.94Å
341R97.3Very high96.1Very high28 Ų2855.5 Ų55.511%0.10630%0.297CS..Hα-helixtrans-58.6-42.7178.4178.3-174.9174.2-81-8.4111.8H308 Y309 H311 V337 G338 S339 A343 C344 Y345H308-R341 PolarHBondContact CD2-NE 2.95Å; H308-R341 VanDerWaalsContact CE1-CZ 3.45Å; H308-R341 WeakPolarHBondContact NE2-CD 3.34Å; H308-R341 PolarHBondContact NE2-NE 3Å; H308-R341 VanDerWaalsContact NE2-NE 3.12Å; H308-R341 PolarHBondContact O-NE 3.43Å; H308-R341 PolarHBondContact O-NH2 3.46Å; Y309-R341 HydrophobicContact CD1-CG 4.21Å; Y309-R341 HydrophobicContact CE1-CB 4.35Å; Y309-R341 HydrophobicContact CE1-CG 4.25Å; H311-R341 VanDerWaalsContact CE1-CG 3.46Å; H311-R341 WeakPolarHBondContact CE1-CG 3.32Å; H311-R341 PolarHBondContact NE2-O 3.08Å; V337-R341 WeakPolarHBondContact O-CB 3.41Å; V337-R341 PolarHBondContact O-N 3.37Å; G338-R341 PolarHBondContact O-N 3.33Å; S339-R341 PolarHBondContact O-N 3.16Å; R341-A343 VanDerWaalsContact C-N 3.35Å; R341-C344 PolarHBondContact O-N 3.45Å; R341-Y345 PolarHBondContact NH2-OH 3.1Å
342Q97.2Very high96.2Very high109 Ų10952.5 Ų52.551%0.50928%0.284SS..Hα-helixtrans-67.4-38.2177.6-67.9-65.53.700111.6G338 S339 W340 C344 Y345G338-Q342 WeakPolarHBondContact O-CG 3.38Å; G338-Q342 PolarHBondContact O-N 2.97Å; S339-Q342 PolarHBondContact O-N 2.94Å; W340-Q342 VanDerWaalsContact C-N 3.32Å; W340-Q342 PolarHBondContact O-N 3.45Å; Q342-C344 PolarHBondContact O-N 2.98Å; Q342-Y345 WeakPolarHBondContact O-CD2 3.36Å; Q342-Y345 PolarHBondContact O-N 3.48Å
343A97.3Very high96.2Very high27 Ų2747.1 Ų47.122%0.22326%0.264CS..Hα-helixtrans-65.3-27178.200000113.5L326 F330 S339 W340 R341 Y345 K346 P347L326-A343 HydrophobicContact CD1-CB 4.25Å; L326-A343 HydrophobicContact CD2-CB 4.31Å; F330-A343 HydrophobicContact CE1-CB 3.91Å; F330-A343 HydrophobicContact CE2-CB 3.65Å; F330-A343 HydrophobicContact CZ-CB 3.15Å; S339-A343 PolarHBondContact O-N 2.96Å; W340-A343 WeakPolarHBondContact O-CB 3.27Å; W340-A343 PolarHBondContact O-N 3.22Å; W340-A343 VanDerWaalsContact O-N 3.12Å; R341-A343 VanDerWaalsContact C-N 3.35Å; A343-Y345 PolarHBondContact O-N 2.93Å; A343-K346 PolarHBondContact O-N 2.91Å; A343-P347 WeakPolarHBondContact O-CD 3.39Å
344C97.8Very high96.1Very high0 Ų049.1 Ų49.10%027%0.272CS..THydrogen-bonded Turntrans-60.9-20.8175.1-65.60000114.1C312 L315 W340 R341 Q342 P347 L348C312-C344 VanDerWaalsContact SG-SG 3.66Å; L315-C344 HydrophobicContact CD2-CB 4.14Å; W340-C344 PolarHBondContact O-N 3.32Å; W340-C344 VanDerWaalsContact O-N 3.11Å; W340-C344 PolarHBondContact O-SG 2.94Å; R341-C344 PolarHBondContact O-N 3.45Å; Q342-C344 PolarHBondContact O-N 2.98Å; C344-P347 WeakPolarHBondContact O-CD 3.17Å; C344-P347 WeakPolarHBondContact O-CG 3.17Å; C344-L348 WeakPolarHBondContact O-CD1 2.85Å; C344-L348 WeakPolarHBondContact O-CG 3.37Å
345Y97.7Very high96.1Very high12 Ų1251.4 Ų51.45%0.04726%0.264CS..Hα-helixtrans-68.5-41178.8-73.3-67.1000112.7H311 R341 Q342 A343 L348 V349 K377 L378 L381H311-Y345 HydrophobicContact CB-CD1 4.41Å; H311-Y345 HydrophobicContact CB-CE1 3.98Å; H311-Y345 AromaticContact CD2-CD1 3.69Å; H311-Y345 AromaticContact CD2-CE1 3.47Å; H311-Y345 VanDerWaalsContact CD2-CE1 3.47Å; H311-Y345 WeakPolarHBondContact CD2-CE1 3.29Å; H311-Y345 AromaticContact CD2-CE2 3.89Å; H311-Y345 AromaticContact CD2-CG 3.97Å; H311-Y345 AromaticContact CD2-CZ 3.57Å; H311-Y345 AromaticContact CE1-CZ 3.64Å; H311-Y345 PolarHBondContact CE1-OH 2.91Å; H311-Y345 AromaticContact CG-CE1 3.52Å; H311-Y345 AromaticContact CG-CZ 3.75Å; H311-Y345 AromaticContact ND1-CZ 3.8Å; H311-Y345 AromaticContact NE2-CD2 3.99Å; H311-Y345 AromaticContact NE2-CE1 3.91Å; H311-Y345 AromaticContact NE2-CE2 3.54Å; H311-Y345 AromaticContact NE2-CZ 3.48Å; R341-Y345 PolarHBondContact NH2-OH 3.1Å; Q342-Y345 WeakPolarHBondContact O-CD2 3.36Å; Q342-Y345 PolarHBondContact O-N 3.48Å; A343-Y345 PolarHBondContact O-N 2.93Å; Y345-L348 WeakPolarHBondContact O-CB 3.27Å; Y345-L348 PolarHBondContact O-N 3.31Å; Y345-V349 WeakPolarHBondContact O-CG2 3.3Å; Y345-V349 PolarHBondContact O-N 3.44Å; Y345-K377 HydrophobicContact CE1-CB 4.42Å; Y345-K377 HydrophobicContact CE1-CG 4.34Å; Y345-K377 HydrophobicContact CE2-CG 4.46Å; Y345-L378 HydrophobicContact CD1-CB 4.22Å; Y345-L378 HydrophobicContact CD1-CD1 4.01Å; Y345-L378 HydrophobicContact CE1-CB 4.05Å; Y345-L381 HydrophobicContact CD1-CD1 3.86Å; Y345-L381 HydrophobicContact CD2-CD1 4.3Å; Y345-L381 HydrophobicContact CG-CD1 3.72Å
346K96.3Very high96.1Very high159 Ų15951.2 Ų51.269%0.69128%0.28SS*.Hα-helixtrans-57.4-52.8-175.6-175.3175.4-178.3176.20113.8A343 L348 V349 N350A343-K346 PolarHBondContact O-N 2.91Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 3.07Å; K346-V349 PolarHBondContact O-N 3.29Å; K346-N350 PolarHBondContact O-N 3.1Å; K346-N350 VanDerWaalsContact O-N 3.1Å
347P97.1Very high96.1Very high29 Ų2948.7 Ų48.719%0.18826%0.263CS..Hα-helixtrans-63.9-31.5178.425.4-34.4000112.7L315 A343 C344 N350 I351L315-P347 HydrophobicContact CD1-CB 3.73Å; L315-P347 HydrophobicContact CD1-CG 3.65Å; L315-P347 HydrophobicContact CD2-CG 3.59Å; L315-P347 HydrophobicContact CG-CG 4.26Å; A343-P347 WeakPolarHBondContact O-CD 3.39Å; C344-P347 WeakPolarHBondContact O-CD 3.17Å; C344-P347 WeakPolarHBondContact O-CG 3.17Å; P347-N350 WeakPolarHBondContact O-CB 3.25Å; P347-N350 PolarHBondContact O-N 3.4Å; P347-I351 WeakPolarHBondContact O-CG1 3.45Å; P347-I351 PolarHBondContact O-N 3.38Å
348L97.3Very high96.1Very high1 Ų151.6 Ų51.61%0.00528%0.278CS..Hα-helixtrans-67.5-39.8174.7-70.1169.5000113H311 A314 L315 L318 C344 Y345 K346 N350 I351 A352 L378H311-L348 HydrophobicContact CB-CD1 3.71Å; H311-L348 VanDerWaalsContact O-CD1 3.29Å; H311-L348 WeakPolarHBondContact O-CD1 3.25Å; A314-L348 HydrophobicContact CB-CD2 4.16Å; L315-L348 HydrophobicContact CB-CD1 4.49Å; L315-L348 HydrophobicContact CB-CD2 4.14Å; L315-L348 HydrophobicContact CB-CG 4.21Å; L315-L348 HydrophobicContact CD1-CD2 4.46Å; L315-L348 HydrophobicContact CD1-CG 4.5Å; L318-L348 HydrophobicContact CD1-CD2 3.85Å; C344-L348 WeakPolarHBondContact O-CD1 2.85Å; C344-L348 WeakPolarHBondContact O-CG 3.37Å; Y345-L348 WeakPolarHBondContact O-CB 3.27Å; Y345-L348 PolarHBondContact O-N 3.31Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 3.07Å; L348-N350 VanDerWaalsContact C-N 3.29Å; L348-N350 PolarHBondContact O-N 2.68Å; L348-I351 HydrophobicContact CD2-CD1 4.3Å; L348-I351 WeakPolarHBondContact O-CB 3.43Å; L348-I351 PolarHBondContact O-N 2.95Å; L348-A352 PolarHBondContact O-N 2.68Å; L348-L378 HydrophobicContact CB-CD1 3.8Å; L348-L378 HydrophobicContact CD1-CD1 4.17Å; L348-L378 HydrophobicContact CD1-CD2 4.09Å
349V96.8Very high96.1Very high11 Ų1150 Ų507%0.06726%0.26CS..Hα-helixtrans-63.5-39.2174.61750000110.1Y345 K346 I351 A352 C353 W357 L378 L381 E385Y345-V349 WeakPolarHBondContact O-CG2 3.3Å; Y345-V349 PolarHBondContact O-N 3.44Å; K346-V349 PolarHBondContact O-N 3.29Å; V349-I351 PolarHBondContact O-N 2.9Å; V349-A352 WeakPolarHBondContact O-CB 3.35Å; V349-A352 PolarHBondContact O-N 3.14Å; V349-C353 PolarHBondContact O-N 2.89Å; V349-W357 HydrophobicContact CG1-CZ3 3.97Å; V349-L378 HydrophobicContact CG2-CD1 4.4Å; V349-L381 HydrophobicContact CG2-CB 3.93Å; V349-E385 HydrophobicContact CG1-CB 3.7Å; V349-E385 HydrophobicContact CG1-CG 3.8Å
350N96.1Very high96.1Very high86 Ų8650.9 Ų50.946%0.4626%0.262SS..Hα-helixtrans-62.9-40.8173.1-67.4-9.1000112.1K346 P347 L348 C353 R354K346-N350 PolarHBondContact O-N 3.1Å; K346-N350 VanDerWaalsContact O-N 3.1Å; P347-N350 WeakPolarHBondContact O-CB 3.25Å; P347-N350 PolarHBondContact O-N 3.4Å; L348-N350 VanDerWaalsContact C-N 3.29Å; L348-N350 PolarHBondContact O-N 2.68Å; N350-C353 WeakPolarHBondContact O-CB 3.27Å; N350-C353 PolarHBondContact O-N 3.36Å; N350-R354 PolarHBondContact O-N 3.02Å
351I95.6Very high96Very high9 Ų953 Ų535%0.04628%0.279CS..Hα-helixtrans-61.2-45.9173-68.1159000110.2L315 L318 D319 P347 L348 V349 C353 R354 H355 V362L315-I351 HydrophobicContact CD1-CD1 4.39Å; L318-I351 HydrophobicContact CB-CD1 4.03Å; L318-I351 HydrophobicContact CD1-CD1 4.46Å; L318-I351 HydrophobicContact CD1-CG2 4.41Å; D319-I351 HydrophobicContact CB-CD1 4.18Å; P347-I351 WeakPolarHBondContact O-CG1 3.45Å; P347-I351 PolarHBondContact O-N 3.38Å; L348-I351 HydrophobicContact CD2-CD1 4.3Å; L348-I351 WeakPolarHBondContact O-CB 3.43Å; L348-I351 PolarHBondContact O-N 2.95Å; V349-I351 PolarHBondContact O-N 2.9Å; I351-C353 VanDerWaalsContact C-N 3.33Å; I351-C353 PolarHBondContact O-N 3.28Å; I351-R354 VanDerWaalsContact CG1-NH2 3.29Å; I351-R354 PolarHBondContact O-N 3.34Å; I351-R354 VanDerWaalsContact O-N 3.11Å; I351-H355 PolarHBondContact O-CD2 3.34Å; I351-H355 PolarHBondContact O-N 3.22Å; I351-V362 HydrophobicContact CG2-CG1 4.05Å
352A95.9Very high95.9Very high0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-59.8-4217800000112L348 V349 R354 H355 G356 W357 I359 C382L348-A352 PolarHBondContact O-N 2.68Å; V349-A352 WeakPolarHBondContact O-CB 3.35Å; V349-A352 PolarHBondContact O-N 3.14Å; A352-R354 VanDerWaalsContact C-N 3.26Å; A352-R354 PolarHBondContact O-N 2.99Å; A352-H355 CarbonylContact O-C 3.44Å; A352-H355 PolarHBondContact O-N 3.28Å; A352-G356 PolarHBondContact O-N 3.12Å; A352-W357 VanDerWaalsContact O-CA 3.28Å; A352-W357 WeakPolarHBondContact O-CA 3.44Å; A352-W357 PolarHBondContact O-N 2.98Å; A352-I359 HydrophobicContact CB-CD1 4.23Å; A352-C382 HydrophobicContact CB-CB 4.46Å; A352-C382 VanDerWaalsContact CB-SG 3.6Å
353C95.4Very high95.9Very high60 Ų6046.8 Ų46.841%0.40525%0.252SS..Hα-helixtrans-56.1-39.3175.4-177.80000112.2V349 N350 I351 H355 W357V349-C353 PolarHBondContact O-N 2.89Å; N350-C353 WeakPolarHBondContact O-CB 3.27Å; N350-C353 PolarHBondContact O-N 3.36Å; I351-C353 VanDerWaalsContact C-N 3.33Å; I351-C353 PolarHBondContact O-N 3.28Å; C353-H355 VanDerWaalsContact C-N 3.29Å; C353-H355 PolarHBondContact O-N 3.25Å; C353-W357 HydrophobicContact CB-CD2 4.47Å; C353-W357 HydrophobicContact CB-CE3 4.38Å; C353-W357 HydrophobicContact CB-CH2 3.67Å; C353-W357 HydrophobicContact CB-CZ2 3.76Å; C353-W357 HydrophobicContact CB-CZ3 3.98Å; C353-W357 WeakPolarHBondContact SG-CZ2 3.32Å
354R94.2Very high95.9Very high175 Ų17549.6 Ų49.666%0.6626%0.263SS*.Hα-helixtrans-71.2-22.3177.9-64.8-174-64.8-139.87.6113.5N350 I351 A352N350-R354 PolarHBondContact O-N 3.02Å; I351-R354 VanDerWaalsContact CG1-NH2 3.29Å; I351-R354 PolarHBondContact O-N 3.34Å; I351-R354 VanDerWaalsContact O-N 3.11Å; A352-R354 VanDerWaalsContact C-N 3.26Å; A352-R354 PolarHBondContact O-N 2.99Å
355H93.6Very high95.8Very high116 Ų11653.5 Ų53.554%0.53730%0.296SS..THydrogen-bonded Turntrans-10329178.7-75.5-93.2000112.7I351 A352 C353 W357 D358 V362I351-H355 PolarHBondContact O-CD2 3.34Å; I351-H355 PolarHBondContact O-N 3.22Å; A352-H355 CarbonylContact O-C 3.44Å; A352-H355 PolarHBondContact O-N 3.28Å; C353-H355 VanDerWaalsContact C-N 3.29Å; C353-H355 PolarHBondContact O-N 3.25Å; H355-W357 VanDerWaalsContact C-N 3.28Å; H355-W357 PolarHBondContact O-N 2.98Å; H355-D358 PolarHBondContact O-N 3.36Å; H355-V362 HydrophobicContact CB-CG2 3.53Å
356G93.2Very high95.7Very high61 Ų6155.3 Ų55.363%0.62930%0.304SS*.THydrogen-bonded Turntrans67.427177.100000114.1A352 D358A352-G356 PolarHBondContact O-N 3.12Å; G356-D358 PolarHBondContact O-N 3.4Å
357W93.9Very high95.7Very high46 Ų4652.3 Ų52.317%0.17430%0.301CS..THydrogen-bonded Turntrans66.112.3-178.6-54.197.2000115.7V349 A352 C353 H355 I359 E385 R386 A389V349-W357 HydrophobicContact CG1-CZ3 3.97Å; A352-W357 VanDerWaalsContact O-CA 3.28Å; A352-W357 WeakPolarHBondContact O-CA 3.44Å; A352-W357 PolarHBondContact O-N 2.98Å; C353-W357 HydrophobicContact CB-CD2 4.47Å; C353-W357 HydrophobicContact CB-CE3 4.38Å; C353-W357 HydrophobicContact CB-CH2 3.67Å; C353-W357 HydrophobicContact CB-CZ2 3.76Å; C353-W357 HydrophobicContact CB-CZ3 3.98Å; C353-W357 WeakPolarHBondContact SG-CZ2 3.32Å; H355-W357 VanDerWaalsContact C-N 3.28Å; H355-W357 PolarHBondContact O-N 2.98Å; W357-I359 PolarHBondContact O-N 2.77Å; W357-E385 HydrophobicContact CH2-CB 3.72Å; W357-E385 HydrophobicContact CH2-CG 3.77Å; W357-E385 HydrophobicContact CZ3-CB 3.66Å; W357-E385 HydrophobicContact CZ3-CG 4.14Å; W357-R386 HydrophobicContact CB-CB 4.17Å; W357-R386 HydrophobicContact CB-CG 4.05Å; W357-R386 HydrophobicContact CD2-CB 3.51Å; W357-R386 HydrophobicContact CD2-CG 3.92Å; W357-R386 HydrophobicContact CE3-CB 3.86Å; W357-R386 HydrophobicContact CG-CB 3.66Å; W357-R386 HydrophobicContact CG-CG 3.57Å; W357-R386 HydrophobicContact CZ2-CB 4.45Å; W357-R386 HydrophobicContact CZ3-CB 4.47Å; W357-A389 HydrophobicContact CH2-CB 4.49Å; W357-A389 HydrophobicContact CZ2-CB 3.7Å
358D94.7Very high95.6Very high78 Ų7856 Ų5642%0.41731%0.311SS..  trans-90.485.8176.3-168.9-14.1000111.7H355 G356 D360 A361 V362H355-D358 PolarHBondContact O-N 3.36Å; G356-D358 PolarHBondContact O-N 3.4Å; D358-D360 VanDerWaalsContact C-N 3.27Å; D358-D360 PolarHBondContact O-N 3.07Å; D358-D360 PolarHBondContact OD1-N 2.94Å; D358-D360 VanDerWaalsContact OD1-N 3.11Å; D358-A361 HydrophobicContact CB-CB 3.96Å; D358-A361 PolarHBondContact O-N 2.93Å; D358-A361 PolarHBondContact OD1-N 3.05Å; D358-A361 WeakPolarHBondContact OD2-CB 3.49Å; D358-V362 WeakPolarHBondContact O-CG2 3.41Å; D358-V362 PolarHBondContact O-N 2.97Å
359I95.7Very high95.5Very high4 Ų455.9 Ų55.92%0.02131%0.311CS..Hα-helixtrans-68.5-24.7178.5-167.859.6000113A352 W357 V362 F363 V374 L378A352-I359 HydrophobicContact CB-CD1 4.23Å; W357-I359 PolarHBondContact O-N 2.77Å; I359-V362 HydrophobicContact CD1-CB 4.32Å; I359-V362 HydrophobicContact CD1-CG1 4.44Å; I359-F363 HydrophobicContact CD1-CD2 3.98Å; I359-F363 HydrophobicContact CD1-CE2 3.8Å; I359-F363 HydrophobicContact CG1-CD2 4.06Å; I359-F363 HydrophobicContact CG1-CE2 3.98Å; I359-F363 WeakPolarHBondContact O-CD2 3.43Å; I359-F363 PolarHBondContact O-N 2.8Å; I359-F363 VanDerWaalsContact O-N 3.08Å; I359-V374 HydrophobicContact CG1-CG1 3.96Å; I359-V374 HydrophobicContact CG2-CG1 3.9Å; I359-L378 HydrophobicContact CD1-CD2 4.08Å; I359-L378 HydrophobicContact CG1-CD2 3.96Å; I359-L378 HydrophobicContact CG1-CG 4.17Å
360D96.2Very high95.5Very high58 Ų5857 Ų5731%0.3132%0.319SS..Hα-helixtrans-70.9-42.9176-71.3-60.2000110.7D358 V362 F363 N364 V374 R379D358-D360 VanDerWaalsContact C-N 3.27Å; D358-D360 PolarHBondContact O-N 3.07Å; D358-D360 PolarHBondContact OD1-N 2.94Å; D358-D360 VanDerWaalsContact OD1-N 3.11Å; D360-V362 VanDerWaalsContact C-N 3.32Å; D360-V362 PolarHBondContact O-N 2.92Å; D360-F363 PolarHBondContact O-N 3.32Å; D360-N364 WeakPolarHBondContact O-CB 3.42Å; D360-N364 VanDerWaalsContact O-CG 3.23Å; D360-N364 PolarHBondContact O-N 3.48Å; D360-N364 PolarHBondContact O-ND2 3.28Å; D360-V374 WeakPolarHBondContact OD1-CG2 3.43Å; D360-R379 IonicContact OD1-CZ 3.55Å; D360-R379 IonicContact OD1-NH1 3.86Å; D360-R379 IonicContact OD1-NH2 3.34Å; D360-R379 PolarHBondContact OD1-NH2 3.44Å; D360-R379 IonicContact OD2-CZ 2.73Å; D360-R379 IonicContact OD2-NH1 3.58Å; D360-R379 PolarHBondContact OD2-NH1 3.09Å; D360-R379 IonicContact OD2-NH2 3.56Å; D360-R379 PolarHBondContact OD2-NH2 3.27Å
361A96.1Very high95.6Very high45 Ų4553.7 Ų53.737%0.37230%0.301SS..Hα-helixtrans-59.5-43.5173.700000111.3D358 F363 N364 A365D358-A361 HydrophobicContact CB-CB 3.96Å; D358-A361 PolarHBondContact O-N 2.93Å; D358-A361 PolarHBondContact OD1-N 3.05Å; D358-A361 WeakPolarHBondContact OD2-CB 3.49Å; A361-F363 PolarHBondContact O-N 2.87Å; A361-N364 PolarHBondContact O-N 2.91Å; A361-A365 VanDerWaalsContact O-CB 3.26Å; A361-A365 WeakPolarHBondContact O-CB 3.43Å; A361-A365 PolarHBondContact O-N 3.45Å
362V96.4Very high95.7Very high5 Ų553.8 Ų53.83%0.0330%0.301CS..Hα-helixtrans-58.9-45.5176.2173.90000111.5L318 I351 H355 D358 I359 D360L318-V362 HydrophobicContact CD1-CG1 3.49Å; L318-V362 VanDerWaalsContact CD1-CG1 3.49Å; L318-V362 HydrophobicContact CD2-CG1 3.69Å; L318-V362 HydrophobicContact CG-CG1 4.25Å; I351-V362 HydrophobicContact CG2-CG1 4.05Å; H355-V362 HydrophobicContact CB-CG2 3.53Å; D358-V362 WeakPolarHBondContact O-CG2 3.41Å; D358-V362 PolarHBondContact O-N 2.97Å; I359-V362 HydrophobicContact CD1-CB 4.32Å; I359-V362 HydrophobicContact CD1-CG1 4.44Å; D360-V362 VanDerWaalsContact C-N 3.32Å; D360-V362 PolarHBondContact O-N 2.92Å
363F97.1Very high95.7Very high0 Ų059.3 Ų59.30%032%0.323CS..Hα-helixtrans-68-41.5178.2-89.8-124.1000112.2A314 I359 D360 A361 H366 L369 S370 V374 L378A314-F363 HydrophobicContact CB-CE1 4.11Å; A314-F363 HydrophobicContact CB-CE2 3.94Å; A314-F363 HydrophobicContact CB-CZ 3.46Å; A314-F363 VanDerWaalsContact CB-CZ 3.46Å; I359-F363 HydrophobicContact CD1-CD2 3.98Å; I359-F363 HydrophobicContact CD1-CE2 3.8Å; I359-F363 HydrophobicContact CG1-CD2 4.06Å; I359-F363 HydrophobicContact CG1-CE2 3.98Å; I359-F363 WeakPolarHBondContact O-CD2 3.43Å; I359-F363 PolarHBondContact O-N 2.8Å; I359-F363 VanDerWaalsContact O-N 3.08Å; D360-F363 PolarHBondContact O-N 3.32Å; A361-F363 PolarHBondContact O-N 2.87Å; F363-H366 PolarHBondContact O-N 3.31Å; F363-L369 HydrophobicContact CD1-CB 4.33Å; F363-L369 CarbonylContact O-C 3.25Å; F363-L369 VanDerWaalsContact O-C 3.31Å; F363-S370 VanDerWaalsContact O-CA 3.28Å; F363-S370 WeakPolarHBondContact O-CA 3.5Å; F363-S370 PolarHBondContact O-N 2.88Å; F363-V374 HydrophobicContact CB-CG2 4.01Å; F363-V374 HydrophobicContact CD1-CG2 3.81Å; F363-V374 HydrophobicContact CD2-CG2 4.05Å; F363-V374 HydrophobicContact CE1-CG2 4.26Å; F363-V374 HydrophobicContact CE2-CG2 4.48Å; F363-V374 HydrophobicContact CG-CG2 3.69Å; F363-L378 HydrophobicContact CE2-CD2 3.83Å; F363-L378 HydrophobicContact CZ-CD2 3.87Å
364N96.3Very high95.8Very high86 Ų8657.3 Ų57.346%0.4631%0.309SS..Hα-helixtrans-73-27-177.8-69.3-36000112.8K284 D360 A361 H366K284-N364 PolarHBondContact NZ-OD1 2.97Å; D360-N364 WeakPolarHBondContact O-CB 3.42Å; D360-N364 VanDerWaalsContact O-CG 3.23Å; D360-N364 PolarHBondContact O-N 3.48Å; D360-N364 PolarHBondContact O-ND2 3.28Å; A361-N364 PolarHBondContact O-N 2.91Å; N364-H366 VanDerWaalsContact C-N 3.32Å; N364-H366 PolarHBondContact O-N 2.81Å
365A96.1Very high95.9Very high83 Ų8349.9 Ų49.969%0.68628%0.283SS*.Hα-helixtrans-68.3-29.4176.700000113.1A361A361-A365 VanDerWaalsContact O-CB 3.26Å; A361-A365 WeakPolarHBondContact O-CB 3.43Å; A361-A365 PolarHBondContact O-N 3.45Å
366H95.8Very high96Very high50 Ų5049.3 Ų49.323%0.23129%0.288CS..SBendtrans-93.3121.9-177-168.4-85.5000112.1C317 L318 F363 N364 R368 L369 S370C317-H366 PolarHBondContact O-NE2 2.96Å; L318-H366 HydrophobicContact CD2-CB 4.31Å; F363-H366 PolarHBondContact O-N 3.31Å; N364-H366 VanDerWaalsContact C-N 3.32Å; N364-H366 PolarHBondContact O-N 2.81Å; H366-R368 PolarHBondContact ND1-N 3.05Å; H366-R368 PolarHBondContact O-N 2.72Å; H366-R368 VanDerWaalsContact O-N 3.07Å; H366-L369 HydrophobicContact CB-CB 4.11Å; H366-L369 HydrophobicContact CB-CD1 4.18Å; H366-L369 HydrophobicContact CB-CG 4.26Å; H366-L369 PolarHBondContact O-N 2.92Å; H366-S370 WeakPolarHBondContact O-CB 3.43Å; H366-S370 PolarHBondContact O-N 3.36Å
367P95.1Very high96.2Very high96 Ų9651.4 Ų51.462%0.62328%0.279SS*.THydrogen-bonded Turntrans-58.1-29.5-173.9-2734.4000115.4S370P367-S370 PolarHBondContact O-OG 3.48Å
368R95.4Very high96.3Very high105 Ų10549.2 Ų49.240%0.39627%0.271SS..THydrogen-bonded Turntrans-83.6-22.2177.4-58.8-179.5172.5-153.1-8.9113.6E261 H366E261-R368 IonicContact OE1-CZ 3.65Å; E261-R368 IonicContact OE1-NH1 3.05Å; E261-R368 PolarHBondContact OE1-NH1 3.44Å; E261-R368 IonicContact OE1-NH2 2.8Å; H366-R368 PolarHBondContact ND1-N 3.05Å; H366-R368 PolarHBondContact O-N 2.72Å; H366-R368 VanDerWaalsContact O-N 3.07Å
369L96.5Very high96.5Very high0 Ų049 Ų490%026%0.264CS..THydrogen-bonded Turntrans-100.9-22.7-177.2-63.4178.9000113Y313 A314 C317 L318 F363 H366 I371 W372Y313-L369 HydrophobicContact CD1-CD2 3.69Å; Y313-L369 HydrophobicContact CE1-CD2 3.83Å; A314-L369 HydrophobicContact CB-CD1 3.94Å; A314-L369 HydrophobicContact CB-CD2 4.02Å; C317-L369 HydrophobicContact CB-CD1 3.76Å; C317-L369 HydrophobicContact CB-CD2 3.95Å; C317-L369 HydrophobicContact CB-CG 3.73Å; L318-L369 HydrophobicContact CD1-CD1 4.05Å; L318-L369 HydrophobicContact CD2-CD1 3.97Å; L318-L369 HydrophobicContact CG-CD1 3.68Å; F363-L369 HydrophobicContact CD1-CB 4.33Å; F363-L369 CarbonylContact O-C 3.25Å; F363-L369 VanDerWaalsContact O-C 3.31Å; H366-L369 HydrophobicContact CB-CB 4.11Å; H366-L369 HydrophobicContact CB-CD1 4.18Å; H366-L369 HydrophobicContact CB-CG 4.26Å; H366-L369 PolarHBondContact O-N 2.92Å; L369-I371 PolarHBondContact O-N 2.78Å; L369-W372 PolarHBondContact O-N 3.39Å
370S96.6Very high96.5Very high35 Ų3553.8 Ų53.825%0.24529%0.287CS..THydrogen-bonded Turntrans-61.7-14.2-179.667.10000113.3K284 F363 H366 P367K284-S370 WeakPolarHBondContact CD-O 3.34Å; K284-S370 VanDerWaalsContact CE-O 3.25Å; K284-S370 WeakPolarHBondContact CE-O 3.42Å; K284-S370 PolarHBondContact NZ-O 3.23Å; F363-S370 VanDerWaalsContact O-CA 3.28Å; F363-S370 WeakPolarHBondContact O-CA 3.5Å; F363-S370 PolarHBondContact O-N 2.88Å; H366-S370 WeakPolarHBondContact O-CB 3.43Å; H366-S370 PolarHBondContact O-N 3.36Å; P367-S370 PolarHBondContact O-OG 3.48Å
371I96.8Very high96.5Very high16 Ų1653.1 Ų53.18%0.08228%0.283CS..THydrogen-bonded Turntrans-89.3-10.8174.465.2172.5000113.4R264 L267 K284 V285 L369R264-I371 HydrophobicContact CB-CD1 3.58Å; R264-I371 HydrophobicContact CG-CD1 3.8Å; L267-I371 HydrophobicContact CD2-CB 3.55Å; L267-I371 HydrophobicContact CD2-CD1 4.08Å; L267-I371 HydrophobicContact CD2-CG1 4.39Å; L267-I371 HydrophobicContact CD2-CG2 3.55Å; K284-I371 CarbonylContact C-O 3.53Å; K284-I371 WeakPolarHBondContact CA-O 3.4Å; K284-I371 WeakPolarHBondContact CB-O 3.45Å; V285-I371 HydrophobicContact CG2-CB 4.39Å; V285-I371 HydrophobicContact CG2-CD1 4.09Å; V285-I371 HydrophobicContact CG2-CG1 4.22Å; V285-I371 PolarHBondContact N-O 2.83Å; L369-I371 PolarHBondContact O-N 2.78Å
372W97.6Very high96.6Very high10 Ų1051.1 Ų51.14%0.03827%0.266CS..SBendtrans-99.7150.5-178.1-65.897.6000111.2Y260 C263 K284 V285 F290 M306 V310 Y313 L369Y260-W372 HydrophobicContact CD1-CD2 4.16Å; Y260-W372 AromaticContact CD1-CE2 3.55Å; Y260-W372 HydrophobicContact CD1-CE3 4.46Å; Y260-W372 AromaticContact CD1-CH2 3.69Å; Y260-W372 HydrophobicContact CD1-CH2 3.69Å; Y260-W372 AromaticContact CD1-CZ2 3.32Å; Y260-W372 HydrophobicContact CD1-CZ2 3.32Å; Y260-W372 HydrophobicContact CD1-CZ3 4.25Å; Y260-W372 HydrophobicContact CE1-CD2 4.45Å; Y260-W372 HydrophobicContact CE1-CE3 4.38Å; Y260-W372 AromaticContact CE1-CH2 3.98Å; Y260-W372 HydrophobicContact CE1-CH2 3.98Å; Y260-W372 HydrophobicContact CE1-CZ2 4.05Å; Y260-W372 HydrophobicContact CE1-CZ3 4.15Å; Y260-W372 HydrophobicContact CG-CZ2 4.13Å; C263-W372 HydrophobicContact CB-CH2 3.73Å; C263-W372 HydrophobicContact CB-CZ2 3.64Å; K284-W372 PolarHBondContact NZ-O 3.34Å; V285-W372 HydrophobicContact CB-CE3 4.27Å; V285-W372 HydrophobicContact CB-CH2 4.41Å; V285-W372 HydrophobicContact CB-CZ3 4.15Å; V285-W372 HydrophobicContact CG1-CH2 4.14Å; V285-W372 HydrophobicContact CG1-CZ3 4.05Å; V285-W372 HydrophobicContact CG2-CD2 4.19Å; V285-W372 HydrophobicContact CG2-CE3 4.25Å; V285-W372 HydrophobicContact CG2-CH2 4.11Å; V285-W372 HydrophobicContact CG2-CZ2 4.01Å; V285-W372 HydrophobicContact CG2-CZ3 4.22Å; F290-W372 HydrophobicContact CZ-CZ3 4.43Å; M306-W372 HydrophobicContact CB-CH2 4.13Å; M306-W372 HydrophobicContact CB-CZ3 4.05Å; M306-W372 HydrophobicContact CE-CH2 3.96Å; M306-W372 HydrophobicContact CE-CZ2 4.44Å; V310-W372 HydrophobicContact CG2-CB 3.78Å; V310-W372 HydrophobicContact CG2-CD2 3.98Å; V310-W372 HydrophobicContact CG2-CE3 3.97Å; V310-W372 HydrophobicContact CG2-CG 3.89Å; Y313-W372 AromaticContact CE1-NE1 3.89Å; L369-W372 PolarHBondContact O-N 3.39Å
373Y96.7Very high96.5Very high117 Ų11754.7 Ų54.746%0.45928%0.283SS..PPolyproline II helixtrans-81.9139169.3-68.1-79000109.6K284 P375K284-Y373 HydrophobicContact CB-CD2 4.35Å; K284-Y373 HydrophobicContact CB-CE1 4.33Å; K284-Y373 HydrophobicContact CB-CE2 3.68Å; K284-Y373 HydrophobicContact CG-CE1 4.06Å; K284-Y373 HydrophobicContact CG-CE2 4.3Å; Y373-P375 WeakPolarHBondContact O-CD 3.42Å
374V96.8Very high96.4Very high18 Ų1859.2 Ų59.211%0.10931%0.306CS..PPolyproline II helixtrans-65127.8173.6-1780000109.4I359 D360 F363 T376 L378 R379I359-V374 HydrophobicContact CG1-CG1 3.96Å; I359-V374 HydrophobicContact CG2-CG1 3.9Å; D360-V374 WeakPolarHBondContact OD1-CG2 3.43Å; F363-V374 HydrophobicContact CB-CG2 4.01Å; F363-V374 HydrophobicContact CD1-CG2 3.81Å; F363-V374 HydrophobicContact CD2-CG2 4.05Å; F363-V374 HydrophobicContact CE1-CG2 4.26Å; F363-V374 HydrophobicContact CE2-CG2 4.48Å; F363-V374 HydrophobicContact CG-CG2 3.69Å; V374-T376 PolarHBondContact O-N 2.86Å; V374-L378 HydrophobicContact CG1-CD2 4.31Å; V374-R379 HydrophobicContact CG1-CB 4.46Å
375P96.9Very high96.4Very high19 Ų1959.3 Ų59.312%0.12330%0.304CS..PPolyproline II helixtrans-58.8135.7175.7-30.239.6000112.9V310 H311 Y373 K377 L378 R379V310-P375 HydrophobicContact CG1-CB 4.42Å; V310-P375 HydrophobicContact CG1-CG 3.13Å; H311-P375 HydrophobicContact CB-CG 4.31Å; Y373-P375 WeakPolarHBondContact O-CD 3.42Å; P375-K377 PolarHBondContact O-N 3.38Å; P375-L378 HydrophobicContact CB-CB 4.08Å; P375-L378 WeakPolarHBondContact O-CB 3.45Å; P375-L378 PolarHBondContact O-N 3.12Å; P375-R379 PolarHBondContact O-N 3.37Å
376T96.8Very high96.3Very high104 Ų10460.1 Ų60.164%0.63829%0.289SS*.Hα-helixtrans-52.3-43.9176-46.30000111.8V374 L378 R379 Q380V374-T376 PolarHBondContact O-N 2.86Å; T376-L378 PolarHBondContact O-N 3.16Å; T376-R379 PolarHBondContact O-N 3.21Å; T376-Q380 WeakPolarHBondContact O-CG 3.43Å; T376-Q380 PolarHBondContact O-N 3.32Å
377K96.3Very high96.3Very high104 Ų10462.1 Ų62.145%0.45230%0.301SS..Hα-helixtrans-63.7-38179.1-172.459.7176.5178.70113.1Y345 P375 L381Y345-K377 HydrophobicContact CE1-CB 4.42Å; Y345-K377 HydrophobicContact CE1-CG 4.34Å; Y345-K377 HydrophobicContact CE2-CG 4.46Å; P375-K377 PolarHBondContact O-N 3.38Å; K377-L381 HydrophobicContact CG-CD1 4.37Å; K377-L381 VanDerWaalsContact O-CG 3.31Å; K377-L381 WeakPolarHBondContact O-CG 3.34Å; K377-L381 PolarHBondContact O-N 2.93Å; K377-L381 VanDerWaalsContact O-N 3.09Å
378L97.2Very high96.3Very high0 Ų061.4 Ų61.40%029%0.292CS..Hα-helixtrans-66.9-44.8177.5177.960.1000110.4H311 Y345 L348 V349 I359 F363 V374 P375 T376 Q380 L381 C382H311-L378 HydrophobicContact CB-CD2 4.4Å; Y345-L378 HydrophobicContact CD1-CB 4.22Å; Y345-L378 HydrophobicContact CD1-CD1 4.01Å; Y345-L378 HydrophobicContact CE1-CB 4.05Å; L348-L378 HydrophobicContact CB-CD1 3.8Å; L348-L378 HydrophobicContact CD1-CD1 4.17Å; L348-L378 HydrophobicContact CD1-CD2 4.09Å; V349-L378 HydrophobicContact CG2-CD1 4.4Å; I359-L378 HydrophobicContact CD1-CD2 4.08Å; I359-L378 HydrophobicContact CG1-CD2 3.96Å; I359-L378 HydrophobicContact CG1-CG 4.17Å; F363-L378 HydrophobicContact CE2-CD2 3.83Å; F363-L378 HydrophobicContact CZ-CD2 3.87Å; V374-L378 HydrophobicContact CG1-CD2 4.31Å; P375-L378 HydrophobicContact CB-CB 4.08Å; P375-L378 WeakPolarHBondContact O-CB 3.45Å; P375-L378 PolarHBondContact O-N 3.12Å; T376-L378 PolarHBondContact O-N 3.16Å; L378-Q380 PolarHBondContact O-N 3.34Å; L378-L381 PolarHBondContact O-N 2.79Å; L378-C382 PolarHBondContact O-N 2.83Å; L378-C382 PolarHBondContact O-SG 3.06Å; L378-C382 VanDerWaalsContact O-SG 3.34Å
379R96.8Very high96.2Very high73 Ų7358.3 Ų58.328%0.27529%0.29SS..Hα-helixtrans-58.2-46.6175.9-174.9-178.5-56.3-70.13.9112D360 V374 P375 T376 L381 C382 H383D360-R379 IonicContact OD1-CZ 3.55Å; D360-R379 IonicContact OD1-NH1 3.86Å; D360-R379 IonicContact OD1-NH2 3.34Å; D360-R379 PolarHBondContact OD1-NH2 3.44Å; D360-R379 IonicContact OD2-CZ 2.73Å; D360-R379 IonicContact OD2-NH1 3.58Å; D360-R379 PolarHBondContact OD2-NH1 3.09Å; D360-R379 IonicContact OD2-NH2 3.56Å; D360-R379 PolarHBondContact OD2-NH2 3.27Å; V374-R379 HydrophobicContact CG1-CB 4.46Å; P375-R379 PolarHBondContact O-N 3.37Å; T376-R379 PolarHBondContact O-N 3.21Å; R379-L381 PolarHBondContact O-N 3.28Å; R379-C382 PolarHBondContact O-N 2.84Å; R379-H383 PolarHBondContact O-CD2 3.28Å; R379-H383 PolarHBondContact O-N 2.88Å
380Q97Very high95.9Very high106 Ų10662.8 Ų62.850%0.49532%0.316SS..Hα-helixtrans-58.6-44.8176.5-73.8170.4-13.100112.3T376 L378 H383 L384T376-Q380 WeakPolarHBondContact O-CG 3.43Å; T376-Q380 PolarHBondContact O-N 3.32Å; L378-Q380 PolarHBondContact O-N 3.34Å; Q380-H383 PolarHBondContact O-N 3.36Å; Q380-L384 WeakPolarHBondContact O-CB 3.37Å; Q380-L384 PolarHBondContact O-N 3.18Å
381L96.9Very high95.8Very high44 Ų4464 Ų6423%0.2333%0.329CS..Hα-helixtrans-64.8-42178.1-70.7171.4000111.9Y345 V349 K377 L378 R379 H383 L384 E385Y345-L381 HydrophobicContact CD1-CD1 3.86Å; Y345-L381 HydrophobicContact CD2-CD1 4.3Å; Y345-L381 HydrophobicContact CG-CD1 3.72Å; V349-L381 HydrophobicContact CG2-CB 3.93Å; K377-L381 HydrophobicContact CG-CD1 4.37Å; K377-L381 VanDerWaalsContact O-CG 3.31Å; K377-L381 WeakPolarHBondContact O-CG 3.34Å; K377-L381 PolarHBondContact O-N 2.93Å; K377-L381 VanDerWaalsContact O-N 3.09Å; L378-L381 PolarHBondContact O-N 2.79Å; R379-L381 PolarHBondContact O-N 3.28Å; L381-H383 PolarHBondContact O-N 3.01Å; L381-L384 PolarHBondContact O-N 3.31Å; L381-E385 WeakPolarHBondContact O-CB 3.16Å; L381-E385 PolarHBondContact O-N 3Å
382C96.4Very high95.6Very high3 Ų366 Ų662%0.0235%0.347CS..Hα-helixtrans-62.5-40.5175.1-66.10000112.3A352 L378 R379 R386A352-C382 HydrophobicContact CB-CB 4.46Å; A352-C382 VanDerWaalsContact CB-SG 3.6Å; L378-C382 PolarHBondContact O-N 2.83Å; L378-C382 PolarHBondContact O-SG 3.06Å; L378-C382 VanDerWaalsContact O-SG 3.34Å; R379-C382 PolarHBondContact O-N 2.84Å; C382-R386 VanDerWaalsContact O-CB 3.25Å; C382-R386 WeakPolarHBondContact O-CB 3.48Å; C382-R386 PolarHBondContact O-N 3.35Å
383H95.8Very high95.2Very high80 Ų8068 Ų6837%0.3737%0.367SS..Hα-helixtrans-67-42.5176.2-74.5-57.8000112.7R379 Q380 L381 R386 N387R379-H383 PolarHBondContact O-CD2 3.28Å; R379-H383 PolarHBondContact O-N 2.88Å; Q380-H383 PolarHBondContact O-N 3.36Å; L381-H383 PolarHBondContact O-N 3.01Å; H383-R386 PolarHBondContact O-N 3.09Å; H383-N387 PolarHBondContact O-N 3.02Å; H383-N387 PolarHBondContact O-OD1 3.23Å
384L95.3Very high94.9Very high94 Ų9465.3 Ų65.349%0.49237%0.368SS..Hα-helixtrans-61-48.4177.3-177.265.6000110.8Q380 L381 R386 N387 N388Q380-L384 WeakPolarHBondContact O-CB 3.37Å; Q380-L384 PolarHBondContact O-N 3.18Å; L381-L384 PolarHBondContact O-N 3.31Å; L384-R386 PolarHBondContact O-N 3.39Å; L384-N387 PolarHBondContact O-N 3.4Å; L384-N388 VanDerWaalsContact O-CG 3.28Å; L384-N388 PolarHBondContact O-N 3.45Å
385E95.2Very high94.4Very high88 Ų8867.7 Ų67.741%0.41139%0.39SS..Hα-helixtrans-70.2-33.4-177.8-151.767.2-161.800112.1V349 W357 L381 N388 A389V349-E385 HydrophobicContact CG1-CB 3.7Å; V349-E385 HydrophobicContact CG1-CG 3.8Å; W357-E385 HydrophobicContact CH2-CB 3.72Å; W357-E385 HydrophobicContact CH2-CG 3.77Å; W357-E385 HydrophobicContact CZ3-CB 3.66Å; W357-E385 HydrophobicContact CZ3-CG 4.14Å; L381-E385 WeakPolarHBondContact O-CB 3.16Å; L381-E385 PolarHBondContact O-N 3Å; E385-N388 PolarHBondContact O-N 3.4Å; E385-A389 VanDerWaalsContact O-CB 3.29Å; E385-A389 WeakPolarHBondContact O-CB 3.48Å; E385-A389 PolarHBondContact O-N 2.63Å
386R95.2Very high93.8Very high100 Ų10072.9 Ų72.938%0.37742%0.416SS..Hα-helixtrans-58.9-48.5169.2-178-176.572.4168.23.7111.4W357 C382 H383 L384 N388 A389 V390W357-R386 HydrophobicContact CB-CB 4.17Å; W357-R386 HydrophobicContact CB-CG 4.05Å; W357-R386 HydrophobicContact CD2-CB 3.51Å; W357-R386 HydrophobicContact CD2-CG 3.92Å; W357-R386 HydrophobicContact CE3-CB 3.86Å; W357-R386 HydrophobicContact CG-CB 3.66Å; W357-R386 HydrophobicContact CG-CG 3.57Å; W357-R386 HydrophobicContact CZ2-CB 4.45Å; W357-R386 HydrophobicContact CZ3-CB 4.47Å; C382-R386 VanDerWaalsContact O-CB 3.25Å; C382-R386 WeakPolarHBondContact O-CB 3.48Å; C382-R386 PolarHBondContact O-N 3.35Å; H383-R386 PolarHBondContact O-N 3.09Å; L384-R386 PolarHBondContact O-N 3.39Å; R386-N388 VanDerWaalsContact C-N 3.32Å; R386-N388 PolarHBondContact O-N 3.02Å; R386-A389 PolarHBondContact O-N 2.84Å; R386-V390 HydrophobicContact CG-CG2 4.46Å; R386-V390 VanDerWaalsContact O-CG2 3.31Å; R386-V390 WeakPolarHBondContact O-CG2 3.26Å; R386-V390 PolarHBondContact O-N 3.27Å
387N95Very high92.8Very high92 Ų9273.2 Ų73.249%0.49242%0.418SS..Hα-helixtrans-63.7-41.1-179.5-68.2-3.3000110.7H383 L384 V390 A391H383-N387 PolarHBondContact O-N 3.02Å; H383-N387 PolarHBondContact O-OD1 3.23Å; L384-N387 PolarHBondContact O-N 3.4Å; N387-V390 PolarHBondContact O-N 3.16Å; N387-A391 VanDerWaalsContact O-CB 3.29Å; N387-A391 WeakPolarHBondContact O-CB 3.36Å; N387-A391 PolarHBondContact O-N 3.45Å
388N94.8Very high91.1Very high81 Ų8170.9 Ų70.943%0.43342%0.423SS..Hα-helixtrans-62.1-43.8173.9-68-16.3000112L384 E385 R386 A391 A392L384-N388 VanDerWaalsContact O-CG 3.28Å; L384-N388 PolarHBondContact O-N 3.45Å; E385-N388 PolarHBondContact O-N 3.4Å; R386-N388 VanDerWaalsContact C-N 3.32Å; R386-N388 PolarHBondContact O-N 3.02Å; N388-A391 PolarHBondContact O-N 2.87Å; N388-A392 VanDerWaalsContact O-CB 3.28Å; N388-A392 WeakPolarHBondContact O-CB 3.28Å; N388-A392 PolarHBondContact O-N 3.01Å
389A92.3Very high89.2Confident41 Ų4173.4 Ų73.434%0.33945%0.449SS..Hα-helixtrans-65.1-42.6178.800000112.2W357 E385 R386 A393W357-A389 HydrophobicContact CH2-CB 4.49Å; W357-A389 HydrophobicContact CZ2-CB 3.7Å; E385-A389 VanDerWaalsContact O-CB 3.29Å; E385-A389 WeakPolarHBondContact O-CB 3.48Å; E385-A389 PolarHBondContact O-N 2.63Å; R386-A389 PolarHBondContact O-N 2.84Å; A389-A393 VanDerWaalsContact O-CB 3.23Å; A389-A393 WeakPolarHBondContact O-CB 3.33Å; A389-A393 PolarHBondContact O-N 3.49Å
390V92.2Very high87.3Confident93 Ų9376.5 Ų76.556%0.56447%0.469SS*.Hα-helixtrans-65.5-43.6175.6173.30000110.9R386 N387 A393 A394R386-V390 HydrophobicContact CG-CG2 4.46Å; R386-V390 VanDerWaalsContact O-CG2 3.31Å; R386-V390 WeakPolarHBondContact O-CG2 3.26Å; R386-V390 PolarHBondContact O-N 3.27Å; N387-V390 PolarHBondContact O-N 3.16Å; V390-A393 PolarHBondContact O-N 3.42Å; V390-A394 VanDerWaalsContact O-CB 3.27Å; V390-A394 WeakPolarHBondContact O-CB 3.45Å; V390-A394 PolarHBondContact O-N 2.9Å
391A92.8Very high85.2Confident61 Ų6176.8 Ų76.850%0.50448%0.483SS..Hα-helixtrans-63.2-45.417700000112.2N387 N388 A394 A395N387-A391 VanDerWaalsContact O-CB 3.29Å; N387-A391 WeakPolarHBondContact O-CB 3.36Å; N387-A391 PolarHBondContact O-N 3.45Å; N388-A391 PolarHBondContact O-N 2.87Å; A391-A394 PolarHBondContact O-N 3.48Å; A391-A395 WeakPolarHBondContact O-CB 3.32Å; A391-A395 PolarHBondContact O-N 2.89Å
392A92.6Very high82.9Confident57 Ų5779.8 Ų79.847%0.47151%0.507SS..Hα-helixtrans-65-42.2177.600000112.2N388 A395 L396N388-A392 VanDerWaalsContact O-CB 3.28Å; N388-A392 WeakPolarHBondContact O-CB 3.28Å; N388-A392 PolarHBondContact O-N 3.01Å; A392-A395 PolarHBondContact O-N 3.09Å; A392-L396 WeakPolarHBondContact O-CG 3.29Å; A392-L396 PolarHBondContact O-N 3.46Å
393A89.9Confident80.7Confident54 Ų5486.3 Ų86.345%0.44655%0.547SS..Hα-helixtrans-65.3-40.8176.100000112A389 V390 L396 V397A389-A393 VanDerWaalsContact O-CB 3.23Å; A389-A393 WeakPolarHBondContact O-CB 3.33Å; A389-A393 PolarHBondContact O-N 3.49Å; V390-A393 PolarHBondContact O-N 3.42Å; A393-L396 PolarHBondContact O-N 3.5Å; A393-V397 WeakPolarHBondContact O-CG2 3.38Å; A393-V397 PolarHBondContact O-N 3.37Å; A393-V397 VanDerWaalsContact O-N 3.15Å
394A89.8Confident78.4Confident59 Ų5985.7 Ų85.749%0.48856%0.562SS.*Hα-helixtrans-64.8-39.3176.200000112.3V390 A391 L396 V397 G398V390-A394 VanDerWaalsContact O-CB 3.27Å; V390-A394 WeakPolarHBondContact O-CB 3.45Å; V390-A394 PolarHBondContact O-N 2.9Å; A391-A394 PolarHBondContact O-N 3.48Å; A394-L396 VanDerWaalsContact C-N 3.32Å; A394-L396 PolarHBondContact O-N 3.37Å; A394-V397 PolarHBondContact O-N 3.14Å; A394-G398 PolarHBondContact O-N 3.36Å
395A87.8Confident76.3Confident69 Ų6986.6 Ų86.657%0.5758%0.576SS**Hα-helixtrans-62.8-37.7175.700000112.4A391 A392 G399A391-A395 WeakPolarHBondContact O-CB 3.32Å; A391-A395 PolarHBondContact O-N 2.89Å; A392-A395 PolarHBondContact O-N 3.09Å; A395-G399 PolarHBondContact O-N 3.5Å
396L82.8Confident74Confident128 Ų12888.5 Ų88.567%0.6760%0.599SS**Hα-helixtrans-68.1-38.7176.2-72.8169.5000112.6A392 A393 A394 I400A392-L396 WeakPolarHBondContact O-CG 3.29Å; A392-L396 PolarHBondContact O-N 3.46Å; A393-L396 PolarHBondContact O-N 3.5Å; A394-L396 VanDerWaalsContact C-N 3.32Å; A394-L396 PolarHBondContact O-N 3.37Å; L396-I400 WeakPolarHBondContact O-CD1 3.25Å; L396-I400 WeakPolarHBondContact O-CG1 3.49Å
397V76.8Confident71.8Confident111 Ų11189.8 Ų89.867%0.67362%0.619SS**Hα-helixtrans-71.8-39.2176.9177.30000111.3A393 A394 G399 I400A393-V397 WeakPolarHBondContact O-CG2 3.38Å; A393-V397 PolarHBondContact O-N 3.37Å; A393-V397 VanDerWaalsContact O-N 3.15Å; A394-V397 PolarHBondContact O-N 3.14Å; V397-G399 VanDerWaalsContact C-N 3.32Å; V397-G399 PolarHBondContact O-N 3.33Å; V397-I400 PolarHBondContact O-N 3.07Å
398G61.5Low69.7Low55 Ų5591.7 Ų91.757%0.56764%0.639SS**Hα-helixtrans-67.9-28.2176.800000114A394 I400A394-G398 PolarHBondContact O-N 3.36Å; G398-I400 VanDerWaalsContact C-N 3.3Å; G398-I400 PolarHBondContact O-N 3.05Å
399G56.6Low67.4Low52 Ų5291.6 Ų91.654%0.53666%0.657SS.*THydrogen-bonded Turntrans-73-15.4177.900000115.1A395 V397A395-G399 PolarHBondContact O-N 3.5Å; V397-G399 VanDerWaalsContact C-N 3.32Å; V397-G399 PolarHBondContact O-N 3.33Å
400I56.9Low65.3Low138 Ų138102 Ų10271%0.70869%0.688SS**THydrogen-bonded Turntrans-89.9-7.1-175.6-63164.9000112.1L396 V397 G398L396-I400 WeakPolarHBondContact O-CD1 3.25Å; L396-I400 WeakPolarHBondContact O-CG1 3.49Å; V397-I400 PolarHBondContact O-N 3.07Å; G398-I400 VanDerWaalsContact C-N 3.3Å; G398-I400 PolarHBondContact O-N 3.05Å
401S52.8Low63.2Low113 Ų113101.3 Ų101.379%0.7970%0.699SS**SBendtrans-96.218.4-173.7-151.70000116
402C48.1Very low61.1Low107 Ų107102.2 Ų102.272%0.72371%0.714SS**SBendtrans-125.842178.162.50000114.7
403T51Low59Low139 Ų139106 Ų10685%0.85374%0.736SS**  trans-144.282.4161.554.40000109.2
404G46.9Very low57Low67 Ų67107.4 Ų107.469%0.69176%0.755SS**  trans-151.491.6-176.300000112.7
405S51.1Low55Low113 Ų113107.5 Ų107.579%0.7976%0.762SS**  trans63.790.8138.3-48.20000119
406S47.4Very low53.2Low129 Ų129111.5 Ų111.590%0.90277%0.773SS**  trans-104.682.2149.6-65.30000109.1
407T48.3Very low51.7Low127 Ų127112 Ų11278%0.77978%0.777SS**  trans-143.388.7168.957.20000110
408S51.6Low50.5Low131 Ų131113.7 Ų113.792%0.91678%0.781SS**  trans-164.9111.3158.349.30000110.2
409G47Very low50.2Low79 Ų79122.1 Ų122.181%0.81480%0.796SS**  trans178.766177.500000111.9G411G409-G411 PolarHBondContact O-N 3.28Å
410R48Very low49.9Very low261 Ų261133.3 Ų133.399%0.98583%0.83SS**  trans-59.8125.8166.3-74.5170.694.4-145.211.6108.5
411G48.6Very low49.5Very low77 Ų77133.1 Ų133.179%0.79484%0.837SS**  trans169.1121.516400000112.9G409G409-G411 PolarHBondContact O-N 3.28Å
412G48Very low49.4Very low80 Ų80134.2 Ų134.283%0.82584%0.839SS**  trans102.599.5150.700000115.7
413C49Very low49.4Very low138 Ų138135.7 Ų135.793%0.93285%0.846SS**  trans-73.1153.9169-2.90000111.2
414G46.6Very low49.4Very low83 Ų83135.5 Ų135.586%0.85685%0.845SS**  trans103.1129.8170.400000111.5
415G48.1Very low49.5Very low60 Ų60139.8 Ų139.862%0.61986%0.855SS**  cis175.7152.85.400000105.4
416D51.2Low49.4Very low153 Ų153141.5 Ų141.582%0.81886%0.859SS**  trans57.7107.6149.1-49.2-39.6000118.3
417D51Low49.6Very low139 Ų139142.4 Ų142.474%0.74386%0.856SS**  131.9139.796-118.7-32.2000117
418L50.2Low49.7Very low146 Ų146143.6 Ų143.676%0.76486%0.862SS**  trans60.8101.7152.8-105.773.6000122.1
419R55.1Low49.5Very low233 Ų233144.7 Ų144.788%0.87986%0.857SS**  14.7125.8126.3-75.7-178170.2179-2.7118.9
420F51Low49.7Very low287 Ų287150.6 Ų150.6100%1.25986%0.861SS**  -139.70110.6-113.7-83.5000109.9

Retrieved 420 of 420 residues in 291.5 ms (Link to these results)