A0A060D570_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060D570, Species MAIZE (Zea mays, Maize), Gene GRAS5, Length 492 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.2Very low30Very low242 Ų242115.7 Ų115.7100%1.19268%0.676SS**  092.40-77.5171.8-177.700106.7T3M1-T3 PolarHBondContact O-N 3.48Å
2G31.6Very low30.2Very low74 Ų74112.8 Ų112.876%0.76366%0.655SS**  trans-71120.8170.700000107.5M4G2-M4 PolarHBondContact O-N 2.99Å; G2-M4 VanDerWaalsContact O-N 3.1Å
3T26.4Very low30.2Very low136 Ų136110.2 Ų110.283%0.83464%0.643SS**  trans-58.4110.1170.242.10000107.8M1 S5M1-T3 PolarHBondContact O-N 3.48Å; T3-S5 PolarHBondContact O-N 2.91Å
4M25.5Very low30.1Very low151 Ų151105.9 Ų105.974%0.74461%0.613SS**  trans-66.9112.6174-70.8-172.4-176.900108.3G2 Y6G2-M4 PolarHBondContact O-N 2.99Å; G2-M4 VanDerWaalsContact O-N 3.1Å; M4-Y6 HydrophobicContact CB-CE2 3.98Å; M4-Y6 WeakPolarHBondContact O-CD2 3.4Å
5S24.2Very low29.9Very low119 Ų119106.7 Ų106.783%0.83262%0.623SS**PPolyproline II helixtrans-78.3120.6167-10.60000108.1T3T3-S5 PolarHBondContact O-N 2.91Å
6Y27.3Very low30Very low188 Ų188102.4 Ų102.474%0.73760%0.599SS**PPolyproline II helixtrans-98.6127.9177-68.1-89.9000109.4M4M4-Y6 HydrophobicContact CB-CE2 3.98Å; M4-Y6 WeakPolarHBondContact O-CD2 3.4Å
7P30.9Very low30Very low107 Ų107107.5 Ų107.570%0.69562%0.616SS**PPolyproline II helixtrans-85.8132.7172.426.3-21.9000111.8
8C33.6Very low30Very low91 Ų91110 Ų11062%0.61562%0.621SS**PPolyproline II helixtrans-99.1160.5-178.9-77.30000113.1Q53C8-Q53 PolarHBondContact O-OE1 3.4Å
9S33.2Very low30Very low49 Ų49114.4 Ų114.434%0.34364%0.635SS.*PPolyproline II helixtrans-50.5153.5-170.1-81.20000118.9S28 Q30S9-S28 PolarHBondContact OG-O 3.23Å; S9-Q30 PolarHBondContact OG-N 3.14Å; S9-Q30 VanDerWaalsContact OG-N 3.15Å
10P32.5Very low30.2Very low62 Ų62116.9 Ų116.940%0.40365%0.647SS.*PPolyproline II helixtrans-91.6136.6158.633.4-29.2000113.3S28P10-S28 PolarHBondContact O-OG 3.29Å
11L33.2Very low30.2Very low54 Ų54117.5 Ų117.528%0.28365%0.647SS.*PPolyproline II helixtrans-88135.3160.1-63.1-175.9000108.7P13 L25 W27 L60L11-P13 WeakPolarHBondContact O-CD 3.27Å; L11-L25 HydrophobicContact CB-CB 4.39Å; L11-L25 HydrophobicContact CB-CD2 4.02Å; L11-L25 HydrophobicContact CD1-CB 4.46Å; L11-L25 HydrophobicContact CD1-CD1 4.11Å; L11-W27 HydrophobicContact CD2-CB 4.24Å; L11-W27 HydrophobicContact CD2-CG 4.11Å; L11-L60 HydrophobicContact CD1-CD2 3.74Å
12I31.7Very low30.3Very low81 Ų81108.2 Ų108.242%0.41561%0.613SS.*EExtended strand (participates in β ladder)trans-98.2116.4177.2-58.1175.1000108.9F14 L26I12-F14 HydrophobicContact CG2-CD2 4.32Å; I12-F14 HydrophobicContact CG2-CE2 4.22Å; I12-L26 PolarHBondContact O-N 3.36Å
13P30.4Very low30.4Very low78 Ų78106.7 Ų106.751%0.50659%0.591SS.*EExtended strand (participates in β ladder)trans-76.2126.8169.41.112.2000110.3L11 L25L11-P13 WeakPolarHBondContact O-CD 3.27Å; P13-L25 VanDerWaalsContact CA-CD2 3.47Å; P13-L25 HydrophobicContact CB-CD2 3.55Å; P13-L25 HydrophobicContact CG-CD2 3.58Å
14F28.9Very low31.1Very low51 Ų51102.9 Ų102.922%0.22456%0.562CS.*EExtended strand (participates in β ladder)trans-92.4122.1167.9-98.3-96.3000110.8I12 T16 Y24 E287 F288I12-F14 HydrophobicContact CG2-CD2 4.32Å; I12-F14 HydrophobicContact CG2-CE2 4.22Å; F14-T16 PolarHBondContact O-N 3.1Å; F14-Y24 PolarHBondContact N-O 3.02Å; F14-Y24 VanDerWaalsContact N-O 3.11Å; F14-E287 HydrophobicContact CE1-CB 4.44Å; F14-F288 AromaticContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CE2 4.47Å; F14-F288 HydrophobicContact CZ-CD2 4.23Å
15P26.8Very low32Very low118 Ų11897.2 Ų97.277%0.76653%0.534SS*.  trans-77.6111.3169.95.59.4000109.4
16T31.3Very low32.7Very low37 Ų3792.7 Ų92.723%0.22750%0.5CS..  trans-79.9126.7167.847.50000109.7F14 H18F14-T16 PolarHBondContact O-N 3.1Å; T16-H18 PolarHBondContact O-N 3.37Å
17Q29.9Very low33.1Very low190 Ų19084.3 Ų84.389%0.88847%0.467SS*.SBendtrans-69.674163.5-69.8-172-9.200109.5
18H30.1Very low33.3Very low152 Ų15280.3 Ų80.370%0.70444%0.442SS*.SBendtrans-165.6108.6157.9-110.8-78.1000106T16 D20T16-H18 PolarHBondContact O-N 3.37Å; H18-D20 VanDerWaalsContact C-N 3.3Å; H18-D20 PolarHBondContact O-N 3.11Å
19E30.9Very low33.1Very low193 Ų19377.3 Ų77.390%0.90242%0.422SS*.THydrogen-bonded Turntrans-59.694.5168.2-65.6-175.6146.400107.6
20D34.1Very low33.2Very low164 Ų16480.8 Ų80.888%0.87743%0.432SS*.THydrogen-bonded Turntrans162.56.8154.7-90.3-17.5000114.8H18H18-D20 VanDerWaalsContact C-N 3.3Å; H18-D20 PolarHBondContact O-N 3.11Å
21M30.3Very low33Very low131 Ų13180.2 Ų80.265%0.64543%0.433SS*.SBendtrans-126.7122.4166.6-74-121.4-133.300110.5Y24M21-Y24 HydrophobicContact CB-CE2 4.26Å; M21-Y24 PolarHBondContact SD-OH 3.11Å
22G33.4Very low32.6Very low46 Ų4683.3 Ų83.347%0.47445%0.454SS..PPolyproline II helixtrans-54.9150.5-174.900000113.4Y24G22-Y24 WeakPolarHBondContact O-CD2 3.05Å; G22-Y24 WeakPolarHBondContact O-CE2 3.33Å; G22-Y24 PolarHBondContact O-N 3.07Å
23S34.9Very low32.3Very low42 Ų4284.8 Ų84.829%0.29446%0.462SS..PPolyproline II helixtrans-46.7120.1175.846.30000111.5R200S23-R200 PolarHBondContact O-NH2 2.88Å
24Y40.7Very low31.9Very low57 Ų5786.4 Ų86.422%0.22447%0.472CS..EExtended strand (participates in β ladder)trans-86.7122.1174.6-65.1-82.8000108.8F14 M21 G22F14-Y24 PolarHBondContact N-O 3.02Å; F14-Y24 VanDerWaalsContact N-O 3.11Å; M21-Y24 HydrophobicContact CB-CE2 4.26Å; M21-Y24 PolarHBondContact SD-OH 3.11Å; G22-Y24 WeakPolarHBondContact O-CD2 3.05Å; G22-Y24 WeakPolarHBondContact O-CE2 3.33Å; G22-Y24 PolarHBondContact O-N 3.07Å
25L43.8Very low31.7Very low31 Ų3191.9 Ų91.916%0.16250%0.503CS..EExtended strand (participates in β ladder)trans-94127.8173.9-67.9166.9000108.4L11 P13 L60L11-L25 HydrophobicContact CB-CB 4.39Å; L11-L25 HydrophobicContact CB-CD2 4.02Å; L11-L25 HydrophobicContact CD1-CB 4.46Å; L11-L25 HydrophobicContact CD1-CD1 4.11Å; P13-L25 VanDerWaalsContact CA-CD2 3.47Å; P13-L25 HydrophobicContact CB-CD2 3.55Å; P13-L25 HydrophobicContact CG-CD2 3.58Å; L25-L60 HydrophobicContact CD1-CB 4.3Å; L25-L60 HydrophobicContact CD1-CD1 3.39Å; L25-L60 HydrophobicContact CD1-CD2 3.56Å; L25-L60 HydrophobicContact CD1-CG 3.91Å
26L39.7Very low31.6Very low24 Ų2495 Ų9513%0.12651%0.507CS..EExtended strand (participates in β ladder)trans-104.5131.8170.7-68.3170.7000109I12 A244 F288I12-L26 PolarHBondContact O-N 3.36Å; L26-A244 HydrophobicContact CB-CB 4.07Å; L26-A244 HydrophobicContact CD1-CB 3.83Å; L26-A244 HydrophobicContact CD2-CB 3.71Å; L26-A244 HydrophobicContact CG-CB 4.07Å; L26-F288 HydrophobicContact CD1-CB 4.18Å; L26-F288 HydrophobicContact CD1-CD1 4.43Å; L26-F288 HydrophobicContact CD1-CD2 3.96Å; L26-F288 HydrophobicContact CD1-CE2 4.48Å; L26-F288 HydrophobicContact CD1-CG 3.92Å
27W35.8Very low31.3Very low12 Ų12101 Ų1015%0.04554%0.538CS..  trans-65.2137.2179.1-62.2-13.8000112.1L11 Q203 E204 A209 K210 F214L11-W27 HydrophobicContact CD2-CB 4.24Å; L11-W27 HydrophobicContact CD2-CG 4.11Å; W27-Q203 HydrophobicContact CH2-CB 3.85Å; W27-Q203 WeakPolarHBondContact CH2-O 3.37Å; W27-Q203 VanDerWaalsContact CZ2-C 3.45Å; W27-Q203 HydrophobicContact CZ2-CB 3.86Å; W27-Q203 WeakPolarHBondContact CZ2-O 3.44Å; W27-E204 PolarHBondContact NE1-OE1 3.43Å; W27-E204 PolarHBondContact NE1-OE2 2.86Å; W27-A209 HydrophobicContact CH2-CB 4.12Å; W27-A209 HydrophobicContact CZ3-CB 4.45Å; W27-K210 HydrophobicContact CD2-CG 4.39Å; W27-K210 HydrophobicContact CE3-CG 3.73Å; W27-K210 HydrophobicContact CH2-CD 4.32Å; W27-K210 HydrophobicContact CH2-CG 3.4Å; W27-K210 VanDerWaalsContact CH2-CG 3.4Å; W27-K210 HydrophobicContact CZ2-CG 4.1Å; W27-K210 HydrophobicContact CZ3-CB 4.08Å; W27-K210 HydrophobicContact CZ3-CD 4.36Å; W27-K210 HydrophobicContact CZ3-CG 3.2Å; W27-F214 HydrophobicContact CE3-CZ 4.35Å
28S33.4Very low31.1Very low23 Ų2395.6 Ų95.616%0.16153%0.534CS..  trans-106.4121.7159.779.30000110S9 P10 Q30S9-S28 PolarHBondContact OG-O 3.23Å; P10-S28 PolarHBondContact O-OG 3.29Å; S28-Q30 PolarHBondContact O-N 2.86Å
29P30.7Very low30.8Very low29 Ų2994.9 Ų94.919%0.18854%0.539CS..  trans-78.4110.1172.327.9-27.7000109.3F214P29-F214 HydrophobicContact CB-CE1 4.02Å; P29-F214 HydrophobicContact CB-CE2 4.43Å; P29-F214 HydrophobicContact CB-CZ 3.95Å; P29-F214 HydrophobicContact CG-CE1 4.29Å
30Q34.4Very low30.5Very low121 Ų12194.4 Ų94.457%0.56554%0.539SS*.  trans-118.494.5165.3-65.4-157.82.100110.4S9 S28S9-Q30 PolarHBondContact OG-N 3.14Å; S9-Q30 VanDerWaalsContact OG-N 3.15Å; S28-Q30 PolarHBondContact O-N 2.86Å
31A28.4Very low30Very low50 Ų5092.3 Ų92.341%0.41354%0.536SS..  trans-103.799.2151.600000107I33 M456A31-I33 PolarHBondContact O-N 3.17Å; A31-M456 HydrophobicContact CB-CE 3.61Å; A31-M456 HydrophobicContact CB-SD 3.68Å
32V25.1Very low29.6Very low120 Ų12094 Ų9473%0.72755%0.548SS*.  trans-73.7114.8172.4176.40000108.1
33I25.5Very low29.3Very low112 Ų11295.1 Ų95.157%0.57456%0.56SS**  trans-85119.1165.1-58.2174.4000106.3A31 L35 F449A31-I33 PolarHBondContact O-N 3.17Å; I33-L35 PolarHBondContact O-N 3.12Å; I33-L35 VanDerWaalsContact O-N 3.11Å; I33-F449 HydrophobicContact CD1-CD2 4.46Å; I33-F449 HydrophobicContact CD1-CE2 3.49Å; I33-F449 VanDerWaalsContact CD1-CE2 3.49Å; I33-F449 HydrophobicContact CD1-CZ 4.15Å
34P23Very low28.9Very low112 Ų112101.2 Ų101.273%0.72759%0.589SS**  trans-65.1116177.7-14.527.8000109.2
35L24.5Very low28.3Very low166 Ų166103.9 Ų103.987%0.86962%0.623SS**  trans-73.4122153.4-93.8108.7000107I33 N37I33-L35 PolarHBondContact O-N 3.12Å; I33-L35 VanDerWaalsContact O-N 3.11Å; L35-N37 PolarHBondContact O-N 3.06Å
36E23.3Very low27.5Very low183 Ų183105.2 Ų105.286%0.85564%0.644SS**SBendtrans-46.8110.2163.1-78.5179.9138.200109.1
37N26.5Very low27.2Very low162 Ų162108.5 Ų108.587%0.86667%0.669SS**  trans178.1108.2136.7-86.1-27.4000108.7L35L35-N37 PolarHBondContact O-N 3.06Å
38G23.7Very low27.2Very low78 Ų78110.5 Ų110.580%0.80469%0.685SS**  trans-69.3135175.900000112.1
39V25.2Very low27.4Very low136 Ų136113.2 Ų113.282%0.82470%0.702SS**  trans-146.3110.3140.21790000105.7
40M23.5Very low27.9Very low183 Ų183116.2 Ų116.290%0.90172%0.717SS**  trans-77.4125.8171.4-65.5-163.2-150.500108.7
41C23.8Very low28.2Very low120 Ų120117.7 Ų117.781%0.81172%0.723SS**  trans-107.3114.2160.7-72.20000107.4G43C41-G43 PolarHBondContact O-N 3.35Å
42D23Very low29.1Very low166 Ų166120.3 Ų120.389%0.88873%0.727SS**  trans-60125.9168.7-72.9-47.8000109.9
43G25.6Very low30.3Very low71 Ų71117.8 Ų117.873%0.73271%0.707SS**  trans-163.396.2178.600000111.8C41C41-G43 PolarHBondContact O-N 3.35Å
44D26.7Very low31.7Very low169 Ų169117.5 Ų117.590%0.90470%0.703SS**  trans35.9118160.6-75.5-31.6000121.1G46D44-G46 PolarHBondContact O-N 2.8Å
45A27.9Very low33.6Very low114 Ų114116.8 Ų116.894%0.94269%0.69SS**  trans-63.184.9168.900000112.1
46G28.3Very low35.7Very low59 Ų59113.7 Ų113.761%0.60867%0.674SS**  trans-76.3147154.100000110D44 S48D44-G46 PolarHBondContact O-N 2.8Å; G46-S48 PolarHBondContact O-N 3.32Å
47S33Very low37.8Very low93 Ų93109.5 Ų109.565%0.6566%0.655SS**SBendtrans-29.4125.2175.544.90000113.7
48S34.7Very low39.9Very low54 Ų54105 Ų10538%0.37863%0.631SS.*  trans-50.3123.6-171.7-160.60000110.9G46 D50 H51G46-S48 PolarHBondContact O-N 3.32Å; S48-D50 PolarHBondContact O-N 3.35Å; S48-D50 PolarHBondContact OG-OD2 3.02Å; S48-D50 VanDerWaalsContact OG-OD2 3.07Å; S48-H51 PolarHBondContact O-N 3.16Å; S48-H51 VanDerWaalsContact O-N 3.14Å
49P38.5Very low42.5Very low80 Ų80106.1 Ų106.152%0.51962%0.615SS.*Hα-helixtrans-54.8-24.2177.418-28.8000112.7H51 H52 Q53P49-H51 VanDerWaalsContact C-N 3.3Å; P49-H51 PolarHBondContact O-N 3.39Å; P49-H52 PolarHBondContact O-N 3.28Å; P49-Q53 VanDerWaalsContact O-CG 3.27Å; P49-Q53 WeakPolarHBondContact O-CG 3.36Å; P49-Q53 PolarHBondContact O-N 3.17Å; P49-Q53 VanDerWaalsContact O-N 3.11Å
50D41.1Very low44.9Very low92 Ų92100.1 Ų100.149%0.49258%0.578SS.*Hα-helixtrans-56-37.7177.2-58.6-31.7000113.6S48 Q54S48-D50 PolarHBondContact O-N 3.35Å; S48-D50 PolarHBondContact OG-OD2 3.02Å; S48-D50 VanDerWaalsContact OG-OD2 3.07Å; D50-Q54 WeakPolarHBondContact O-CB 3.49Å; D50-Q54 PolarHBondContact O-N 3.44Å
51H41.5Very low47.4Very low151 Ų15191.8 Ų91.870%0.69954%0.537SS*.Hα-helixtrans-72.9-40.2-177.1-88.1-55.3000112.5S48 P49 Q55S48-H51 PolarHBondContact O-N 3.16Å; S48-H51 VanDerWaalsContact O-N 3.14Å; P49-H51 VanDerWaalsContact C-N 3.3Å; P49-H51 PolarHBondContact O-N 3.39Å; H51-Q55 WeakPolarHBondContact O-CB 3.34Å; H51-Q55 PolarHBondContact O-N 2.95Å; H51-Q55 VanDerWaalsContact O-N 3.16Å
52H46.3Very low50.1Low105 Ų10590.7 Ų90.749%0.48652%0.523SS..Hα-helixtrans-68.4-38.1176.4-73.5-65.3000111.3P49 Q55 D56P49-H52 PolarHBondContact O-N 3.28Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.35Å; H52-D56 PolarHBondContact O-N 3.21Å
53Q50.9Low53Low68 Ų6886.6 Ų86.632%0.31850%0.5SS..Hα-helixtrans-69.1-43.6179.5-71.3173.17.200113.2C8 P49 Q55 D56 H57C8-Q53 PolarHBondContact O-OE1 3.4Å; P49-Q53 VanDerWaalsContact O-CG 3.27Å; P49-Q53 WeakPolarHBondContact O-CG 3.36Å; P49-Q53 PolarHBondContact O-N 3.17Å; P49-Q53 VanDerWaalsContact O-N 3.11Å; Q53-Q55 PolarHBondContact O-N 3.06Å; Q53-D56 PolarHBondContact O-N 2.97Å; Q53-H57 PolarHBondContact O-N 3.34Å
54Q55.4Low55.7Low105 Ų10583.2 Ų83.249%0.49147%0.465SS..Hα-helixtrans-61.6-39.8174.9-172.66337.400110.3D50 H57 D58D50-Q54 WeakPolarHBondContact O-CB 3.49Å; D50-Q54 PolarHBondContact O-N 3.44Å; Q54-H57 PolarHBondContact O-N 3.14Å; Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 VanDerWaalsContact O-CB 3.29Å; Q54-D58 WeakPolarHBondContact O-CB 3.47Å; Q54-D58 PolarHBondContact O-N 2.84Å
55Q61.6Low58.3Low97 Ų9776.7 Ų76.745%0.45343%0.43SS..Hα-helixtrans-63-47.4176.2-174.2-179.9-10.700112.3H51 H52 Q53 H57 D58 E59H51-Q55 WeakPolarHBondContact O-CB 3.34Å; H51-Q55 PolarHBondContact O-N 2.95Å; H51-Q55 VanDerWaalsContact O-N 3.16Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.35Å; Q53-Q55 PolarHBondContact O-N 3.06Å; Q55-H57 VanDerWaalsContact C-N 3.33Å; Q55-H57 PolarHBondContact O-N 2.85Å; Q55-D58 PolarHBondContact O-N 2.69Å; Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.4Å; Q55-E59 PolarHBondContact NE2-OE1 3.34Å; Q55-E59 WeakPolarHBondContact O-CB 3.15Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.44Å
56D68.6Low61Low101 Ų10177.8 Ų77.854%0.5442%0.416SS..Hα-helixtrans-62.3-40179-70.3-21.9000112H52 Q53 L60H52-D56 PolarHBondContact O-N 3.21Å; Q53-D56 PolarHBondContact O-N 2.97Å; D56-L60 WeakPolarHBondContact O-CB 3.45Å; D56-L60 PolarHBondContact O-N 3.46Å
57H67.2Low63.6Low96 Ų9678.3 Ų78.344%0.44440%0.402SS..Hα-helixtrans-64.9-50.5174.2-174.766.3000110.8Q53 Q54 Q55 E59 L60 M61Q53-H57 PolarHBondContact O-N 3.34Å; Q54-H57 PolarHBondContact O-N 3.14Å; Q55-H57 VanDerWaalsContact C-N 3.33Å; Q55-H57 PolarHBondContact O-N 2.85Å; H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.9Å; H57-L60 WeakPolarHBondContact O-CB 3.42Å; H57-L60 PolarHBondContact O-N 3.21Å; H57-M61 WeakPolarHBondContact O-CB 3.46Å; H57-M61 WeakPolarHBondContact O-CG 3.36Å; H57-M61 PolarHBondContact O-N 2.91Å
58D71.7Confident66Low67 Ų6773.9 Ų73.936%0.35837%0.371SS..Hα-helixtrans-59.4-38.4179.1-68.3-18.1000111.7Q54 Q55 M61 N62Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 VanDerWaalsContact O-CB 3.29Å; Q54-D58 WeakPolarHBondContact O-CB 3.47Å; Q54-D58 PolarHBondContact O-N 2.84Å; Q55-D58 PolarHBondContact O-N 2.69Å; D58-M61 PolarHBondContact O-N 3.37Å; D58-N62 WeakPolarHBondContact O-CB 3.31Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.85Å; D58-N62 PolarHBondContact O-ND2 2.8Å
59E78.3Confident68.3Low102 Ų10274.7 Ų74.748%0.47737%0.371SS..Hα-helixtrans-64.5-47.2175.2-77.6-179.3-165.300112.2Q55 H57 M61 N62 M63Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.4Å; Q55-E59 PolarHBondContact NE2-OE1 3.34Å; Q55-E59 WeakPolarHBondContact O-CB 3.15Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.44Å; H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.9Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.2Å; E59-N62 PolarHBondContact O-N 3.24Å; E59-M63 PolarHBondContact O-N 3.46Å
60L75.2Confident70.5Confident10 Ų1074.1 Ų74.15%0.05237%0.366CS..Hα-helixtrans-57.2-46.9173.117259.7000111L11 L25 D56 H57 N62 M63 L64L11-L60 HydrophobicContact CD1-CD2 3.74Å; L25-L60 HydrophobicContact CD1-CB 4.3Å; L25-L60 HydrophobicContact CD1-CD1 3.39Å; L25-L60 HydrophobicContact CD1-CD2 3.56Å; L25-L60 HydrophobicContact CD1-CG 3.91Å; D56-L60 WeakPolarHBondContact O-CB 3.45Å; D56-L60 PolarHBondContact O-N 3.46Å; H57-L60 WeakPolarHBondContact O-CB 3.42Å; H57-L60 PolarHBondContact O-N 3.21Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.22Å; L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 3.35Å
61M76.5Confident72.5Confident7 Ų770.6 Ų70.63%0.03435%0.347CS..Hα-helixtrans-63.7-41.1-178.1-68.3-51.6-66.100112.2H57 D58 E59 M63 L64 L65 L205 Y401H57-M61 WeakPolarHBondContact O-CB 3.46Å; H57-M61 WeakPolarHBondContact O-CG 3.36Å; H57-M61 PolarHBondContact O-N 2.91Å; D58-M61 PolarHBondContact O-N 3.37Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.2Å; M61-M63 VanDerWaalsContact C-N 3.33Å; M61-L64 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact SD-CD1 4.5Å; M61-L65 WeakPolarHBondContact O-CB 3.25Å; M61-L65 PolarHBondContact O-N 3.5Å; M61-L205 HydrophobicContact CE-CD1 3.6Å; M61-L205 HydrophobicContact CE-CD2 3.34Å; M61-L205 HydrophobicContact CE-CG 4.14Å; M61-L205 HydrophobicContact SD-CD1 4.49Å; M61-L205 HydrophobicContact SD-CD2 3.34Å; M61-L205 WeakPolarHBondContact SD-CD2 3.34Å; M61-Y401 HydrophobicContact CB-CE1 4.07Å; M61-Y401 VanDerWaalsContact CB-OH 3.27Å; M61-Y401 WeakPolarHBondContact CB-OH 3.29Å; M61-Y401 HydrophobicContact CE-CD1 3.94Å; M61-Y401 HydrophobicContact CE-CD2 3.94Å; M61-Y401 HydrophobicContact CE-CE1 3.37Å; M61-Y401 HydrophobicContact CE-CE2 3.37Å; M61-Y401 HydrophobicContact CE-CG 4.23Å; M61-Y401 WeakPolarHBondContact CE-OH 3.3Å
62N80.4Confident74.3Confident97 Ų9764.5 Ų64.552%0.51932%0.32SS..Hα-helixtrans-63.7-39.1174.7-76-40.9000111.8D58 E59 L60 L65 Q66D58-N62 WeakPolarHBondContact O-CB 3.31Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.85Å; D58-N62 PolarHBondContact O-ND2 2.8Å; E59-N62 PolarHBondContact O-N 3.24Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å; N62-L65 PolarHBondContact O-N 2.83Å; N62-Q66 WeakPolarHBondContact O-CB 3.42Å; N62-Q66 PolarHBondContact O-N 2.89Å
63M82.9Confident75.8Confident80 Ų8064 Ų6439%0.39432%0.32SS..Hα-helixtrans-61.4-49.1175.1-175-169-60.400111.5E59 L60 M61 L65 Q66 E67E59-M63 PolarHBondContact O-N 3.46Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.22Å; M61-M63 VanDerWaalsContact C-N 3.33Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 3.02Å; M63-Q66 PolarHBondContact O-N 3.42Å; M63-E67 WeakPolarHBondContact O-CB 2.92Å; M63-E67 PolarHBondContact O-N 3.15Å
64L82.2Confident76.8Confident0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-62.5-40.6178.9-67.8176.3000112L60 M61 A68 R200 I201 E204L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 3.35Å; M61-L64 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact SD-CD1 4.5Å; L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.07Å; L64-R200 HydrophobicContact CD2-CG 4.4Å; L64-I201 HydrophobicContact CB-CG1 4.3Å; L64-I201 HydrophobicContact CD2-CG1 3.99Å; L64-E204 HydrophobicContact CD1-CB 4.17Å; L64-E204 HydrophobicContact CD1-CG 4.32Å
65L82Confident77.2Confident32 Ų3263.2 Ų63.217%0.16832%0.318CS..Hα-helixtrans-66.2-42.9177.1-178.560.1000111.8M61 N62 M63 A68 N69 Y401 A403M61-L65 WeakPolarHBondContact O-CB 3.25Å; M61-L65 PolarHBondContact O-N 3.5Å; N62-L65 PolarHBondContact O-N 2.83Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 3.02Å; L65-A68 PolarHBondContact O-N 2.95Å; L65-N69 PolarHBondContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.19Å; L65-Y401 HydrophobicContact CB-CD1 4.28Å; L65-Y401 HydrophobicContact CB-CE1 4.31Å; L65-Y401 HydrophobicContact CD1-CD1 4.27Å; L65-Y401 HydrophobicContact CD2-CD1 4.49Å; L65-Y401 HydrophobicContact CD2-CE1 4.44Å; L65-A403 HydrophobicContact CD1-CB 4.1Å
66Q84.2Confident77.1Confident138 Ų13863.6 Ų63.665%0.64532%0.32SS*.Hα-helixtrans-63.8-44.6177.2-174.7174.40.400111.3N62 M63 N69 V70N62-Q66 WeakPolarHBondContact O-CB 3.42Å; N62-Q66 PolarHBondContact O-N 2.89Å; M63-Q66 PolarHBondContact O-N 3.42Å; Q66-N69 PolarHBondContact O-N 3.04Å; Q66-V70 WeakPolarHBondContact O-CG2 3.5Å; Q66-V70 PolarHBondContact O-N 2.92Å
67E83.9Confident76.5Confident70 Ų7066 Ų6633%0.32733%0.332SS..Hα-helixtrans-59.1-47.3175.3-177.3172.4-159.400111.3M63 N69 V70 L71 A197M63-E67 WeakPolarHBondContact O-CB 2.92Å; M63-E67 PolarHBondContact O-N 3.15Å; E67-N69 PolarHBondContact O-N 2.7Å; E67-V70 PolarHBondContact O-N 3.44Å; E67-L71 HydrophobicContact CG-CD1 3.86Å; E67-L71 HydrophobicContact CG-CG 4.44Å; E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 3.43Å; E67-A197 HydrophobicContact CG-CB 4.31Å
68A82.3Confident75.8Confident0 Ų066.4 Ų66.40%035%0.345CS..Hα-helixtrans-59.7-45.5178.300000112.5L64 L65 V70 L71 L72 I201 A403 L407L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.07Å; L65-A68 PolarHBondContact O-N 2.95Å; A68-V70 PolarHBondContact O-N 3.02Å; A68-L71 PolarHBondContact O-N 3.45Å; A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 WeakPolarHBondContact O-CG 3.41Å; A68-L72 PolarHBondContact O-N 3.1Å; A68-I201 HydrophobicContact CB-CD1 4.1Å; A68-A403 HydrophobicContact CB-CB 4.35Å; A68-L407 HydrophobicContact CB-CB 4.5Å; A68-L407 HydrophobicContact CB-CD2 4.23Å
69N84.4Confident74.6Confident70 Ų7067.3 Ų67.337%0.37436%0.357SS..Hα-helixtrans-60.6-44.8176.8-77.2-45000112L65 Q66 E67 L71 L72 L73 A403L65-N69 PolarHBondContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.19Å; Q66-N69 PolarHBondContact O-N 3.04Å; E67-N69 PolarHBondContact O-N 2.7Å; N69-L71 PolarHBondContact O-N 3.23Å; N69-L72 PolarHBondContact O-N 3.27Å; N69-L73 WeakPolarHBondContact O-CB 3.5Å; N69-L73 VanDerWaalsContact O-CG 3.22Å; N69-L73 WeakPolarHBondContact O-CG 3.13Å; N69-L73 PolarHBondContact O-N 2.65Å; N69-A403 WeakPolarHBondContact OD1-CB 2.87Å
70V84.2Confident72.4Confident69 Ų6965 Ų6542%0.41836%0.361SS..Hα-helixtrans-61.2-44.5178.1170.50000111.2Q66 E67 A68 L73 Q74Q66-V70 WeakPolarHBondContact O-CG2 3.5Å; Q66-V70 PolarHBondContact O-N 2.92Å; E67-V70 PolarHBondContact O-N 3.44Å; A68-V70 PolarHBondContact O-N 3.02Å; V70-L73 PolarHBondContact O-N 3.48Å; V70-Q74 WeakPolarHBondContact O-CG 3.36Å; V70-Q74 PolarHBondContact O-N 2.89Å
71L82.7Confident70.2Confident17 Ų1770.6 Ų70.69%0.08939%0.391CS..Hα-helixtrans-72.2-29.6-177.7-67.3173.8000113.5E67 A68 N69 K194 A197 L407E67-L71 HydrophobicContact CG-CD1 3.86Å; E67-L71 HydrophobicContact CG-CG 4.44Å; E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 3.45Å; N69-L71 PolarHBondContact O-N 3.23Å; L71-K194 HydrophobicContact CB-CG 4.46Å; L71-K194 HydrophobicContact CD2-CG 4.16Å; L71-A197 HydrophobicContact CD1-CB 3.46Å; L71-A197 VanDerWaalsContact CD1-CB 3.46Å; L71-L407 HydrophobicContact CB-CD1 4.15Å; L71-L407 HydrophobicContact CB-CD2 4.41Å; L71-L407 HydrophobicContact CD1-CD2 3.9Å
72L79Confident68.1Low24 Ų2476.5 Ų76.513%0.12643%0.43CS..Hα-helixtrans-72.6-45.1172.6-73178.3000111.5A68 N69 Q74 D75 A403 L407A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 WeakPolarHBondContact O-CG 3.41Å; A68-L72 PolarHBondContact O-N 3.1Å; N69-L72 PolarHBondContact O-N 3.27Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; L72-Q74 PolarHBondContact O-N 2.91Å; L72-D75 VanDerWaalsContact O-CB 3.28Å; L72-D75 WeakPolarHBondContact O-CB 3.38Å; L72-D75 PolarHBondContact O-N 3.03Å; L72-D75 VanDerWaalsContact O-N 3.12Å; L72-A403 HydrophobicContact CD1-CB 3.93Å; L72-A403 WeakPolarHBondContact CD1-O 3.42Å; L72-L407 HydrophobicContact CD2-CB 4.45Å; L72-L407 HydrophobicContact CD2-CD1 4.18Å; L72-L407 HydrophobicContact CG-CD1 4.49Å
73L77.8Confident65.7Low94 Ų9476.6 Ų76.649%0.49244%0.438SS..Hα-helixtrans-64.5-33.1-179.6-72.6171.3000113.8N69 V70 D75 E76 L77N69-L73 WeakPolarHBondContact O-CB 3.5Å; N69-L73 VanDerWaalsContact O-CG 3.22Å; N69-L73 WeakPolarHBondContact O-CG 3.13Å; N69-L73 PolarHBondContact O-N 2.65Å; V70-L73 PolarHBondContact O-N 3.48Å; L73-D75 PolarHBondContact O-N 2.83Å; L73-E76 PolarHBondContact O-N 3.22Å; L73-L77 PolarHBondContact O-N 3.36Å
74Q72.6Confident63.1Low98 Ų9877.7 Ų77.746%0.45845%0.453SS..Hα-helixtrans-58.9-28174.8-78.1176500112.7V70 L72 S78V70-Q74 WeakPolarHBondContact O-CG 3.36Å; V70-Q74 PolarHBondContact O-N 2.89Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; L72-Q74 PolarHBondContact O-N 2.91Å; Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 3.28Å; Q74-S78 PolarHBondContact O-OG 2.86Å
75D63Low60.4Low58 Ų5885.9 Ų85.931%0.3150%0.497SS..Hα-helixtrans-75.7-44177.9-138.949.3000111.1L72 L73 L77 S78 S79 K194 R410L72-D75 VanDerWaalsContact O-CB 3.28Å; L72-D75 WeakPolarHBondContact O-CB 3.38Å; L72-D75 PolarHBondContact O-N 3.03Å; L72-D75 VanDerWaalsContact O-N 3.12Å; L73-D75 PolarHBondContact O-N 2.83Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.42Å; D75-S78 CarbonylContact O-C 3.59Å; D75-S78 WeakPolarHBondContact O-CA 3.47Å; D75-S78 PolarHBondContact O-N 3.46Å; D75-S79 WeakPolarHBondContact O-CB 3.47Å; D75-S79 PolarHBondContact O-N 2.88Å; D75-S79 PolarHBondContact O-OG 3.29Å; D75-S79 VanDerWaalsContact O-OG 3.05Å; D75-K194 IonicContact OD1-NZ 3.61Å; D75-K194 PolarHBondContact OD1-NZ 2.86Å; D75-R410 IonicContact OD2-CZ 2.91Å; D75-R410 IonicContact OD2-NH1 2.62Å; D75-R410 PolarHBondContact OD2-NH1 2.94Å
76E59.9Low57.6Low105 Ų10587.2 Ų87.249%0.49152%0.519SS..Hα-helixtrans-60.2-38.2178-63-175.1166.100112.1L73 S78 G80L73-E76 PolarHBondContact O-N 3.22Å; E76-S78 VanDerWaalsContact C-N 3.31Å; E76-G80 PolarHBondContact O-N 3.5Å
77L55.4Low54.9Low152 Ų15290.7 Ų90.780%0.79653%0.532SS*.Hα-helixtrans-70.8-27.3174.9-69.7171.3000112.9L73 D75L73-L77 PolarHBondContact O-N 3.36Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.42Å
78S53.1Low52.1Low104 Ų10493.6 Ų93.673%0.72755%0.55SS*.Hα-helixtrans-88.1-28.9179.5-57.90000112.4Q74 D75 E76 G80Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 3.28Å; Q74-S78 PolarHBondContact O-OG 2.86Å; D75-S78 CarbonylContact O-C 3.59Å; D75-S78 WeakPolarHBondContact O-CA 3.47Å; D75-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact C-N 3.31Å; S78-G80 VanDerWaalsContact C-N 3.34Å
79S46.8Very low49.4Very low86 Ų86102.4 Ų102.460%0.60159%0.591SS**SBendtrans-90.96.117869.40000113.3D75 D81D75-S79 WeakPolarHBondContact O-CB 3.47Å; D75-S79 PolarHBondContact O-N 2.88Å; D75-S79 PolarHBondContact O-OG 3.29Å; D75-S79 VanDerWaalsContact O-OG 3.05Å; S79-D81 PolarHBondContact O-N 2.68Å
80G32.1Very low46.5Very low54 Ų54109.3 Ų109.356%0.55761%0.612SS**  trans-63.289.2-178.200000112.8E76 S78E76-G80 PolarHBondContact O-N 3.5Å; S78-G80 VanDerWaalsContact C-N 3.34Å
81D28.7Very low43.7Very low127 Ų127113.5 Ų113.568%0.67963%0.631SS**  trans-68.4121.2157.4-155.7-4.9000107.3S79 S83S79-D81 PolarHBondContact O-N 2.68Å; D81-S83 PolarHBondContact O-N 2.68Å
82P32.8Very low41Very low132 Ų132120.9 Ų120.986%0.85767%0.67SS**SBendtrans-74.729.7-168.423.3-24.9000114.7
83S30.9Very low38.3Very low98 Ų98125.7 Ų125.769%0.68570%0.7SS**  trans-130.961.7179.8640000113.2D81D81-S83 PolarHBondContact O-N 2.68Å
84S28.2Very low35.8Very low103 Ų103124.7 Ų124.772%0.7271%0.712SS**  trans-152.673.3163.3173.30000110.2
85D24.1Very low33.4Very low173 Ų173129.6 Ų129.693%0.92574%0.735SS**  trans-81.9122.2167.4-156.49.6000108.6
86G23.8Very low31.8Very low60 Ų60130.3 Ų130.362%0.61976%0.756SS**  trans7898.1165.400000117.7
87F28Very low30Very low211 Ų211133.6 Ų133.693%0.92578%0.777SS**  trans-130.4126.2153.3-109.8-90.4000111.8
88D24.3Very low28.7Very low130 Ų130130 Ų13070%0.69578%0.776SS**  trans-76.2133.3-162.2-158.7-4.9000112.4R90D88-R90 PolarHBondContact O-N 2.86Å; D88-R90 VanDerWaalsContact O-N 3.13Å
89Q25.6Very low27.4Very low186 Ų186128.1 Ų128.187%0.86977%0.774SS**  trans-73.895.2175.2-84173.3-4.800110
90R23.3Very low26.6Very low214 Ų214131.5 Ų131.581%0.80878%0.784SS**  trans-127.693.5161.3-76.3-172.5168.9158.9-0.6111.4D88 L92D88-R90 PolarHBondContact O-N 2.86Å; D88-R90 VanDerWaalsContact O-N 3.13Å; R90-L92 PolarHBondContact O-N 3.01Å
91L25.2Very low26.7Very low158 Ų158133.4 Ų133.483%0.82778%0.781SS**  trans-39.6118.5159.8-108.177.5000110.7V93L91-V93 HydrophobicContact CD2-CG2 4.23Å
92L26.5Very low27.1Very low172 Ų172131.5 Ų131.590%0.90177%0.77SS**  trans-106.4104.4154.3-77.3173.2000107.8R90 G94R90-L92 PolarHBondContact O-N 3.01Å; L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 3.08Å
93V22.8Very low26.8Very low125 Ų125128.3 Ų128.376%0.75876%0.762SS**  trans-7191.9168.4178.50000107.3L91L91-V93 HydrophobicContact CD2-CG2 4.23Å
94G25.3Very low26.5Very low72 Ų72131.6 Ų131.674%0.74277%0.771SS**  trans-93.3103.9169.900000110.4L92 G96L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 3.08Å; G94-G96 PolarHBondContact O-N 3.13Å
95Q22.5Very low26.3Very low202 Ų202130 Ų13094%0.94477%0.77SS**  trans-68114.1159-79.3-175-43.300108
96G27.9Very low26.4Very low73 Ų73128.9 Ų128.975%0.75377%0.769SS**  trans-147.5119.117700000110.6G94G94-G96 PolarHBondContact O-N 3.13Å
97N23.8Very low26.3Very low174 Ų174134.5 Ų134.593%0.9378%0.779SS**  trans-56.3131.2-175.1-88.1-19.2000114.1
98G26.4Very low26.2Very low75 Ų75132.8 Ų132.877%0.77377%0.774SS**  trans4.5117.9141.800000119.9
99G25.8Very low26.1Very low66 Ų66135.1 Ų135.168%0.6878%0.781SS**  trans79.7111.9143.200000116.1
100L30.2Very low26.2Very low156 Ų156132.8 Ų132.882%0.81778%0.779SS**  trans16985.1146.2-92.9151.7000108.8
101L34.9Very low26.4Very low94 Ų94130.6 Ų130.649%0.49278%0.78SS.*SBendtrans-123.5-6.4155.9-156.175.7000113.2V162L101-V162 HydrophobicContact CD2-CG1 3.49Å; L101-V162 VanDerWaalsContact CD2-CG1 3.49Å; L101-V162 HydrophobicContact CD2-CG2 4.34Å
102L37.9Very low26.9Very low87 Ų87131.7 Ų131.746%0.45578%0.781SS.*SBendtrans-133.491.9172.7-65.6173.1000107.4L104 Q383L102-L104 PolarHBondContact O-N 2.99Å; L102-Q383 HydrophobicContact CD1-CG 4.46Å
103G25.5Very low27.4Very low66 Ų66132.3 Ų132.368%0.6878%0.779SS**  trans-53.1100.2-176.800000112.1
104L25.4Very low28.9Very low167 Ų167129.3 Ų129.387%0.87476%0.764SS**  trans-113.895.9155.5-69.1178.8000106.8L102L102-L104 PolarHBondContact O-N 2.99Å
105G23.5Very low31.6Very low68 Ų68128 Ų12870%0.70174%0.743SS**SBendtrans85.596.7161.900000116.2
106V26.2Very low34.8Very low150 Ų150119.5 Ų119.591%0.90970%0.704SS**  161.4135.7119.9166.10000107.6
107Q21.7Very low37.8Very low178 Ų178116.7 Ų116.783%0.83268%0.675SS**  trans-62.7156.2-171.9-74163.3-38.800114.7
108E24.6Very low41.1Very low176 Ų176112.9 Ų112.982%0.82266%0.655SS**  trans70.994.8147-122.9165.9-167.900117.7
109E23.6Very low44.4Very low179 Ų179109.8 Ų109.884%0.83662%0.621SS**  163.9147.5108.5-85.9-174.2168.100111.9
110V28.2Very low47.8Very low137 Ų137106.8 Ų106.883%0.8359%0.589SS**  trans92.1108.9164.1-162.90000118.2
111M26.6Very low50.9Low168 Ų168100 Ų10083%0.82855%0.554SS**  trans-58.1142.6161.2-76.1162.634.400113.3
112E34.7Very low53.9Low180 Ų18097.1 Ų97.184%0.84154%0.544SS*.  trans127.3133.4154.5-75.5-173.7157.700111.8
113E38.5Very low56.7Low185 Ų18593 Ų9386%0.86452%0.523SS*.  trans79104-171-51.7-176.6176.400114.4S115E113-S115 PolarHBondContact O-N 3.18Å; E113-S115 VanDerWaalsContact O-N 3.07Å
114S53.5Low60.1Low63 Ų6389.9 Ų89.944%0.44149%0.49SS..  trans-52118.9156.8-46.80000106.7
115S81.7Confident63.5Low44 Ų4488.7 Ų88.731%0.30847%0.474SS..  trans-55.1149.4178.870.50000108.6E113 G117 D118 L119E113-S115 PolarHBondContact O-N 3.18Å; E113-S115 VanDerWaalsContact O-N 3.07Å; S115-G117 PolarHBondContact O-N 3.15Å; S115-D118 WeakPolarHBondContact CB-OD2 3.3Å; S115-D118 PolarHBondContact N-OD2 3.24Å; S115-D118 VanDerWaalsContact N-OD2 3.13Å; S115-D118 WeakPolarHBondContact O-CA 3.42Å; S115-D118 WeakPolarHBondContact O-CB 3.39Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.59Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; S115-L119 PolarHBondContact O-N 3.25Å; S115-L119 VanDerWaalsContact O-N 3.14Å
116L89.7Confident67.1Low23 Ų2385.8 Ų85.812%0.1244%0.443CS..Hα-helixtrans-51.5-33.9177.3-178.358.1000111.6L119 L120 I142 I146 V162 A166L116-L119 PolarHBondContact O-N 2.87Å; L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.45Å; L116-I142 HydrophobicContact CD1-CG1 4.32Å; L116-I142 HydrophobicContact CD1-CG2 4.12Å; L116-I146 HydrophobicContact CD1-CD1 4.41Å; L116-I146 HydrophobicContact CD1-CG1 4.45Å; L116-I146 HydrophobicContact CD2-CG1 4.41Å; L116-V162 HydrophobicContact CD2-CG1 4.49Å; L116-A166 HydrophobicContact CD1-CB 4.21Å; L116-A166 HydrophobicContact CD2-CB 3.43Å; L116-A166 VanDerWaalsContact CD2-CB 3.43Å; L116-A166 HydrophobicContact CG-CB 3.82Å
117G91.1Very high70.4Confident14 Ų1479.5 Ų79.514%0.14441%0.405CS..Hα-helixtrans-62-42.3171.400000114S115 L119 L120 V121S115-G117 PolarHBondContact O-N 3.15Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.42Å; G117-L120 PolarHBondContact O-N 3.41Å; G117-V121 VanDerWaalsContact O-CG2 3.29Å; G117-V121 WeakPolarHBondContact O-CG2 3.28Å; G117-V121 PolarHBondContact O-N 2.83Å
118D93.2Very high73.8Confident94 Ų9474.7 Ų74.750%0.50338%0.383SS..Hα-helixtrans-64.1-39.5176.6-64.3-45.6000112S115 V121 A122S115-D118 WeakPolarHBondContact CB-OD2 3.3Å; S115-D118 PolarHBondContact N-OD2 3.24Å; S115-D118 VanDerWaalsContact N-OD2 3.13Å; S115-D118 WeakPolarHBondContact O-CA 3.42Å; S115-D118 WeakPolarHBondContact O-CB 3.39Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.59Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; D118-V121 PolarHBondContact O-N 2.7Å; D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.35Å
119L95.4Very high77.1Confident11 Ų1170.2 Ų70.26%0.05837%0.371CS..Hα-helixtrans-63.9-45.1174.6-71.2174.9000111.4S115 L116 G117 V121 A122 G123 I138 R141 I142 I145S115-L119 PolarHBondContact O-N 3.25Å; S115-L119 VanDerWaalsContact O-N 3.14Å; L116-L119 PolarHBondContact O-N 2.87Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.42Å; L119-V121 PolarHBondContact O-N 2.89Å; L119-A122 PolarHBondContact O-N 3.49Å; L119-G123 PolarHBondContact O-N 2.93Å; L119-I138 HydrophobicContact CB-CG2 4.47Å; L119-I138 WeakPolarHBondContact O-CG2 3.2Å; L119-R141 HydrophobicContact CD1-CG 4.25Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CB-CG1 3.93Å; L119-I142 HydrophobicContact CD1-CG1 4.43Å; L119-I145 HydrophobicContact CD1-CD1 3.31Å
120L96.8Very high80.5Confident3 Ų372.2 Ų72.22%0.01637%0.371CS..Hα-helixtrans-59.9-45.5176.5-72.9167.1000111.6L116 G117 G123 A124 I142 A166 F169 A170 F378 L382L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.45Å; G117-L120 PolarHBondContact O-N 3.41Å; L120-G123 PolarHBondContact O-N 3.05Å; L120-A124 PolarHBondContact O-N 3.38Å; L120-I142 HydrophobicContact CD2-CD1 3.82Å; L120-I142 HydrophobicContact CG-CD1 4.25Å; L120-A166 HydrophobicContact CD1-CB 3.88Å; L120-F169 HydrophobicContact CD1-CB 4.47Å; L120-F169 HydrophobicContact CD2-CB 3.87Å; L120-A170 HydrophobicContact CD2-CB 4.49Å; L120-F378 HydrophobicContact CB-CE1 3.83Å; L120-F378 HydrophobicContact CB-CZ 4.01Å; L120-F378 HydrophobicContact CD2-CZ 4.48Å; L120-F378 WeakPolarHBondContact O-CE1 3.41Å; L120-L382 HydrophobicContact CD1-CD1 4.08Å
121V96.6Very high83.7Confident13 Ų1368.7 Ų68.78%0.07935%0.348CS..Hα-helixtrans-66.1-38.2177.7172.40000111.6G117 D118 L119 G123 A124 R125 F378 L382G117-V121 VanDerWaalsContact O-CG2 3.29Å; G117-V121 WeakPolarHBondContact O-CG2 3.28Å; G117-V121 PolarHBondContact O-N 2.83Å; D118-V121 PolarHBondContact O-N 2.7Å; L119-V121 PolarHBondContact O-N 2.89Å; V121-G123 VanDerWaalsContact C-N 3.35Å; V121-A124 PolarHBondContact O-N 2.94Å; V121-R125 WeakPolarHBondContact O-CG 3.34Å; V121-R125 PolarHBondContact O-N 2.88Å; V121-F378 HydrophobicContact CG2-CD1 4.42Å; V121-L382 HydrophobicContact CG2-CD2 4.35Å
122A97.1Very high87Confident34 Ų3464.7 Ų64.728%0.28133%0.332SS..Hα-helixtrans-63.9-41.1173.300000111.4D118 L119 R125 A126 I138D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.35Å; L119-A122 PolarHBondContact O-N 3.49Å; A122-R125 PolarHBondContact O-N 3.39Å; A122-A126 PolarHBondContact O-N 3.41Å; A122-I138 HydrophobicContact CB-CD1 3.96Å
123G97.4Very high90Very high1 Ų162.6 Ų62.61%0.0133%0.326CS..Hα-helixtrans-58.9-47172.900000111.5L119 L120 V121 R125 A126 V127L119-G123 PolarHBondContact O-N 2.93Å; L120-G123 PolarHBondContact O-N 3.05Å; V121-G123 VanDerWaalsContact C-N 3.35Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.44Å; G123-A126 PolarHBondContact O-N 3.48Å; G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 2.92Å
124A96.7Very high92.8Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-60-40.9176.700000113.1L120 V121 V127 E128 L173 F374 F378L120-A124 PolarHBondContact O-N 3.38Å; V121-A124 PolarHBondContact O-N 2.94Å; A124-V127 PolarHBondContact O-N 2.93Å; A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 PolarHBondContact O-N 3.39Å; A124-L173 HydrophobicContact CB-CD2 4.08Å; A124-F374 HydrophobicContact CB-CD1 4.44Å; A124-F374 HydrophobicContact CB-CE1 3.93Å; A124-F374 WeakPolarHBondContact O-CD1 3.41Å; A124-F378 HydrophobicContact CB-CB 3.8Å; A124-F378 HydrophobicContact CB-CD1 3.56Å; A124-F378 HydrophobicContact CB-CD2 3.68Å; A124-F378 HydrophobicContact CB-CE1 4Å; A124-F378 HydrophobicContact CB-CE2 4.09Å; A124-F378 HydrophobicContact CB-CG 3.38Å; A124-F378 HydrophobicContact CB-CZ 4.24Å
125R97.6Very high94.8Very high141 Ų14153 Ų5353%0.53228%0.279SS..Hα-helixtrans-64.1-41.6174.5-72.9173.1177.1158-0.2112.3V121 A122 G123 E128 S129 A375V121-R125 WeakPolarHBondContact O-CG 3.34Å; V121-R125 PolarHBondContact O-N 2.88Å; A122-R125 PolarHBondContact O-N 3.39Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.44Å; R125-E128 WeakPolarHBondContact O-CB 3.42Å; R125-E128 PolarHBondContact O-N 3.5Å; R125-S129 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-OG 2.69Å; R125-A375 HydrophobicContact CG-CB 3.65Å
126A97.6Very high95.5Very high7 Ų753.5 Ų53.56%0.05828%0.283CS..Hα-helixtrans-65.3-40.417700000111.8A122 G123 S129 R130 D131 A135 I138A122-A126 PolarHBondContact O-N 3.41Å; G123-A126 PolarHBondContact O-N 3.48Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 2.87Å; A126-S129 VanDerWaalsContact O-OG 3.08Å; A126-R130 PolarHBondContact O-N 3.48Å; A126-R130 VanDerWaalsContact O-N 3.15Å; A126-D131 PolarHBondContact O-N 2.91Å; A126-A135 HydrophobicContact CB-CB 3.82Å; A126-I138 HydrophobicContact CB-CD1 4.38Å
127V95.3Very high95.9Very high18 Ų1855.3 Ų55.311%0.10930%0.301CS..Hα-helixtrans-64.3-42.6173.6175.10000111.2G123 A124 S129 R130 A135 L173 R176 M177 F374G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 2.92Å; A124-V127 PolarHBondContact O-N 2.93Å; V127-S129 PolarHBondContact O-N 3.3Å; V127-R130 PolarHBondContact O-N 3.38Å; V127-R130 VanDerWaalsContact O-N 3.11Å; V127-A135 HydrophobicContact CG2-CB 3.87Å; V127-L173 HydrophobicContact CB-CD2 4.37Å; V127-L173 HydrophobicContact CG2-CD2 4.06Å; V127-R176 HydrophobicContact CG1-CB 4.33Å; V127-R176 HydrophobicContact CG1-CG 3.83Å; V127-M177 HydrophobicContact CB-CG 4.41Å; V127-M177 HydrophobicContact CG1-CG 4.09Å; V127-M177 HydrophobicContact CG2-CG 3.5Å; V127-M177 VanDerWaalsContact CG2-CG 3.5Å; V127-M177 HydrophobicContact CG2-SD 3.71Å; V127-F374 HydrophobicContact CB-CE1 4.28Å; V127-F374 HydrophobicContact CG1-CE1 4.2Å
128E93.1Very high96.1Very high78 Ų7856.1 Ų56.136%0.36430%0.302SS..Hα-helixtrans-59-44.1174.7179.7163.7-120.700112.5A124 R125 R130 T373 F374 A375A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 PolarHBondContact O-N 3.39Å; R125-E128 WeakPolarHBondContact O-CB 3.42Å; R125-E128 PolarHBondContact O-N 3.5Å; E128-R130 PolarHBondContact O-N 3.23Å; E128-T373 VanDerWaalsContact OE1-CB 3.25Å; E128-T373 WeakPolarHBondContact OE1-CB 3.48Å; E128-F374 HydrophobicContact CB-CB 4.42Å; E128-F374 HydrophobicContact CB-CD1 4.13Å; E128-F374 HydrophobicContact CG-CB 4.41Å; E128-F374 WeakPolarHBondContact OE1-CB 3.35Å; E128-F374 PolarHBondContact OE1-N 3.12Å; E128-A375 VanDerWaalsContact OE2-CB 3.24Å; E128-A375 WeakPolarHBondContact OE2-CB 3.5Å
129S95.5Very high96.2Very high82 Ų8252 Ų5257%0.57328%0.28SS*.THydrogen-bonded Turntrans-77.91.8177.667.30000113.9R125 A126 V127 D131R125-S129 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-OG 2.69Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 2.87Å; A126-S129 VanDerWaalsContact O-OG 3.08Å; V127-S129 PolarHBondContact O-N 3.3Å; S129-D131 PolarHBondContact O-N 3.02Å
130R94.1Very high96.2Very high221 Ų22155.1 Ų55.183%0.83430%0.302SS*.THydrogen-bonded Turntrans5625.9-172.9-54-177.3175.9-166-2.4113.7A126 V127 E128 T132A126-R130 PolarHBondContact O-N 3.48Å; A126-R130 VanDerWaalsContact O-N 3.15Å; V127-R130 PolarHBondContact O-N 3.38Å; V127-R130 VanDerWaalsContact O-N 3.11Å; E128-R130 PolarHBondContact O-N 3.23Å; R130-T132 VanDerWaalsContact C-N 3.33Å; R130-T132 PolarHBondContact O-N 3.29Å; R130-T132 VanDerWaalsContact O-N 3.09Å
131D96.5Very high96Very high63 Ų6361.5 Ų61.534%0.33733%0.326SS..  trans-82.782172.7-175.6-7.1000109.3A126 S129 I133 S134 A135A126-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact O-N 3.02Å; D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 PolarHBondContact OD1-N 3.34Å; D131-S134 VanDerWaalsContact CG-CB 3.41Å; D131-S134 VanDerWaalsContact CG-OG 3.22Å; D131-S134 PolarHBondContact O-N 3.4Å; D131-S134 PolarHBondContact OD1-N 3.25Å; D131-S134 PolarHBondContact OD1-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.18Å; D131-S134 PolarHBondContact OD2-OG 3.44Å; D131-A135 VanDerWaalsContact O-CB 3.27Å; D131-A135 WeakPolarHBondContact O-CB 3.3Å; D131-A135 PolarHBondContact O-N 3.07Å
132T95Very high95.8Very high83 Ų8360.9 Ų60.951%0.50932%0.322SS..Hα-helixtrans-65.6-26.4-17755.40000113R130 S136R130-T132 VanDerWaalsContact C-N 3.33Å; R130-T132 PolarHBondContact O-N 3.29Å; R130-T132 VanDerWaalsContact O-N 3.09Å; T132-S136 VanDerWaalsContact O-CB 3.25Å; T132-S136 WeakPolarHBondContact O-CB 3.44Å; T132-S136 PolarHBondContact O-N 3.38Å; T132-S136 PolarHBondContact O-OG 2.91Å
133I97.1Very high95.5Very high136 Ų13663 Ų6370%0.69733%0.329SS*.Hα-helixtrans-70.4-53.8177.7-64.1165.2000109.2D131 A135 S136 A137D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 PolarHBondContact OD1-N 3.34Å; I133-A135 PolarHBondContact O-N 3.29Å; I133-S136 PolarHBondContact O-N 3.26Å; I133-A137 WeakPolarHBondContact O-CB 3.26Å; I133-A137 PolarHBondContact O-N 2.94Å
134S97.2Very high95.2Very high46 Ų4667.1 Ų67.132%0.32236%0.363SS..Hα-helixtrans-63.3-42.7178.1-64.30000111.5D131 S136 A137 I138D131-S134 VanDerWaalsContact CG-CB 3.41Å; D131-S134 VanDerWaalsContact CG-OG 3.22Å; D131-S134 PolarHBondContact O-N 3.4Å; D131-S134 PolarHBondContact OD1-N 3.25Å; D131-S134 PolarHBondContact OD1-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.18Å; D131-S134 PolarHBondContact OD2-OG 3.44Å; S134-S136 PolarHBondContact O-N 2.86Å; S134-A137 PolarHBondContact O-N 3.38Å; S134-I138 WeakPolarHBondContact O-CB 3.26Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.28Å; S134-I138 PolarHBondContact O-N 2.93Å
135A96.7Very high94.7Very high0 Ų070.4 Ų70.40%038%0.38CS..Hα-helixtrans-59-46.7177.400000111.7A126 V127 D131 I133 I138 L139 M177A126-A135 HydrophobicContact CB-CB 3.82Å; V127-A135 HydrophobicContact CG2-CB 3.87Å; D131-A135 VanDerWaalsContact O-CB 3.27Å; D131-A135 WeakPolarHBondContact O-CB 3.3Å; D131-A135 PolarHBondContact O-N 3.07Å; I133-A135 PolarHBondContact O-N 3.29Å; A135-I138 PolarHBondContact O-N 3.5Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 VanDerWaalsContact O-CG 3.29Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 2.88Å; A135-M177 HydrophobicContact CB-CE 3.79Å; A135-M177 HydrophobicContact CB-SD 3.74Å
136S96.5Very high94.1Very high56 Ų5664.1 Ų64.139%0.39236%0.356SS..Hα-helixtrans-64.3-42.6178.3-57.60000111.9T132 I133 S134 I138 L139 S140T132-S136 VanDerWaalsContact O-CB 3.25Å; T132-S136 WeakPolarHBondContact O-CB 3.44Å; T132-S136 PolarHBondContact O-N 3.38Å; T132-S136 PolarHBondContact O-OG 2.91Å; I133-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact O-N 2.86Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.11Å; S136-L139 PolarHBondContact O-N 3.43Å; S136-S140 PolarHBondContact O-N 3.31Å; S136-S140 PolarHBondContact O-OG 2.95Å; S136-S140 VanDerWaalsContact O-OG 3.08Å
137A97Very high92.8Very high61 Ų6166.5 Ų66.550%0.50437%0.371SS..Hα-helixtrans-62.9-40177.600000112.4I133 S134 R141I133-A137 WeakPolarHBondContact O-CB 3.26Å; I133-A137 PolarHBondContact O-N 2.94Å; S134-A137 PolarHBondContact O-N 3.38Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 VanDerWaalsContact O-N 3.08Å
138I96.5Very high91.2Very high31 Ų3168.5 Ų68.516%0.15940%0.396CS..Hα-helixtrans-66.5-45.6176.5-68.7164.2000110.8L119 A122 A126 S134 A135 S136 S140 R141 I142L119-I138 HydrophobicContact CB-CG2 4.47Å; L119-I138 WeakPolarHBondContact O-CG2 3.2Å; A122-I138 HydrophobicContact CB-CD1 3.96Å; A126-I138 HydrophobicContact CB-CD1 4.38Å; S134-I138 WeakPolarHBondContact O-CB 3.26Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.28Å; S134-I138 PolarHBondContact O-N 2.93Å; A135-I138 PolarHBondContact O-N 3.5Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.11Å; I138-S140 PolarHBondContact O-N 3.4Å; I138-R141 WeakPolarHBondContact O-CB 3.34Å; I138-R141 PolarHBondContact O-N 3.04Å; I138-R141 VanDerWaalsContact O-N 3.12Å; I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.07Å
139L95.4Very high89.3Confident7 Ų771.7 Ų71.74%0.03742%0.42CS..Hα-helixtrans-61.5-42.7177.6-71.7168.5000111.8A135 S136 R141 I142 D143 A170 L173 R174 M177A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 VanDerWaalsContact O-CG 3.29Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.43Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; L139-I142 HydrophobicContact CD2-CD1 4.39Å; L139-I142 WeakPolarHBondContact O-CB 3.17Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-I142 VanDerWaalsContact O-N 3.16Å; L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 2.96Å; L139-A170 HydrophobicContact CD2-CB 3.76Å; L139-L173 HydrophobicContact CD2-CB 4.21Å; L139-L173 HydrophobicContact CD2-CD1 4.15Å; L139-R174 HydrophobicContact CD1-CG 3.77Å; L139-M177 HydrophobicContact CD1-SD 3.62Å
140S94.3Very high87.1Confident76 Ų7670.9 Ų70.953%0.53143%0.425SS..Hα-helixtrans-61.9-34.8173.8-61.50000112.7S136 I138 D143 A144S136-S140 PolarHBondContact O-N 3.31Å; S136-S140 PolarHBondContact O-OG 2.95Å; S136-S140 VanDerWaalsContact O-OG 3.08Å; I138-S140 PolarHBondContact O-N 3.4Å; S140-D143 PolarHBondContact O-N 2.8Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å
141R93.8Very high85.1Confident138 Ų13863.7 Ų63.752%0.52141%0.406SS..Hα-helixtrans-69.3-38.7174.5-177.1173.4178.8166.5-0.1111.8L119 A137 I138 L139 D143 A144 I145L119-R141 HydrophobicContact CD1-CG 4.25Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 VanDerWaalsContact O-N 3.08Å; I138-R141 WeakPolarHBondContact O-CB 3.34Å; I138-R141 PolarHBondContact O-N 3.04Å; I138-R141 VanDerWaalsContact O-N 3.12Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; R141-D143 VanDerWaalsContact C-N 3.35Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CD1 3.39Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 3.37Å
142I92.6Very high83Confident0 Ų063.7 Ų63.70%041%0.409CS..Hα-helixtrans-60.5-46.6173.4-70.8162.6000110L116 L119 L120 I138 L139 A144 I145 I146 A170L116-I142 HydrophobicContact CD1-CG1 4.32Å; L116-I142 HydrophobicContact CD1-CG2 4.12Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CB-CG1 3.93Å; L119-I142 HydrophobicContact CD1-CG1 4.43Å; L120-I142 HydrophobicContact CD2-CD1 3.82Å; L120-I142 HydrophobicContact CG-CD1 4.25Å; I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.07Å; L139-I142 HydrophobicContact CD2-CD1 4.39Å; L139-I142 WeakPolarHBondContact O-CB 3.17Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-I142 VanDerWaalsContact O-N 3.16Å; I142-A144 VanDerWaalsContact C-N 3.26Å; I142-A144 PolarHBondContact O-N 3.08Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.1Å; I142-I146 HydrophobicContact CG2-CD1 3.55Å; I142-I146 HydrophobicContact CG2-CG1 4.37Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.21Å; I142-A170 HydrophobicContact CG2-CB 4.32Å
143D90.5Very high80.9Confident78 Ų7862.7 Ų62.742%0.41740%0.396SS..Hα-helixtrans-61.5-34.4177.8-63.2-24.2000112.4L139 S140 R141 I145 R174L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 2.96Å; S140-D143 PolarHBondContact O-N 2.8Å; R141-D143 VanDerWaalsContact C-N 3.35Å; D143-I145 VanDerWaalsContact C-N 3.34Å; D143-R174 IonicContact OD1-CZ 3.45Å; D143-R174 IonicContact OD1-NH2 3.05Å; D143-R174 PolarHBondContact OD1-NH2 3.27Å; D143-R174 IonicContact OD2-CZ 3.38Å; D143-R174 IonicContact OD2-NH2 3.93Å; D143-R174 PolarHBondContact OD2-NH2 3.36Å
144A89.4Confident78.6Confident87 Ų8761.2 Ų61.272%0.71939%0.39SS*.Hα-helixtrans-72.1-25.7176.800000113.6S140 R141 I142S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å; R141-A144 PolarHBondContact O-N 3.36Å; I142-A144 VanDerWaalsContact C-N 3.26Å; I142-A144 PolarHBondContact O-N 3.08Å
145I87Confident76.2Confident69 Ų6962.9 Ų62.935%0.35441%0.414SS..Hα-helixtrans-82.4-37.3178.5-68.6164.2000110.8L119 R141 I142 D143 P147L119-I145 HydrophobicContact CD1-CD1 3.31Å; R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CD1 3.39Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 3.37Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.1Å; D143-I145 VanDerWaalsContact C-N 3.34Å; I145-P147 WeakPolarHBondContact O-CD 3.49Å
146I84.9Confident73.9Confident9 Ų966.4 Ų66.45%0.04644%0.439CS..SBendtrans-86.1120.9-176.2-61.6172.5000109.9L116 I142 D163 A166 R167L116-I146 HydrophobicContact CD1-CD1 4.41Å; L116-I146 HydrophobicContact CD1-CG1 4.45Å; L116-I146 HydrophobicContact CD2-CG1 4.41Å; I142-I146 HydrophobicContact CG2-CD1 3.55Å; I142-I146 HydrophobicContact CG2-CG1 4.37Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.21Å; I146-D163 HydrophobicContact CG2-CB 3.9Å; I146-A166 HydrophobicContact CD1-CB 3.76Å; I146-R167 HydrophobicContact CD1-CG 3.87Å; I146-R167 HydrophobicContact CG2-CG 4Å
147P71.6Confident72Confident57 Ų5766.9 Ų66.937%0.3744%0.441SS..PPolyproline II helixtrans-56.9147.6175.7-23.233.4000112.7I145 R167I145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-R167 PolarHBondContact O-NH2 2.92Å
148G60.9Low70.4Confident61 Ų6170 Ų7063%0.62945%0.445SS*.PPolyproline II helixtrans-50.7155.1-178.400000114.4G150G148-G150 PolarHBondContact O-N 3.14Å
149V53Low69Low144 Ų14476 Ų7687%0.87347%0.466SS*.THydrogen-bonded Turntrans-57.7106.7179.8-177.80000109.1
150G49.6Very low68.1Low65 Ų6576.2 Ų76.267%0.6747%0.469SS*.THydrogen-bonded Turntrans153.92.9178.400000117.4G148 P152G148-G150 PolarHBondContact O-N 3.14Å; G150-P152 WeakPolarHBondContact O-CD 3.24Å
151V52.3Low67.4Low71 Ų7173.1 Ų73.143%0.4345%0.448SS..  trans-71.5112.9167.4-174.20000107.5
152P50.9Low66.9Low63 Ų6367.8 Ų67.841%0.40943%0.431SS..  trans-63.8156.1-179.4-16.130.4000110.2G150 N154G150-P152 WeakPolarHBondContact O-CD 3.24Å; P152-N154 HydrophobicContact CB-CB 4.49Å; P152-N154 PolarHBondContact O-N 3.03Å; P152-N154 PolarHBondContact O-OD1 2.99Å
153Y51.3Low66.7Low61 Ų6168.4 Ų68.424%0.23943%0.434CS..  trans-68.756.6166-92.3-85000111.2G155 H164 G402 G406 E409Y153-G155 VanDerWaalsContact C-N 3.29Å; Y153-G155 PolarHBondContact O-N 2.6Å; Y153-G155 VanDerWaalsContact O-N 3.16Å; Y153-H164 AromaticContact CE2-CE1 3.61Å; Y153-H164 AromaticContact CE2-ND1 3.87Å; Y153-H164 AromaticContact CZ-CE1 3.77Å; Y153-H164 AromaticContact CZ-ND1 3.65Å; Y153-H164 PolarHBondContact OH-ND1 3.48Å; Y153-H164 VanDerWaalsContact OH-ND1 3.14Å; Y153-G402 VanDerWaalsContact CD1-O 3.31Å; Y153-G402 WeakPolarHBondContact CD1-O 2.93Å; Y153-G406 VanDerWaalsContact CE1-CA 3.48Å; Y153-E409 PolarHBondContact OH-OE1 3.25Å; Y153-E409 PolarHBondContact OH-OE2 3.13Å
154N49.7Very low66.6Low105 Ų10566.1 Ų66.156%0.56142%0.421SS*.SBendtrans-89.758.8178.967.20.7000111.5P152 S156P152-N154 HydrophobicContact CB-CB 4.49Å; P152-N154 PolarHBondContact O-N 3.03Å; P152-N154 PolarHBondContact O-OD1 2.99Å; N154-S156 PolarHBondContact O-N 2.81Å
155G46.8Very low66.7Low81 Ų8162.6 Ų62.684%0.83539%0.39SS*.SBendtrans63.3-1.4165.700000117.4Y153Y153-G155 VanDerWaalsContact C-N 3.29Å; Y153-G155 PolarHBondContact O-N 2.6Å; Y153-G155 VanDerWaalsContact O-N 3.16Å
156S48.4Very low67Low74 Ų7459.5 Ų59.552%0.51737%0.374SS..  trans-134.3131.8171.6710000105.8N154N154-S156 PolarHBondContact O-N 2.81Å
157C56.4Low67.4Low66 Ų6660.8 Ų60.845%0.44638%0.379SS..  cis-163150.833.549.60000106.3R159 A160C157-R159 HydrophobicContact CB-CB 4.42Å; C157-R159 PolarHBondContact O-N 2.72Å; C157-A160 PolarHBondContact O-N 3.07Å; C157-A160 PolarHBondContact SG-N 3.38Å
158H62.4Low68.4Low127 Ų12759.3 Ų59.359%0.58837%0.366SS*.Hα-helixtrans-46.3-31.6171178.865.8000112.8A161 V162H158-A161 PolarHBondContact O-N 2.83Å; H158-V162 WeakPolarHBondContact O-CG2 3.29Å; H158-V162 PolarHBondContact O-N 2.98Å; H158-V162 VanDerWaalsContact O-N 3.09Å
159R67.4Low70.1Confident156 Ų15656.4 Ų56.459%0.58934%0.336SS*.Hα-helixtrans-61.6-41.9174.3-173.2172.4-174.7-119.8-0.9113.9C157 A161 V162 D163C157-R159 HydrophobicContact CB-CB 4.42Å; C157-R159 PolarHBondContact O-N 2.72Å; R159-A161 VanDerWaalsContact C-N 3.35Å; R159-A161 PolarHBondContact O-N 2.94Å; R159-V162 PolarHBondContact O-N 3.27Å; R159-D163 WeakPolarHBondContact O-CB 3.17Å; R159-D163 PolarHBondContact O-N 3.49Å
160A77.1Confident72.2Confident13 Ų1349.5 Ų49.511%0.10729%0.294CS..Hα-helixtrans-62.9-43.1178.300000111.4C157 V162 D163 H164C157-A160 PolarHBondContact O-N 3.07Å; C157-A160 PolarHBondContact SG-N 3.38Å; A160-V162 PolarHBondContact O-N 2.88Å; A160-D163 WeakPolarHBondContact O-CB 3.38Å; A160-D163 PolarHBondContact O-N 3.42Å; A160-H164 PolarHBondContact O-N 2.89Å; A160-H164 PolarHBondContact O-ND1 2.98Å; A160-H164 VanDerWaalsContact O-ND1 3.1Å
161A79.9Confident74.2Confident10 Ų1049.8 Ų49.88%0.08328%0.278CS..Hα-helixtrans-63.2-41.9176.600000111.7H158 R159 D163 H164 L165 L389H158-A161 PolarHBondContact O-N 2.83Å; R159-A161 VanDerWaalsContact C-N 3.35Å; R159-A161 PolarHBondContact O-N 2.94Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 3.43Å; A161-H164 PolarHBondContact O-N 2.81Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 PolarHBondContact O-N 3.12Å; A161-L389 HydrophobicContact CB-CD1 4.29Å; A161-L389 HydrophobicContact CB-CD2 3.93Å; A161-L389 HydrophobicContact CB-CG 4.38Å
162V82.5Confident76.2Confident27 Ų2746.4 Ų46.416%0.16426%0.258CS..Hα-helixtrans-60.9-42.5172.7168.40000111.6L101 L116 H158 R159 A160 L165 A166L101-V162 HydrophobicContact CD2-CG1 3.49Å; L101-V162 VanDerWaalsContact CD2-CG1 3.49Å; L101-V162 HydrophobicContact CD2-CG2 4.34Å; L116-V162 HydrophobicContact CD2-CG1 4.49Å; H158-V162 WeakPolarHBondContact O-CG2 3.29Å; H158-V162 PolarHBondContact O-N 2.98Å; H158-V162 VanDerWaalsContact O-N 3.09Å; R159-V162 PolarHBondContact O-N 3.27Å; A160-V162 PolarHBondContact O-N 2.88Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 3.32Å; V162-A166 WeakPolarHBondContact O-CB 3.18Å; V162-A166 PolarHBondContact O-N 3.4Å
163D88.8Confident78.3Confident13 Ų1343.4 Ų43.47%0.0724%0.238CC..Hα-helixtrans-65.4-39.4177.5-71-15.7000111.3I146 R159 A160 A161 A166 R167I146-D163 HydrophobicContact CG2-CB 3.9Å; R159-D163 WeakPolarHBondContact O-CB 3.17Å; R159-D163 PolarHBondContact O-N 3.49Å; A160-D163 WeakPolarHBondContact O-CB 3.38Å; A160-D163 PolarHBondContact O-N 3.42Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 3.43Å; D163-A166 PolarHBondContact O-N 3.24Å; D163-R167 PolarHBondContact O-N 2.82Å; D163-R167 PolarHBondContact O-NH1 3.3Å
164H88.5Confident80.4Confident30 Ų3044.4 Ų44.414%0.13924%0.241CC..Hα-helixtrans-63.4-47.1173.8-60.3142.2000111.2Y153 A160 A161 A166 R167 Y168 E409Y153-H164 AromaticContact CE2-CE1 3.61Å; Y153-H164 AromaticContact CE2-ND1 3.87Å; Y153-H164 AromaticContact CZ-CE1 3.77Å; Y153-H164 AromaticContact CZ-ND1 3.65Å; Y153-H164 PolarHBondContact OH-ND1 3.48Å; Y153-H164 VanDerWaalsContact OH-ND1 3.14Å; A160-H164 PolarHBondContact O-N 2.89Å; A160-H164 PolarHBondContact O-ND1 2.98Å; A160-H164 VanDerWaalsContact O-ND1 3.1Å; A161-H164 PolarHBondContact O-N 2.81Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 2.96Å; H164-R167 PolarHBondContact CD2-NH1 3.25Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.08Å; H164-Y168 HydrophobicContact CB-CE2 3.99Å; H164-Y168 WeakPolarHBondContact O-CD2 3.41Å; H164-Y168 PolarHBondContact O-N 3.36Å; H164-E409 WeakPolarHBondContact CB-OE1 3.16Å; H164-E409 IonicContact CG-OE1 2.74Å; H164-E409 IonicContact ND1-OE1 3.65Å; H164-E409 PolarHBondContact ND1-OE1 3.45Å; H164-E409 IonicContact ND1-OE2 2.67Å
165L91.6Very high82.3Confident13 Ų1341.1 Ų41.17%0.06823%0.227CC..Hα-helixtrans-53.1-50.6174.8-169.672.4000111A161 V162 R167 Y168 F169 F385 L389 I417A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 PolarHBondContact O-N 3.12Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 3.32Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.85Å; L165-Y168 PolarHBondContact O-N 3.42Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; L165-F169 HydrophobicContact CD1-CD2 4.49Å; L165-F169 HydrophobicContact CD1-CE2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 HydrophobicContact CG-CD2 4.13Å; L165-F169 HydrophobicContact CG-CE2 3.92Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.33Å; L165-F169 PolarHBondContact O-N 3.4Å; L165-F169 VanDerWaalsContact O-N 3.1Å; L165-F385 HydrophobicContact CD1-CB 4.04Å; L165-L389 HydrophobicContact CB-CD2 4.06Å; L165-L389 HydrophobicContact CD1-CD2 4.41Å; L165-L389 HydrophobicContact CD2-CD2 4.19Å; L165-L389 HydrophobicContact CG-CD2 4.46Å; L165-I417 HydrophobicContact CD1-CD1 3.33Å
166A93.3Very high84.3Confident3 Ų340.4 Ų40.43%0.02520%0.199CC..Hα-helixtrans-60.4-38.5177.800000113.2L116 L120 I146 V162 D163 H164 F169 A170L116-A166 HydrophobicContact CD1-CB 4.21Å; L116-A166 HydrophobicContact CD2-CB 3.43Å; L116-A166 VanDerWaalsContact CD2-CB 3.43Å; L116-A166 HydrophobicContact CG-CB 3.82Å; L120-A166 HydrophobicContact CD1-CB 3.88Å; I146-A166 HydrophobicContact CD1-CB 3.76Å; V162-A166 WeakPolarHBondContact O-CB 3.18Å; V162-A166 PolarHBondContact O-N 3.4Å; D163-A166 PolarHBondContact O-N 3.24Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 2.96Å; A166-F169 PolarHBondContact O-N 3.47Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å
167R92.2Very high86.3Confident37 Ų3739.6 Ų39.614%0.1419%0.187CC..Hα-helixtrans-62.2-43.4173.7-77.1-172.5-143.780-13.7112I146 P147 D163 H164 L165 F169 A170 Q171I146-R167 HydrophobicContact CD1-CG 3.87Å; I146-R167 HydrophobicContact CG2-CG 4Å; P147-R167 PolarHBondContact O-NH2 2.92Å; D163-R167 PolarHBondContact O-N 2.82Å; D163-R167 PolarHBondContact O-NH1 3.3Å; H164-R167 PolarHBondContact CD2-NH1 3.25Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.08Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.85Å; R167-F169 VanDerWaalsContact C-N 3.35Å; R167-F169 PolarHBondContact O-N 3.49Å; R167-A170 PolarHBondContact O-N 3.34Å; R167-Q171 WeakPolarHBondContact O-CB 3.45Å; R167-Q171 VanDerWaalsContact O-CG 3.31Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.83Å
168Y94.2Very high87.8Confident25 Ų2539.6 Ų39.610%0.09819%0.188CC..Hα-helixtrans-63-41.9178.4-60.7-48.3000112H164 L165 Q171 G172 E409 R410 G414 I417 Q418H164-Y168 HydrophobicContact CB-CE2 3.99Å; H164-Y168 WeakPolarHBondContact O-CD2 3.41Å; H164-Y168 PolarHBondContact O-N 3.36Å; L165-Y168 PolarHBondContact O-N 3.42Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; Y168-Q171 PolarHBondContact O-N 3.48Å; Y168-G172 PolarHBondContact O-N 2.96Å; Y168-E409 HydrophobicContact CE2-CG 3.99Å; Y168-R410 WeakPolarHBondContact OH-CA 3.28Å; Y168-G414 VanDerWaalsContact CD2-CA 3.48Å; Y168-G414 VanDerWaalsContact CG-CA 3.46Å; Y168-I417 HydrophobicContact CD2-CD1 4.23Å; Y168-Q418 WeakPolarHBondContact O-CG 3.31Å
169F96.3Very high88.6Confident0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-62.2-44172.7-84.1-79.6000112.3L120 L165 A166 R167 Q171 G172 L173 F378 A381 L382 F385 I417 V421L120-F169 HydrophobicContact CD1-CB 4.47Å; L120-F169 HydrophobicContact CD2-CB 3.87Å; L165-F169 HydrophobicContact CD1-CD2 4.49Å; L165-F169 HydrophobicContact CD1-CE2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 HydrophobicContact CG-CD2 4.13Å; L165-F169 HydrophobicContact CG-CE2 3.92Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.33Å; L165-F169 PolarHBondContact O-N 3.4Å; L165-F169 VanDerWaalsContact O-N 3.1Å; A166-F169 PolarHBondContact O-N 3.47Å; R167-F169 VanDerWaalsContact C-N 3.35Å; R167-F169 PolarHBondContact O-N 3.49Å; F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.07Å; F169-G172 PolarHBondContact O-N 2.86Å; F169-L173 WeakPolarHBondContact O-CG 3.17Å; F169-L173 PolarHBondContact O-N 3.37Å; F169-F378 HydrophobicContact CB-CE2 4.39Å; F169-F378 HydrophobicContact CB-CZ 4.03Å; F169-F378 HydrophobicContact CD1-CD2 4.27Å; F169-F378 HydrophobicContact CD1-CE1 4.26Å; F169-F378 AromaticContact CD1-CE2 3.58Å; F169-F378 HydrophobicContact CD1-CE2 3.58Å; F169-F378 AromaticContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CE1-CE2 4.38Å; F169-F378 HydrophobicContact CE1-CZ 4.43Å; F169-F378 HydrophobicContact CG-CE2 4.44Å; F169-F378 HydrophobicContact CG-CZ 4.14Å; F169-A381 HydrophobicContact CE1-CB 3.95Å; F169-A381 HydrophobicContact CZ-CB 4.24Å; F169-L382 HydrophobicContact CD2-CD1 3.89Å; F169-L382 HydrophobicContact CE1-CB 4.45Å; F169-L382 HydrophobicContact CE2-CD1 3.7Å; F169-L382 HydrophobicContact CG-CD1 4.44Å; F169-L382 VanDerWaalsContact CZ-CA 3.48Å; F169-L382 HydrophobicContact CZ-CB 4.2Å; F169-L382 HydrophobicContact CZ-CD1 4.08Å; F169-F385 HydrophobicContact CE2-CB 4.36Å; F169-F385 HydrophobicContact CZ-CB 4.32Å; F169-F385 AromaticContact CZ-CD2 3.86Å; F169-F385 HydrophobicContact CZ-CD2 3.86Å; F169-I417 HydrophobicContact CD1-CG2 3.97Å; F169-I417 HydrophobicContact CD2-CG2 3.75Å; F169-I417 HydrophobicContact CE1-CG2 4.03Å; F169-I417 HydrophobicContact CE2-CG2 3.8Å; F169-I417 HydrophobicContact CG-CG2 3.82Å; F169-I417 HydrophobicContact CZ-CG2 3.93Å; F169-V421 HydrophobicContact CD1-CG2 3.63Å; F169-V421 HydrophobicContact CE1-CG2 3.81Å
170A95.9Very high88.6Confident0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-63.4-37.7177.300000112.1L120 L139 I142 A166 R167 L173 R174L120-A170 HydrophobicContact CD2-CB 4.49Å; L139-A170 HydrophobicContact CD2-CB 3.76Å; I142-A170 HydrophobicContact CG2-CB 4.32Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å; R167-A170 PolarHBondContact O-N 3.34Å; A170-L173 PolarHBondContact O-N 2.83Å; A170-R174 WeakPolarHBondContact O-CG 3.28Å; A170-R174 PolarHBondContact O-N 2.94Å; A170-R174 VanDerWaalsContact O-N 3.08Å; A170-R174 PolarHBondContact O-NH1 3.49Å
171Q93.4Very high88Confident71 Ų7137.7 Ų37.733%0.33221%0.206SC..Hα-helixtrans-64.4-46.5172.7-74.5168.2-300111.3R167 Y168 F169 L173 R174 S175 Q418R167-Q171 WeakPolarHBondContact O-CB 3.45Å; R167-Q171 VanDerWaalsContact O-CG 3.31Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.83Å; Y168-Q171 PolarHBondContact O-N 3.48Å; F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.07Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3Å; Q171-R174 WeakPolarHBondContact O-CA 3.25Å; Q171-R174 WeakPolarHBondContact O-CB 3.15Å; Q171-R174 PolarHBondContact O-N 3.38Å; Q171-S175 PolarHBondContact O-N 2.7Å; Q171-S175 PolarHBondContact O-OG 3.11Å; Q171-Q418 HydrophobicContact CB-CG 3.95Å
172G93.4Very high87.1Confident0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-58.3-39.3174.400000113Y168 F169 S175 R176 V421 G422Y168-G172 PolarHBondContact O-N 2.96Å; F169-G172 PolarHBondContact O-N 2.86Å; G172-S175 PolarHBondContact O-N 3.12Å; G172-R176 WeakPolarHBondContact O-CB 3.37Å; G172-R176 PolarHBondContact O-N 3.02Å; G172-V421 VanDerWaalsContact C-CG1 3.5Å; G172-G422 VanDerWaalsContact O-CA 3.3Å; G172-G422 WeakPolarHBondContact O-CA 3.34Å
173L95.5Very high85.6Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-62.1-41.6172.9-72.7174.7000112A124 V127 L139 F169 A170 Q171 R176 M177 F374 F378 V421A124-L173 HydrophobicContact CB-CD2 4.08Å; V127-L173 HydrophobicContact CB-CD2 4.37Å; V127-L173 HydrophobicContact CG2-CD2 4.06Å; L139-L173 HydrophobicContact CD2-CB 4.21Å; L139-L173 HydrophobicContact CD2-CD1 4.15Å; F169-L173 WeakPolarHBondContact O-CG 3.17Å; F169-L173 PolarHBondContact O-N 3.37Å; A170-L173 PolarHBondContact O-N 2.83Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3Å; L173-R176 PolarHBondContact O-N 3.44Å; L173-M177 VanDerWaalsContact O-CG 3.25Å; L173-M177 WeakPolarHBondContact O-CG 3.48Å; L173-M177 PolarHBondContact O-N 3.37Å; L173-F374 HydrophobicContact CD2-CE1 3.87Å; L173-F374 HydrophobicContact CD2-CZ 3.82Å; L173-F378 HydrophobicContact CD1-CE2 3.97Å; L173-F378 HydrophobicContact CD1-CZ 3.99Å; L173-F378 HydrophobicContact CD2-CD2 4.07Å; L173-F378 HydrophobicContact CD2-CE2 3.67Å; L173-F378 HydrophobicContact CD2-CZ 4.44Å; L173-F378 HydrophobicContact CG-CE2 3.73Å; L173-F378 HydrophobicContact CG-CZ 4.27Å; L173-V421 HydrophobicContact CD2-CG1 4.13Å; L173-V421 HydrophobicContact CG-CG1 4.27Å
174R94Very high83.7Confident81 Ų8146.7 Ų46.731%0.30625%0.246SC..Hα-helixtrans-63.8-46.4176.4-70.5177.8-173.499.5-4.8112L139 D143 A170 Q171 R176 M177 S178L139-R174 HydrophobicContact CD1-CG 3.77Å; D143-R174 IonicContact OD1-CZ 3.45Å; D143-R174 IonicContact OD1-NH2 3.05Å; D143-R174 PolarHBondContact OD1-NH2 3.27Å; D143-R174 IonicContact OD2-CZ 3.38Å; D143-R174 IonicContact OD2-NH2 3.93Å; D143-R174 PolarHBondContact OD2-NH2 3.36Å; A170-R174 WeakPolarHBondContact O-CG 3.28Å; A170-R174 PolarHBondContact O-N 2.94Å; A170-R174 VanDerWaalsContact O-N 3.08Å; A170-R174 PolarHBondContact O-NH1 3.49Å; Q171-R174 WeakPolarHBondContact O-CA 3.25Å; Q171-R174 WeakPolarHBondContact O-CB 3.15Å; Q171-R174 PolarHBondContact O-N 3.38Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.03Å; R174-M177 WeakPolarHBondContact O-CB 3.35Å; R174-M177 PolarHBondContact O-N 2.89Å; R174-M177 VanDerWaalsContact O-N 3.08Å; R174-S178 PolarHBondContact O-N 3.44Å
175S90.3Very high81.6Confident37 Ų3749.7 Ų49.726%0.25928%0.276SS..Hα-helixtrans-59.6-38.4175.7-57.80000111.8Q171 G172 S178 G179 E180Q171-S175 PolarHBondContact O-N 2.7Å; Q171-S175 PolarHBondContact O-OG 3.11Å; G172-S175 PolarHBondContact O-N 3.12Å; S175-S178 PolarHBondContact O-OG 2.87Å; S175-S178 VanDerWaalsContact O-OG 3.07Å; S175-G179 PolarHBondContact O-N 2.98Å; S175-E180 PolarHBondContact O-N 3.05Å
176R89.5Confident79.3Confident65 Ų6553.9 Ų53.925%0.24530%0.298CS..Hα-helixtrans-65.3-41.9173.6-174171.4-174.173.5-0.5112.3V127 G172 L173 R174 G179 F374 Y424V127-R176 HydrophobicContact CG1-CB 4.33Å; V127-R176 HydrophobicContact CG1-CG 3.83Å; G172-R176 WeakPolarHBondContact O-CB 3.37Å; G172-R176 PolarHBondContact O-N 3.02Å; L173-R176 PolarHBondContact O-N 3.44Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.03Å; R176-G179 PolarHBondContact O-N 3.45Å; R176-F374 VanDerWaalsContact CD-CE2 3.47Å; R176-Y424 PolarHBondContact NH1-O 3.43Å
177M90.5Very high77.1Confident57 Ų5757.2 Ų57.228%0.28133%0.326SS..Hα-helixtrans-66.1-37.2178.7-74.1171.364.500112.8V127 A135 L139 L173 R174 G179V127-M177 HydrophobicContact CB-CG 4.41Å; V127-M177 HydrophobicContact CG1-CG 4.09Å; V127-M177 HydrophobicContact CG2-CG 3.5Å; V127-M177 VanDerWaalsContact CG2-CG 3.5Å; V127-M177 HydrophobicContact CG2-SD 3.71Å; A135-M177 HydrophobicContact CB-CE 3.79Å; A135-M177 HydrophobicContact CB-SD 3.74Å; L139-M177 HydrophobicContact CD1-SD 3.62Å; L173-M177 VanDerWaalsContact O-CG 3.25Å; L173-M177 WeakPolarHBondContact O-CG 3.48Å; L173-M177 PolarHBondContact O-N 3.37Å; R174-M177 WeakPolarHBondContact O-CB 3.35Å; R174-M177 PolarHBondContact O-N 2.89Å; R174-M177 VanDerWaalsContact O-N 3.08Å; M177-G179 PolarHBondContact O-N 3.41Å
178S87.6Confident75.2Confident66 Ų6658.1 Ų58.146%0.46234%0.337SS..Hα-helixtrans-72.4-14.6177.964.40000113R174 S175 E180R174-S178 PolarHBondContact O-N 3.44Å; S175-S178 PolarHBondContact O-OG 2.87Å; S175-S178 VanDerWaalsContact O-OG 3.07Å; S178-E180 WeakPolarHBondContact CB-OE1 3.21Å; S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact OG-CG 3.29Å; S178-E180 WeakPolarHBondContact OG-CG 3.36Å; S178-E180 PolarHBondContact OG-OE1 3.45Å
179G78.4Confident73.3Confident55 Ų5560 Ų6057%0.56736%0.358SS*.THydrogen-bonded Turntrans72.519.3-176.600000112.7S175 R176 M177 C181S175-G179 PolarHBondContact O-N 2.98Å; R176-G179 PolarHBondContact O-N 3.45Å; M177-G179 PolarHBondContact O-N 3.41Å; G179-C181 PolarHBondContact O-N 3.19Å
180E67.9Low71.3Confident132 Ų13265.4 Ų65.462%0.61739%0.393SS*.  trans-69.374.6173.7-76.9165.6-131.900110.3S175 S178 R182S175-E180 PolarHBondContact O-N 3.05Å; S178-E180 WeakPolarHBondContact CB-OE1 3.21Å; S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact OG-CG 3.29Å; S178-E180 WeakPolarHBondContact OG-CG 3.36Å; S178-E180 PolarHBondContact OG-OE1 3.45Å; E180-R182 PolarHBondContact O-N 2.97Å
181C64.2Low70.1Confident69 Ų6968.4 Ų68.447%0.46641%0.408SS..  trans-73.799.8164.9-100.60000108.4G179 P183 C426G179-C181 PolarHBondContact O-N 3.19Å; C181-P183 WeakPolarHBondContact O-CD 3.48Å; C181-C426 WeakPolarHBondContact CA-SG 2.91Å; C181-C426 HydrophobicContact CB-CB 4.32Å; C181-C426 WeakPolarHBondContact CB-SG 3.35Å; C181-C426 WeakPolarHBondContact SG-CB 3.25Å; C181-C426 CovalentContact SG-SG 2.01Å; C181-C426 PolarHBondContact SG-SG 3.32Å
182R60.8Low69.3Low139 Ų13967.1 Ų67.153%0.52541%0.414SS..  trans-65.4122.2163.9-78.3-178.970.799.10.9107.9E180 T184E180-R182 PolarHBondContact O-N 2.97Å; R182-T184 PolarHBondContact O-N 3.19Å
183P51Low68.8Low73 Ų7377.2 Ų77.247%0.47445%0.452SS..  trans-62.2125.8169.9-8.921.8000108.2C181 A185 D186C181-P183 WeakPolarHBondContact O-CD 3.48Å; P183-A185 PolarHBondContact O-N 2.92Å; P183-D186 PolarHBondContact O-N 2.94Å; P183-D186 VanDerWaalsContact O-N 3.16Å
184T48.9Very low68.2Low28 Ų2879.4 Ų79.417%0.17246%0.461CS..THydrogen-bonded Turntrans-64.3-6.5174670000113.1R182 S334 G428R182-T184 PolarHBondContact O-N 3.19Å; T184-S334 PolarHBondContact OG1-OG 2.89Å; T184-G428 WeakPolarHBondContact CG2-O 3.45Å
185A44.1Very low67.8Low92 Ų9278.3 Ų78.376%0.7646%0.457SS*.THydrogen-bonded Turntrans-76.1-23.6176.300000112.6P183 A187P183-A185 PolarHBondContact O-N 2.92Å; A185-A187 PolarHBondContact O-N 3.32Å
186D43.7Very low67.5Low101 Ų10181 Ų8154%0.5447%0.467SS..SBendtrans-74.3119.6168.8-67-29.6000106.7P183P183-D186 PolarHBondContact O-N 2.94Å; P183-D186 VanDerWaalsContact O-N 3.16Å
187A46.6Very low67.4Low73 Ų7378.1 Ų78.160%0.60346%0.457SS*.  trans-45.7131171.300000108A185 A189A185-A187 PolarHBondContact O-N 3.32Å; A187-A189 PolarHBondContact O-N 2.89Å
188P52.2Low67.3Low57 Ų5775.4 Ų75.437%0.3744%0.443SS..PPolyproline II helixtrans-49.9136172.820.1-29.6000107.3
189A55Low67.3Low65 Ų6574.1 Ų74.154%0.53743%0.432SS..PPolyproline II helixtrans-48.7140.4178.800000108.5A187 L191A187-A189 PolarHBondContact O-N 2.89Å; A189-L191 PolarHBondContact O-N 2.82Å; A189-L191 VanDerWaalsContact O-N 3.08Å
190P54.9Low67.7Low112 Ų11273.7 Ų73.773%0.72741%0.413SS*.PPolyproline II helixtrans-46.2123.6-177.2-28.533.1000110.2G192P190-G192 PolarHBondContact O-N 3.47Å; P190-G192 VanDerWaalsContact O-N 3.1Å
191L69.3Low68.8Low64 Ų6467.4 Ų67.434%0.33538%0.383SS..PPolyproline II helixtrans-63.3117.8-176-63.6166.9000108A189 W195 M196A189-L191 PolarHBondContact O-N 2.82Å; A189-L191 VanDerWaalsContact O-N 3.08Å; L191-W195 HydrophobicContact CB-CB 4.35Å; L191-W195 HydrophobicContact CB-CD2 3.8Å; L191-W195 HydrophobicContact CB-CE3 3.44Å; L191-W195 VanDerWaalsContact CB-CE3 3.44Å; L191-W195 HydrophobicContact CB-CG 4.19Å; L191-W195 HydrophobicContact CB-CZ3 4.06Å; L191-W195 HydrophobicContact CD1-CD2 3.82Å; L191-W195 HydrophobicContact CD1-CE3 3.58Å; L191-W195 HydrophobicContact CD1-CH2 3.55Å; L191-W195 HydrophobicContact CD1-CZ2 3.79Å; L191-W195 HydrophobicContact CD1-CZ3 3.43Å; L191-W195 VanDerWaalsContact CD1-CZ3 3.43Å; L191-W195 HydrophobicContact CD2-CD2 3.92Å; L191-W195 HydrophobicContact CD2-CE3 4.36Å; L191-W195 HydrophobicContact CD2-CG 4.03Å; L191-W195 HydrophobicContact CG-CD2 4.04Å; L191-W195 HydrophobicContact CG-CE3 3.96Å; L191-W195 HydrophobicContact CG-CZ3 4.3Å; L191-M196 WeakPolarHBondContact O-CE 3.49Å
192G78Confident70.1Confident43 Ų4366 Ų6644%0.44337%0.371SS..PPolyproline II helixtrans-69.8168.3-172.800000113P190 K194 W195 M196P190-G192 PolarHBondContact O-N 3.47Å; P190-G192 VanDerWaalsContact O-N 3.1Å; G192-K194 PolarHBondContact O-N 2.91Å; G192-K194 VanDerWaalsContact O-N 3.13Å; G192-W195 PolarHBondContact O-N 2.94Å; G192-M196 PolarHBondContact O-N 3.49Å; G192-M196 VanDerWaalsContact O-N 3.16Å
193R82Confident71.4Confident212 Ų21261.3 Ų61.380%0.836%0.355SS*.Hα-helixtrans-48.5-39.7175.5-75.8-180162.3156.2-6.9113.6M196 A197R193-M196 HydrophobicContact CG-CE 4.44Å; R193-M196 PolarHBondContact O-N 2.79Å; R193-A197 PolarHBondContact O-N 2.75Å; R193-A197 VanDerWaalsContact O-N 3.09Å
194K84.3Confident73.1Confident46 Ų4659.1 Ų59.120%0.234%0.339CS..Hα-helixtrans-64.3-42.1179.1-64.5-174.3179.2179.60112.8L71 D75 G192 A197 A198 E411L71-K194 HydrophobicContact CB-CG 4.46Å; L71-K194 HydrophobicContact CD2-CG 4.16Å; D75-K194 IonicContact OD1-NZ 3.61Å; D75-K194 PolarHBondContact OD1-NZ 2.86Å; G192-K194 PolarHBondContact O-N 2.91Å; G192-K194 VanDerWaalsContact O-N 3.13Å; K194-A197 PolarHBondContact O-N 2.81Å; K194-A198 WeakPolarHBondContact O-CB 3.11Å; K194-A198 PolarHBondContact O-N 2.93Å; K194-E411 HydrophobicContact CB-CG 3.9Å; K194-E411 WeakPolarHBondContact CB-OE2 3.29Å; K194-E411 WeakPolarHBondContact CD-OE1 3.43Å
195W85.5Confident75.1Confident58 Ų5858.7 Ų58.722%0.2234%0.335CS..Hα-helixtrans-65.9-43.3176.6179.986.7000111.4L191 G192 A197 A198 D199L191-W195 HydrophobicContact CB-CB 4.35Å; L191-W195 HydrophobicContact CB-CD2 3.8Å; L191-W195 HydrophobicContact CB-CE3 3.44Å; L191-W195 VanDerWaalsContact CB-CE3 3.44Å; L191-W195 HydrophobicContact CB-CG 4.19Å; L191-W195 HydrophobicContact CB-CZ3 4.06Å; L191-W195 HydrophobicContact CD1-CD2 3.82Å; L191-W195 HydrophobicContact CD1-CE3 3.58Å; L191-W195 HydrophobicContact CD1-CH2 3.55Å; L191-W195 HydrophobicContact CD1-CZ2 3.79Å; L191-W195 HydrophobicContact CD1-CZ3 3.43Å; L191-W195 VanDerWaalsContact CD1-CZ3 3.43Å; L191-W195 HydrophobicContact CD2-CD2 3.92Å; L191-W195 HydrophobicContact CD2-CE3 4.36Å; L191-W195 HydrophobicContact CD2-CG 4.03Å; L191-W195 HydrophobicContact CG-CD2 4.04Å; L191-W195 HydrophobicContact CG-CE3 3.96Å; L191-W195 HydrophobicContact CG-CZ3 4.3Å; G192-W195 PolarHBondContact O-N 2.94Å; W195-A197 VanDerWaalsContact C-N 3.31Å; W195-A197 PolarHBondContact O-N 3.21Å; W195-A198 WeakPolarHBondContact O-CB 3.41Å; W195-A198 PolarHBondContact O-N 3.31Å; W195-D199 HydrophobicContact CE3-CB 4.44Å; W195-D199 HydrophobicContact CH2-CB 4.12Å; W195-D199 HydrophobicContact CZ2-CB 4.18Å; W195-D199 HydrophobicContact CZ3-CB 4.25Å; W195-D199 WeakPolarHBondContact O-CB 3.45Å; W195-D199 PolarHBondContact O-N 3.05Å
196M84Confident77.4Confident95 Ų9554.3 Ų54.347%0.46830%0.299SS..Hα-helixtrans-59.9-41.9177.3-72.9-176.4-9800112.1L191 G192 R193 R200L191-M196 WeakPolarHBondContact O-CE 3.49Å; G192-M196 PolarHBondContact O-N 3.49Å; G192-M196 VanDerWaalsContact O-N 3.16Å; R193-M196 HydrophobicContact CG-CE 4.44Å; R193-M196 PolarHBondContact O-N 2.79Å; M196-R200 WeakPolarHBondContact O-CB 3.4Å; M196-R200 PolarHBondContact O-N 2.68Å
197A86.4Confident79.8Confident3 Ų349.5 Ų49.53%0.02527%0.273CS..Hα-helixtrans-64.5-44.5174.900000111.8E67 L71 R193 K194 W195 R200 I201 L407E67-A197 HydrophobicContact CG-CB 4.31Å; L71-A197 HydrophobicContact CD1-CB 3.46Å; L71-A197 VanDerWaalsContact CD1-CB 3.46Å; R193-A197 PolarHBondContact O-N 2.75Å; R193-A197 VanDerWaalsContact O-N 3.09Å; K194-A197 PolarHBondContact O-N 2.81Å; W195-A197 VanDerWaalsContact C-N 3.31Å; W195-A197 PolarHBondContact O-N 3.21Å; A197-R200 PolarHBondContact O-N 2.83Å; A197-I201 WeakPolarHBondContact O-CB 3.25Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.43Å; A197-I201 PolarHBondContact O-N 3.33Å; A197-L407 HydrophobicContact CB-CD2 4.07Å
198A89.3Confident82.2Confident0 Ų047.5 Ų47.50%025%0.251CS..Hα-helixtrans-60.4-45.6176.200000112.5K194 W195 I201 L202 L407 V408 E411K194-A198 WeakPolarHBondContact O-CB 3.11Å; K194-A198 PolarHBondContact O-N 2.93Å; W195-A198 WeakPolarHBondContact O-CB 3.41Å; W195-A198 PolarHBondContact O-N 3.31Å; A198-I201 PolarHBondContact O-N 2.86Å; A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 PolarHBondContact O-N 2.93Å; A198-L407 HydrophobicContact CB-CG 4.29Å; A198-V408 HydrophobicContact CB-CG2 4.47Å; A198-E411 HydrophobicContact CB-CB 3.83Å
199D87Confident84.2Confident40 Ų4045.6 Ų45.621%0.21424%0.24CC..Hα-helixtrans-61.9-45.3177.3-178.253.9000111.1W195 I201 L202 Q203W195-D199 HydrophobicContact CE3-CB 4.44Å; W195-D199 HydrophobicContact CH2-CB 4.12Å; W195-D199 HydrophobicContact CZ2-CB 4.18Å; W195-D199 HydrophobicContact CZ3-CB 4.25Å; W195-D199 WeakPolarHBondContact O-CB 3.45Å; W195-D199 PolarHBondContact O-N 3.05Å; D199-I201 PolarHBondContact O-N 3.04Å; D199-L202 WeakPolarHBondContact O-CB 3.37Å; D199-L202 PolarHBondContact O-N 3.48Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.35Å; D199-Q203 PolarHBondContact O-N 2.92Å; D199-Q203 PolarHBondContact OD1-NE2 3.22Å; D199-Q203 PolarHBondContact OD2-NE2 3.37Å
200R87.3Confident86.1Confident46 Ų4643.9 Ų43.917%0.17422%0.22CC..Hα-helixtrans-58.9-48174.7-174.4-178.3-177.3169.64.9112.2S23 L64 M196 A197 L202 Q203 E204S23-R200 PolarHBondContact O-NH2 2.88Å; L64-R200 HydrophobicContact CD2-CG 4.4Å; M196-R200 WeakPolarHBondContact O-CB 3.4Å; M196-R200 PolarHBondContact O-N 2.68Å; A197-R200 PolarHBondContact O-N 2.83Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-L202 PolarHBondContact O-N 2.8Å; R200-Q203 PolarHBondContact O-N 2.91Å; R200-E204 WeakPolarHBondContact O-CG 3.31Å; R200-E204 PolarHBondContact O-N 3.13Å
201I90.2Very high88.1Confident0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-58.9-45.5177.2-73.9168.4000110.6L64 A68 A197 A198 D199 E204 L205 F396 C404 L407 V408L64-I201 HydrophobicContact CB-CG1 4.3Å; L64-I201 HydrophobicContact CD2-CG1 3.99Å; A68-I201 HydrophobicContact CB-CD1 4.1Å; A197-I201 WeakPolarHBondContact O-CB 3.25Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.43Å; A197-I201 PolarHBondContact O-N 3.33Å; A198-I201 PolarHBondContact O-N 2.86Å; D199-I201 PolarHBondContact O-N 3.04Å; I201-E204 PolarHBondContact O-N 3.02Å; I201-L205 HydrophobicContact CG2-CD1 4.22Å; I201-L205 WeakPolarHBondContact O-CB 2.91Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.11Å; I201-F396 HydrophobicContact CG2-CE1 3.53Å; I201-F396 HydrophobicContact CG2-CZ 3.97Å; I201-C404 HydrophobicContact CD1-CB 4.37Å; I201-C404 HydrophobicContact CG2-CB 3.78Å; I201-L407 HydrophobicContact CD1-CD2 4.01Å; I201-V408 HydrophobicContact CB-CG2 4.1Å; I201-V408 HydrophobicContact CG2-CG2 3.61Å
202L90.6Very high89.4Confident39 Ų3935.7 Ų35.720%0.20417%0.171CC..Hα-helixtrans-60.4-47.4178.1178.265.4000110.8A198 D199 R200 E204 S206 F208 L392 V408A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 PolarHBondContact O-N 2.93Å; D199-L202 WeakPolarHBondContact O-CB 3.37Å; D199-L202 PolarHBondContact O-N 3.48Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-L202 PolarHBondContact O-N 2.8Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.23Å; L202-S206 WeakPolarHBondContact CD1-OG 3.39Å; L202-S206 VanDerWaalsContact O-CB 3.29Å; L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-S206 VanDerWaalsContact O-N 3.11Å; L202-S206 PolarHBondContact O-OG 2.9Å; L202-F208 HydrophobicContact CD1-CD2 4.24Å; L202-L392 HydrophobicContact CD1-CD2 3.38Å; L202-V408 HydrophobicContact CB-CG1 4.4Å; L202-V408 HydrophobicContact CB-CG2 4.39Å; L202-V408 HydrophobicContact CD1-CG1 4.17Å
203Q89.9Confident90.3Very high41 Ų4134.6 Ų34.619%0.19215%0.154CC..Hα-helixtrans-60.7-42.8179-71-178.725.800112W27 D199 R200 A209 K210W27-Q203 HydrophobicContact CH2-CB 3.85Å; W27-Q203 WeakPolarHBondContact CH2-O 3.37Å; W27-Q203 VanDerWaalsContact CZ2-C 3.45Å; W27-Q203 HydrophobicContact CZ2-CB 3.86Å; W27-Q203 WeakPolarHBondContact CZ2-O 3.44Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.35Å; D199-Q203 PolarHBondContact O-N 2.92Å; D199-Q203 PolarHBondContact OD1-NE2 3.22Å; D199-Q203 PolarHBondContact OD2-NE2 3.37Å; R200-Q203 PolarHBondContact O-N 2.91Å; Q203-A209 HydrophobicContact CB-CB 4.23Å; Q203-A209 HydrophobicContact CG-CB 3.73Å; Q203-K210 WeakPolarHBondContact O-CE 3.25Å
204E86.7Confident90.9Very high27 Ų2725.8 Ų25.813%0.12612%0.122CC..Hα-helixtrans-71.7-45.5-178-69.9-57.816200112.9W27 L64 R200 I201 L202 K210W27-E204 PolarHBondContact NE1-OE1 3.43Å; W27-E204 PolarHBondContact NE1-OE2 2.86Å; L64-E204 HydrophobicContact CD1-CB 4.17Å; L64-E204 HydrophobicContact CD1-CG 4.32Å; R200-E204 WeakPolarHBondContact O-CG 3.31Å; R200-E204 PolarHBondContact O-N 3.13Å; I201-E204 PolarHBondContact O-N 3.02Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.23Å; E204-K210 WeakPolarHBondContact O-CE 3.38Å; E204-K210 IonicContact OE2-NZ 3.76Å
205L89Confident91.6Very high18 Ų1823.6 Ų23.69%0.09411%0.112CC..Hα-helixtrans-96.4-5.2-166.3-54.3-167.6000114M61 I201 C395 F396M61-L205 HydrophobicContact CE-CD1 3.6Å; M61-L205 HydrophobicContact CE-CD2 3.34Å; M61-L205 HydrophobicContact CE-CG 4.14Å; M61-L205 HydrophobicContact SD-CD1 4.49Å; M61-L205 HydrophobicContact SD-CD2 3.34Å; M61-L205 WeakPolarHBondContact SD-CD2 3.34Å; I201-L205 HydrophobicContact CG2-CD1 4.22Å; I201-L205 WeakPolarHBondContact O-CB 2.91Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.11Å; L205-C395 VanDerWaalsContact O-CB 3.25Å; L205-C395 WeakPolarHBondContact O-CB 3Å; L205-F396 HydrophobicContact CB-CD1 4.28Å; L205-F396 HydrophobicContact CB-CE1 3.71Å; L205-F396 HydrophobicContact CB-CZ 3.99Å; L205-F396 HydrophobicContact CD1-CD1 3.8Å; L205-F396 HydrophobicContact CD1-CE1 3.54Å; L205-F396 HydrophobicContact CG-CE1 4.12Å
206S92.4Very high92.1Very high0 Ų020.9 Ų20.90%010%0.102CC..SBendtrans-128.1159.1-179.382.80000112.6L202 F208L202-S206 WeakPolarHBondContact CD1-OG 3.39Å; L202-S206 VanDerWaalsContact O-CB 3.29Å; L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-S206 VanDerWaalsContact O-N 3.11Å; L202-S206 PolarHBondContact O-OG 2.9Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 WeakPolarHBondContact OG-CD2 3.37Å
207P95.5Very high92.7Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-79.2-8.8179.926.8-30.8000114.6A209 K210 F211 F461 F464 L475P207-A209 PolarHBondContact O-N 2.84Å; P207-K210 PolarHBondContact O-N 2.88Å; P207-F211 WeakPolarHBondContact O-CB 3.42Å; P207-F211 PolarHBondContact O-N 2.93Å; P207-F461 HydrophobicContact CB-CD2 3.66Å; P207-F461 HydrophobicContact CB-CE2 3.77Å; P207-F461 HydrophobicContact CB-CG 4.08Å; P207-F461 HydrophobicContact CB-CZ 4.27Å; P207-F461 HydrophobicContact CG-CB 4.25Å; P207-F461 HydrophobicContact CG-CD1 4.28Å; P207-F461 HydrophobicContact CG-CD2 4.04Å; P207-F461 HydrophobicContact CG-CE2 4.47Å; P207-F461 HydrophobicContact CG-CG 3.94Å; P207-F464 HydrophobicContact CG-CD1 3.62Å; P207-F464 HydrophobicContact CG-CD2 3.95Å; P207-F464 HydrophobicContact CG-CE1 3.41Å; P207-F464 VanDerWaalsContact CG-CE1 3.41Å; P207-F464 HydrophobicContact CG-CE2 3.76Å; P207-F464 HydrophobicContact CG-CG 3.86Å; P207-F464 HydrophobicContact CG-CZ 3.45Å; P207-F464 VanDerWaalsContact CG-CZ 3.45Å; P207-L475 HydrophobicContact CB-CD1 4.49Å; P207-L475 HydrophobicContact CB-CD2 4.09Å; P207-L475 HydrophobicContact CG-CD2 4.01Å
208F95.9Very high93.2Very high32 Ų3217.4 Ų17.414%0.148%0.084CC..Hα-helixtrans-56.9-58.6-167.8-69.6-76.4000112.9L202 S206 F211 A212 V388 S391 L392 F464 L475 L482 T483L202-F208 HydrophobicContact CD1-CD2 4.24Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 WeakPolarHBondContact OG-CD2 3.37Å; F208-F211 PolarHBondContact O-N 2.83Å; F208-A212 WeakPolarHBondContact O-CB 3.38Å; F208-A212 PolarHBondContact O-N 3.38Å; F208-A212 VanDerWaalsContact O-N 3.08Å; F208-V388 HydrophobicContact CZ-CG1 4.47Å; F208-S391 WeakPolarHBondContact CZ-OG 3.36Å; F208-L392 HydrophobicContact CD2-CD2 4.27Å; F208-L392 HydrophobicContact CE2-CD2 3.77Å; F208-L392 HydrophobicContact CE2-CG 4.43Å; F208-F464 HydrophobicContact CE2-CZ 4.48Å; F208-F464 HydrophobicContact CZ-CE1 4.26Å; F208-L475 HydrophobicContact CD1-CD2 4.02Å; F208-L475 HydrophobicContact CE1-CD2 4.36Å; F208-L482 HydrophobicContact CE1-CB 3.91Å; F208-L482 HydrophobicContact CE1-CD1 3.74Å; F208-L482 HydrophobicContact CZ-CD1 3.73Å; F208-T483 HydrophobicContact CD1-CG2 3.89Å
209A94Very high93.5Very high16 Ų1617.4 Ų17.413%0.1328%0.084CC..Hα-helixtrans-68.2-42-179.800000112.2W27 Q203 P207 F211 A212 H213W27-A209 HydrophobicContact CH2-CB 4.12Å; W27-A209 HydrophobicContact CZ3-CB 4.45Å; Q203-A209 HydrophobicContact CB-CB 4.23Å; Q203-A209 HydrophobicContact CG-CB 3.73Å; P207-A209 PolarHBondContact O-N 2.84Å; A209-F211 VanDerWaalsContact C-N 3.3Å; A209-F211 PolarHBondContact O-N 2.95Å; A209-A212 PolarHBondContact O-N 2.59Å; A209-H213 VanDerWaalsContact O-CB 3.28Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-CD2 2.94Å; A209-H213 PolarHBondContact O-N 2.72Å; A209-H213 PolarHBondContact O-ND1 2.85Å
210K95Very high93.9Very high30 Ų3015.5 Ų15.513%0.137%0.074CC..Hα-helixtrans-57.2-45.3177.1-65.6178.2-156.7-66.70111.1W27 Q203 E204 P207 F214 L457W27-K210 HydrophobicContact CD2-CG 4.39Å; W27-K210 HydrophobicContact CE3-CG 3.73Å; W27-K210 HydrophobicContact CH2-CD 4.32Å; W27-K210 HydrophobicContact CH2-CG 3.4Å; W27-K210 VanDerWaalsContact CH2-CG 3.4Å; W27-K210 HydrophobicContact CZ2-CG 4.1Å; W27-K210 HydrophobicContact CZ3-CB 4.08Å; W27-K210 HydrophobicContact CZ3-CD 4.36Å; W27-K210 HydrophobicContact CZ3-CG 3.2Å; Q203-K210 WeakPolarHBondContact O-CE 3.25Å; E204-K210 WeakPolarHBondContact O-CE 3.38Å; E204-K210 IonicContact OE2-NZ 3.76Å; P207-K210 PolarHBondContact O-N 2.88Å; K210-F214 HydrophobicContact CB-CD2 4.4Å; K210-F214 HydrophobicContact CB-CE2 4.1Å; K210-F214 VanDerWaalsContact O-CB 3.3Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 VanDerWaalsContact O-CD2 3.3Å; K210-F214 WeakPolarHBondContact O-CD2 3.39Å; K210-F214 WeakPolarHBondContact O-CG 3.32Å; K210-F214 PolarHBondContact O-N 2.88Å; K210-L457 HydrophobicContact CB-CD1 4.08Å; K210-L457 HydrophobicContact CB-CD2 3.83Å; K210-L457 HydrophobicContact CD-CD1 4.38Å
211F97.4Very high94.3Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-64.5-49.2179.3173.5-92.2000111.4P207 F208 A209 T215 L457 V466 L473 L475 T483 V485P207-F211 WeakPolarHBondContact O-CB 3.42Å; P207-F211 PolarHBondContact O-N 2.93Å; F208-F211 PolarHBondContact O-N 2.83Å; A209-F211 VanDerWaalsContact C-N 3.3Å; A209-F211 PolarHBondContact O-N 2.95Å; F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 2.95Å; F211-T215 VanDerWaalsContact O-N 3.07Å; F211-T215 PolarHBondContact O-OG1 2.84Å; F211-L457 HydrophobicContact CB-CD2 3.8Å; F211-L457 VanDerWaalsContact N-CD2 3.32Å; F211-V466 HydrophobicContact CD2-CG2 4.37Å; F211-V466 HydrophobicContact CE2-CG1 4.24Å; F211-V466 HydrophobicContact CE2-CG2 3.77Å; F211-L473 HydrophobicContact CE2-CD2 4.1Å; F211-L473 HydrophobicContact CE2-CG 4.15Å; F211-L473 HydrophobicContact CZ-CB 4.26Å; F211-L473 HydrophobicContact CZ-CD2 4.16Å; F211-L473 HydrophobicContact CZ-CG 3.85Å; F211-L475 HydrophobicContact CB-CB 4.46Å; F211-L475 HydrophobicContact CB-CD1 4.4Å; F211-L475 HydrophobicContact CB-CD2 4.1Å; F211-L475 HydrophobicContact CD1-CB 3.6Å; F211-L475 HydrophobicContact CD2-CB 4.06Å; F211-L475 HydrophobicContact CD2-CD1 4.03Å; F211-L475 HydrophobicContact CE1-CB 3.73Å; F211-L475 HydrophobicContact CE2-CB 4.17Å; F211-L475 HydrophobicContact CG-CB 3.76Å; F211-L475 HydrophobicContact CG-CD1 4.18Å; F211-L475 HydrophobicContact CG-CD2 4.29Å; F211-L475 HydrophobicContact CG-CG 4.3Å; F211-L475 HydrophobicContact CZ-CB 4.01Å; F211-L475 VanDerWaalsContact CZ-N 3.32Å; F211-T483 HydrophobicContact CD1-CG2 4.19Å; F211-V485 HydrophobicContact CE1-CG2 4.24Å
212A96.8Very high94.5Very high3 Ų317.6 Ų17.63%0.0259%0.087CC..Hα-helixtrans-58.6-53.3178.700000111.2F208 A209 A216 T355 V485F208-A212 WeakPolarHBondContact O-CB 3.38Å; F208-A212 PolarHBondContact O-N 3.38Å; F208-A212 VanDerWaalsContact O-N 3.08Å; A209-A212 PolarHBondContact O-N 2.59Å; A212-A216 WeakPolarHBondContact O-CB 3.22Å; A212-A216 PolarHBondContact O-N 2.91Å; A212-T355 HydrophobicContact CB-CG2 3.66Å; A212-V485 HydrophobicContact CB-CG2 4.45Å
213H96.2Very high94.7Very high20 Ų2016.3 Ų16.39%0.0938%0.083CC..Hα-helixtrans-63.4-50.2-176.5-62.2166000112.4A209 A216 N217 Q242A209-H213 VanDerWaalsContact O-CB 3.28Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-CD2 2.94Å; A209-H213 PolarHBondContact O-N 2.72Å; A209-H213 PolarHBondContact O-ND1 2.85Å; H213-A216 PolarHBondContact O-N 3.49Å; H213-N217 WeakPolarHBondContact O-CB 3.29Å; H213-N217 PolarHBondContact O-N 3.15Å; H213-N217 PolarHBondContact O-ND2 2.79Å; H213-N217 PolarHBondContact O-OD1 2.83Å; H213-Q242 HydrophobicContact CB-CB 4.14Å; H213-Q242 HydrophobicContact CB-CG 3.95Å
214F96.2Very high94.8Very high27 Ų2714.4 Ų14.412%0.1187%0.074CC..Hα-helixtrans-68.6-40.4-176.3-62.1-20.5000111.9W27 P29 K210 A216 N217 Q218 Q453 L457W27-F214 HydrophobicContact CE3-CZ 4.35Å; P29-F214 HydrophobicContact CB-CE1 4.02Å; P29-F214 HydrophobicContact CB-CE2 4.43Å; P29-F214 HydrophobicContact CB-CZ 3.95Å; P29-F214 HydrophobicContact CG-CE1 4.29Å; K210-F214 HydrophobicContact CB-CD2 4.4Å; K210-F214 HydrophobicContact CB-CE2 4.1Å; K210-F214 VanDerWaalsContact O-CB 3.3Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 VanDerWaalsContact O-CD2 3.3Å; K210-F214 WeakPolarHBondContact O-CD2 3.39Å; K210-F214 WeakPolarHBondContact O-CG 3.32Å; K210-F214 PolarHBondContact O-N 2.88Å; F214-A216 PolarHBondContact O-N 2.92Å; F214-N217 PolarHBondContact O-N 3.49Å; F214-Q218 VanDerWaalsContact O-CB 3.3Å; F214-Q218 WeakPolarHBondContact O-CB 3.27Å; F214-Q218 PolarHBondContact O-N 3.01Å; F214-Q453 PolarHBondContact O-OE1 3.45Å; F214-L457 HydrophobicContact CD2-CD2 4.26Å
215T97.4Very high95.1Very high1 Ų115.9 Ų15.91%0.0069%0.091CC..Hα-helixtrans-63.9-43.6175.8-54.20000111.1F211 A219 L473 V485F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 2.95Å; F211-T215 VanDerWaalsContact O-N 3.07Å; F211-T215 PolarHBondContact O-OG1 2.84Å; T215-A219 PolarHBondContact O-N 3.22Å; T215-A219 VanDerWaalsContact O-N 3.15Å; T215-L473 HydrophobicContact CG2-CB 4.09Å; T215-L473 HydrophobicContact CG2-CD2 3.66Å; T215-L473 HydrophobicContact CG2-CG 4.45Å; T215-V485 HydrophobicContact CG2-CB 3.77Å; T215-V485 HydrophobicContact CG2-CG1 3.86Å; T215-V485 HydrophobicContact CG2-CG2 4.17Å
216A97.4Very high95.1Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-63.8-48.4177.300000111.6A212 H213 F214 Q218 A219 I220 V353 V485A212-A216 WeakPolarHBondContact O-CB 3.22Å; A212-A216 PolarHBondContact O-N 2.91Å; H213-A216 PolarHBondContact O-N 3.49Å; F214-A216 PolarHBondContact O-N 2.92Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.39Å; A216-A219 WeakPolarHBondContact O-CB 3.48Å; A216-A219 PolarHBondContact O-N 3.1Å; A216-A219 VanDerWaalsContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 3Å; A216-V353 HydrophobicContact CB-CG1 3.61Å; A216-V485 HydrophobicContact CB-CG1 4.43Å
217N96.9Very high95.1Very high0 Ų024.4 Ų24.40%014%0.137CC..Hα-helixtrans-61.2-40.7179.3-71.5-8000111.8H213 F214 A219 I220 L221 Q242 S245 L246H213-N217 WeakPolarHBondContact O-CB 3.29Å; H213-N217 PolarHBondContact O-N 3.15Å; H213-N217 PolarHBondContact O-ND2 2.79Å; H213-N217 PolarHBondContact O-OD1 2.83Å; F214-N217 PolarHBondContact O-N 3.49Å; N217-A219 VanDerWaalsContact C-N 3.32Å; N217-A219 PolarHBondContact O-N 2.57Å; N217-I220 WeakPolarHBondContact O-CB 3.36Å; N217-I220 PolarHBondContact O-N 3.38Å; N217-I220 VanDerWaalsContact O-N 3.14Å; N217-L221 VanDerWaalsContact O-CG 3.28Å; N217-L221 WeakPolarHBondContact O-CG 3.44Å; N217-L221 PolarHBondContact O-N 3.38Å; N217-Q242 PolarHBondContact ND2-O 2.66Å; N217-Q242 WeakPolarHBondContact OD1-CG 3.38Å; N217-Q242 PolarHBondContact OD1-NE2 3.42Å; N217-S245 PolarHBondContact ND2-OG 3.03Å; N217-L246 HydrophobicContact CB-CB 4.43Å; N217-L246 HydrophobicContact CB-CD1 3.93Å; N217-L246 PolarHBondContact ND2-N 3.38Å
218Q95.9Very high94.9Very high25 Ų2528.8 Ų28.812%0.11717%0.172CC..Hα-helixtrans-60.5-42.9175-175.158.334.100111.7F214 A216 I220 L221 E222 F449 S450F214-Q218 VanDerWaalsContact O-CB 3.3Å; F214-Q218 WeakPolarHBondContact O-CB 3.27Å; F214-Q218 PolarHBondContact O-N 3.01Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.39Å; Q218-I220 VanDerWaalsContact C-N 3.31Å; Q218-I220 PolarHBondContact O-N 2.91Å; Q218-L221 PolarHBondContact O-N 3.42Å; Q218-E222 PolarHBondContact NE2-OE1 3.48Å; Q218-E222 WeakPolarHBondContact O-CG 3.24Å; Q218-E222 PolarHBondContact O-N 2.68Å; Q218-F449 VanDerWaalsContact CD-CE1 3.42Å; Q218-F449 HydrophobicContact CG-CD1 3.79Å; Q218-F449 HydrophobicContact CG-CE1 4.22Å; Q218-F449 VanDerWaalsContact OE1-CE1 3.24Å; Q218-S450 WeakPolarHBondContact CG-OG 3.42Å
219A96.2Very high94.7Very high1 Ų128.5 Ų28.51%0.00818%0.176CC..Hα-helixtrans-63.4-36.2175.400000112.9T215 A216 N217 G223 L351 V353 R444 V487T215-A219 PolarHBondContact O-N 3.22Å; T215-A219 VanDerWaalsContact O-N 3.15Å; A216-A219 WeakPolarHBondContact O-CB 3.48Å; A216-A219 PolarHBondContact O-N 3.1Å; A216-A219 VanDerWaalsContact O-N 3.11Å; N217-A219 VanDerWaalsContact C-N 3.32Å; N217-A219 PolarHBondContact O-N 2.57Å; A219-G223 WeakPolarHBondContact O-CA 3.23Å; A219-G223 PolarHBondContact O-N 3.3Å; A219-L351 WeakPolarHBondContact O-CD2 3.45Å; A219-V353 HydrophobicContact CB-CG2 4.19Å; A219-R444 PolarHBondContact O-NH2 2.72Å; A219-V487 HydrophobicContact CB-CG1 4.38Å; A219-V487 HydrophobicContact CB-CG2 3.37Å
220I96Very high94.7Very high0 Ų027.8 Ų27.80%017%0.17CC..Hα-helixtrans-67-48.2175.1-63.2170.3000110.4A216 N217 Q218 E222 G223 T224 V230 V232 W243 L246 V322 V353A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 3Å; N217-I220 WeakPolarHBondContact O-CB 3.36Å; N217-I220 PolarHBondContact O-N 3.38Å; N217-I220 VanDerWaalsContact O-N 3.14Å; Q218-I220 VanDerWaalsContact C-N 3.31Å; Q218-I220 PolarHBondContact O-N 2.91Å; I220-E222 PolarHBondContact O-N 2.87Å; I220-G223 PolarHBondContact O-N 2.88Å; I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 WeakPolarHBondContact O-CB 3.38Å; I220-T224 WeakPolarHBondContact O-CG2 3.11Å; I220-T224 PolarHBondContact O-N 2.56Å; I220-T224 PolarHBondContact O-OG1 3Å; I220-V230 HydrophobicContact CG2-CG1 4.09Å; I220-V232 HydrophobicContact CD1-CG2 4.3Å; I220-V232 HydrophobicContact CG2-CG2 4.19Å; I220-W243 HydrophobicContact CD1-CH2 4.29Å; I220-W243 HydrophobicContact CD1-CZ3 4.03Å; I220-L246 HydrophobicContact CD1-CD2 4.43Å; I220-L246 HydrophobicContact CG2-CD1 4.44Å; I220-L246 HydrophobicContact CG2-CD2 4.21Å; I220-V322 HydrophobicContact CG1-CG1 3.99Å; I220-V353 HydrophobicContact CG1-CG2 4.14Å
221L94.6Very high94.8Very high26 Ų2626.4 Ų26.414%0.13616%0.164CC..Hα-helixtrans-57.5-48.6178.8-71.6168.1000111.1N217 Q218 T224 A225 L246 D249 L250N217-L221 VanDerWaalsContact O-CG 3.28Å; N217-L221 WeakPolarHBondContact O-CG 3.44Å; N217-L221 PolarHBondContact O-N 3.38Å; Q218-L221 PolarHBondContact O-N 3.42Å; L221-T224 CarbonylContact O-C 3.56Å; L221-T224 PolarHBondContact O-N 2.86Å; L221-A225 PolarHBondContact O-N 2.9Å; L221-L246 HydrophobicContact CD1-CD1 4.46Å; L221-L246 HydrophobicContact CD2-CD1 3.88Å; L221-L246 HydrophobicContact CG-CD1 3.85Å; L221-D249 HydrophobicContact CD1-CB 3.67Å; L221-D249 HydrophobicContact CD2-CB 4.23Å; L221-L250 HydrophobicContact CD2-CD2 3.63Å; L221-L250 HydrophobicContact CD2-CG 4.05Å
222E94.3Very high94.8Very high63 Ų6326.4 Ų26.429%0.29416%0.164SC..Hα-helixtrans-66.2-42.7176.7-70.2172-178.200111.9Q218 I220 T224 A225 S447Q218-E222 PolarHBondContact NE2-OE1 3.48Å; Q218-E222 WeakPolarHBondContact O-CG 3.24Å; Q218-E222 PolarHBondContact O-N 2.68Å; I220-E222 PolarHBondContact O-N 2.87Å; E222-T224 PolarHBondContact O-N 3.45Å; E222-A225 PolarHBondContact O-N 3.24Å; E222-S447 VanDerWaalsContact CD-OG 3.29Å; E222-S447 VanDerWaalsContact OE1-CB 3.25Å; E222-S447 WeakPolarHBondContact OE1-CB 3.36Å; E222-S447 PolarHBondContact OE1-OG 2.89Å; E222-S447 VanDerWaalsContact OE2-CB 3.26Å; E222-S447 WeakPolarHBondContact OE2-CB 3.48Å; E222-S447 PolarHBondContact OE2-OG 2.84Å
223G94.2Very high94.8Very high12 Ų1226.3 Ų26.312%0.12416%0.163CC..Hα-helixtrans-64.5-25.617900000113.3A219 I220 K350A219-G223 WeakPolarHBondContact O-CA 3.23Å; A219-G223 PolarHBondContact O-N 3.3Å; I220-G223 PolarHBondContact O-N 2.88Å; G223-K350 WeakPolarHBondContact O-CE 3.36Å; G223-K350 PolarHBondContact O-NZ 3.03Å
224T93.4Very high94.8Very high2 Ų225.3 Ų25.31%0.01216%0.159CC..THydrogen-bonded Turntrans-115.314.6-175.363.10000113.3I220 L221 E222 D226 D227 V230 K258 V322I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 WeakPolarHBondContact O-CB 3.38Å; I220-T224 WeakPolarHBondContact O-CG2 3.11Å; I220-T224 PolarHBondContact O-N 2.56Å; I220-T224 PolarHBondContact O-OG1 3Å; L221-T224 CarbonylContact O-C 3.56Å; L221-T224 PolarHBondContact O-N 2.86Å; E222-T224 PolarHBondContact O-N 3.45Å; T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.45Å; T224-D227 WeakPolarHBondContact CA-OD2 3.19Å; T224-D227 WeakPolarHBondContact CB-OD2 3.43Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.4Å; T224-D227 PolarHBondContact O-N 2.81Å; T224-V230 HydrophobicContact CG2-CG1 4.38Å; T224-K258 PolarHBondContact O-NZ 3.33Å; T224-V322 HydrophobicContact CG2-CG2 3.58Å
225A91.6Very high94.7Very high58 Ų5824.5 Ų24.548%0.47916%0.155SC..THydrogen-bonded Turntrans-57-36.3-177.100000113.3L221 E222 K258L221-A225 PolarHBondContact O-N 2.9Å; E222-A225 PolarHBondContact O-N 3.24Å; A225-K258 VanDerWaalsContact C-NZ 3.28Å; A225-K258 PolarHBondContact O-NZ 2.81Å
226D90.3Very high94.3Very high163 Ų16327.5 Ų27.587%0.87217%0.171SC*.THydrogen-bonded Turntrans-93.5-5.6179.4-61-43.8000113.9T224T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.45Å
227D91.6Very high94.1Very high34 Ų3428 Ų2818%0.18217%0.174CC..  trans-79146.7-177.2-61.5-16.9000111.4T224 A229 K258 K350T224-D227 WeakPolarHBondContact CA-OD2 3.19Å; T224-D227 WeakPolarHBondContact CB-OD2 3.43Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.4Å; T224-D227 PolarHBondContact O-N 2.81Å; D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 WeakPolarHBondContact CB-O 3.43Å; D227-A229 PolarHBondContact O-N 3.34Å; D227-K258 WeakPolarHBondContact O-CD 3.45Å; D227-K258 WeakPolarHBondContact O-CE 3.3Å; D227-K258 PolarHBondContact O-NZ 2.9Å; D227-K350 IonicContact OD1-NZ 2.86Å; D227-K350 PolarHBondContact OD1-NZ 3.13Å; D227-K350 IonicContact OD2-NZ 2.68Å; D227-K350 PolarHBondContact OD2-NZ 3.1Å
228A90.8Very high93.6Very high91 Ų9129.2 Ų29.275%0.75219%0.187SC*.SBendtrans-72.6-24176.700000113.5P259A228-P259 WeakPolarHBondContact O-CD 3.34Å
229A92.4Very high93.2Very high26 Ų2631.4 Ų31.422%0.21520%0.197CC..SBendtrans-148.6154.5178.900000109.2D227 P259D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 WeakPolarHBondContact CB-O 3.43Å; D227-A229 PolarHBondContact O-N 3.34Å; A229-P259 WeakPolarHBondContact CA-O 3.31Å; A229-P259 HydrophobicContact CB-CB 4.2Å; A229-P259 HydrophobicContact CB-CG 4.44Å
230V94.3Very high93Very high1 Ų131.4 Ų31.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-105.8120.6176.4-1800000108I220 T224 V232 L250 P259 F260 R261I220-V230 HydrophobicContact CG2-CG1 4.09Å; T224-V230 HydrophobicContact CG2-CG1 4.38Å; V230-V232 HydrophobicContact CG1-CG2 4.09Å; V230-L250 HydrophobicContact CB-CD1 4.49Å; V230-L250 HydrophobicContact CG2-CD1 4.45Å; V230-L250 HydrophobicContact CG2-CD2 3.9Å; V230-P259 PolarHBondContact N-O 2.91Å; V230-F260 HydrophobicContact CB-CD2 4.07Å; V230-F260 HydrophobicContact CG1-CD2 3.93Å; V230-F260 HydrophobicContact CG1-CE2 4.2Å; V230-F260 CarbonylContact O-C 3.58Å; V230-F260 WeakPolarHBondContact O-CA 3.25Å; V230-R261 PolarHBondContact O-N 2.99Å
231H96.4Very high92.8Very high2 Ų232.3 Ų32.31%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-120.8113173.4-172.3179.3000109.5R261 T263 F312 C319 V322H231-R261 CarbonylContact C-O 3.6Å; H231-R261 WeakPolarHBondContact CA-O 3.29Å; H231-R261 HydrophobicContact CB-CB 4.32Å; H231-R261 PolarHBondContact CD2-O 3.02Å; H231-R261 VanDerWaalsContact CE1-CD 3.48Å; H231-R261 WeakPolarHBondContact CE1-CD 3.34Å; H231-R261 WeakPolarHBondContact NE2-CD 3.4Å; H231-T263 PolarHBondContact NE2-OG1 3.33Å; H231-F312 AromaticContact CE1-CZ 3.48Å; H231-F312 VanDerWaalsContact CE1-CZ 3.48Å; H231-F312 WeakPolarHBondContact CE1-CZ 3.42Å; H231-F312 AromaticContact NE2-CZ 3.69Å; H231-C319 HydrophobicContact CB-CB 4.36Å; H231-V322 PolarHBondContact O-N 3.05Å
232V97.9Very high92.8Very high0 Ų031.5 Ų31.50%020%0.2CC..EExtended strand (participates in β ladder)trans-105.7128.1175.5-177.70000110I220 V230 D234 W243 F260 R261 L262 T263 V322I220-V232 HydrophobicContact CD1-CG2 4.3Å; I220-V232 HydrophobicContact CG2-CG2 4.19Å; V230-V232 HydrophobicContact CG1-CG2 4.09Å; V232-D234 HydrophobicContact CG1-CB 4.27Å; V232-W243 HydrophobicContact CB-CH2 4.44Å; V232-W243 HydrophobicContact CB-CZ3 4.17Å; V232-W243 HydrophobicContact CG1-CH2 3.54Å; V232-W243 HydrophobicContact CG1-CZ2 4.31Å; V232-W243 HydrophobicContact CG1-CZ3 3.75Å; V232-W243 HydrophobicContact CG2-CZ3 4.11Å; V232-F260 HydrophobicContact CB-CE2 4.26Å; V232-F260 HydrophobicContact CG2-CE2 3.93Å; V232-R261 PolarHBondContact N-O 3.27Å; V232-L262 HydrophobicContact CB-CD1 4.26Å; V232-L262 HydrophobicContact CG1-CD1 4.36Å; V232-L262 CarbonylContact O-C 3.6Å; V232-T263 PolarHBondContact O-N 2.88Å; V232-V322 CarbonylContact C-O 3.53Å; V232-V322 WeakPolarHBondContact CA-O 3.47Å; V232-V322 HydrophobicContact CG2-CB 4.36Å
233V97.1Very high93Very high0 Ų028.6 Ų28.60%019%0.186CC..EExtended strand (participates in β ladder)trans-97.6113.5161.9175.40000106.9L235 T263 A265 F312 V321 V322 V323 S324 I343 L347V233-L235 HydrophobicContact CG1-CD1 4.35Å; V233-T263 CarbonylContact C-O 3.58Å; V233-T263 WeakPolarHBondContact CA-O 3.31Å; V233-A265 HydrophobicContact CG1-CB 3.87Å; V233-F312 HydrophobicContact CG2-CE1 3.68Å; V233-F312 HydrophobicContact CG2-CZ 3.68Å; V233-V321 HydrophobicContact CB-CG1 4.15Å; V233-V321 HydrophobicContact CG2-CG1 3.59Å; V233-V322 PolarHBondContact N-O 3.23Å; V233-V323 HydrophobicContact CB-CG2 4.35Å; V233-V323 VanDerWaalsContact O-CA 3.31Å; V233-V323 WeakPolarHBondContact O-CA 3.45Å; V233-S324 PolarHBondContact O-N 2.79Å; V233-I343 HydrophobicContact CG1-CD1 4.23Å; V233-L347 HydrophobicContact CG2-CD1 4.41Å
234D96.3Very high93.1Very high0 Ų028 Ų280%018%0.18CC..EExtended strand (participates in β ladder)trans-112.8137.7-178.4-175.3-99.7000111.2V232 N236 V237 W243 L262 T263 E264 A265 S324V232-D234 HydrophobicContact CG1-CB 4.27Å; D234-N236 WeakPolarHBondContact OD1-CA 3.49Å; D234-N236 PolarHBondContact OD1-N 3.42Å; D234-V237 HydrophobicContact CB-CG2 3.85Å; D234-V237 VanDerWaalsContact OD1-CA 3.3Å; D234-V237 WeakPolarHBondContact OD1-CA 3.39Å; D234-V237 VanDerWaalsContact OD1-CG2 3.31Å; D234-V237 WeakPolarHBondContact OD1-CG2 3.09Å; D234-V237 PolarHBondContact OD1-N 2.86Å; D234-W243 HydrophobicContact CB-CH2 4.18Å; D234-W243 HydrophobicContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact OD2-CZ2 3.24Å; D234-W243 WeakPolarHBondContact OD2-CZ2 3.32Å; D234-L262 HydrophobicContact CB-CD1 4.04Å; D234-T263 PolarHBondContact N-O 2.88Å; D234-E264 WeakPolarHBondContact O-CA 3.29Å; D234-A265 PolarHBondContact O-N 2.9Å; D234-S324 WeakPolarHBondContact CA-O 3.44Å; D234-S324 WeakPolarHBondContact OD2-CB 3.45Å; D234-S324 VanDerWaalsContact OD2-O 3.13Å; D234-S324 PolarHBondContact OD2-OG 3.35Å
235L93.4Very high93.1Very high10 Ų1027.9 Ų27.95%0.05218%0.18CC..SBendtrans-96.2-4.8-174.8-76.864.9000112.7V233 A265 V323 S324 C325 L336 L339 L340 I343V233-L235 HydrophobicContact CG1-CD1 4.35Å; L235-A265 HydrophobicContact CD1-CB 4.29Å; L235-A265 HydrophobicContact CG-CB 4.31Å; L235-V323 HydrophobicContact CD1-CG1 3.84Å; L235-S324 WeakPolarHBondContact CD1-O 3.44Å; L235-S324 PolarHBondContact N-O 2.84Å; L235-S324 VanDerWaalsContact N-O 3.08Å; L235-C325 HydrophobicContact CB-CB 4.44Å; L235-C325 HydrophobicContact CD2-CB 4.22Å; L235-L336 HydrophobicContact CB-CD2 4.01Å; L235-L336 WeakPolarHBondContact O-CD2 3.31Å; L235-L339 HydrophobicContact CB-CD2 4.33Å; L235-L339 HydrophobicContact CD2-CB 4.15Å; L235-L339 HydrophobicContact CD2-CD2 3.8Å; L235-L339 HydrophobicContact CD2-CG 3.78Å; L235-L339 HydrophobicContact CG-CD2 3.69Å; L235-L339 HydrophobicContact CG-CG 4.09Å; L235-L340 HydrophobicContact CD2-CB 3.77Å; L235-L340 HydrophobicContact CD2-CD1 4.35Å; L235-I343 HydrophobicContact CD1-CD1 3.72Å; L235-I343 HydrophobicContact CD2-CD1 4.26Å; L235-I343 HydrophobicContact CG-CD1 4.1Å
236N90Very high93.3Very high64 Ų6425.1 Ų25.134%0.34216%0.157SC..  trans-153.971.4-179.3-173.318000111.7D234 G238 D326D234-N236 WeakPolarHBondContact OD1-CA 3.49Å; D234-N236 PolarHBondContact OD1-N 3.42Å; N236-G238 VanDerWaalsContact C-N 3.28Å; N236-G238 PolarHBondContact O-N 3.35Å; N236-D326 HydrophobicContact CB-CB 4.42Å
237V92Very high93.6Very high9 Ų917.4 Ų17.46%0.05512%0.115CC..  trans-69.9-28.4-172.8169.60000112.3D234 E239 G240 L262 E264 T281 Y298D234-V237 HydrophobicContact CB-CG2 3.85Å; D234-V237 VanDerWaalsContact OD1-CA 3.3Å; D234-V237 WeakPolarHBondContact OD1-CA 3.39Å; D234-V237 VanDerWaalsContact OD1-CG2 3.31Å; D234-V237 WeakPolarHBondContact OD1-CG2 3.09Å; D234-V237 PolarHBondContact OD1-N 2.86Å; V237-E239 PolarHBondContact O-N 2.97Å; V237-G240 PolarHBondContact O-N 3.38Å; V237-L262 HydrophobicContact CG1-CD2 4.34Å; V237-L262 HydrophobicContact CG2-CD1 4.48Å; V237-L262 HydrophobicContact CG2-CD2 4.42Å; V237-E264 HydrophobicContact CB-CB 4.47Å; V237-E264 HydrophobicContact CB-CG 4.01Å; V237-E264 HydrophobicContact CG2-CB 3.75Å; V237-E264 HydrophobicContact CG2-CG 3.68Å; V237-T281 HydrophobicContact CG1-CG2 3.88Å; V237-Y298 HydrophobicContact CG1-CE2 4.37Å
238G87Confident93.7Very high26 Ų2616.9 Ų16.927%0.26811%0.114SC..THydrogen-bonded Turntrans54.7-129.1-175.300000112.4N236 R277 T281N236-G238 VanDerWaalsContact C-N 3.28Å; N236-G238 PolarHBondContact O-N 3.35Å; G238-R277 PolarHBondContact O-NH1 3.03Å; G238-T281 PolarHBondContact O-OG1 3.28Å
239E87.2Confident93.7Very high72 Ų7213.1 Ų13.134%0.3368%0.082SC..THydrogen-bonded Turntrans-88.30.1175.8-65.2-60.3109.800113.5V237 R277 R284V237-E239 PolarHBondContact O-N 2.97Å; E239-R277 WeakPolarHBondContact OE1-CG 3.4Å; E239-R284 IonicContact OE1-NH2 2.85Å; E239-R284 IonicContact OE2-CZ 3.21Å; E239-R284 VanDerWaalsContact OE2-CZ 3.25Å; E239-R284 IonicContact OE2-NH1 3.01Å; E239-R284 PolarHBondContact OE2-NH1 2.93Å; E239-R284 IonicContact OE2-NH2 3.56Å; E239-R284 PolarHBondContact OE2-NH2 3.36Å
240G92.5Very high93.7Very high0 Ų012.5 Ų12.50%08%0.075CC..SBendtrans90.18.9174.300000116.5V237 Q242 W243 A244V237-G240 PolarHBondContact O-N 3.38Å; G240-Q242 PolarHBondContact O-N 3.01Å; G240-W243 PolarHBondContact O-N 2.98Å; G240-A244 PolarHBondContact O-N 2.97Å; G240-A244 VanDerWaalsContact O-N 3.07Å
241A91.4Very high93.5Very high19 Ų1913.9 Ų13.916%0.1579%0.086CC..Hα-helixtrans-56.6-43.6-176.800000113.5W243 A244 S245A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 2.93Å; A241-A244 PolarHBondContact O-N 3.42Å; A241-S245 PolarHBondContact O-N 3.46Å
242Q95.2Very high93Very high10 Ų1021.5 Ų21.55%0.04712%0.115CC..Hα-helixtrans-55.9-45.8174.9-178.9179.4-1.700111.5H213 N217 G240 S245 L246H213-Q242 HydrophobicContact CB-CB 4.14Å; H213-Q242 HydrophobicContact CB-CG 3.95Å; N217-Q242 PolarHBondContact ND2-O 2.66Å; N217-Q242 WeakPolarHBondContact OD1-CG 3.38Å; N217-Q242 PolarHBondContact OD1-NE2 3.42Å; G240-Q242 PolarHBondContact O-N 3.01Å; Q242-S245 PolarHBondContact O-N 3.18Å; Q242-S245 PolarHBondContact O-OG 3.03Å; Q242-L246 PolarHBondContact O-N 3.01Å
243W97.8Very high91.8Very high1 Ų126.6 Ų26.60%0.00414%0.139CC..Hα-helixtrans-73.6-35.2-172.7-53.5114.6000112.6I220 V232 D234 G240 A241 S245 L246 M247 F260 L262 L285I220-W243 HydrophobicContact CD1-CH2 4.29Å; I220-W243 HydrophobicContact CD1-CZ3 4.03Å; V232-W243 HydrophobicContact CB-CH2 4.44Å; V232-W243 HydrophobicContact CB-CZ3 4.17Å; V232-W243 HydrophobicContact CG1-CH2 3.54Å; V232-W243 HydrophobicContact CG1-CZ2 4.31Å; V232-W243 HydrophobicContact CG1-CZ3 3.75Å; V232-W243 HydrophobicContact CG2-CZ3 4.11Å; D234-W243 HydrophobicContact CB-CH2 4.18Å; D234-W243 HydrophobicContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact OD2-CZ2 3.24Å; D234-W243 WeakPolarHBondContact OD2-CZ2 3.32Å; G240-W243 PolarHBondContact O-N 2.98Å; A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 2.93Å; W243-S245 VanDerWaalsContact C-N 3.29Å; W243-S245 PolarHBondContact O-N 3.45Å; W243-L246 HydrophobicContact CE3-CD2 3.83Å; W243-L246 HydrophobicContact CZ3-CD2 3.84Å; W243-L246 PolarHBondContact O-N 2.89Å; W243-M247 WeakPolarHBondContact O-CB 3.42Å; W243-M247 WeakPolarHBondContact O-CG 3.04Å; W243-M247 PolarHBondContact O-N 3.49Å; W243-F260 HydrophobicContact CB-CE1 4.44Å; W243-F260 HydrophobicContact CD2-CZ 4.47Å; W243-F260 AromaticContact CE3-CZ 3.82Å; W243-F260 HydrophobicContact CE3-CZ 3.82Å; W243-L262 HydrophobicContact CB-CD2 3.99Å; W243-L262 VanDerWaalsContact CD1-CD2 3.41Å; W243-L262 HydrophobicContact CD2-CD1 3.69Å; W243-L262 HydrophobicContact CD2-CD2 4Å; W243-L262 HydrophobicContact CD2-CG 4.49Å; W243-L262 HydrophobicContact CE3-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD2 3.48Å; W243-L262 VanDerWaalsContact CG-CD2 3.48Å; W243-L262 HydrophobicContact CG-CG 4.43Å; W243-L262 HydrophobicContact CZ2-CD1 4.21Å; W243-L285 HydrophobicContact CB-CD1 4.22Å; W243-L285 HydrophobicContact CB-CD2 4.18Å
244A95.8Very high90.1Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-59.1-41.8170.300000111.8L26 G240 A241 M247 S248 L285 F288L26-A244 HydrophobicContact CB-CB 4.07Å; L26-A244 HydrophobicContact CD1-CB 3.83Å; L26-A244 HydrophobicContact CD2-CB 3.71Å; L26-A244 HydrophobicContact CG-CB 4.07Å; G240-A244 PolarHBondContact O-N 2.97Å; G240-A244 VanDerWaalsContact O-N 3.07Å; A241-A244 PolarHBondContact O-N 3.42Å; A244-M247 PolarHBondContact O-N 3.2Å; A244-S248 PolarHBondContact O-N 3.34Å; A244-S248 VanDerWaalsContact O-N 3.11Å; A244-S248 PolarHBondContact O-OG 3.06Å; A244-L285 HydrophobicContact CB-CD2 4.36Å; A244-F288 HydrophobicContact CB-CD1 3.93Å; A244-F288 HydrophobicContact CB-CE1 3.84Å; A244-F288 VanDerWaalsContact O-CE1 3.28Å; A244-F288 WeakPolarHBondContact O-CE1 3.46Å
245S94.1Very high88.1Confident0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-66-40.6175.970.10000112.3N217 A241 Q242 W243 M247 S248 D249N217-S245 PolarHBondContact ND2-OG 3.03Å; A241-S245 PolarHBondContact O-N 3.46Å; Q242-S245 PolarHBondContact O-N 3.18Å; Q242-S245 PolarHBondContact O-OG 3.03Å; W243-S245 VanDerWaalsContact C-N 3.29Å; W243-S245 PolarHBondContact O-N 3.45Å; S245-M247 PolarHBondContact O-N 2.78Å; S245-S248 WeakPolarHBondContact O-CB 3.35Å; S245-S248 PolarHBondContact O-N 3.14Å; S245-D249 PolarHBondContact O-N 3.48Å
246L95.9Very high86.7Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-62.6-42.3174.5-176.763000112.4N217 I220 L221 Q242 W243 S248 D249 L250 F260N217-L246 HydrophobicContact CB-CB 4.43Å; N217-L246 HydrophobicContact CB-CD1 3.93Å; N217-L246 PolarHBondContact ND2-N 3.38Å; I220-L246 HydrophobicContact CD1-CD2 4.43Å; I220-L246 HydrophobicContact CG2-CD1 4.44Å; I220-L246 HydrophobicContact CG2-CD2 4.21Å; L221-L246 HydrophobicContact CD1-CD1 4.46Å; L221-L246 HydrophobicContact CD2-CD1 3.88Å; L221-L246 HydrophobicContact CG-CD1 3.85Å; Q242-L246 PolarHBondContact O-N 3.01Å; W243-L246 HydrophobicContact CE3-CD2 3.83Å; W243-L246 HydrophobicContact CZ3-CD2 3.84Å; W243-L246 PolarHBondContact O-N 2.89Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.28Å; L246-D249 PolarHBondContact O-N 2.96Å; L246-L250 HydrophobicContact CD1-CG 4.4Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.33Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.38Å; L246-F260 HydrophobicContact CD2-CE2 3.99Å; L246-F260 HydrophobicContact CD2-CZ 3.95Å
247M95.8Very high86.2Confident0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-58.9-41.6177.2-73.4172.1175.300111.7W243 A244 S245 D249 L250 A251 F260 L285 F288 A289 L292 L294 F296W243-M247 WeakPolarHBondContact O-CB 3.42Å; W243-M247 WeakPolarHBondContact O-CG 3.04Å; W243-M247 PolarHBondContact O-N 3.49Å; A244-M247 PolarHBondContact O-N 3.2Å; S245-M247 PolarHBondContact O-N 2.78Å; M247-D249 VanDerWaalsContact C-N 3.34Å; M247-D249 PolarHBondContact O-N 2.87Å; M247-L250 PolarHBondContact O-N 2.92Å; M247-A251 VanDerWaalsContact O-CB 3.31Å; M247-A251 WeakPolarHBondContact O-CB 3.5Å; M247-A251 PolarHBondContact O-N 3.15Å; M247-F260 HydrophobicContact CE-CD1 3.8Å; M247-F260 HydrophobicContact CE-CE1 3.77Å; M247-F260 HydrophobicContact CG-CD1 3.71Å; M247-F260 HydrophobicContact CG-CE1 3.91Å; M247-L285 HydrophobicContact CE-CB 3.98Å; M247-L285 HydrophobicContact CE-CD2 4.22Å; M247-L285 HydrophobicContact SD-CD2 4.38Å; M247-F288 HydrophobicContact CB-CD1 4.32Å; M247-F288 HydrophobicContact CB-CE1 4.13Å; M247-F288 HydrophobicContact SD-CD1 3.78Å; M247-F288 HydrophobicContact SD-CE1 4.47Å; M247-A289 HydrophobicContact CE-CB 4.14Å; M247-A289 HydrophobicContact SD-CB 4.03Å; M247-L292 HydrophobicContact CB-CD1 3.97Å; M247-L294 HydrophobicContact CB-CD2 3.74Å; M247-L294 HydrophobicContact CG-CD2 3.7Å; M247-F296 HydrophobicContact CE-CD1 3.91Å; M247-F296 HydrophobicContact CE-CD2 3.35Å; M247-F296 HydrophobicContact CE-CE1 3.74Å; M247-F296 HydrophobicContact CE-CE2 3.17Å; M247-F296 HydrophobicContact CE-CG 3.7Å; M247-F296 HydrophobicContact CE-CZ 3.36Å
248S93.2Very high86Confident23 Ų2349.9 Ų49.916%0.16125%0.249CC..Hα-helixtrans-60.9-44.4176.6-58.60000111.2A244 S245 L246 A251 R252A244-S248 PolarHBondContact O-N 3.34Å; A244-S248 VanDerWaalsContact O-N 3.11Å; A244-S248 PolarHBondContact O-OG 3.06Å; S245-S248 WeakPolarHBondContact O-CB 3.35Å; S245-S248 PolarHBondContact O-N 3.14Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.28Å; S248-A251 PolarHBondContact O-N 2.71Å; S248-R252 PolarHBondContact O-N 3.31Å; S248-R252 VanDerWaalsContact O-N 3.17Å
249D91.8Very high86.3Confident13 Ų1351.6 Ų51.67%0.0726%0.256CS..Hα-helixtrans-66.9-40.9177.5-74-38.4000112.9L221 S245 L246 M247 R252 H253L221-D249 HydrophobicContact CD1-CB 3.67Å; L221-D249 HydrophobicContact CD2-CB 4.23Å; S245-D249 PolarHBondContact O-N 3.48Å; L246-D249 PolarHBondContact O-N 2.96Å; M247-D249 VanDerWaalsContact C-N 3.34Å; M247-D249 PolarHBondContact O-N 2.87Å; D249-R252 PolarHBondContact O-N 3.37Å; D249-H253 PolarHBondContact O-N 3.11Å; D249-H253 VanDerWaalsContact O-N 3.17Å; D249-H253 PolarHBondContact O-ND1 2.81Å
250L92.7Very high86.6Confident13 Ų1348.3 Ų48.37%0.06824%0.24CC..Hα-helixtrans-64.3-41.7176.3-73.1173000112.1L221 V230 L246 M247 R252 G254 F260 L294L221-L250 HydrophobicContact CD2-CD2 3.63Å; L221-L250 HydrophobicContact CD2-CG 4.05Å; V230-L250 HydrophobicContact CB-CD1 4.49Å; V230-L250 HydrophobicContact CG2-CD1 4.45Å; V230-L250 HydrophobicContact CG2-CD2 3.9Å; L246-L250 HydrophobicContact CD1-CG 4.4Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.33Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.38Å; M247-L250 PolarHBondContact O-N 2.92Å; L250-R252 PolarHBondContact O-N 2.96Å; L250-G254 PolarHBondContact O-N 3.41Å; L250-F260 HydrophobicContact CD1-CB 3.99Å; L250-F260 HydrophobicContact CD1-CD1 4.47Å; L250-F260 HydrophobicContact CD1-CD2 4.15Å; L250-F260 HydrophobicContact CD1-CG 3.95Å; L250-L294 HydrophobicContact CB-CD1 4.34Å
251A90.6Very high86.8Confident29 Ų2952.2 Ų52.224%0.2426%0.255CS..Hα-helixtrans-64.8-29.917700000112.3M247 S248 L292M247-A251 VanDerWaalsContact O-CB 3.31Å; M247-A251 WeakPolarHBondContact O-CB 3.5Å; M247-A251 PolarHBondContact O-N 3.15Å; S248-A251 PolarHBondContact O-N 2.71Å; A251-L292 HydrophobicContact CB-CB 4.06Å; A251-L292 HydrophobicContact CB-CD1 4.25Å
252R84.7Confident87.1Confident162 Ų16251.3 Ų51.361%0.61125%0.247SC*.Hα-helixtrans-80.4-40.5-178.7-170.5173.567.979.3-13.8114.3S248 D249 L250S248-R252 PolarHBondContact O-N 3.31Å; S248-R252 VanDerWaalsContact O-N 3.17Å; D249-R252 PolarHBondContact O-N 3.37Å; L250-R252 PolarHBondContact O-N 2.96Å
253H72.9Confident87.2Confident108 Ų10851.1 Ų51.150%0.525%0.247SC..Hα-helixtrans-95.7-9.3-172.1-62.581.3000114.4D249 S255D249-H253 PolarHBondContact O-N 3.11Å; D249-H253 VanDerWaalsContact O-N 3.17Å; D249-H253 PolarHBondContact O-ND1 2.81Å; H253-S255 PolarHBondContact O-N 2.9Å; H253-S255 VanDerWaalsContact O-N 3.12Å
254G61.1Low87Confident26 Ų2651.3 Ų51.327%0.26825%0.248SC..  trans-76.998.2-175.500000113.3L250 R256L250-G254 PolarHBondContact O-N 3.41Å; G254-R256 CarbonylContact C-O 3.57Å; G254-R256 WeakPolarHBondContact CA-O 3.24Å; G254-R256 CarbonylContact O-C 3.53Å; G254-R256 PolarHBondContact O-N 2.99Å
255S54.5Low86.9Confident131 Ų13151.4 Ų51.492%0.91625%0.249SC*.SBendtrans-52.8-24.5159.4-55.90000111.7H253H253-S255 PolarHBondContact O-N 2.9Å; H253-S255 VanDerWaalsContact O-N 3.12Å
256R64.6Low86.5Confident219 Ų21953 Ų5383%0.82626%0.258SS*.SBendtrans-125.7128.6160.1-68.2170.973.9168.32.2106.6G254 K258G254-R256 CarbonylContact C-O 3.57Å; G254-R256 WeakPolarHBondContact CA-O 3.24Å; G254-R256 CarbonylContact O-C 3.53Å; G254-R256 PolarHBondContact O-N 2.99Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 2.9Å
257R79Confident85.7Confident152 Ų15256.6 Ų56.657%0.57428%0.28SS*.  trans-61.691.6173.4-67.9-168.4172.5138.6-5.7109.5G293R257-G293 WeakPolarHBondContact CD-O 3.39Å
258K87.6Confident84.2Confident44 Ų4458.8 Ų58.819%0.19129%0.294CS..  trans-61.7128.2-179-67.6-173.7-178.9-162.80108.6T224 A225 D227 R256 F260 L294T224-K258 PolarHBondContact O-NZ 3.33Å; A225-K258 VanDerWaalsContact C-NZ 3.28Å; A225-K258 PolarHBondContact O-NZ 2.81Å; D227-K258 WeakPolarHBondContact O-CD 3.45Å; D227-K258 WeakPolarHBondContact O-CE 3.3Å; D227-K258 PolarHBondContact O-NZ 2.9Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 2.9Å; K258-F260 PolarHBondContact O-N 3.37Å; K258-L294 WeakPolarHBondContact O-CD1 3.31Å
259P92.9Very high82.4Confident62 Ų6262.6 Ų62.640%0.40333%0.327SS..  trans-58.4136.2172.5-23.534.1000110.6A228 A229 V230 P295A228-P259 WeakPolarHBondContact O-CD 3.34Å; A229-P259 WeakPolarHBondContact CA-O 3.31Å; A229-P259 HydrophobicContact CB-CB 4.2Å; A229-P259 HydrophobicContact CB-CG 4.44Å; V230-P259 PolarHBondContact N-O 2.91Å; P259-P295 CarbonylContact C-O 3.52Å; P259-P295 WeakPolarHBondContact CA-O 3.31Å; P259-P295 HydrophobicContact CB-CB 4.25Å; P259-P295 HydrophobicContact CG-CB 4.45Å
260F95.4Very high80.5Confident2 Ų267 Ų671%0.00935%0.35CS..EExtended strand (participates in β ladder)trans-110.6125.6174.8177.8-137000109.8V230 V232 W243 L246 M247 L250 K258 L262 L294 P295 F296 Q297V230-F260 HydrophobicContact CB-CD2 4.07Å; V230-F260 HydrophobicContact CG1-CD2 3.93Å; V230-F260 HydrophobicContact CG1-CE2 4.2Å; V230-F260 CarbonylContact O-C 3.58Å; V230-F260 WeakPolarHBondContact O-CA 3.25Å; V232-F260 HydrophobicContact CB-CE2 4.26Å; V232-F260 HydrophobicContact CG2-CE2 3.93Å; W243-F260 HydrophobicContact CB-CE1 4.44Å; W243-F260 HydrophobicContact CD2-CZ 4.47Å; W243-F260 AromaticContact CE3-CZ 3.82Å; W243-F260 HydrophobicContact CE3-CZ 3.82Å; L246-F260 HydrophobicContact CD2-CE2 3.99Å; L246-F260 HydrophobicContact CD2-CZ 3.95Å; M247-F260 HydrophobicContact CE-CD1 3.8Å; M247-F260 HydrophobicContact CE-CE1 3.77Å; M247-F260 HydrophobicContact CG-CD1 3.71Å; M247-F260 HydrophobicContact CG-CE1 3.91Å; L250-F260 HydrophobicContact CD1-CB 3.99Å; L250-F260 HydrophobicContact CD1-CD1 4.47Å; L250-F260 HydrophobicContact CD1-CD2 4.15Å; L250-F260 HydrophobicContact CD1-CG 3.95Å; K258-F260 PolarHBondContact O-N 3.37Å; F260-L262 HydrophobicContact CE1-CB 4.32Å; F260-L262 HydrophobicContact CZ-CB 3.97Å; F260-L262 HydrophobicContact CZ-CD1 4.42Å; F260-L294 HydrophobicContact CB-CD2 4.19Å; F260-P295 PolarHBondContact N-O 2.79Å; F260-F296 HydrophobicContact CB-CD2 4.24Å; F260-F296 AromaticContact CD1-CD2 3.48Å; F260-F296 HydrophobicContact CD1-CD2 3.48Å; F260-F296 VanDerWaalsContact CD1-CD2 3.48Å; F260-F296 AromaticContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CE1-CD2 4.08Å; F260-F296 AromaticContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CG-CD2 4.09Å; F260-F296 HydrophobicContact CG-CE2 4.38Å; F260-F296 CarbonylContact O-C 3.53Å; F260-F296 VanDerWaalsContact O-CA 3.26Å; F260-F296 WeakPolarHBondContact O-CA 3.45Å; F260-F296 VanDerWaalsContact O-CD2 3.26Å; F260-F296 WeakPolarHBondContact O-CD2 3.5Å; F260-Q297 PolarHBondContact O-N 3.08Å
261R96.4Very high78.7Confident82 Ų8267.5 Ų67.531%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-116.5125.1172.4-177-179.4-69.1130.50.6109.1V230 H231 V232 Q297V230-R261 PolarHBondContact O-N 2.99Å; H231-R261 CarbonylContact C-O 3.6Å; H231-R261 WeakPolarHBondContact CA-O 3.29Å; H231-R261 HydrophobicContact CB-CB 4.32Å; H231-R261 PolarHBondContact CD2-O 3.02Å; H231-R261 VanDerWaalsContact CE1-CD 3.48Å; H231-R261 WeakPolarHBondContact CE1-CD 3.34Å; H231-R261 WeakPolarHBondContact NE2-CD 3.4Å; V232-R261 PolarHBondContact N-O 3.27Å; R261-Q297 WeakPolarHBondContact CA-O 3.46Å; R261-Q297 HydrophobicContact CG-CB 4.28Å
262L97.8Very high77.4Confident0 Ų071.9 Ų71.90%038%0.376CS..EExtended strand (participates in β ladder)trans-109.6132.6171.9179.763000109V232 D234 V237 W243 F260 L285 F296 Q297 Y298 G299V232-L262 HydrophobicContact CB-CD1 4.26Å; V232-L262 HydrophobicContact CG1-CD1 4.36Å; V232-L262 CarbonylContact O-C 3.6Å; D234-L262 HydrophobicContact CB-CD1 4.04Å; V237-L262 HydrophobicContact CG1-CD2 4.34Å; V237-L262 HydrophobicContact CG2-CD1 4.48Å; V237-L262 HydrophobicContact CG2-CD2 4.42Å; W243-L262 HydrophobicContact CB-CD2 3.99Å; W243-L262 VanDerWaalsContact CD1-CD2 3.41Å; W243-L262 HydrophobicContact CD2-CD1 3.69Å; W243-L262 HydrophobicContact CD2-CD2 4Å; W243-L262 HydrophobicContact CD2-CG 4.49Å; W243-L262 HydrophobicContact CE3-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD2 3.48Å; W243-L262 VanDerWaalsContact CG-CD2 3.48Å; W243-L262 HydrophobicContact CG-CG 4.43Å; W243-L262 HydrophobicContact CZ2-CD1 4.21Å; F260-L262 HydrophobicContact CE1-CB 4.32Å; F260-L262 HydrophobicContact CZ-CB 3.97Å; F260-L262 HydrophobicContact CZ-CD1 4.42Å; L262-L285 HydrophobicContact CD2-CD1 3.76Å; L262-F296 HydrophobicContact CB-CE2 3.81Å; L262-F296 HydrophobicContact CB-CZ 4.09Å; L262-Q297 PolarHBondContact N-O 3.06Å; L262-Y298 HydrophobicContact CD2-CD2 4Å; L262-Y298 HydrophobicContact CD2-CE2 3.74Å; L262-Y298 HydrophobicContact CG-CD2 4.45Å; L262-Y298 HydrophobicContact CG-CE2 4.33Å; L262-Y298 CarbonylContact O-C 3.53Å; L262-G299 PolarHBondContact O-N 3.48Å
263T96.2Very high76.3Confident6 Ų667.4 Ų67.44%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-125.3114.1175-58.20000109.6H231 V232 V233 D234 A265 G299 L301 F312H231-T263 PolarHBondContact NE2-OG1 3.33Å; V232-T263 PolarHBondContact O-N 2.88Å; V233-T263 CarbonylContact C-O 3.58Å; V233-T263 WeakPolarHBondContact CA-O 3.31Å; D234-T263 PolarHBondContact N-O 2.88Å; T263-A265 PolarHBondContact O-N 3.09Å; T263-G299 CarbonylContact C-O 3.59Å; T263-G299 VanDerWaalsContact CA-O 3.31Å; T263-G299 WeakPolarHBondContact CA-O 3.29Å; T263-L301 HydrophobicContact CG2-CB 3.61Å; T263-F312 HydrophobicContact CG2-CE2 3.81Å; T263-F312 HydrophobicContact CG2-CZ 4.03Å
264E94.8Very high76.4Confident6 Ų665.9 Ų65.93%0.02837%0.369CS..EExtended strand (participates in β ladder)trans-78.6117174-171.7175-172.800109.5D234 V237 V266 R277 M278 Y298 G299 S300 L301D234-E264 WeakPolarHBondContact O-CA 3.29Å; V237-E264 HydrophobicContact CB-CB 4.47Å; V237-E264 HydrophobicContact CB-CG 4.01Å; V237-E264 HydrophobicContact CG2-CB 3.75Å; V237-E264 HydrophobicContact CG2-CG 3.68Å; E264-V266 HydrophobicContact CG-CG1 4Å; E264-R277 IonicContact OE1-CZ 3.93Å; E264-R277 IonicContact OE1-NH1 2.79Å; E264-R277 PolarHBondContact OE1-NH1 3.01Å; E264-R277 IonicContact OE1-NH2 3.91Å; E264-R277 PolarHBondContact OE1-NH2 3.22Å; E264-M278 WeakPolarHBondContact OE2-CG 3.33Å; E264-Y298 HydrophobicContact CB-CE1 4.43Å; E264-Y298 PolarHBondContact OE2-OH 3.48Å; E264-G299 PolarHBondContact N-O 3.1Å; E264-S300 CarbonylContact O-C 3.52Å; E264-S300 WeakPolarHBondContact O-CA 3.28Å; E264-L301 PolarHBondContact O-N 3.38Å
265A92.8Very high77.4Confident2 Ų266.4 Ų66.42%0.01737%0.37CS..EExtended strand (participates in β ladder)trans-93.8122.4176.500000110.5V233 D234 L235 T263 L301 L339 I343V233-A265 HydrophobicContact CG1-CB 3.87Å; D234-A265 PolarHBondContact O-N 2.9Å; L235-A265 HydrophobicContact CD1-CB 4.29Å; L235-A265 HydrophobicContact CG-CB 4.31Å; T263-A265 PolarHBondContact O-N 3.09Å; A265-L301 WeakPolarHBondContact CA-O 3.02Å; A265-L339 HydrophobicContact CB-CD2 4.31Å; A265-I343 HydrophobicContact CB-CD1 3.98Å
266V86.5Confident78.9Confident32 Ų3267.7 Ų67.719%0.19436%0.362CS..EExtended strand (participates in β ladder)trans-126.1139.7-176.1-61.80000112.5E264 L301 R302 V303E264-V266 HydrophobicContact CG-CG1 4Å; V266-L301 PolarHBondContact N-O 3.36Å; V266-R302 HydrophobicContact CG2-CB 4.41Å; V266-R302 HydrophobicContact CG2-CG 4.45Å; V266-V303 PolarHBondContact O-N 3.03Å
267V78.6Confident79.9Confident76 Ų7660.4 Ų60.446%0.46133%0.334SS..  trans-110.688.7169.7176.60000107.5L339V267-L339 HydrophobicContact CG2-CB 3.93Å; V267-L339 HydrophobicContact CG2-CD1 3.61Å; V267-L339 HydrophobicContact CG2-CD2 3.78Å; V267-L339 HydrophobicContact CG2-CG 3.95Å
268T65.1Low80.4Confident46 Ų4655.4 Ų55.428%0.28232%0.318SS..  trans-136.9138.117161.90000110.9A271 R302T268-A271 VanDerWaalsContact OG1-CA 3.27Å; T268-A271 WeakPolarHBondContact OG1-CA 3.34Å; T268-A271 PolarHBondContact OG1-N 2.82Å; T268-R302 PolarHBondContact O-NE 2.76Å; T268-R302 PolarHBondContact O-NH2 3.22Å
269A55.2Low80.6Confident104 Ų10456.1 Ų56.186%0.8633%0.332SS*.SBendtrans-69.3-30.2161.300000110.5R302A269-R302 PolarHBondContact O-NH2 2.82Å
270D52.4Low80.6Confident105 Ų10554.5 Ų54.556%0.56132%0.324SS*.  trans-11979.4-177.2-147.8-11.7000110.6D272D270-D272 PolarHBondContact O-N 3.42Å
271A53.5Low80.4Confident24 Ų2454.4 Ų54.420%0.19832%0.323CS..THydrogen-bonded Turntrans-70-13.4179.400000112.9T268 A273 A275 R302T268-A271 VanDerWaalsContact OG1-CA 3.27Å; T268-A271 WeakPolarHBondContact OG1-CA 3.34Å; T268-A271 PolarHBondContact OG1-N 2.82Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.8Å; A271-A275 PolarHBondContact O-N 3.43Å; A271-R302 VanDerWaalsContact CB-CZ 3.48Å
272D63.1Low80.4Confident121 Ų12151.4 Ų51.465%0.64732%0.316SS*.THydrogen-bonded Turntrans-74.4-25.8-174.7-64-18.9000111.5D270 D274 A275D270-D272 PolarHBondContact O-N 3.42Å; D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.99Å; D272-A275 PolarHBondContact O-N 2.95Å
273A62.6Low80.4Confident68 Ų6856.9 Ų56.956%0.56234%0.337SS*.THydrogen-bonded Turntrans-58.9-39.117700000112.5A271A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.8Å
274D74.5Confident80.4Confident76 Ų7658.1 Ų58.141%0.40634%0.341SS..THydrogen-bonded Turntrans-105.7-3.5-174.7-9525.8000113.9D272 H276 R277 M278D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.99Å; D274-H276 PolarHBondContact O-N 3.4Å; D274-R277 PolarHBondContact O-N 2.88Å; D274-R277 VanDerWaalsContact O-N 3.07Å; D274-R277 IonicContact OD2-CZ 3.48Å; D274-R277 IonicContact OD2-NE 3.69Å; D274-R277 PolarHBondContact OD2-NE 2.95Å; D274-R277 IonicContact OD2-NH2 3.06Å; D274-R277 PolarHBondContact OD2-NH2 3.18Å; D274-M278 PolarHBondContact O-N 3.39Å
275A82.2Confident80.5Confident36 Ų3657.9 Ų57.930%0.29834%0.34SS..Hα-helixtrans-56.4-37.5-175.800000112.9A271 D272 A279A271-A275 PolarHBondContact O-N 3.43Å; D272-A275 PolarHBondContact O-N 2.95Å; A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 2.94Å
276H85.5Confident80.8Confident158 Ų15859.7 Ų59.773%0.73135%0.352SS*.Hα-helixtrans-66.8-43.5177.6-67.190.2000112.3D274 A279 A280D274-H276 PolarHBondContact O-N 3.4Å; H276-A279 PolarHBondContact O-N 3.48Å; H276-A280 WeakPolarHBondContact O-CB 3.27Å; H276-A280 PolarHBondContact O-N 2.86Å
277R86.4Confident81.3Confident67 Ų6762.1 Ų62.125%0.25336%0.362SS..Hα-helixtrans-62.4-50.6176.2-178-170.960.370.12.4110.3G238 E239 E264 D274 A279 A280 T281G238-R277 PolarHBondContact O-NH1 3.03Å; E239-R277 WeakPolarHBondContact OE1-CG 3.4Å; E264-R277 IonicContact OE1-CZ 3.93Å; E264-R277 IonicContact OE1-NH1 2.79Å; E264-R277 PolarHBondContact OE1-NH1 3.01Å; E264-R277 IonicContact OE1-NH2 3.91Å; E264-R277 PolarHBondContact OE1-NH2 3.22Å; D274-R277 PolarHBondContact O-N 2.88Å; D274-R277 VanDerWaalsContact O-N 3.07Å; D274-R277 IonicContact OD2-CZ 3.48Å; D274-R277 IonicContact OD2-NE 3.69Å; D274-R277 PolarHBondContact OD2-NE 2.95Å; D274-R277 IonicContact OD2-NH2 3.06Å; D274-R277 PolarHBondContact OD2-NH2 3.18Å; R277-A279 VanDerWaalsContact C-N 3.34Å; R277-A279 PolarHBondContact O-N 2.86Å; R277-A280 PolarHBondContact O-N 3.22Å; R277-T281 PolarHBondContact O-N 2.94Å; R277-T281 PolarHBondContact O-OG1 2.8Å
278M89.4Confident82.1Confident46 Ų4658.8 Ų58.823%0.22734%0.341CS..Hα-helixtrans-58.9-43.9179.1179171.16500111.7E264 D274 T281 A282 Y298E264-M278 WeakPolarHBondContact OE2-CG 3.33Å; D274-M278 PolarHBondContact O-N 3.39Å; M278-T281 PolarHBondContact O-N 3.31Å; M278-A282 VanDerWaalsContact O-CB 3.27Å; M278-A282 WeakPolarHBondContact O-CB 3.43Å; M278-A282 PolarHBondContact O-N 3.45Å; M278-Y298 HydrophobicContact CG-CE1 3.93Å
279A92Very high83.6Confident60 Ų6056.6 Ų56.650%0.49633%0.328SS..Hα-helixtrans-64.1-41.5176.600000112.5A275 H276 R277 R283A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 2.94Å; H276-A279 PolarHBondContact O-N 3.48Å; R277-A279 VanDerWaalsContact C-N 3.34Å; R277-A279 PolarHBondContact O-N 2.86Å; A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.47Å
280A91.6Very high85.5Confident27 Ų2757.4 Ų57.422%0.22332%0.317CS..Hα-helixtrans-63.8-44.5176.300000111.8H276 R277 R283 R284H276-A280 WeakPolarHBondContact O-CB 3.27Å; H276-A280 PolarHBondContact O-N 2.86Å; R277-A280 PolarHBondContact O-N 3.22Å; A280-R283 PolarHBondContact O-N 3.5Å; A280-R284 WeakPolarHBondContact O-CG 3.47Å; A280-R284 PolarHBondContact O-N 2.97Å; A280-R284 PolarHBondContact O-NE 2.94Å
281T93Very high87.5Confident0 Ų056 Ų560%032%0.316CS..Hα-helixtrans-63.9-46.2175.9-64.50000111.9V237 G238 R277 M278 R283 R284 L285 Y298V237-T281 HydrophobicContact CG1-CG2 3.88Å; G238-T281 PolarHBondContact O-OG1 3.28Å; R277-T281 PolarHBondContact O-N 2.94Å; R277-T281 PolarHBondContact O-OG1 2.8Å; M278-T281 PolarHBondContact O-N 3.31Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 2.91Å; T281-R284 PolarHBondContact O-N 3.42Å; T281-R284 PolarHBondContact OG1-NH2 3.29Å; T281-L285 HydrophobicContact CG2-CD1 3.82Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.42Å; T281-L285 PolarHBondContact O-N 2.82Å; T281-Y298 HydrophobicContact CG2-CE2 4.39Å
282A96.4Very high89.4Confident20 Ų2057.1 Ų57.117%0.16532%0.318CS..Hα-helixtrans-57.5-43.9177.200000112M278 S286 Y298M278-A282 VanDerWaalsContact O-CB 3.27Å; M278-A282 WeakPolarHBondContact O-CB 3.43Å; M278-A282 PolarHBondContact O-N 3.45Å; A282-S286 WeakPolarHBondContact O-CB 3.23Å; A282-S286 PolarHBondContact O-N 2.99Å; A282-S286 PolarHBondContact O-OG 3.44Å; A282-Y298 HydrophobicContact CB-CD1 3.49Å; A282-Y298 VanDerWaalsContact CB-CD1 3.49Å; A282-Y298 HydrophobicContact CB-CD2 4.08Å; A282-Y298 HydrophobicContact CB-CE1 3.86Å; A282-Y298 HydrophobicContact CB-CE2 4.4Å; A282-Y298 HydrophobicContact CB-CG 3.6Å
283R97.4Very high90.8Very high115 Ų11553 Ų5343%0.43431%0.305SS..Hα-helixtrans-62-53.1175.5-177.8-175.463.6166.5-0111.5A279 A280 T281 L285 S286 E287A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.47Å; A280-R283 PolarHBondContact O-N 3.5Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 2.91Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 3.18Å; R283-S286 PolarHBondContact O-N 3.39Å; R283-S286 VanDerWaalsContact O-N 3.12Å; R283-E287 WeakPolarHBondContact CD-OE1 3.39Å; R283-E287 HydrophobicContact CG-CG 4.4Å; R283-E287 VanDerWaalsContact CG-OE1 3.25Å; R283-E287 WeakPolarHBondContact CG-OE1 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.27Å; R283-E287 PolarHBondContact O-N 3.09Å
284R95.5Very high92.3Very high31 Ų3149.9 Ų49.912%0.11728%0.278CS..Hα-helixtrans-57.7-45.2-178.5-74.8-179.7-63.2-133.2-1.3112.3E239 A280 T281 S286 E287 F288E239-R284 IonicContact OE1-NH2 2.85Å; E239-R284 IonicContact OE2-CZ 3.21Å; E239-R284 VanDerWaalsContact OE2-CZ 3.25Å; E239-R284 IonicContact OE2-NH1 3.01Å; E239-R284 PolarHBondContact OE2-NH1 2.93Å; E239-R284 IonicContact OE2-NH2 3.56Å; E239-R284 PolarHBondContact OE2-NH2 3.36Å; A280-R284 WeakPolarHBondContact O-CG 3.47Å; A280-R284 PolarHBondContact O-N 2.97Å; A280-R284 PolarHBondContact O-NE 2.94Å; T281-R284 PolarHBondContact O-N 3.42Å; T281-R284 PolarHBondContact OG1-NH2 3.29Å; R284-S286 VanDerWaalsContact C-N 3.33Å; R284-S286 PolarHBondContact O-N 3.28Å; R284-E287 PolarHBondContact O-N 3.16Å; R284-F288 WeakPolarHBondContact O-CB 3.39Å; R284-F288 PolarHBondContact O-N 3.41Å
285L97.6Very high93.3Very high1 Ų149.2 Ų49.21%0.00528%0.278CS..Hα-helixtrans-66.9-34.8178.4-71.5179000112.4W243 A244 M247 L262 T281 R283 A289 F296 Y298W243-L285 HydrophobicContact CB-CD1 4.22Å; W243-L285 HydrophobicContact CB-CD2 4.18Å; A244-L285 HydrophobicContact CB-CD2 4.36Å; M247-L285 HydrophobicContact CE-CB 3.98Å; M247-L285 HydrophobicContact CE-CD2 4.22Å; M247-L285 HydrophobicContact SD-CD2 4.38Å; L262-L285 HydrophobicContact CD2-CD1 3.76Å; T281-L285 HydrophobicContact CG2-CD1 3.82Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.42Å; T281-L285 PolarHBondContact O-N 2.82Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 3.18Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.76Å; L285-F296 HydrophobicContact CB-CE1 3.8Å; L285-F296 HydrophobicContact CB-CZ 3.98Å; L285-F296 HydrophobicContact CD1-CZ 4.48Å; L285-Y298 HydrophobicContact CD1-CD2 4.09Å; L285-Y298 HydrophobicContact CD1-CE2 3.91Å
286S98Very high94Very high40 Ų4049.3 Ų49.328%0.2827%0.272SS..Hα-helixtrans-68.2-47.6176.1-56.10000111.7A282 R283 R284 F288 A289 D290A282-S286 WeakPolarHBondContact O-CB 3.23Å; A282-S286 PolarHBondContact O-N 2.99Å; A282-S286 PolarHBondContact O-OG 3.44Å; R283-S286 PolarHBondContact O-N 3.39Å; R283-S286 VanDerWaalsContact O-N 3.12Å; R284-S286 VanDerWaalsContact C-N 3.33Å; R284-S286 PolarHBondContact O-N 3.28Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.06Å; S286-A289 PolarHBondContact O-N 3.3Å; S286-D290 WeakPolarHBondContact O-CB 3.37Å; S286-D290 VanDerWaalsContact O-CG 3.31Å; S286-D290 PolarHBondContact O-N 3.48Å
287E97.6Very high94.5Very high83 Ų8346.8 Ų46.839%0.38826%0.26SS..Hα-helixtrans-59.5-41175.1-70.3169.7-179.100111.5F14 R283 R284 D290 S291F14-E287 HydrophobicContact CE1-CB 4.44Å; R283-E287 WeakPolarHBondContact CD-OE1 3.39Å; R283-E287 HydrophobicContact CG-CG 4.4Å; R283-E287 VanDerWaalsContact CG-OE1 3.25Å; R283-E287 WeakPolarHBondContact CG-OE1 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.27Å; R283-E287 PolarHBondContact O-N 3.09Å; R284-E287 PolarHBondContact O-N 3.16Å; E287-D290 PolarHBondContact O-N 3.26Å; E287-S291 PolarHBondContact O-N 3.01Å
288F95.5Very high95Very high6 Ų645.3 Ų45.33%0.02626%0.255CS..Hα-helixtrans-65.5-46176.3-174-110.6000112.1F14 L26 A244 M247 R284 S286 D290 S291 L292F14-F288 AromaticContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CE2 4.47Å; F14-F288 HydrophobicContact CZ-CD2 4.23Å; L26-F288 HydrophobicContact CD1-CB 4.18Å; L26-F288 HydrophobicContact CD1-CD1 4.43Å; L26-F288 HydrophobicContact CD1-CD2 3.96Å; L26-F288 HydrophobicContact CD1-CE2 4.48Å; L26-F288 HydrophobicContact CD1-CG 3.92Å; A244-F288 HydrophobicContact CB-CD1 3.93Å; A244-F288 HydrophobicContact CB-CE1 3.84Å; A244-F288 VanDerWaalsContact O-CE1 3.28Å; A244-F288 WeakPolarHBondContact O-CE1 3.46Å; M247-F288 HydrophobicContact CB-CD1 4.32Å; M247-F288 HydrophobicContact CB-CE1 4.13Å; M247-F288 HydrophobicContact SD-CD1 3.78Å; M247-F288 HydrophobicContact SD-CE1 4.47Å; R284-F288 WeakPolarHBondContact O-CB 3.39Å; R284-F288 PolarHBondContact O-N 3.41Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.06Å; F288-D290 VanDerWaalsContact C-N 3.33Å; F288-D290 PolarHBondContact O-N 2.78Å; F288-S291 WeakPolarHBondContact O-CB 3.39Å; F288-S291 PolarHBondContact O-N 3.16Å; F288-S291 PolarHBondContact O-OG 3.43Å; F288-L292 HydrophobicContact CD1-CD1 4.08Å; F288-L292 HydrophobicContact CE1-CD1 3.56Å; F288-L292 HydrophobicContact CE1-CG 4.42Å; F288-L292 HydrophobicContact CZ-CD1 3.91Å; F288-L292 HydrophobicContact CZ-CG 4.44Å; F288-L292 PolarHBondContact O-N 3.46Å
289A95.6Very high95.2Very high0 Ų044.2 Ų44.20%026%0.256CS..Hα-helixtrans-62-40.4176.500000112.5M247 L285 S286 S291 L292 G293 L294 F296M247-A289 HydrophobicContact CE-CB 4.14Å; M247-A289 HydrophobicContact SD-CB 4.03Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.76Å; S286-A289 PolarHBondContact O-N 3.3Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.18Å; A289-L292 CarbonylContact O-C 3.6Å; A289-L292 PolarHBondContact O-N 3.49Å; A289-L292 VanDerWaalsContact O-N 3.1Å; A289-G293 PolarHBondContact O-N 3.34Å; A289-G293 VanDerWaalsContact O-N 3.07Å; A289-L294 HydrophobicContact CB-CB 4.39Å; A289-L294 PolarHBondContact O-N 3Å; A289-F296 HydrophobicContact CB-CB 3.32Å; A289-F296 HydrophobicContact CB-CD1 4Å; A289-F296 HydrophobicContact CB-CG 3.77Å
290D95.9Very high95.2Very high121 Ų12144.9 Ų44.965%0.64726%0.257SS*.Hα-helixtrans-60.9-40.5174.7-75.1-20.4000111.3S286 E287 F288 L292 G293S286-D290 WeakPolarHBondContact O-CB 3.37Å; S286-D290 VanDerWaalsContact O-CG 3.31Å; S286-D290 PolarHBondContact O-N 3.48Å; E287-D290 PolarHBondContact O-N 3.26Å; F288-D290 VanDerWaalsContact C-N 3.33Å; F288-D290 PolarHBondContact O-N 2.78Å; D290-L292 PolarHBondContact O-N 3.43Å; D290-G293 PolarHBondContact O-N 3Å
291S95.2Very high95.2Very high75 Ų7544.1 Ų44.152%0.52425%0.249SC..Hα-helixtrans-62.2-27.8175.583.30000113.3E287 F288 A289E287-S291 PolarHBondContact O-N 3.01Å; F288-S291 WeakPolarHBondContact O-CB 3.39Å; F288-S291 PolarHBondContact O-N 3.16Å; F288-S291 PolarHBondContact O-OG 3.43Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.18Å
292L93.2Very high95.1Very high48 Ų4847.4 Ų47.425%0.25126%0.261SS..THydrogen-bonded Turntrans-89-6.5174.6-61.2176.1000112.8M247 A251 F288 A289 D290 L294M247-L292 HydrophobicContact CB-CD1 3.97Å; A251-L292 HydrophobicContact CB-CB 4.06Å; A251-L292 HydrophobicContact CB-CD1 4.25Å; F288-L292 HydrophobicContact CD1-CD1 4.08Å; F288-L292 HydrophobicContact CE1-CD1 3.56Å; F288-L292 HydrophobicContact CE1-CG 4.42Å; F288-L292 HydrophobicContact CZ-CD1 3.91Å; F288-L292 HydrophobicContact CZ-CG 4.44Å; F288-L292 PolarHBondContact O-N 3.46Å; A289-L292 CarbonylContact O-C 3.6Å; A289-L292 PolarHBondContact O-N 3.49Å; A289-L292 VanDerWaalsContact O-N 3.1Å; D290-L292 PolarHBondContact O-N 3.43Å; L292-L294 HydrophobicContact CB-CB 4.25Å; L292-L294 PolarHBondContact O-N 2.97Å
293G92.4Very high94.8Very high35 Ų3547.3 Ų47.336%0.36126%0.259SS..THydrogen-bonded Turntrans61.725.5-170.200000113.3R257 A289 D290R257-G293 WeakPolarHBondContact CD-O 3.39Å; A289-G293 PolarHBondContact O-N 3.34Å; A289-G293 VanDerWaalsContact O-N 3.07Å; D290-G293 PolarHBondContact O-N 3Å
294L93.8Very high94.3Very high2 Ų250.2 Ų50.21%0.0127%0.27CS..  trans-88120.9-178.6179.570.8000109.6M247 L250 K258 F260 A289 L292 F296M247-L294 HydrophobicContact CB-CD2 3.74Å; M247-L294 HydrophobicContact CG-CD2 3.7Å; L250-L294 HydrophobicContact CB-CD1 4.34Å; K258-L294 WeakPolarHBondContact O-CD1 3.31Å; F260-L294 HydrophobicContact CB-CD2 4.19Å; A289-L294 HydrophobicContact CB-CB 4.39Å; A289-L294 PolarHBondContact O-N 3Å; L292-L294 HydrophobicContact CB-CB 4.25Å; L292-L294 PolarHBondContact O-N 2.97Å; L294-F296 PolarHBondContact O-N 3.27Å
295P95.1Very high94Very high63 Ų6350.9 Ų50.941%0.40928%0.279SS..  trans-62.4113.5174.2-19.331.4000110.1P259 F260P259-P295 CarbonylContact C-O 3.52Å; P259-P295 WeakPolarHBondContact CA-O 3.31Å; P259-P295 HydrophobicContact CB-CB 4.25Å; P259-P295 HydrophobicContact CG-CB 4.45Å; F260-P295 PolarHBondContact N-O 2.79Å
296F96.1Very high93.7Very high38 Ų3853.8 Ų53.817%0.16730%0.295CS..EExtended strand (participates in β ladder)trans-127.4144.6-173.7176.3-112.1000112.7M247 F260 L262 L285 A289 L294 Y298M247-F296 HydrophobicContact CE-CD1 3.91Å; M247-F296 HydrophobicContact CE-CD2 3.35Å; M247-F296 HydrophobicContact CE-CE1 3.74Å; M247-F296 HydrophobicContact CE-CE2 3.17Å; M247-F296 HydrophobicContact CE-CG 3.7Å; M247-F296 HydrophobicContact CE-CZ 3.36Å; F260-F296 HydrophobicContact CB-CD2 4.24Å; F260-F296 AromaticContact CD1-CD2 3.48Å; F260-F296 HydrophobicContact CD1-CD2 3.48Å; F260-F296 VanDerWaalsContact CD1-CD2 3.48Å; F260-F296 AromaticContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CE1-CD2 4.08Å; F260-F296 AromaticContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CG-CD2 4.09Å; F260-F296 HydrophobicContact CG-CE2 4.38Å; F260-F296 CarbonylContact O-C 3.53Å; F260-F296 VanDerWaalsContact O-CA 3.26Å; F260-F296 WeakPolarHBondContact O-CA 3.45Å; F260-F296 VanDerWaalsContact O-CD2 3.26Å; F260-F296 WeakPolarHBondContact O-CD2 3.5Å; L262-F296 HydrophobicContact CB-CE2 3.81Å; L262-F296 HydrophobicContact CB-CZ 4.09Å; L285-F296 HydrophobicContact CB-CE1 3.8Å; L285-F296 HydrophobicContact CB-CZ 3.98Å; L285-F296 HydrophobicContact CD1-CZ 4.48Å; A289-F296 HydrophobicContact CB-CB 3.32Å; A289-F296 HydrophobicContact CB-CD1 4Å; A289-F296 HydrophobicContact CB-CG 3.77Å; L294-F296 PolarHBondContact O-N 3.27Å; F296-Y298 HydrophobicContact CE1-CD2 4.41Å; F296-Y298 AromaticContact CZ-CD2 3.98Å; F296-Y298 HydrophobicContact CZ-CD2 3.98Å
297Q96.4Very high93.4Very high104 Ų10458.3 Ų58.349%0.48631%0.311SS..EExtended strand (participates in β ladder)trans-135.9123.9171-175.1178.117.300110.4F260 R261 L262F260-Q297 PolarHBondContact O-N 3.08Å; R261-Q297 WeakPolarHBondContact CA-O 3.46Å; R261-Q297 HydrophobicContact CG-CB 4.28Å; L262-Q297 PolarHBondContact N-O 3.06Å
298Y97.2Very high93.2Very high36 Ų3656.7 Ų56.714%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-93.1137.8167.1-162.4-84.3000110.3V237 L262 E264 M278 T281 A282 L285 F296V237-Y298 HydrophobicContact CG1-CE2 4.37Å; L262-Y298 HydrophobicContact CD2-CD2 4Å; L262-Y298 HydrophobicContact CD2-CE2 3.74Å; L262-Y298 HydrophobicContact CG-CD2 4.45Å; L262-Y298 HydrophobicContact CG-CE2 4.33Å; L262-Y298 CarbonylContact O-C 3.53Å; E264-Y298 HydrophobicContact CB-CE1 4.43Å; E264-Y298 PolarHBondContact OE2-OH 3.48Å; M278-Y298 HydrophobicContact CG-CE1 3.93Å; T281-Y298 HydrophobicContact CG2-CE2 4.39Å; A282-Y298 HydrophobicContact CB-CD1 3.49Å; A282-Y298 VanDerWaalsContact CB-CD1 3.49Å; A282-Y298 HydrophobicContact CB-CD2 4.08Å; A282-Y298 HydrophobicContact CB-CE1 3.86Å; A282-Y298 HydrophobicContact CB-CE2 4.4Å; A282-Y298 HydrophobicContact CB-CG 3.6Å; L285-Y298 HydrophobicContact CD1-CD2 4.09Å; L285-Y298 HydrophobicContact CD1-CE2 3.91Å; F296-Y298 HydrophobicContact CE1-CD2 4.41Å; F296-Y298 AromaticContact CZ-CD2 3.98Å; F296-Y298 HydrophobicContact CZ-CD2 3.98Å
299G93.9Very high93Very high23 Ų2356.5 Ų56.524%0.23731%0.305CS..EExtended strand (participates in β ladder)trans-141167.2173.400000111.9L262 T263 E264L262-G299 PolarHBondContact O-N 3.48Å; T263-G299 CarbonylContact C-O 3.59Å; T263-G299 VanDerWaalsContact CA-O 3.31Å; T263-G299 WeakPolarHBondContact CA-O 3.29Å; E264-G299 PolarHBondContact N-O 3.1Å
300S92.5Very high92.9Very high74 Ų7461.3 Ų61.352%0.51733%0.327SS..EExtended strand (participates in β ladder)trans-126136.5175.862.20000110E264E264-S300 CarbonylContact O-C 3.52Å; E264-S300 WeakPolarHBondContact O-CA 3.28Å
301L91.9Very high92.7Very high12 Ų1257.7 Ų57.76%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-117.7105.4174.117657.8000109T263 E264 A265 V266 V303 L309 F312T263-L301 HydrophobicContact CG2-CB 3.61Å; E264-L301 PolarHBondContact O-N 3.38Å; A265-L301 WeakPolarHBondContact CA-O 3.02Å; V266-L301 PolarHBondContact N-O 3.36Å; L301-V303 HydrophobicContact CD1-CG2 4.47Å; L301-V303 HydrophobicContact CD2-CG2 4.22Å; L301-V303 HydrophobicContact CG-CG2 3.81Å; L301-L309 HydrophobicContact CD2-CD2 3.96Å; L301-F312 HydrophobicContact CD1-CB 3.74Å; L301-F312 HydrophobicContact CD1-CD2 3.99Å; L301-F312 HydrophobicContact CD1-CG 3.97Å; L301-F312 HydrophobicContact CD2-CB 4.18Å; L301-F312 HydrophobicContact CD2-CD1 3.9Å; L301-F312 HydrophobicContact CD2-CD2 4.05Å; L301-F312 HydrophobicContact CD2-CE1 4.25Å; L301-F312 HydrophobicContact CD2-CE2 4.4Å; L301-F312 HydrophobicContact CD2-CG 3.77Å; L301-F312 HydrophobicContact CD2-CZ 4.47Å; L301-F312 HydrophobicContact CG-CD2 4.43Å; L301-F312 HydrophobicContact CG-CG 4.44Å
302R89.8Confident92.5Very high68 Ų6855.4 Ų55.426%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-86.7116.5174.8-172.8164-177.6176.81.9109.3V266 T268 A269 A271 R304 D308V266-R302 HydrophobicContact CG2-CB 4.41Å; V266-R302 HydrophobicContact CG2-CG 4.45Å; T268-R302 PolarHBondContact O-NE 2.76Å; T268-R302 PolarHBondContact O-NH2 3.22Å; A269-R302 PolarHBondContact O-NH2 2.82Å; A271-R302 VanDerWaalsContact CB-CZ 3.48Å; R302-R304 HydrophobicContact CG-CG 4.26Å; R302-D308 WeakPolarHBondContact O-CB 3.44Å
303V89.7Confident92.3Very high18 Ų1855.1 Ų55.111%0.10930%0.304CS..  trans-105.1104.9-176.3-174.70000109.3V266 L301 L309 L339V266-V303 PolarHBondContact O-N 3.03Å; L301-V303 HydrophobicContact CD1-CG2 4.47Å; L301-V303 HydrophobicContact CD2-CG2 4.22Å; L301-V303 HydrophobicContact CG-CG2 3.81Å; V303-L309 HydrophobicContact CG1-CD1 4.02Å; V303-L309 HydrophobicContact CG1-CD2 4.1Å; V303-L309 HydrophobicContact CG1-CG 3.9Å; V303-L309 HydrophobicContact CG2-CD2 3.67Å; V303-L309 HydrophobicContact CG2-CG 4.34Å; V303-L339 HydrophobicContact CB-CD1 3.73Å; V303-L339 HydrophobicContact CG1-CD1 3.85Å; V303-L339 HydrophobicContact CG2-CD1 3.79Å
304R88.2Confident92.1Very high176 Ų17658.4 Ų58.466%0.66432%0.316SS*.SBendtrans-107.4-30.5174-53.6172.8-173.2145.9-3.6110.9R302 D308R302-R304 HydrophobicContact CG-CG 4.26Å; R304-D308 WeakPolarHBondContact CA-OD2 3.25Å; R304-D308 WeakPolarHBondContact CB-OD2 3.47Å; R304-D308 PolarHBondContact N-OD2 3.22Å
305S89.2Confident91.6Very high46 Ų4662.5 Ų62.532%0.32235%0.345SS..SBendtrans-150.8173.5178.669.70000112E307 D308S305-E307 WeakPolarHBondContact CB-OE2 3.42Å; S305-E307 PolarHBondContact O-N 2.8Å; S305-E307 PolarHBondContact OG-OE2 2.77Å; S305-D308 PolarHBondContact N-OD2 2.96Å; S305-D308 VanDerWaalsContact N-OD2 3.12Å; S305-D308 PolarHBondContact O-N 3.49Å
306D90.9Very high90.7Very high62 Ų6260.4 Ų60.433%0.33233%0.332SS..Hα-helixtrans-60.7-29.3176.2-79.98.1000111.8D308 L309 H310 R345 I346D306-D308 VanDerWaalsContact C-N 3.32Å; D306-D308 PolarHBondContact O-N 2.73Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.02Å; D306-H310 PolarHBondContact O-N 2.95Å; D306-H310 PolarHBondContact O-ND1 3.46Å; D306-R345 IonicContact OD1-CZ 3.6Å; D306-R345 IonicContact OD1-NH2 3.35Å; D306-R345 PolarHBondContact OD1-NH2 3.14Å; D306-R345 IonicContact OD2-CZ 2.7Å; D306-R345 VanDerWaalsContact OD2-CZ 3.24Å; D306-R345 IonicContact OD2-NH1 3.6Å; D306-R345 PolarHBondContact OD2-NH1 3.05Å; D306-R345 IonicContact OD2-NH2 2.9Å; D306-R345 PolarHBondContact OD2-NH2 2.85Å; D306-I346 HydrophobicContact CB-CD1 3.61Å; D306-I346 WeakPolarHBondContact OD1-CD1 3.32Å
307E92.3Very high88.8Confident134 Ų13463.7 Ų63.763%0.62636%0.358SS*.Hα-helixtrans-62.8-35.6178.3-65.377.7-169.300112.7S305 L309 H310 G311S305-E307 WeakPolarHBondContact CB-OE2 3.42Å; S305-E307 PolarHBondContact O-N 2.8Å; S305-E307 PolarHBondContact OG-OE2 2.77Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 PolarHBondContact O-N 3.45Å; E307-H310 PolarHBondContact O-N 3.38Å; E307-G311 PolarHBondContact O-N 3.47Å
308D92.4Very high87.4Confident49 Ų4964.4 Ų64.426%0.26238%0.375SS..Hα-helixtrans-63-40.9176.2-63.3-44.8000110.7R302 R304 S305 D306 G311 F312R302-D308 WeakPolarHBondContact O-CB 3.44Å; R304-D308 WeakPolarHBondContact CA-OD2 3.25Å; R304-D308 WeakPolarHBondContact CB-OD2 3.47Å; R304-D308 PolarHBondContact N-OD2 3.22Å; S305-D308 PolarHBondContact N-OD2 2.96Å; S305-D308 VanDerWaalsContact N-OD2 3.12Å; S305-D308 PolarHBondContact O-N 3.49Å; D306-D308 VanDerWaalsContact C-N 3.32Å; D306-D308 PolarHBondContact O-N 2.73Å; D308-G311 PolarHBondContact O-N 2.83Å; D308-F312 WeakPolarHBondContact O-CB 3.49Å; D308-F312 PolarHBondContact O-N 3.31Å
309L92.3Very high86.2Confident2 Ų264.8 Ų64.81%0.0138%0.382CS..Hα-helixtrans-68.5-40.2177.1-64.9174.9000111.8L301 V303 D306 E307 F312 A313 I343 I346 L347L301-L309 HydrophobicContact CD2-CD2 3.96Å; V303-L309 HydrophobicContact CG1-CD1 4.02Å; V303-L309 HydrophobicContact CG1-CD2 4.1Å; V303-L309 HydrophobicContact CG1-CG 3.9Å; V303-L309 HydrophobicContact CG2-CD2 3.67Å; V303-L309 HydrophobicContact CG2-CG 4.34Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.02Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 PolarHBondContact O-N 3.45Å; L309-F312 PolarHBondContact O-N 2.89Å; L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 2.85Å; L309-I343 HydrophobicContact CD1-CG1 4.39Å; L309-I343 HydrophobicContact CD2-CG1 3.74Å; L309-I346 HydrophobicContact CB-CB 4.09Å; L309-I346 HydrophobicContact CB-CD1 3.91Å; L309-I346 HydrophobicContact CB-CG2 3.69Å; L309-I346 HydrophobicContact CD1-CB 4.42Å; L309-I346 HydrophobicContact CD1-CD1 3.68Å; L309-I346 HydrophobicContact CG-CD1 4.42Å; L309-L347 HydrophobicContact CB-CD2 4.44Å; L309-L347 WeakPolarHBondContact O-CD2 3.41Å
310H92.3Very high85.9Confident102 Ų10266.1 Ų66.147%0.47239%0.388SS..Hα-helixtrans-66.3-39.4174.5-73.985000112.1D306 E307 F312 A313 T314D306-H310 PolarHBondContact O-N 2.95Å; D306-H310 PolarHBondContact O-ND1 3.46Å; E307-H310 PolarHBondContact O-N 3.38Å; H310-F312 VanDerWaalsContact C-N 3.33Å; H310-A313 PolarHBondContact O-N 3.45Å; H310-T314 WeakPolarHBondContact O-CB 3.42Å; H310-T314 PolarHBondContact O-N 3.32Å; H310-T314 PolarHBondContact O-OG1 3.46Å
311G91.8Very high86Confident45 Ų4563.2 Ų63.246%0.46437%0.367SS..Hα-helixtrans-61.1-43.1173.900000111.7E307 D308 T314 S315E307-G311 PolarHBondContact O-N 3.47Å; D308-G311 PolarHBondContact O-N 2.83Å; G311-T314 PolarHBondContact O-N 3Å; G311-S315 PolarHBondContact O-N 3.22Å; G311-S315 VanDerWaalsContact O-N 3.11Å
312F91.9Very high86.2Confident27 Ų2762.7 Ų62.712%0.11836%0.364CS..Hα-helixtrans-65.2-44.6174.2-178.6-98.7000113H231 V233 T263 L301 D308 L309 H310 T314 S315 C316 L347H231-F312 AromaticContact CE1-CZ 3.48Å; H231-F312 VanDerWaalsContact CE1-CZ 3.48Å; H231-F312 WeakPolarHBondContact CE1-CZ 3.42Å; H231-F312 AromaticContact NE2-CZ 3.69Å; V233-F312 HydrophobicContact CG2-CE1 3.68Å; V233-F312 HydrophobicContact CG2-CZ 3.68Å; T263-F312 HydrophobicContact CG2-CE2 3.81Å; T263-F312 HydrophobicContact CG2-CZ 4.03Å; L301-F312 HydrophobicContact CD1-CB 3.74Å; L301-F312 HydrophobicContact CD1-CD2 3.99Å; L301-F312 HydrophobicContact CD1-CG 3.97Å; L301-F312 HydrophobicContact CD2-CB 4.18Å; L301-F312 HydrophobicContact CD2-CD1 3.9Å; L301-F312 HydrophobicContact CD2-CD2 4.05Å; L301-F312 HydrophobicContact CD2-CE1 4.25Å; L301-F312 HydrophobicContact CD2-CE2 4.4Å; L301-F312 HydrophobicContact CD2-CG 3.77Å; L301-F312 HydrophobicContact CD2-CZ 4.47Å; L301-F312 HydrophobicContact CG-CD2 4.43Å; L301-F312 HydrophobicContact CG-CG 4.44Å; D308-F312 WeakPolarHBondContact O-CB 3.49Å; D308-F312 PolarHBondContact O-N 3.31Å; L309-F312 PolarHBondContact O-N 2.89Å; H310-F312 VanDerWaalsContact C-N 3.33Å; F312-T314 PolarHBondContact O-N 3.45Å; F312-S315 PolarHBondContact O-N 3.23Å; F312-S315 VanDerWaalsContact O-N 3.15Å; F312-S315 PolarHBondContact O-OG 3.09Å; F312-C316 VanDerWaalsContact CZ-SG 3.57Å; F312-C316 PolarHBondContact O-N 3.43Å; F312-C316 VanDerWaalsContact O-N 3.13Å; F312-C316 PolarHBondContact O-SG 2.62Å; F312-L347 HydrophobicContact CD1-CD1 3.82Å; F312-L347 HydrophobicContact CD1-CD2 3.87Å; F312-L347 HydrophobicContact CE1-CD1 3.86Å
313A88.6Confident86.6Confident42 Ų4259.4 Ų59.435%0.34735%0.352SS..Hα-helixtrans-59-38.7176.300000111.8L309 H310 C316 L347L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 2.85Å; H310-A313 PolarHBondContact O-N 3.45Å; A313-C316 PolarHBondContact O-N 2.91Å; A313-L347 HydrophobicContact CB-CD2 3.88Å
314T87.5Confident86.9Confident103 Ų10358.7 Ų58.763%0.63235%0.348SS*.Hα-helixtrans-70.1-32.2178-53.30000112.5H310 G311 F312 C316 C317H310-T314 WeakPolarHBondContact O-CB 3.42Å; H310-T314 PolarHBondContact O-N 3.32Å; H310-T314 PolarHBondContact O-OG1 3.46Å; G311-T314 PolarHBondContact O-N 3Å; F312-T314 PolarHBondContact O-N 3.45Å; T314-C316 VanDerWaalsContact C-N 3.34Å; T314-C317 PolarHBondContact O-SG 2.83Å
315S84.6Confident87.2Confident88 Ų8850.3 Ų50.362%0.61532%0.316SS*.Hα-helixtrans-76.4-23.5176.272.70000112.8G311 F312 C317G311-S315 PolarHBondContact O-N 3.22Å; G311-S315 VanDerWaalsContact O-N 3.11Å; F312-S315 PolarHBondContact O-N 3.23Å; F312-S315 VanDerWaalsContact O-N 3.15Å; F312-S315 PolarHBondContact O-OG 3.09Å; S315-C317 VanDerWaalsContact C-N 3.25Å; S315-C317 PolarHBondContact O-N 3.41Å
316C76.2Confident87.4Confident19 Ų1948.9 Ų48.913%0.12831%0.305CS..THydrogen-bonded Turntrans-81.513.9-176.9-69.90000115.4F312 A313 T314 S318 C319F312-C316 VanDerWaalsContact CZ-SG 3.57Å; F312-C316 PolarHBondContact O-N 3.43Å; F312-C316 VanDerWaalsContact O-N 3.13Å; F312-C316 PolarHBondContact O-SG 2.62Å; A313-C316 PolarHBondContact O-N 2.91Å; T314-C316 VanDerWaalsContact C-N 3.34Å; C316-S318 PolarHBondContact O-N 3.21Å; C316-C319 PolarHBondContact O-N 3.16Å
317C56.1Low87.2Confident107 Ų10746 Ų4672%0.72329%0.29SS*.THydrogen-bonded Turntrans-27.4-5.6-171.2-870000122.1T314 S315T314-C317 PolarHBondContact O-SG 2.83Å; S315-C317 VanDerWaalsContact C-N 3.25Å; S315-C317 PolarHBondContact O-N 3.41Å
318S65.7Low86.9Confident120 Ų12042 Ų4284%0.83928%0.275SS*.THydrogen-bonded Turntrans-153.8-3.1176.3-30.60000115.3C316C316-S318 PolarHBondContact O-N 3.21Å
319C72.3Confident86.3Confident43 Ų4341 Ų4129%0.29127%0.269SS..PPolyproline II helixtrans-101.2127-176.3-63.80000109.7H231 C316H231-C319 HydrophobicContact CB-CB 4.36Å; C316-C319 PolarHBondContact O-N 3.16Å
320S87.6Confident85.3Confident51 Ų5141.1 Ų41.136%0.35727%0.27SS..PPolyproline II helixtrans-71.9134.1170.7-156.20000110K350S320-K350 WeakPolarHBondContact OG-CB 3.3Å; S320-K350 WeakPolarHBondContact OG-CD 3.2Å; S320-K350 WeakPolarHBondContact OG-CG 3.34Å
321V94.3Very high84.2Confident14 Ų1438.2 Ų38.29%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-99133.5-174.9176.40000110V233 V323 P349 K350V233-V321 HydrophobicContact CB-CG1 4.15Å; V233-V321 HydrophobicContact CG2-CG1 3.59Å; V321-V323 HydrophobicContact CG1-CG2 4.32Å; V321-P349 WeakPolarHBondContact O-CA 3.22Å; V321-P349 VanDerWaalsContact O-CB 3.25Å; V321-P349 WeakPolarHBondContact O-CB 3.45Å; V321-K350 PolarHBondContact O-N 3.38Å
322V96.9Very high83.4Confident0 Ų037.5 Ų37.50%024%0.243CC..EExtended strand (participates in β ladder)trans-102.6137.6165.4179.20000108.5I220 T224 H231 V232 V233 K350 L351I220-V322 HydrophobicContact CG1-CG1 3.99Å; T224-V322 HydrophobicContact CG2-CG2 3.58Å; H231-V322 PolarHBondContact O-N 3.05Å; V232-V322 CarbonylContact C-O 3.53Å; V232-V322 WeakPolarHBondContact CA-O 3.47Å; V232-V322 HydrophobicContact CG2-CB 4.36Å; V233-V322 PolarHBondContact N-O 3.23Å; V322-K350 HydrophobicContact CG2-CG 4.34Å; V322-L351 WeakPolarHBondContact CA-O 3.45Å; V322-L351 HydrophobicContact CG1-CB 4.03Å; V322-L351 HydrophobicContact CG1-CD2 3.95Å; V322-L351 HydrophobicContact CG1-CG 4.32Å; V322-L351 HydrophobicContact CG2-CB 4.1Å; V322-L351 HydrophobicContact CG2-CD2 4.45Å
323V97Very high82.7Confident0 Ų036.3 Ų36.30%024%0.237CC..EExtended strand (participates in β ladder)trans-107.1129.6175.1173.90000109.4V233 L235 V321 L340 I343 P349 L351 V352 V353V233-V323 HydrophobicContact CB-CG2 4.35Å; V233-V323 VanDerWaalsContact O-CA 3.31Å; V233-V323 WeakPolarHBondContact O-CA 3.45Å; L235-V323 HydrophobicContact CD1-CG1 3.84Å; V321-V323 HydrophobicContact CG1-CG2 4.32Å; V323-L340 HydrophobicContact CG1-CD1 3.55Å; V323-I343 HydrophobicContact CB-CG2 4.46Å; V323-I343 HydrophobicContact CG1-CG2 4.11Å; V323-I343 HydrophobicContact CG2-CG2 3.52Å; V323-P349 HydrophobicContact CB-CB 4.35Å; V323-P349 HydrophobicContact CB-CG 4.26Å; V323-P349 HydrophobicContact CG2-CB 3.67Å; V323-P349 HydrophobicContact CG2-CG 3.72Å; V323-L351 PolarHBondContact N-O 3.01Å; V323-V352 HydrophobicContact CB-CG1 4.35Å; V323-V352 HydrophobicContact CB-CG2 4.33Å; V323-V352 HydrophobicContact CG1-CG1 4.31Å; V323-V352 CarbonylContact O-C 3.6Å; V323-V352 WeakPolarHBondContact O-CA 3.44Å; V323-V353 PolarHBondContact O-N 3.4Å
324S96.9Very high82.2Confident3 Ų334.6 Ų34.62%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-114.4132.5173.3171.80000109V233 D234 L235 V353V233-S324 PolarHBondContact O-N 2.79Å; D234-S324 WeakPolarHBondContact CA-O 3.44Å; D234-S324 WeakPolarHBondContact OD2-CB 3.45Å; D234-S324 VanDerWaalsContact OD2-O 3.13Å; D234-S324 PolarHBondContact OD2-OG 3.35Å; L235-S324 WeakPolarHBondContact CD1-O 3.44Å; L235-S324 PolarHBondContact N-O 2.84Å; L235-S324 VanDerWaalsContact N-O 3.08Å; S324-V353 WeakPolarHBondContact CA-O 3.44Å
325C94.4Very high81.8Confident0 Ų031.7 Ų31.70%021%0.207CC..EExtended strand (participates in β ladder)trans-142.5105.9-179.5-174.50000110.2L235 T327 L340 V353 T354 T355L235-C325 HydrophobicContact CB-CB 4.44Å; L235-C325 HydrophobicContact CD2-CB 4.22Å; C325-T327 WeakPolarHBondContact SG-CG2 3.31Å; C325-L340 HydrophobicContact CB-CD1 4.25Å; C325-L340 HydrophobicContact CB-CD2 3.8Å; C325-V353 PolarHBondContact N-O 3.12Å; C325-T354 HydrophobicContact CB-CG2 4.41Å; C325-T354 CarbonylContact O-C 3.56Å; C325-T354 VanDerWaalsContact O-CA 3.29Å; C325-T354 WeakPolarHBondContact O-CA 3.47Å; C325-T355 PolarHBondContact O-N 3.13Å
326D92.7Very high81.8Confident15 Ų1528.3 Ų28.38%0.0818%0.181CC..EExtended strand (participates in β ladder)trans-91.1115.8169-164.7-23.9000110.4N236 T328 L336N236-D326 HydrophobicContact CB-CB 4.42Å; D326-T328 WeakPolarHBondContact OD1-CB 3.4Å; D326-T328 VanDerWaalsContact OD1-CG2 3.31Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.22Å; D326-T328 PolarHBondContact OD1-N 3.26Å; D326-T328 PolarHBondContact OD1-OG1 3.33Å; D326-L336 WeakPolarHBondContact O-CD1 3.48Å
327T87.1Confident82.2Confident3 Ų328 Ų282%0.01818%0.179CC..  trans-10915.8-179.265.90000113.2C325 D329 Y333 L336 T355C325-T327 WeakPolarHBondContact SG-CG2 3.31Å; T327-D329 PolarHBondContact O-N 3.45Å; T327-Y333 HydrophobicContact CG2-CD2 4.32Å; T327-L336 HydrophobicContact CG2-CB 4.29Å; T327-T355 PolarHBondContact N-O 3.19Å; T327-T355 PolarHBondContact OG1-O 3.04Å
328T86Confident83.5Confident50 Ų5029.5 Ų29.531%0.30717%0.174SC..  trans-67.8-19.2177.362.20000113.4D326 I330 T355D326-T328 WeakPolarHBondContact OD1-CB 3.4Å; D326-T328 VanDerWaalsContact OD1-CG2 3.31Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.22Å; D326-T328 PolarHBondContact OD1-N 3.26Å; D326-T328 PolarHBondContact OD1-OG1 3.33Å; T328-I330 PolarHBondContact O-N 3.39Å; T328-I330 VanDerWaalsContact O-N 3.09Å; T328-T355 HydrophobicContact CG2-CG2 3.84Å
329D79.5Confident84.6Confident27 Ų2724.3 Ų24.314%0.14414%0.136CC..  trans-75.297.4163.9-173.6-0.7000109.7T327 R331 S332 Y333T327-D329 PolarHBondContact O-N 3.45Å; D329-R331 PolarHBondContact O-N 3.03Å; D329-R331 VanDerWaalsContact O-N 3.13Å; D329-R331 VanDerWaalsContact OD1-CB 3.31Å; D329-R331 WeakPolarHBondContact OD1-CB 3.33Å; D329-R331 IonicContact OD1-CZ 3.81Å; D329-R331 PolarHBondContact OD1-N 3.1Å; D329-R331 IonicContact OD1-NE 3.88Å; D329-R331 PolarHBondContact OD1-NE 2.9Å; D329-R331 IonicContact OD1-NH2 2.77Å; D329-R331 PolarHBondContact OD1-NH2 3.01Å; D329-R331 IonicContact OD2-CZ 2.87Å; D329-R331 IonicContact OD2-NE 2.79Å; D329-R331 IonicContact OD2-NH2 2.73Å; D329-R331 PolarHBondContact OD2-NH2 3.13Å; D329-S332 PolarHBondContact O-N 2.86Å; D329-S332 PolarHBondContact OD2-OG 2.97Å; D329-Y333 PolarHBondContact O-N 2.7Å; D329-Y333 VanDerWaalsContact O-N 3.1Å
330I71.3Confident85.5Confident4 Ų422.2 Ų22.22%0.02112%0.122CC..THydrogen-bonded Turntrans-51.8-36.4177.5-60.1-169.2000111T328 S332 Y333 L360 F385 T416 A420 V430T328-I330 PolarHBondContact O-N 3.39Å; T328-I330 VanDerWaalsContact O-N 3.09Å; I330-S332 PolarHBondContact O-N 3.09Å; I330-Y333 WeakPolarHBondContact O-CB 3.48Å; I330-Y333 PolarHBondContact O-N 3.33Å; I330-L360 HydrophobicContact CD1-CD2 4.15Å; I330-L360 HydrophobicContact CG1-CD1 4.31Å; I330-L360 HydrophobicContact CG1-CD2 4.29Å; I330-F385 HydrophobicContact CD1-CZ 4.25Å; I330-T416 HydrophobicContact CB-CG2 4.41Å; I330-T416 HydrophobicContact CD1-CG2 3.54Å; I330-T416 HydrophobicContact CG1-CG2 3.98Å; I330-A420 HydrophobicContact CD1-CB 4.23Å; I330-V430 HydrophobicContact CG2-CB 4.16Å; I330-V430 HydrophobicContact CG2-CG1 3.68Å; I330-V430 HydrophobicContact CG2-CG2 4.25Å; I330-V430 WeakPolarHBondContact O-CG2 3.27Å
331R70.4Confident85.6Confident42 Ų4222.2 Ų22.216%0.15813%0.125CC..THydrogen-bonded Turntrans-63.4-33.3-178.6-60.3-179.7-59.3-105.5-9.4112.7D329 D419D329-R331 PolarHBondContact O-N 3.03Å; D329-R331 VanDerWaalsContact O-N 3.13Å; D329-R331 VanDerWaalsContact OD1-CB 3.31Å; D329-R331 WeakPolarHBondContact OD1-CB 3.33Å; D329-R331 IonicContact OD1-CZ 3.81Å; D329-R331 PolarHBondContact OD1-N 3.1Å; D329-R331 IonicContact OD1-NE 3.88Å; D329-R331 PolarHBondContact OD1-NE 2.9Å; D329-R331 IonicContact OD1-NH2 2.77Å; D329-R331 PolarHBondContact OD1-NH2 3.01Å; D329-R331 IonicContact OD2-CZ 2.87Å; D329-R331 IonicContact OD2-NE 2.79Å; D329-R331 IonicContact OD2-NH2 2.73Å; D329-R331 PolarHBondContact OD2-NH2 3.13Å; R331-D419 VanDerWaalsContact CG-OD2 3.29Å; R331-D419 WeakPolarHBondContact CG-OD2 3.29Å
332S74.7Confident85.4Confident30 Ų3022.1 Ų22.121%0.2113%0.127CC..THydrogen-bonded Turntrans-95.7-12.9-175.7-60.10000112.5D329 I330 S334 S335 L336D329-S332 PolarHBondContact O-N 2.86Å; D329-S332 PolarHBondContact OD2-OG 2.97Å; I330-S332 PolarHBondContact O-N 3.09Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.28Å; S332-S334 VanDerWaalsContact O-N 3.17Å; S332-S335 PolarHBondContact O-N 3.3Å; S332-S335 VanDerWaalsContact O-N 3.14Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.32Å; S332-L336 PolarHBondContact O-N 3.35Å
333Y77.5Confident85.2Confident1 Ų122.1 Ų22.10%0.00413%0.127CC..Hα-helixtrans-49.8-46.2-172.2177.7-84000114.1T327 D329 I330 L336 T337 L360 R364 V430 A434T327-Y333 HydrophobicContact CG2-CD2 4.32Å; D329-Y333 PolarHBondContact O-N 2.7Å; D329-Y333 VanDerWaalsContact O-N 3.1Å; I330-Y333 WeakPolarHBondContact O-CB 3.48Å; I330-Y333 PolarHBondContact O-N 3.33Å; Y333-L336 PolarHBondContact O-N 3.01Å; Y333-T337 HydrophobicContact CD1-CG2 4.04Å; Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 3.7Å; Y333-T337 HydrophobicContact CE2-CG2 3.95Å; Y333-T337 HydrophobicContact CG-CG2 4.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.33Å; Y333-T337 VanDerWaalsContact O-CG2 3.3Å; Y333-T337 WeakPolarHBondContact O-CG2 3.42Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.5Å; Y333-L360 HydrophobicContact CD2-CD1 3.26Å; Y333-L360 HydrophobicContact CE2-CB 4.24Å; Y333-L360 HydrophobicContact CE2-CD1 3.56Å; Y333-L360 HydrophobicContact CG-CD1 3.98Å; Y333-R364 PolarHBondContact OH-NH2 3.36Å; Y333-V430 HydrophobicContact CD1-CB 4.11Å; Y333-V430 HydrophobicContact CD1-CG1 3.51Å; Y333-V430 HydrophobicContact CD1-CG2 4.32Å; Y333-V430 HydrophobicContact CD2-CG1 4.29Å; Y333-V430 HydrophobicContact CE1-CG1 4.22Å; Y333-V430 HydrophobicContact CG-CB 4.49Å; Y333-V430 HydrophobicContact CG-CG1 3.55Å; Y333-A434 HydrophobicContact CE1-CB 4.18Å; Y333-A434 PolarHBondContact OH-O 2.94Å
334S76.3Confident85Confident7 Ų722.4 Ų22.45%0.04913%0.129CC..Hα-helixtrans-70-36.9-17669.50000113.1T184 S332 T337 K338 G428T184-S334 PolarHBondContact OG1-OG 2.89Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.28Å; S332-S334 VanDerWaalsContact O-N 3.17Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-OG1 3.45Å; S334-K338 VanDerWaalsContact O-CG 3.26Å; S334-K338 WeakPolarHBondContact O-CG 3.27Å; S334-K338 PolarHBondContact O-N 2.85Å; S334-G428 WeakPolarHBondContact CB-O 3.43Å; S334-G428 PolarHBondContact OG-O 3.06Å
335S80Confident84.7Confident41 Ų4128.2 Ų28.229%0.28715%0.15SC..Hα-helixtrans-68.9-43.4174.3-63.40000110.6S332 K338 L339S332-S335 PolarHBondContact O-N 3.3Å; S332-S335 VanDerWaalsContact O-N 3.14Å; S335-K338 PolarHBondContact O-N 2.9Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 PolarHBondContact O-N 2.9Å
336L84.5Confident84.5Confident17 Ų1729.4 Ų29.49%0.08916%0.156CC..Hα-helixtrans-66.3-42.3178.9-66.7176.4000112.6L235 D326 T327 S332 Y333 L339 L340L235-L336 HydrophobicContact CB-CD2 4.01Å; L235-L336 WeakPolarHBondContact O-CD2 3.31Å; D326-L336 WeakPolarHBondContact O-CD1 3.48Å; T327-L336 HydrophobicContact CG2-CB 4.29Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.32Å; S332-L336 PolarHBondContact O-N 3.35Å; Y333-L336 PolarHBondContact O-N 3.01Å; L336-L339 PolarHBondContact O-N 3.38Å; L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 PolarHBondContact O-N 3.3Å
337T84Confident84.5Confident14 Ų1429.8 Ų29.89%0.08616%0.158CC..Hα-helixtrans-67.2-38.6178.248.20000112.5Y333 S334 L340 A341 L436Y333-T337 HydrophobicContact CD1-CG2 4.04Å; Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 3.7Å; Y333-T337 HydrophobicContact CE2-CG2 3.95Å; Y333-T337 HydrophobicContact CG-CG2 4.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.33Å; Y333-T337 VanDerWaalsContact O-CG2 3.3Å; Y333-T337 WeakPolarHBondContact O-CG2 3.42Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.5Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-OG1 3.45Å; T337-L340 PolarHBondContact O-N 3.28Å; T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.47Å; T337-L436 HydrophobicContact CG2-CD1 4.08Å
338K85Confident84.7Confident138 Ų13839 Ų3960%0.619%0.193SC*.Hα-helixtrans-63.9-45.4172.1-73.3172.7-173.9171.80111.9S334 S335 L340 A341 G342S334-K338 VanDerWaalsContact O-CG 3.26Å; S334-K338 WeakPolarHBondContact O-CG 3.27Å; S334-K338 PolarHBondContact O-N 2.85Å; S335-K338 PolarHBondContact O-N 2.9Å; K338-L340 VanDerWaalsContact C-N 3.34Å; K338-A341 PolarHBondContact O-N 2.78Å; K338-G342 PolarHBondContact O-N 3.05Å; K338-G342 VanDerWaalsContact O-N 3.09Å
339L88.3Confident85.1Confident10 Ų1036.7 Ų36.75%0.05218%0.179CC..Hα-helixtrans-59.5-47.3175.9177.457.5000110.9L235 A265 V267 V303 S335 L336 A341 G342 I343L235-L339 HydrophobicContact CB-CD2 4.33Å; L235-L339 HydrophobicContact CD2-CB 4.15Å; L235-L339 HydrophobicContact CD2-CD2 3.8Å; L235-L339 HydrophobicContact CD2-CG 3.78Å; L235-L339 HydrophobicContact CG-CD2 3.69Å; L235-L339 HydrophobicContact CG-CG 4.09Å; A265-L339 HydrophobicContact CB-CD2 4.31Å; V267-L339 HydrophobicContact CG2-CB 3.93Å; V267-L339 HydrophobicContact CG2-CD1 3.61Å; V267-L339 HydrophobicContact CG2-CD2 3.78Å; V267-L339 HydrophobicContact CG2-CG 3.95Å; V303-L339 HydrophobicContact CB-CD1 3.73Å; V303-L339 HydrophobicContact CG1-CD1 3.85Å; V303-L339 HydrophobicContact CG2-CD1 3.79Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 PolarHBondContact O-N 2.9Å; L336-L339 PolarHBondContact O-N 3.38Å; L339-A341 PolarHBondContact O-N 3.39Å; L339-G342 PolarHBondContact O-N 2.97Å; L339-I343 HydrophobicContact CD1-CD1 3.82Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 3.84Å; L339-I343 WeakPolarHBondContact O-CB 3.48Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.17Å
340L91.7Very high85.9Confident0 Ų037.9 Ų37.90%018%0.182CC..Hα-helixtrans-59.8-45178.518055.9000111.4L235 V323 C325 L336 T337 K338 G342 I343 V344 V352 T354 L436 L438L235-L340 HydrophobicContact CD2-CB 3.77Å; L235-L340 HydrophobicContact CD2-CD1 4.35Å; V323-L340 HydrophobicContact CG1-CD1 3.55Å; C325-L340 HydrophobicContact CB-CD1 4.25Å; C325-L340 HydrophobicContact CB-CD2 3.8Å; L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 PolarHBondContact O-N 3.3Å; T337-L340 PolarHBondContact O-N 3.28Å; K338-L340 VanDerWaalsContact C-N 3.34Å; L340-G342 PolarHBondContact O-N 3.07Å; L340-I343 PolarHBondContact O-N 3.34Å; L340-V344 HydrophobicContact CD1-CG2 3.76Å; L340-V344 HydrophobicContact CG-CG2 4.34Å; L340-V344 VanDerWaalsContact O-CB 3.31Å; L340-V344 WeakPolarHBondContact O-CB 3.31Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.21Å; L340-V344 PolarHBondContact O-N 3.25Å; L340-V352 HydrophobicContact CD1-CG1 3.99Å; L340-T354 HydrophobicContact CD2-CG2 3.84Å; L340-L436 HydrophobicContact CD2-CD1 3.4Å; L340-L436 HydrophobicContact CD2-CD2 4.14Å; L340-L436 HydrophobicContact CD2-CG 4.32Å; L340-L436 HydrophobicContact CG-CD1 4.2Å; L340-L438 HydrophobicContact CD2-CD2 4.18Å; L340-L438 HydrophobicContact CG-CD2 4.05Å
341A89.7Confident87Confident51 Ų5137.8 Ų37.842%0.42118%0.182SC..Hα-helixtrans-60.3-43.3176.300000112.3T337 K338 L339 R345T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.47Å; K338-A341 PolarHBondContact O-N 2.78Å; L339-A341 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.34Å; A341-R345 PolarHBondContact O-N 3.28Å
342G90.3Very high88.3Confident12 Ų1235.8 Ų35.812%0.12417%0.174CC..Hα-helixtrans-62-47.2174.800000112.7K338 L339 L340 R345 I346K338-G342 PolarHBondContact O-N 3.05Å; K338-G342 VanDerWaalsContact O-N 3.09Å; L339-G342 PolarHBondContact O-N 2.97Å; L340-G342 PolarHBondContact O-N 3.07Å; G342-R345 PolarHBondContact O-N 3.47Å; G342-I346 PolarHBondContact O-N 2.6Å; G342-I346 VanDerWaalsContact O-N 3.1Å
343I91.9Very high89.3Confident0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-60-48.1177.2-79.2173.1000111.2V233 L235 A265 L309 V323 L339 L340 R345 I346 L347V233-I343 HydrophobicContact CG1-CD1 4.23Å; L235-I343 HydrophobicContact CD1-CD1 3.72Å; L235-I343 HydrophobicContact CD2-CD1 4.26Å; L235-I343 HydrophobicContact CG-CD1 4.1Å; A265-I343 HydrophobicContact CB-CD1 3.98Å; L309-I343 HydrophobicContact CD1-CG1 4.39Å; L309-I343 HydrophobicContact CD2-CG1 3.74Å; V323-I343 HydrophobicContact CB-CG2 4.46Å; V323-I343 HydrophobicContact CG1-CG2 4.11Å; V323-I343 HydrophobicContact CG2-CG2 3.52Å; L339-I343 HydrophobicContact CD1-CD1 3.82Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 3.84Å; L339-I343 WeakPolarHBondContact O-CB 3.48Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.17Å; L340-I343 PolarHBondContact O-N 3.34Å; I343-R345 PolarHBondContact O-N 3.1Å; I343-I346 PolarHBondContact O-N 2.96Å; I343-L347 HydrophobicContact CG2-CD1 3.97Å; I343-L347 HydrophobicContact CG2-CG 4.29Å; I343-L347 WeakPolarHBondContact O-CA 3.36Å; I343-L347 VanDerWaalsContact O-CB 3.25Å; I343-L347 WeakPolarHBondContact O-CB 3.44Å; I343-L347 PolarHBondContact O-N 2.89Å
344V92.4Very high90.2Very high6 Ų634.4 Ų34.44%0.03617%0.165CC..Hα-helixtrans-64.6-42.8-177.2165.50000111.2L340 I346 R348 P349 V352 L438 F441L340-V344 HydrophobicContact CD1-CG2 3.76Å; L340-V344 HydrophobicContact CG-CG2 4.34Å; L340-V344 VanDerWaalsContact O-CB 3.31Å; L340-V344 WeakPolarHBondContact O-CB 3.31Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.21Å; L340-V344 PolarHBondContact O-N 3.25Å; V344-I346 PolarHBondContact O-N 3.49Å; V344-R348 WeakPolarHBondContact O-CA 3.39Å; V344-R348 PolarHBondContact O-N 3.47Å; V344-P349 HydrophobicContact CG2-CG 4.29Å; V344-V352 HydrophobicContact CG2-CG2 3.79Å; V344-L438 HydrophobicContact CG1-CB 4.47Å; V344-L438 HydrophobicContact CG1-CD2 4.46Å; V344-L438 HydrophobicContact CG2-CD2 4.07Å; V344-F441 HydrophobicContact CG1-CD2 3.54Å; V344-F441 HydrophobicContact CG1-CE2 3.31Å; V344-F441 HydrophobicContact CG1-CG 4.45Å; V344-F441 HydrophobicContact CG1-CZ 4.01Å
345R90.7Very high91.1Very high125 Ų12534.3 Ų34.347%0.47216%0.164SC..Hα-helixtrans-62.4-42177.4179176.153.584.12.6112.9D306 A341 G342 I343D306-R345 IonicContact OD1-CZ 3.6Å; D306-R345 IonicContact OD1-NH2 3.35Å; D306-R345 PolarHBondContact OD1-NH2 3.14Å; D306-R345 IonicContact OD2-CZ 2.7Å; D306-R345 VanDerWaalsContact OD2-CZ 3.24Å; D306-R345 IonicContact OD2-NH1 3.6Å; D306-R345 PolarHBondContact OD2-NH1 3.05Å; D306-R345 IonicContact OD2-NH2 2.9Å; D306-R345 PolarHBondContact OD2-NH2 2.85Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.34Å; A341-R345 PolarHBondContact O-N 3.28Å; G342-R345 PolarHBondContact O-N 3.47Å; I343-R345 PolarHBondContact O-N 3.1Å
346I91.6Very high91.6Very high24 Ų2432.5 Ų32.512%0.12315%0.151CC..Hα-helixtrans-93.2-49.9-172-65.7168.5000112.4D306 L309 G342 I343 V344 R348D306-I346 HydrophobicContact CB-CD1 3.61Å; D306-I346 WeakPolarHBondContact OD1-CD1 3.32Å; L309-I346 HydrophobicContact CB-CB 4.09Å; L309-I346 HydrophobicContact CB-CD1 3.91Å; L309-I346 HydrophobicContact CB-CG2 3.69Å; L309-I346 HydrophobicContact CD1-CB 4.42Å; L309-I346 HydrophobicContact CD1-CD1 3.68Å; L309-I346 HydrophobicContact CG-CD1 4.42Å; G342-I346 PolarHBondContact O-N 2.6Å; G342-I346 VanDerWaalsContact O-N 3.1Å; I343-I346 PolarHBondContact O-N 2.96Å; V344-I346 PolarHBondContact O-N 3.49Å; I346-R348 VanDerWaalsContact C-N 3.32Å
347L92Very high91.9Very high23 Ų2332.8 Ų32.812%0.1215%0.152CC..Hα-helixtrans-76.8-21.2-177.3-56.2-166.9000112.6V233 L309 F312 A313 I343 P349V233-L347 HydrophobicContact CG2-CD1 4.41Å; L309-L347 HydrophobicContact CB-CD2 4.44Å; L309-L347 WeakPolarHBondContact O-CD2 3.41Å; F312-L347 HydrophobicContact CD1-CD1 3.82Å; F312-L347 HydrophobicContact CD1-CD2 3.87Å; F312-L347 HydrophobicContact CE1-CD1 3.86Å; A313-L347 HydrophobicContact CB-CD2 3.88Å; I343-L347 HydrophobicContact CG2-CD1 3.97Å; I343-L347 HydrophobicContact CG2-CG 4.29Å; I343-L347 WeakPolarHBondContact O-CA 3.36Å; I343-L347 VanDerWaalsContact O-CB 3.25Å; I343-L347 WeakPolarHBondContact O-CB 3.44Å; I343-L347 PolarHBondContact O-N 2.89Å; L347-P349 VanDerWaalsContact C-N 3.35Å
348R91.4Very high92.2Very high198 Ų19833.6 Ų33.675%0.74716%0.155SC*.  trans43.157.8-177-62.4-173.3176.6-161.4-2111.8V344 I346V344-R348 WeakPolarHBondContact O-CA 3.39Å; V344-R348 PolarHBondContact O-N 3.47Å; I346-R348 VanDerWaalsContact C-N 3.32Å
349P94.7Very high92.3Very high1 Ų127 Ų271%0.00613%0.126CC..  trans-59.4149.4-174.228.4-37.6000111.1V321 V323 V344 L347 L351 V352 F441 P490V321-P349 WeakPolarHBondContact O-CA 3.22Å; V321-P349 VanDerWaalsContact O-CB 3.25Å; V321-P349 WeakPolarHBondContact O-CB 3.45Å; V323-P349 HydrophobicContact CB-CB 4.35Å; V323-P349 HydrophobicContact CB-CG 4.26Å; V323-P349 HydrophobicContact CG2-CB 3.67Å; V323-P349 HydrophobicContact CG2-CG 3.72Å; V344-P349 HydrophobicContact CG2-CG 4.29Å; L347-P349 VanDerWaalsContact C-N 3.35Å; P349-L351 PolarHBondContact O-N 3.48Å; P349-V352 HydrophobicContact CB-CG2 4.45Å; P349-V352 HydrophobicContact CG-CG2 3.52Å; P349-F441 HydrophobicContact CG-CE1 4.19Å; P349-F441 HydrophobicContact CG-CZ 3.89Å; P349-F441 VanDerWaalsContact O-CE1 3.24Å; P349-F441 WeakPolarHBondContact O-CE1 3.48Å; P349-F441 VanDerWaalsContact O-CZ 3.23Å; P349-F441 WeakPolarHBondContact O-CZ 3.42Å; P349-P490 WeakPolarHBondContact O-CG 3.27Å
350K95Very high92Very high52 Ų5226.8 Ų26.823%0.22613%0.125CC..SBendtrans-68.5-23.1176.861.7173.5-87.8174.30112.8G223 D227 S320 V321 V322 P490G223-K350 WeakPolarHBondContact O-CE 3.36Å; G223-K350 PolarHBondContact O-NZ 3.03Å; D227-K350 IonicContact OD1-NZ 2.86Å; D227-K350 PolarHBondContact OD1-NZ 3.13Å; D227-K350 IonicContact OD2-NZ 2.68Å; D227-K350 PolarHBondContact OD2-NZ 3.1Å; S320-K350 WeakPolarHBondContact OG-CB 3.3Å; S320-K350 WeakPolarHBondContact OG-CD 3.2Å; S320-K350 WeakPolarHBondContact OG-CG 3.34Å; V321-K350 PolarHBondContact O-N 3.38Å; V322-K350 HydrophobicContact CG2-CG 4.34Å; K350-P490 VanDerWaalsContact O-CD 3.22Å; K350-P490 WeakPolarHBondContact O-CD 3.25Å
351L95.8Very high91.4Very high2 Ų230.2 Ų30.21%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-149.4135.3-176.4-168.675.4000108.9A219 V322 V323 P349 V353 V487 W488 T489A219-L351 WeakPolarHBondContact O-CD2 3.45Å; V322-L351 WeakPolarHBondContact CA-O 3.45Å; V322-L351 HydrophobicContact CG1-CB 4.03Å; V322-L351 HydrophobicContact CG1-CD2 3.95Å; V322-L351 HydrophobicContact CG1-CG 4.32Å; V322-L351 HydrophobicContact CG2-CB 4.1Å; V322-L351 HydrophobicContact CG2-CD2 4.45Å; V323-L351 PolarHBondContact N-O 3.01Å; P349-L351 PolarHBondContact O-N 3.48Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 4.17Å; L351-V487 HydrophobicContact CD1-CG1 3.41Å; L351-V487 VanDerWaalsContact CD1-CG1 3.41Å; L351-V487 HydrophobicContact CG-CG1 4.18Å; L351-W488 WeakPolarHBondContact CA-O 3.29Å; L351-T489 HydrophobicContact CD1-CG2 3.79Å
352V96.6Very high90.4Very high0 Ų029.2 Ų29.20%013%0.129CC..EExtended strand (participates in β ladder)trans-119.4131.5167.1-174.90000107.6V323 L340 V344 P349 T354 L438 F441 V487 W488V323-V352 HydrophobicContact CB-CG1 4.35Å; V323-V352 HydrophobicContact CB-CG2 4.33Å; V323-V352 HydrophobicContact CG1-CG1 4.31Å; V323-V352 CarbonylContact O-C 3.6Å; V323-V352 WeakPolarHBondContact O-CA 3.44Å; L340-V352 HydrophobicContact CD1-CG1 3.99Å; V344-V352 HydrophobicContact CG2-CG2 3.79Å; P349-V352 HydrophobicContact CB-CG2 4.45Å; P349-V352 HydrophobicContact CG-CG2 3.52Å; V352-T354 HydrophobicContact CG1-CG2 3.89Å; V352-L438 HydrophobicContact CB-CD1 4.03Å; V352-L438 HydrophobicContact CG1-CD1 3.82Å; V352-L438 HydrophobicContact CG2-CD1 4.35Å; V352-F441 HydrophobicContact CG2-CD1 3.99Å; V352-F441 HydrophobicContact CG2-CE1 3.67Å; V352-F441 HydrophobicContact CG2-CZ 4.28Å; V352-V487 CarbonylContact O-C 3.58Å; V352-W488 HydrophobicContact CB-CB 4.15Å; V352-W488 PolarHBondContact N-O 3.34Å; V352-W488 PolarHBondContact O-N 2.99Å
353V96.5Very high89Confident1 Ų129.4 Ų29.41%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-118.1122.8174.6-173.60000107.6A216 A219 I220 V323 S324 C325 L351 V485 V487A216-V353 HydrophobicContact CB-CG1 3.61Å; A219-V353 HydrophobicContact CB-CG2 4.19Å; I220-V353 HydrophobicContact CG1-CG2 4.14Å; V323-V353 PolarHBondContact O-N 3.4Å; S324-V353 WeakPolarHBondContact CA-O 3.44Å; C325-V353 PolarHBondContact N-O 3.12Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 4.17Å; V353-V485 HydrophobicContact CG1-CG1 3.85Å; V353-V487 HydrophobicContact CG1-CG2 4.39Å; V353-V487 HydrophobicContact CG2-CG2 4.38Å
354T95.3Very high87.8Confident1 Ų132 Ų321%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-121.9130.9-177.257.10000110.5C325 L340 V352 L436 V485 S486 W488C325-T354 HydrophobicContact CB-CG2 4.41Å; C325-T354 CarbonylContact O-C 3.56Å; C325-T354 VanDerWaalsContact O-CA 3.29Å; C325-T354 WeakPolarHBondContact O-CA 3.47Å; L340-T354 HydrophobicContact CD2-CG2 3.84Å; V352-T354 HydrophobicContact CG1-CG2 3.89Å; T354-L436 HydrophobicContact CG2-CD2 3.54Å; T354-V485 WeakPolarHBondContact O-CA 3.49Å; T354-S486 PolarHBondContact N-O 2.6Å; T354-S486 PolarHBondContact O-N 3.15Å; T354-S486 PolarHBondContact OG1-O 3.39Å; T354-W488 PolarHBondContact OG1-NE1 2.94Å
355T94.9Very high85.9Confident4 Ų435.1 Ų35.13%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-102.7129.3167.8-51.80000108.3A212 C325 T327 T328 S484 V485A212-T355 HydrophobicContact CB-CG2 3.66Å; C325-T355 PolarHBondContact O-N 3.13Å; T327-T355 PolarHBondContact N-O 3.19Å; T327-T355 PolarHBondContact OG1-O 3.04Å; T328-T355 HydrophobicContact CG2-CG2 3.84Å; T355-S484 WeakPolarHBondContact CA-O 3.46Å; T355-V485 HydrophobicContact CG2-CG2 4.34Å
356E91.2Very high84.1Confident3 Ų337 Ų371%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-131.6142-177.5-59-177.4133.100110R364 R472 T483 S484E356-R364 IonicContact OE1-CZ 2.95Å; E356-R364 IonicContact OE1-NH1 3.58Å; E356-R364 PolarHBondContact OE1-NH1 3.24Å; E356-R364 IonicContact OE1-NH2 2.86Å; E356-R364 PolarHBondContact OE1-NH2 3.33Å; E356-R364 IonicContact OE2-NH1 3.24Å; E356-R364 PolarHBondContact OE2-NH1 2.7Å; E356-R472 IonicContact OE2-CZ 3.25Å; E356-R472 IonicContact OE2-NH1 3.63Å; E356-R472 PolarHBondContact OE2-NH1 3.45Å; E356-R472 IonicContact OE2-NH2 3.18Å; E356-T483 WeakPolarHBondContact O-CA 3.43Å; E356-T483 PolarHBondContact O-OG1 2.99Å; E356-S484 PolarHBondContact N-O 2.95Å; E356-S484 PolarHBondContact O-N 3.08Å
357E90.8Very high82.3Confident24 Ų2442.1 Ų42.111%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-75.8133.7164.4-173.4160-169.900110L359 L360 H384E357-L359 HydrophobicContact CG-CB 4.38Å; E357-L359 PolarHBondContact O-N 3.23Å; E357-L360 HydrophobicContact CB-CD1 4.36Å; E357-L360 HydrophobicContact CB-CG 4.27Å; E357-L360 WeakPolarHBondContact O-CB 3.49Å; E357-L360 PolarHBondContact O-N 2.79Å; E357-H384 IonicContact OE1-CD2 3.18Å; E357-H384 IonicContact OE1-CE1 2.71Å; E357-H384 IonicContact OE1-NE2 3.22Å; E357-H384 PolarHBondContact OE1-NE2 2.87Å
358E89.7Confident80.3Confident31 Ų3145.3 Ų45.315%0.14524%0.244CC..G310 helixtrans-64.8-31.1-169.8-165.167.5-164.600112.5L360 R361 R472 P481 L482 S484E358-L360 PolarHBondContact O-N 2.85Å; E358-L360 VanDerWaalsContact O-N 3.16Å; E358-R361 WeakPolarHBondContact O-CB 3.42Å; E358-R361 PolarHBondContact O-N 2.79Å; E358-R361 IonicContact OE1-CZ 3.87Å; E358-R361 IonicContact OE1-NE 3.62Å; E358-R361 IonicContact OE1-NH1 3.79Å; E358-R361 PolarHBondContact OE1-NH1 3.11Å; E358-R361 IonicContact OE2-NH1 3.34Å; E358-R472 IonicContact OE2-NH2 2.66Å; E358-R472 PolarHBondContact OE2-NH2 3.36Å; E358-P481 HydrophobicContact CG-CB 3.98Å; E358-L482 WeakPolarHBondContact CB-O 3.41Å; E358-L482 PolarHBondContact N-O 3.08Å; E358-S484 PolarHBondContact OE2-OG 3.21Å
359L88.6Confident78.8Confident0 Ų038.4 Ų38.40%023%0.229CC..G310 helixtrans-53.3-36.7174.317958.1000112.6E357 R361 A362 F377 E380 A381 H384 F385E357-L359 HydrophobicContact CG-CB 4.38Å; E357-L359 PolarHBondContact O-N 3.23Å; L359-R361 PolarHBondContact O-N 2.54Å; L359-A362 WeakPolarHBondContact O-CB 3.31Å; L359-A362 PolarHBondContact O-N 3.38Å; L359-F377 HydrophobicContact CD1-CD2 4.32Å; L359-F377 HydrophobicContact CD1-CE2 3.65Å; L359-F377 HydrophobicContact CD1-CZ 4.07Å; L359-F377 HydrophobicContact CD2-CE2 4.36Å; L359-F377 HydrophobicContact CD2-CZ 4.06Å; L359-F377 HydrophobicContact CG-CE2 3.84Å; L359-F377 HydrophobicContact CG-CZ 4.06Å; L359-E380 HydrophobicContact CD1-CB 4.49Å; L359-E380 HydrophobicContact CD1-CG 3.98Å; L359-A381 HydrophobicContact CD1-CB 3.89Å; L359-A381 HydrophobicContact CD2-CB 3.95Å; L359-H384 HydrophobicContact CB-CB 4.4Å; L359-H384 HydrophobicContact CD1-CB 4.34Å; L359-F385 HydrophobicContact CD2-CD2 4.19Å; L359-F385 HydrophobicContact CD2-CE2 3.4Å; L359-F385 HydrophobicContact CD2-CZ 3.67Å
360L81.3Confident77.4Confident4 Ų442.6 Ų42.62%0.02126%0.264CS..G310 helixtrans-71.1-13.8-177.8-54.7-174.4000112.6I330 Y333 E357 E358 V430 T431I330-L360 HydrophobicContact CD1-CD2 4.15Å; I330-L360 HydrophobicContact CG1-CD1 4.31Å; I330-L360 HydrophobicContact CG1-CD2 4.29Å; Y333-L360 HydrophobicContact CD2-CD1 3.26Å; Y333-L360 HydrophobicContact CE2-CB 4.24Å; Y333-L360 HydrophobicContact CE2-CD1 3.56Å; Y333-L360 HydrophobicContact CG-CD1 3.98Å; E357-L360 HydrophobicContact CB-CD1 4.36Å; E357-L360 HydrophobicContact CB-CG 4.27Å; E357-L360 WeakPolarHBondContact O-CB 3.49Å; E357-L360 PolarHBondContact O-N 2.79Å; E358-L360 PolarHBondContact O-N 2.85Å; E358-L360 VanDerWaalsContact O-N 3.16Å; L360-V430 HydrophobicContact CD1-CG1 4.02Å; L360-V430 HydrophobicContact CD2-CG1 3.54Å; L360-V430 HydrophobicContact CG-CG1 4.39Å; L360-T431 HydrophobicContact CD2-CG2 3.71Å
361R78.7Confident76.4Confident73 Ų7343.6 Ų43.628%0.27528%0.282SS..G310 helixtrans-87.4-22.7174.6-64.8-174.262.3-152.19.7114.1E358 L359 G363 R364 R472E358-R361 WeakPolarHBondContact O-CB 3.42Å; E358-R361 PolarHBondContact O-N 2.79Å; E358-R361 IonicContact OE1-CZ 3.87Å; E358-R361 IonicContact OE1-NE 3.62Å; E358-R361 IonicContact OE1-NH1 3.79Å; E358-R361 PolarHBondContact OE1-NH1 3.11Å; E358-R361 IonicContact OE2-NH1 3.34Å; L359-R361 PolarHBondContact O-N 2.54Å; R361-G363 PolarHBondContact O-N 3.29Å; R361-R364 WeakPolarHBondContact O-CB 3.43Å; R361-R364 PolarHBondContact O-N 3.18Å; R361-R472 VanDerWaalsContact CD-NH1 3.33Å; R361-R472 VanDerWaalsContact CZ-NE 3.34Å; R361-R472 VanDerWaalsContact CZ-NH2 3.32Å; R361-R472 VanDerWaalsContact NH1-NE 3.13Å
362A69.4Low75.8Confident30 Ų3045.4 Ų45.425%0.24829%0.291CS..THydrogen-bonded Turntrans-58.1-23.3-178.300000113.3L359 E380L359-A362 WeakPolarHBondContact O-CB 3.31Å; L359-A362 PolarHBondContact O-N 3.38Å; A362-E380 HydrophobicContact CB-CG 3.59Å
363G61.5Low75.3Confident15 Ų1549.1 Ų49.116%0.15531%0.314CS..THydrogen-bonded Turntrans-84.5-10.9173.300000115.5R361 N365R361-G363 PolarHBondContact O-N 3.29Å; G363-N365 PolarHBondContact O-N 3.41Å
364R65.4Low75Confident55 Ų5549.3 Ų49.321%0.20832%0.315CS..  trans-88.486.8-178.6-63.3-174.3-177.7168.94.8110Y333 E356 R361 A434Y333-R364 PolarHBondContact OH-NH2 3.36Å; E356-R364 IonicContact OE1-CZ 2.95Å; E356-R364 IonicContact OE1-NH1 3.58Å; E356-R364 PolarHBondContact OE1-NH1 3.24Å; E356-R364 IonicContact OE1-NH2 2.86Å; E356-R364 PolarHBondContact OE1-NH2 3.33Å; E356-R364 IonicContact OE2-NH1 3.24Å; E356-R364 PolarHBondContact OE2-NH1 2.7Å; R361-R364 WeakPolarHBondContact O-CB 3.43Å; R361-R364 PolarHBondContact O-N 3.18Å; R364-A434 PolarHBondContact NE-O 3.12Å
365N52.2Low74.9Confident72 Ų7249.5 Ų49.539%0.38532%0.316SS..PPolyproline II helixtrans-76.3153.5171.1-78.2-31.6000111.8G363 A369 A370G363-N365 PolarHBondContact O-N 3.41Å; N365-A369 HydrophobicContact CB-CB 3.55Å; N365-A370 PolarHBondContact ND2-O 2.8Å
366H53.5Low74.7Confident165 Ų16549.9 Ų49.976%0.76432%0.322SS*.PPolyproline II helixtrans-54151.9163.4-76.3-66.2000110.5G368 A369H366-G368 PolarHBondContact O-N 2.78Å; H366-A369 PolarHBondContact O-N 3.44Å
367P53.7Low74.7Confident130 Ų13049.8 Ų49.884%0.84432%0.321SS*.THydrogen-bonded Turntrans-48.5118.6173.5-24.832.5000110.7
368G51.2Low74.8Confident90 Ų9048.6 Ų48.693%0.92832%0.316SS*.THydrogen-bonded Turntrans98.7-7179.600000116.7H366H366-G368 PolarHBondContact O-N 2.78Å
369A59.7Low75Confident53 Ų5351.1 Ų51.144%0.43832%0.324SS..PPolyproline II helixtrans-82.7138.6172.500000112N365 H366 A371N365-A369 HydrophobicContact CB-CB 3.55Å; H366-A369 PolarHBondContact O-N 3.44Å; A369-A371 PolarHBondContact O-N 3.16Å
370A65.4Low75.2Confident90 Ų9053.5 Ų53.574%0.74434%0.335SS*.PPolyproline II helixtrans-63.1129.4-176.600000111.1N365 I372N365-A370 PolarHBondContact ND2-O 2.8Å; A370-I372 PolarHBondContact O-N 3.4Å
371A73.6Confident75.8Confident73 Ų7353.3 Ų53.360%0.60333%0.334SS*.PPolyproline II helixtrans-49139.7179.400000111.9A369 T373A369-A371 PolarHBondContact O-N 3.16Å; A371-T373 PolarHBondContact O-N 3.17Å
372I81.7Confident76.6Confident39 Ų3950.8 Ų50.820%0.233%0.326CS..PPolyproline II helixtrans-60.5132.9177.4-165.4171.8000109.8A370 F377 Y424A370-I372 PolarHBondContact O-N 3.4Å; I372-F377 HydrophobicContact CD1-CB 4.24Å; I372-F377 HydrophobicContact CG1-CB 4.49Å; I372-F377 HydrophobicContact CG2-CB 4.25Å; I372-Y424 VanDerWaalsContact CG2-OH 3.29Å; I372-Y424 WeakPolarHBondContact CG2-OH 3.3Å; I372-Y424 PolarHBondContact O-OH 3.5Å
373T87.4Confident77.7Confident78 Ų7852.4 Ų52.448%0.47933%0.328SS..PPolyproline II helixtrans-66.5157.517459.80000109.8E128 A371 A375 G376 F377E128-T373 VanDerWaalsContact OE1-CB 3.25Å; E128-T373 WeakPolarHBondContact OE1-CB 3.48Å; A371-T373 PolarHBondContact O-N 3.17Å; T373-A375 VanDerWaalsContact C-N 3.3Å; T373-A375 PolarHBondContact O-N 3.25Å; T373-G376 WeakPolarHBondContact O-CA 3.27Å; T373-G376 PolarHBondContact O-N 2.9Å; T373-G376 PolarHBondContact OG1-N 3.14Å; T373-F377 PolarHBondContact O-N 2.97Å
374F90.5Very high79.3Confident6 Ų651.7 Ų51.73%0.02632%0.321CS..Hα-helixtrans-59.4-43.9175.3171.5-110.9000110.7A124 V127 E128 L173 R176 G376 F377 F378 V421 Y424A124-F374 HydrophobicContact CB-CD1 4.44Å; A124-F374 HydrophobicContact CB-CE1 3.93Å; A124-F374 WeakPolarHBondContact O-CD1 3.41Å; V127-F374 HydrophobicContact CB-CE1 4.28Å; V127-F374 HydrophobicContact CG1-CE1 4.2Å; E128-F374 HydrophobicContact CB-CB 4.42Å; E128-F374 HydrophobicContact CB-CD1 4.13Å; E128-F374 HydrophobicContact CG-CB 4.41Å; E128-F374 WeakPolarHBondContact OE1-CB 3.35Å; E128-F374 PolarHBondContact OE1-N 3.12Å; L173-F374 HydrophobicContact CD2-CE1 3.87Å; L173-F374 HydrophobicContact CD2-CZ 3.82Å; R176-F374 VanDerWaalsContact CD-CE2 3.47Å; F374-G376 PolarHBondContact O-N 2.77Å; F374-F377 PolarHBondContact O-N 3.21Å; F374-F378 HydrophobicContact CZ-CD2 4.05Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.33Å; F374-F378 PolarHBondContact O-N 2.93Å; F374-V421 HydrophobicContact CE2-CG1 4.3Å; F374-V421 HydrophobicContact CZ-CG1 3.97Å; F374-Y424 HydrophobicContact CB-CD1 4.25Å; F374-Y424 HydrophobicContact CB-CE1 4.16Å; F374-Y424 AromaticContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CE1 4.25Å; F374-Y424 AromaticContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CE2-CG 4.35Å; F374-Y424 HydrophobicContact CG-CD1 4.39Å
375A92.4Very high80.7Confident4 Ų449.1 Ų49.13%0.03331%0.311CS..Hα-helixtrans-66.4-25175.600000113.1R125 E128 T373 R379R125-A375 HydrophobicContact CG-CB 3.65Å; E128-A375 VanDerWaalsContact OE2-CB 3.24Å; E128-A375 WeakPolarHBondContact OE2-CB 3.5Å; T373-A375 VanDerWaalsContact C-N 3.3Å; T373-A375 PolarHBondContact O-N 3.25Å; A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 PolarHBondContact O-NH1 3.04Å
376G90.6Very high82.7Confident13 Ų1346.5 Ų46.513%0.13430%0.301CS..Hα-helixtrans-68.1-55170.900000111.1T373 F374 F378 R379 E380T373-G376 WeakPolarHBondContact O-CA 3.27Å; T373-G376 PolarHBondContact O-N 2.9Å; T373-G376 PolarHBondContact OG1-N 3.14Å; F374-G376 PolarHBondContact O-N 2.77Å; G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.67Å; G376-R379 PolarHBondContact O-N 2.89Å; G376-E380 PolarHBondContact O-N 3.28Å
377F91.2Very high84.7Confident0 Ų039.2 Ų39.20%027%0.269CS..Hα-helixtrans-57.5-44.5176.2171.6-95.4000111.6L359 I372 T373 F374 R379 E380 A381 A420 Y424 T431L359-F377 HydrophobicContact CD1-CD2 4.32Å; L359-F377 HydrophobicContact CD1-CE2 3.65Å; L359-F377 HydrophobicContact CD1-CZ 4.07Å; L359-F377 HydrophobicContact CD2-CE2 4.36Å; L359-F377 HydrophobicContact CD2-CZ 4.06Å; L359-F377 HydrophobicContact CG-CE2 3.84Å; L359-F377 HydrophobicContact CG-CZ 4.06Å; I372-F377 HydrophobicContact CD1-CB 4.24Å; I372-F377 HydrophobicContact CG1-CB 4.49Å; I372-F377 HydrophobicContact CG2-CB 4.25Å; T373-F377 PolarHBondContact O-N 2.97Å; F374-F377 PolarHBondContact O-N 3.21Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.96Å; F377-E380 WeakPolarHBondContact O-CB 3.44Å; F377-E380 PolarHBondContact O-N 3.03Å; F377-E380 VanDerWaalsContact O-N 3.11Å; F377-A381 HydrophobicContact CE1-CB 4.19Å; F377-A381 HydrophobicContact CZ-CB 4.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.5Å; F377-A420 WeakPolarHBondContact CE1-O 3.27Å; F377-A420 HydrophobicContact CZ-CB 4.45Å; F377-Y424 HydrophobicContact CB-CD2 4.04Å; F377-Y424 HydrophobicContact CB-CE2 3.48Å; F377-Y424 VanDerWaalsContact CB-CE2 3.48Å; F377-Y424 AromaticContact CD1-CD2 3.25Å; F377-Y424 HydrophobicContact CD1-CD2 3.25Å; F377-Y424 AromaticContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CG 4.11Å; F377-Y424 AromaticContact CD2-CD2 3.97Å; F377-Y424 HydrophobicContact CD2-CD2 3.97Å; F377-Y424 AromaticContact CD2-CE2 3.66Å; F377-Y424 HydrophobicContact CD2-CE2 3.66Å; F377-Y424 AromaticContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CE2 4.31Å; F377-Y424 HydrophobicContact CE2-CD2 4.31Å; F377-Y424 HydrophobicContact CE2-CE2 4.34Å; F377-Y424 AromaticContact CG-CD2 3.44Å; F377-Y424 HydrophobicContact CG-CD2 3.44Å; F377-Y424 VanDerWaalsContact CG-CD2 3.44Å; F377-Y424 AromaticContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CZ-CD2 4.17Å; F377-T431 HydrophobicContact CE1-CG2 4.22Å; F377-T431 HydrophobicContact CE2-CG2 3.66Å; F377-T431 VanDerWaalsContact CZ-CB 3.48Å; F377-T431 HydrophobicContact CZ-CG2 3.34Å
378F94.2Very high86.7Confident0 Ų033.6 Ų33.60%023%0.233CC..Hα-helixtrans-59-41.2-180-174.1-82.4000112.4L120 V121 A124 F169 L173 F374 G376 A381 L382 V421L120-F378 HydrophobicContact CB-CE1 3.83Å; L120-F378 HydrophobicContact CB-CZ 4.01Å; L120-F378 HydrophobicContact CD2-CZ 4.48Å; L120-F378 WeakPolarHBondContact O-CE1 3.41Å; V121-F378 HydrophobicContact CG2-CD1 4.42Å; A124-F378 HydrophobicContact CB-CB 3.8Å; A124-F378 HydrophobicContact CB-CD1 3.56Å; A124-F378 HydrophobicContact CB-CD2 3.68Å; A124-F378 HydrophobicContact CB-CE1 4Å; A124-F378 HydrophobicContact CB-CE2 4.09Å; A124-F378 HydrophobicContact CB-CG 3.38Å; A124-F378 HydrophobicContact CB-CZ 4.24Å; F169-F378 HydrophobicContact CB-CE2 4.39Å; F169-F378 HydrophobicContact CB-CZ 4.03Å; F169-F378 HydrophobicContact CD1-CD2 4.27Å; F169-F378 HydrophobicContact CD1-CE1 4.26Å; F169-F378 AromaticContact CD1-CE2 3.58Å; F169-F378 HydrophobicContact CD1-CE2 3.58Å; F169-F378 AromaticContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CE1-CE2 4.38Å; F169-F378 HydrophobicContact CE1-CZ 4.43Å; F169-F378 HydrophobicContact CG-CE2 4.44Å; F169-F378 HydrophobicContact CG-CZ 4.14Å; L173-F378 HydrophobicContact CD1-CE2 3.97Å; L173-F378 HydrophobicContact CD1-CZ 3.99Å; L173-F378 HydrophobicContact CD2-CD2 4.07Å; L173-F378 HydrophobicContact CD2-CE2 3.67Å; L173-F378 HydrophobicContact CD2-CZ 4.44Å; L173-F378 HydrophobicContact CG-CE2 3.73Å; L173-F378 HydrophobicContact CG-CZ 4.27Å; F374-F378 HydrophobicContact CZ-CD2 4.05Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.33Å; F374-F378 PolarHBondContact O-N 2.93Å; G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.67Å; F378-A381 PolarHBondContact O-N 3.43Å; F378-L382 WeakPolarHBondContact O-CB 3.42Å; F378-L382 PolarHBondContact O-N 3.33Å; F378-V421 HydrophobicContact CD2-CG1 3.94Å; F378-V421 HydrophobicContact CD2-CG2 4.12Å; F378-V421 HydrophobicContact CE2-CG1 3.86Å; F378-V421 HydrophobicContact CE2-CG2 4.12Å
379R94Very high88.7Confident83 Ų8329.8 Ų29.831%0.31319%0.191SC..Hα-helixtrans-65.5-40.9176.3-174.2-175.9-59.488.512.8111.6A375 G376 F377 L382 Q383A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 PolarHBondContact O-NH1 3.04Å; G376-R379 PolarHBondContact O-N 2.89Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.96Å; R379-L382 PolarHBondContact O-N 3.32Å; R379-Q383 WeakPolarHBondContact O-CG 3.31Å; R379-Q383 PolarHBondContact O-N 3.28Å; R379-Q383 VanDerWaalsContact O-N 3.12Å
380E92.4Very high90.3Very high51 Ų5130.6 Ų30.624%0.23819%0.186CC..Hα-helixtrans-65-44.4176.4-179.655.5-149.800111.3L359 A362 G376 F377 L382 Q383 H384 R480L359-E380 HydrophobicContact CD1-CB 4.49Å; L359-E380 HydrophobicContact CD1-CG 3.98Å; A362-E380 HydrophobicContact CB-CG 3.59Å; G376-E380 PolarHBondContact O-N 3.28Å; F377-E380 WeakPolarHBondContact O-CB 3.44Å; F377-E380 PolarHBondContact O-N 3.03Å; F377-E380 VanDerWaalsContact O-N 3.11Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.4Å; E380-Q383 PolarHBondContact O-N 3.43Å; E380-H384 VanDerWaalsContact O-CB 3.31Å; E380-H384 WeakPolarHBondContact O-CB 3.31Å; E380-H384 PolarHBondContact O-N 3.29Å; E380-R480 IonicContact OE1-CZ 3.22Å; E380-R480 IonicContact OE1-NH2 3.47Å; E380-R480 PolarHBondContact OE1-NH2 3.49Å; E380-R480 IonicContact OE2-NH2 3.91Å; E380-R480 PolarHBondContact OE2-NH2 2.94Å
381A93.5Very high91.7Very high0 Ų026.3 Ų26.30%015%0.15CC..Hα-helixtrans-58.2-43.3173.400000111.9F169 L359 F377 F378 Q383 H384 F385F169-A381 HydrophobicContact CE1-CB 3.95Å; F169-A381 HydrophobicContact CZ-CB 4.24Å; L359-A381 HydrophobicContact CD1-CB 3.89Å; L359-A381 HydrophobicContact CD2-CB 3.95Å; F377-A381 HydrophobicContact CE1-CB 4.19Å; F377-A381 HydrophobicContact CZ-CB 4.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.5Å; F378-A381 PolarHBondContact O-N 3.43Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.77Å; A381-H384 PolarHBondContact O-N 2.75Å; A381-F385 HydrophobicContact CB-CD2 4.26Å; A381-F385 HydrophobicContact CB-CE2 4.35Å; A381-F385 WeakPolarHBondContact O-CB 3.31Å; A381-F385 VanDerWaalsContact O-CD2 3.27Å; A381-F385 WeakPolarHBondContact O-CD2 3.33Å; A381-F385 PolarHBondContact O-N 3.2Å
382L94.9Very high92.6Very high19 Ų1923 Ų2310%0.09912%0.122CC..Hα-helixtrans-60.5-43.2177.3-173.365.9000111.9L120 V121 F169 F378 R379 E380 G386L120-L382 HydrophobicContact CD1-CD1 4.08Å; V121-L382 HydrophobicContact CG2-CD2 4.35Å; F169-L382 HydrophobicContact CD2-CD1 3.89Å; F169-L382 HydrophobicContact CE1-CB 4.45Å; F169-L382 HydrophobicContact CE2-CD1 3.7Å; F169-L382 HydrophobicContact CG-CD1 4.44Å; F169-L382 VanDerWaalsContact CZ-CA 3.48Å; F169-L382 HydrophobicContact CZ-CB 4.2Å; F169-L382 HydrophobicContact CZ-CD1 4.08Å; F378-L382 WeakPolarHBondContact O-CB 3.42Å; F378-L382 PolarHBondContact O-N 3.33Å; R379-L382 PolarHBondContact O-N 3.32Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.4Å; L382-G386 PolarHBondContact O-N 2.9Å
383Q93.5Very high93Very high65 Ų6522.6 Ų22.630%0.30413%0.125SC..Hα-helixtrans-68.8-43.2176.5-68.5177.46.700112.2L102 R379 E380 A381 A387 R480L102-Q383 HydrophobicContact CD1-CG 4.46Å; R379-Q383 WeakPolarHBondContact O-CG 3.31Å; R379-Q383 PolarHBondContact O-N 3.28Å; R379-Q383 VanDerWaalsContact O-N 3.12Å; E380-Q383 PolarHBondContact O-N 3.43Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.77Å; Q383-A387 WeakPolarHBondContact O-CB 3.43Å; Q383-A387 PolarHBondContact O-N 3.35Å; Q383-R480 VanDerWaalsContact OE1-NH2 3.15Å
384H94.5Very high93.1Very high0 Ų019.7 Ų19.70%011%0.108CC..Hα-helixtrans-61.4-57.1179.1177.584.5000111.6E357 L359 E380 A381 G386 A387 V388 L482E357-H384 IonicContact OE1-CD2 3.18Å; E357-H384 IonicContact OE1-CE1 2.71Å; E357-H384 IonicContact OE1-NE2 3.22Å; E357-H384 PolarHBondContact OE1-NE2 2.87Å; L359-H384 HydrophobicContact CB-CB 4.4Å; L359-H384 HydrophobicContact CD1-CB 4.34Å; E380-H384 VanDerWaalsContact O-CB 3.31Å; E380-H384 WeakPolarHBondContact O-CB 3.31Å; E380-H384 PolarHBondContact O-N 3.29Å; A381-H384 PolarHBondContact O-N 2.75Å; H384-G386 VanDerWaalsContact C-N 3.3Å; H384-G386 PolarHBondContact O-N 3.17Å; H384-A387 WeakPolarHBondContact O-CB 3.46Å; H384-A387 PolarHBondContact O-N 3.46Å; H384-A387 VanDerWaalsContact O-N 3.09Å; H384-V388 WeakPolarHBondContact O-CG2 2.94Å; H384-V388 PolarHBondContact O-N 3.33Å; H384-L482 PolarHBondContact CE1-O 3.4Å
385F95.2Very high93.1Very high1 Ų120.7 Ų20.70%0.00412%0.115CC..Hα-helixtrans-69.9-27.8-178.9-68.7-59.6000112.9L165 F169 I330 L359 A381 V388 L389 L413 T416 I417 A420L165-F385 HydrophobicContact CD1-CB 4.04Å; F169-F385 HydrophobicContact CE2-CB 4.36Å; F169-F385 HydrophobicContact CZ-CB 4.32Å; F169-F385 AromaticContact CZ-CD2 3.86Å; F169-F385 HydrophobicContact CZ-CD2 3.86Å; I330-F385 HydrophobicContact CD1-CZ 4.25Å; L359-F385 HydrophobicContact CD2-CD2 4.19Å; L359-F385 HydrophobicContact CD2-CE2 3.4Å; L359-F385 HydrophobicContact CD2-CZ 3.67Å; A381-F385 HydrophobicContact CB-CD2 4.26Å; A381-F385 HydrophobicContact CB-CE2 4.35Å; A381-F385 WeakPolarHBondContact O-CB 3.31Å; A381-F385 VanDerWaalsContact O-CD2 3.27Å; A381-F385 WeakPolarHBondContact O-CD2 3.33Å; A381-F385 PolarHBondContact O-N 3.2Å; F385-V388 PolarHBondContact O-N 2.95Å; F385-L389 WeakPolarHBondContact O-CB 3.23Å; F385-L389 PolarHBondContact O-N 3.37Å; F385-L413 HydrophobicContact CD1-CD1 3.52Å; F385-L413 HydrophobicContact CE1-CD1 4.04Å; F385-L413 HydrophobicContact CG-CD1 4.4Å; F385-T416 HydrophobicContact CE1-CG2 4Å; F385-T416 HydrophobicContact CZ-CG2 3.93Å; F385-I417 HydrophobicContact CB-CD1 4.17Å; F385-I417 HydrophobicContact CB-CG1 4.08Å; F385-I417 HydrophobicContact CD1-CG1 3.89Å; F385-I417 HydrophobicContact CD2-CB 4.47Å; F385-I417 HydrophobicContact CD2-CG1 3.55Å; F385-I417 HydrophobicContact CE1-CG1 4.15Å; F385-I417 HydrophobicContact CE2-CB 4.45Å; F385-I417 HydrophobicContact CE2-CG1 3.81Å; F385-I417 HydrophobicContact CG-CD1 4.17Å; F385-I417 HydrophobicContact CG-CG1 3.57Å; F385-I417 HydrophobicContact CZ-CG1 4.11Å; F385-A420 HydrophobicContact CE2-CB 4.12Å; F385-A420 HydrophobicContact CZ-CB 4.33Å
386G94.3Very high92.7Very high17 Ų1720.8 Ų20.818%0.17512%0.115CC..Hα-helixtrans-61.2-43.2168.100000112.3L382 H384 E390L382-G386 PolarHBondContact O-N 2.9Å; H384-G386 VanDerWaalsContact C-N 3.3Å; H384-G386 PolarHBondContact O-N 3.17Å; G386-E390 WeakPolarHBondContact O-CB 3.44Å; G386-E390 PolarHBondContact O-N 3.16Å
387A95.5Very high92.2Very high11 Ų1128.9 Ų28.99%0.09114%0.141CC..Hα-helixtrans-68.6-40.1175.200000112.4Q383 H384 E390 S391 L482Q383-A387 WeakPolarHBondContact O-CB 3.43Å; Q383-A387 PolarHBondContact O-N 3.35Å; H384-A387 WeakPolarHBondContact O-CB 3.46Å; H384-A387 PolarHBondContact O-N 3.46Å; H384-A387 VanDerWaalsContact O-N 3.09Å; A387-E390 PolarHBondContact O-N 3.38Å; A387-S391 VanDerWaalsContact O-CB 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.27Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 2.95Å; A387-L482 HydrophobicContact CB-CD2 3.84Å
388V95.6Very high91.1Very high13 Ų1334.4 Ų34.48%0.07917%0.171CC..Hα-helixtrans-57.9-52172.81730000109.9F208 H384 F385 E390 S391 L392 L413 L482F208-V388 HydrophobicContact CZ-CG1 4.47Å; H384-V388 WeakPolarHBondContact O-CG2 2.94Å; H384-V388 PolarHBondContact O-N 3.33Å; F385-V388 PolarHBondContact O-N 2.95Å; V388-E390 PolarHBondContact O-N 3.06Å; V388-S391 WeakPolarHBondContact O-CB 3.3Å; V388-S391 PolarHBondContact O-N 3.39Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 3.01Å; V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 HydrophobicContact CG1-CG 4.32Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.07Å; V388-L413 HydrophobicContact CG1-CD1 4.02Å; V388-L482 HydrophobicContact CG2-CD1 4.23Å; V388-L482 HydrophobicContact CG2-CD2 4.16Å
389L93.1Very high89.5Confident9 Ų938.3 Ų38.35%0.04720%0.203CC..Hα-helixtrans-60.1-43179.9-177.962000112.4A161 L165 F385 S391 L392 A393 E409 L413A161-L389 HydrophobicContact CB-CD1 4.29Å; A161-L389 HydrophobicContact CB-CD2 3.93Å; A161-L389 HydrophobicContact CB-CG 4.38Å; L165-L389 HydrophobicContact CB-CD2 4.06Å; L165-L389 HydrophobicContact CD1-CD2 4.41Å; L165-L389 HydrophobicContact CD2-CD2 4.19Å; L165-L389 HydrophobicContact CG-CD2 4.46Å; F385-L389 WeakPolarHBondContact O-CB 3.23Å; F385-L389 PolarHBondContact O-N 3.37Å; L389-S391 VanDerWaalsContact C-N 3.33Å; L389-S391 PolarHBondContact O-N 3.08Å; L389-L392 PolarHBondContact O-N 2.87Å; L389-A393 WeakPolarHBondContact O-CB 3.4Å; L389-A393 PolarHBondContact O-N 3.05Å; L389-E409 HydrophobicContact CD1-CG 4.32Å; L389-L413 HydrophobicContact CB-CD2 4.18Å; L389-L413 HydrophobicContact CD1-CD2 4.08Å
390E92.4Very high88.3Confident70 Ų7037 Ų3733%0.32722%0.216SC..Hα-helixtrans-63.3-41.2176.3-166.5-171.5-168.200111.8G386 A387 V388 A393 S394 W477 K478G386-E390 WeakPolarHBondContact O-CB 3.44Å; G386-E390 PolarHBondContact O-N 3.16Å; A387-E390 PolarHBondContact O-N 3.38Å; V388-E390 PolarHBondContact O-N 3.06Å; E390-A393 PolarHBondContact O-N 2.99Å; E390-S394 PolarHBondContact O-N 3.01Å; E390-W477 HydrophobicContact CB-CZ2 4.47Å; E390-W477 HydrophobicContact CG-CZ2 3.9Å; E390-W477 PolarHBondContact OE2-NE1 3Å; E390-K478 VanDerWaalsContact CD-NZ 3.32Å; E390-K478 IonicContact OE1-NZ 2.59Å; E390-K478 PolarHBondContact OE1-NZ 3.49Å; E390-K478 IonicContact OE2-NZ 3.38Å; E390-K478 PolarHBondContact OE2-NZ 3.37Å
391S94.7Very high87.6Confident0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-64-43.2178.181.60000111.9F208 A387 V388 L389 S394 C395 F464 W477F208-S391 WeakPolarHBondContact CZ-OG 3.36Å; A387-S391 VanDerWaalsContact O-CB 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.27Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 2.95Å; V388-S391 WeakPolarHBondContact O-CB 3.3Å; V388-S391 PolarHBondContact O-N 3.39Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 3.01Å; L389-S391 VanDerWaalsContact C-N 3.33Å; L389-S391 PolarHBondContact O-N 3.08Å; S391-S394 WeakPolarHBondContact O-CB 3.14Å; S391-S394 PolarHBondContact O-N 3.23Å; S391-C395 PolarHBondContact O-N 3.3Å; S391-C395 VanDerWaalsContact O-N 3.1Å; S391-F464 VanDerWaalsContact CB-CZ 3.48Å; S391-W477 VanDerWaalsContact CB-CD2 3.43Å; S391-W477 VanDerWaalsContact CB-CE3 3.43Å
392L92.6Very high87.1Confident4 Ų436.9 Ų36.92%0.02122%0.219CC..Hα-helixtrans-63.1-51.4174.2-65.9176.4000109.5L202 F208 V388 L389 S394 C395 F396 L405 V408L202-L392 HydrophobicContact CD1-CD2 3.38Å; F208-L392 HydrophobicContact CD2-CD2 4.27Å; F208-L392 HydrophobicContact CE2-CD2 3.77Å; F208-L392 HydrophobicContact CE2-CG 4.43Å; V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 HydrophobicContact CG1-CG 4.32Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.07Å; L389-L392 PolarHBondContact O-N 2.87Å; L392-S394 CarbonylContact O-C 3.52Å; L392-S394 PolarHBondContact O-N 2.76Å; L392-C395 CarbonylContact O-C 3.58Å; L392-C395 WeakPolarHBondContact O-CA 3.45Å; L392-C395 VanDerWaalsContact O-CB 3.31Å; L392-C395 WeakPolarHBondContact O-CB 3.44Å; L392-C395 PolarHBondContact O-N 3.33Å; L392-F396 HydrophobicContact CB-CD2 4.05Å; L392-F396 HydrophobicContact CB-CE2 3.9Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CE2 4.42Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 PolarHBondContact O-N 3.21Å; L392-L405 HydrophobicContact CB-CD1 3.85Å; L392-V408 HydrophobicContact CD1-CG1 4.1Å
393A90Very high86.6Confident30 Ų3036.2 Ų36.225%0.24822%0.217CC..Hα-helixtrans-54.8-28.2177.500000113.3L389 E390 R397 L405L389-A393 WeakPolarHBondContact O-CB 3.4Å; L389-A393 PolarHBondContact O-N 3.05Å; E390-A393 PolarHBondContact O-N 2.99Å; A393-R397 PolarHBondContact O-N 3.23Å; A393-L405 HydrophobicContact CB-CD2 4.18Å
394S90.5Very high86.4Confident18 Ų1833.1 Ų33.113%0.12620%0.202CC..Hα-helixtrans-72.2-42.7170.7-162.90000113.3E390 S391 L392 R397 S462 W477E390-S394 PolarHBondContact O-N 3.01Å; S391-S394 WeakPolarHBondContact O-CB 3.14Å; S391-S394 PolarHBondContact O-N 3.23Å; L392-S394 CarbonylContact O-C 3.52Å; L392-S394 PolarHBondContact O-N 2.76Å; S394-R397 WeakPolarHBondContact O-CB 3.28Å; S394-R397 PolarHBondContact O-N 2.97Å; S394-S462 PolarHBondContact OG-OG 3.37Å; S394-W477 VanDerWaalsContact CB-CH2 3.41Å
395C89.7Confident86.1Confident26 Ų2634 Ų3418%0.17621%0.207CC..Hα-helixtrans-63-37.6175.2-73.40000113.3L205 S391 L392L205-C395 VanDerWaalsContact O-CB 3.25Å; L205-C395 WeakPolarHBondContact O-CB 3Å; S391-C395 PolarHBondContact O-N 3.3Å; S391-C395 VanDerWaalsContact O-N 3.1Å; L392-C395 CarbonylContact O-C 3.58Å; L392-C395 WeakPolarHBondContact O-CA 3.45Å; L392-C395 VanDerWaalsContact O-CB 3.31Å; L392-C395 WeakPolarHBondContact O-CB 3.44Å; L392-C395 PolarHBondContact O-N 3.33Å
396F85.5Confident85.8Confident7 Ų734 Ų343%0.03121%0.207CC..THydrogen-bonded Turntrans-94.312.5-178.1-60.6-84.6000113.5I201 L205 L392 D398 C404 L405 V408I201-F396 HydrophobicContact CG2-CE1 3.53Å; I201-F396 HydrophobicContact CG2-CZ 3.97Å; L205-F396 HydrophobicContact CB-CD1 4.28Å; L205-F396 HydrophobicContact CB-CE1 3.71Å; L205-F396 HydrophobicContact CB-CZ 3.99Å; L205-F396 HydrophobicContact CD1-CD1 3.8Å; L205-F396 HydrophobicContact CD1-CE1 3.54Å; L205-F396 HydrophobicContact CG-CE1 4.12Å; L392-F396 HydrophobicContact CB-CD2 4.05Å; L392-F396 HydrophobicContact CB-CE2 3.9Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CE2 4.42Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 PolarHBondContact O-N 3.21Å; F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.32Å; F396-C404 HydrophobicContact CD1-CB 3.89Å; F396-C404 HydrophobicContact CE1-CB 3.91Å; F396-L405 HydrophobicContact CB-CB 3.97Å; F396-L405 HydrophobicContact CD1-CB 4.48Å; F396-L405 HydrophobicContact CD2-CB 4.04Å; F396-L405 HydrophobicContact CD2-CD1 3.81Å; F396-L405 HydrophobicContact CD2-CG 4.45Å; F396-L405 HydrophobicContact CE2-CD1 4.27Å; F396-L405 HydrophobicContact CG-CB 3.94Å; F396-V408 HydrophobicContact CZ-CG2 4.16Å
397R78.9Confident85.5Confident182 Ų18233.2 Ų33.269%0.68720%0.198SC*.  trans-66.5-35.1-174.3-174.6-178.9-62.7-102.3-3.1112.8A393 S394A393-R397 PolarHBondContact O-N 3.23Å; S394-R397 WeakPolarHBondContact O-CB 3.28Å; S394-R397 PolarHBondContact O-N 2.97Å
398D68.3Low85.3Confident116 Ų11632.8 Ų32.862%0.6220%0.195SC*.SBendtrans-80.7154.1-172.7-64.7-28.2000112.2F396 G400 Y401F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.32Å; D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 2.76Å; D398-Y401 WeakPolarHBondContact O-CD2 3.23Å; D398-Y401 WeakPolarHBondContact O-CE2 3.47Å; D398-Y401 PolarHBondContact O-N 3.28Å
399A61.2Low85.1Confident83 Ų8332.2 Ų32.269%0.68619%0.191SC*.THydrogen-bonded Turntrans48.321.5166.600000119.8Y401A399-Y401 HydrophobicContact CB-CE2 3.84Å
400G67.8Low84.8Confident56 Ų5634.7 Ų34.758%0.57720%0.2SC*.THydrogen-bonded Turntrans8723171.700000115D398 G402D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 2.76Å; G400-G402 PolarHBondContact O-N 3.05Å
401Y79Confident84.7Confident29 Ų2933.3 Ų33.311%0.11419%0.193CC..THydrogen-bonded Turntrans-72.121.6173.9-54.8-58.9000114.7M61 L65 D398 A399 A403 C404 L405M61-Y401 HydrophobicContact CB-CE1 4.07Å; M61-Y401 VanDerWaalsContact CB-OH 3.27Å; M61-Y401 WeakPolarHBondContact CB-OH 3.29Å; M61-Y401 HydrophobicContact CE-CD1 3.94Å; M61-Y401 HydrophobicContact CE-CD2 3.94Å; M61-Y401 HydrophobicContact CE-CE1 3.37Å; M61-Y401 HydrophobicContact CE-CE2 3.37Å; M61-Y401 HydrophobicContact CE-CG 4.23Å; M61-Y401 WeakPolarHBondContact CE-OH 3.3Å; L65-Y401 HydrophobicContact CB-CD1 4.28Å; L65-Y401 HydrophobicContact CB-CE1 4.31Å; L65-Y401 HydrophobicContact CD1-CD1 4.27Å; L65-Y401 HydrophobicContact CD2-CD1 4.49Å; L65-Y401 HydrophobicContact CD2-CE1 4.44Å; D398-Y401 WeakPolarHBondContact O-CD2 3.23Å; D398-Y401 WeakPolarHBondContact O-CE2 3.47Å; D398-Y401 PolarHBondContact O-N 3.28Å; A399-Y401 HydrophobicContact CB-CE2 3.84Å; Y401-A403 PolarHBondContact O-N 3.41Å; Y401-C404 WeakPolarHBondContact O-CB 3.39Å; Y401-C404 PolarHBondContact O-N 3.49Å; Y401-L405 PolarHBondContact O-N 3.38Å
402G82.8Confident84.4Confident18 Ų1833.9 Ų33.919%0.18620%0.198CC..Hα-helixtrans-58.1-35.5175.500000112.6Y153 G400 L405 G406Y153-G402 VanDerWaalsContact CD1-O 3.31Å; Y153-G402 WeakPolarHBondContact CD1-O 2.93Å; G400-G402 PolarHBondContact O-N 3.05Å; G402-L405 PolarHBondContact O-N 3.04Å; G402-G406 PolarHBondContact O-N 2.98Å
403A84.2Confident84.3Confident6 Ų634.4 Ų34.45%0.0520%0.201CC..Hα-helixtrans-65.7-39.9173.300000112.4L65 A68 N69 L72 Y401 G406 L407L65-A403 HydrophobicContact CD1-CB 4.1Å; A68-A403 HydrophobicContact CB-CB 4.35Å; N69-A403 WeakPolarHBondContact OD1-CB 2.87Å; L72-A403 HydrophobicContact CD1-CB 3.93Å; L72-A403 WeakPolarHBondContact CD1-O 3.42Å; Y401-A403 PolarHBondContact O-N 3.41Å; A403-G406 PolarHBondContact O-N 3.4Å; A403-L407 PolarHBondContact O-N 3.31Å
404C88.2Confident84.4Confident0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-63.6-46.8175.3-60.60000111I201 F396 Y401 G406 L407 V408I201-C404 HydrophobicContact CD1-CB 4.37Å; I201-C404 HydrophobicContact CG2-CB 3.78Å; F396-C404 HydrophobicContact CD1-CB 3.89Å; F396-C404 HydrophobicContact CE1-CB 3.91Å; Y401-C404 WeakPolarHBondContact O-CB 3.39Å; Y401-C404 PolarHBondContact O-N 3.49Å; C404-G406 VanDerWaalsContact C-N 3.3Å; C404-G406 PolarHBondContact O-N 3.31Å; C404-L407 PolarHBondContact O-N 3.16Å; C404-V408 WeakPolarHBondContact O-CG2 3.25Å; C404-V408 PolarHBondContact O-N 2.76Å
405L89.3Confident84.4Confident19 Ų1933.9 Ų33.910%0.09920%0.195CC..Hα-helixtrans-57.8-44.7174175.861.1000111.1L392 A393 F396 Y401 G402 L407 V408 E409L392-L405 HydrophobicContact CB-CD1 3.85Å; A393-L405 HydrophobicContact CB-CD2 4.18Å; F396-L405 HydrophobicContact CB-CB 3.97Å; F396-L405 HydrophobicContact CD1-CB 4.48Å; F396-L405 HydrophobicContact CD2-CB 4.04Å; F396-L405 HydrophobicContact CD2-CD1 3.81Å; F396-L405 HydrophobicContact CD2-CG 4.45Å; F396-L405 HydrophobicContact CE2-CD1 4.27Å; F396-L405 HydrophobicContact CG-CB 3.94Å; Y401-L405 PolarHBondContact O-N 3.38Å; G402-L405 PolarHBondContact O-N 3.04Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L405-L407 PolarHBondContact O-N 2.87Å; L405-V408 PolarHBondContact O-N 3.4Å; L405-E409 VanDerWaalsContact O-CB 3.31Å; L405-E409 WeakPolarHBondContact O-CB 3.26Å; L405-E409 PolarHBondContact O-N 3.02Å
406G87.5Confident84.4Confident0 Ų033.7 Ų33.70%019%0.193CC..Hα-helixtrans-63.5-38179.400000113.7Y153 G402 A403 C404 R410Y153-G406 VanDerWaalsContact CE1-CA 3.48Å; G402-G406 PolarHBondContact O-N 2.98Å; A403-G406 PolarHBondContact O-N 3.4Å; C404-G406 VanDerWaalsContact C-N 3.3Å; C404-G406 PolarHBondContact O-N 3.31Å; G406-R410 VanDerWaalsContact O-CB 3.23Å; G406-R410 WeakPolarHBondContact O-CB 3.42Å; G406-R410 PolarHBondContact O-N 2.8Å
407L88.6Confident84.7Confident0 Ų033.4 Ų33.40%019%0.191CC..Hα-helixtrans-67.4-44.9174.1-170.870000111.5A68 L71 L72 A197 A198 I201 A403 C404 L405 E409 R410 E411A68-L407 HydrophobicContact CB-CB 4.5Å; A68-L407 HydrophobicContact CB-CD2 4.23Å; L71-L407 HydrophobicContact CB-CD1 4.15Å; L71-L407 HydrophobicContact CB-CD2 4.41Å; L71-L407 HydrophobicContact CD1-CD2 3.9Å; L72-L407 HydrophobicContact CD2-CB 4.45Å; L72-L407 HydrophobicContact CD2-CD1 4.18Å; L72-L407 HydrophobicContact CG-CD1 4.49Å; A197-L407 HydrophobicContact CB-CD2 4.07Å; A198-L407 HydrophobicContact CB-CG 4.29Å; I201-L407 HydrophobicContact CD1-CD2 4.01Å; A403-L407 PolarHBondContact O-N 3.31Å; C404-L407 PolarHBondContact O-N 3.16Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L405-L407 PolarHBondContact O-N 2.87Å; L407-E409 PolarHBondContact O-N 2.82Å; L407-R410 PolarHBondContact O-N 3.45Å; L407-E411 HydrophobicContact CD1-CG 3.54Å; L407-E411 HydrophobicContact CG-CG 4.05Å; L407-E411 VanDerWaalsContact O-CB 3.3Å; L407-E411 WeakPolarHBondContact O-CB 3.33Å; L407-E411 VanDerWaalsContact O-CG 3.27Å; L407-E411 WeakPolarHBondContact O-CG 3.45Å; L407-E411 PolarHBondContact O-N 3.47Å
408V91.4Very high85.3Confident2 Ų227.2 Ų27.21%0.01217%0.17CC..Hα-helixtrans-61.6-44.9176.4172.10000111.2A198 I201 L202 L392 F396 C404 L405 A412 L413A198-V408 HydrophobicContact CB-CG2 4.47Å; I201-V408 HydrophobicContact CB-CG2 4.1Å; I201-V408 HydrophobicContact CG2-CG2 3.61Å; L202-V408 HydrophobicContact CB-CG1 4.4Å; L202-V408 HydrophobicContact CB-CG2 4.39Å; L202-V408 HydrophobicContact CD1-CG1 4.17Å; L392-V408 HydrophobicContact CD1-CG1 4.1Å; F396-V408 HydrophobicContact CZ-CG2 4.16Å; C404-V408 WeakPolarHBondContact O-CG2 3.25Å; C404-V408 PolarHBondContact O-N 2.76Å; L405-V408 PolarHBondContact O-N 3.4Å; V408-A412 WeakPolarHBondContact O-CA 3.27Å; V408-A412 VanDerWaalsContact O-CB 3.31Å; V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.85Å; V408-L413 PolarHBondContact O-N 2.81Å
409E90.6Very high86.1Confident1 Ų123.3 Ų23.31%0.00515%0.15CC..Iπ-helixtrans-61.1-48.6178.1-167.2-162.480.300110.7Y153 H164 Y168 L389 L405 L407 L413 G414Y153-E409 PolarHBondContact OH-OE1 3.25Å; Y153-E409 PolarHBondContact OH-OE2 3.13Å; H164-E409 WeakPolarHBondContact CB-OE1 3.16Å; H164-E409 IonicContact CG-OE1 2.74Å; H164-E409 IonicContact ND1-OE1 3.65Å; H164-E409 PolarHBondContact ND1-OE1 3.45Å; H164-E409 IonicContact ND1-OE2 2.67Å; Y168-E409 HydrophobicContact CE2-CG 3.99Å; L389-E409 HydrophobicContact CD1-CG 4.32Å; L405-E409 VanDerWaalsContact O-CB 3.31Å; L405-E409 WeakPolarHBondContact O-CB 3.26Å; L405-E409 PolarHBondContact O-N 3.02Å; L407-E409 PolarHBondContact O-N 2.82Å; E409-L413 HydrophobicContact CG-CD2 4.32Å; E409-L413 PolarHBondContact O-N 3.31Å; E409-G414 PolarHBondContact O-N 3.24Å
410R88.6Confident87.4Confident62 Ų6219.4 Ų19.423%0.23412%0.117CC..Iπ-helixtrans-71.7-41.4-174.9-169.7178.774.6-169.8-4.4113.6D75 Y168 G406 L407 P415D75-R410 IonicContact OD2-CZ 2.91Å; D75-R410 IonicContact OD2-NH1 2.62Å; D75-R410 PolarHBondContact OD2-NH1 2.94Å; Y168-R410 WeakPolarHBondContact OH-CA 3.28Å; G406-R410 VanDerWaalsContact O-CB 3.23Å; G406-R410 WeakPolarHBondContact O-CB 3.42Å; G406-R410 PolarHBondContact O-N 2.8Å; L407-R410 PolarHBondContact O-N 3.45Å; R410-P415 VanDerWaalsContact O-CD 3.27Å; R410-P415 WeakPolarHBondContact O-CD 3.33Å
411E89Confident88.5Confident40 Ų4016.8 Ų16.819%0.1879%0.09CC..Iπ-helixtrans-97-25.8-170.1-52.9-66.1153.300112.8K194 A198 L407K194-E411 HydrophobicContact CB-CG 3.9Å; K194-E411 WeakPolarHBondContact CB-OE2 3.29Å; K194-E411 WeakPolarHBondContact CD-OE1 3.43Å; A198-E411 HydrophobicContact CB-CB 3.83Å; L407-E411 HydrophobicContact CD1-CG 3.54Å; L407-E411 HydrophobicContact CG-CG 4.05Å; L407-E411 VanDerWaalsContact O-CB 3.3Å; L407-E411 WeakPolarHBondContact O-CB 3.33Å; L407-E411 VanDerWaalsContact O-CG 3.27Å; L407-E411 WeakPolarHBondContact O-CG 3.45Å; L407-E411 PolarHBondContact O-N 3.47Å
412A89.4Confident88.9Confident13 Ų1315.7 Ų15.711%0.1079%0.088CC..Iπ-helixtrans-111.3-59.4-179.800000112.3V408 T416V408-A412 WeakPolarHBondContact O-CA 3.27Å; V408-A412 VanDerWaalsContact O-CB 3.31Å; V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.85Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 2.88Å; A412-T416 PolarHBondContact O-OG1 3.06Å
413L91Very high88.7Confident14 Ų1415.8 Ų15.87%0.0738%0.083CC..Iπ-helixtrans-68.9-46.2-171.6-173.859.9000112.6F385 V388 L389 V408 E409 T416 I417F385-L413 HydrophobicContact CD1-CD1 3.52Å; F385-L413 HydrophobicContact CE1-CD1 4.04Å; F385-L413 HydrophobicContact CG-CD1 4.4Å; V388-L413 HydrophobicContact CG1-CD1 4.02Å; L389-L413 HydrophobicContact CB-CD2 4.18Å; L389-L413 HydrophobicContact CD1-CD2 4.08Å; V408-L413 PolarHBondContact O-N 2.81Å; E409-L413 HydrophobicContact CG-CD2 4.32Å; E409-L413 PolarHBondContact O-N 3.31Å; L413-T416 PolarHBondContact O-N 3.48Å; L413-I417 HydrophobicContact CD1-CD1 4.1Å; L413-I417 HydrophobicContact CD1-CG1 4.39Å; L413-I417 HydrophobicContact CD2-CD1 4.48Å; L413-I417 HydrophobicContact CG-CD1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.91Å
414G91.8Very high88.5Confident0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-59.4-53.1-177.400000113.6Y168 E409 T416 I417 Q418Y168-G414 VanDerWaalsContact CD2-CA 3.48Å; Y168-G414 VanDerWaalsContact CG-CA 3.46Å; E409-G414 PolarHBondContact O-N 3.24Å; G414-T416 VanDerWaalsContact C-N 3.31Å; G414-T416 PolarHBondContact O-N 2.76Å; G414-I417 PolarHBondContact O-N 2.57Å; G414-Q418 WeakPolarHBondContact O-CG 3.11Å; G414-Q418 PolarHBondContact O-N 3.07Å; G414-Q418 PolarHBondContact O-NE2 3.41Å
415P89.1Confident87.7Confident38 Ų3820.4 Ų20.425%0.24710%0.104CC..Hα-helixtrans-57.5-42.4174.1-28.637.4000112.6R410 I417 Q418 D419R410-P415 VanDerWaalsContact O-CD 3.27Å; R410-P415 WeakPolarHBondContact O-CD 3.33Å; P415-I417 PolarHBondContact O-N 3.27Å; P415-Q418 PolarHBondContact O-N 3.14Å; P415-D419 WeakPolarHBondContact O-CB 3.27Å; P415-D419 PolarHBondContact O-N 3.47Å
416T89.9Confident86.5Confident22 Ų2220.2 Ų20.214%0.13510%0.104CC..Hα-helixtrans-60.9-42.2177.7-63.20000112.4I330 F385 A412 L413 G414 D419 A420I330-T416 HydrophobicContact CB-CG2 4.41Å; I330-T416 HydrophobicContact CD1-CG2 3.54Å; I330-T416 HydrophobicContact CG1-CG2 3.98Å; F385-T416 HydrophobicContact CE1-CG2 4Å; F385-T416 HydrophobicContact CZ-CG2 3.93Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 2.88Å; A412-T416 PolarHBondContact O-OG1 3.06Å; L413-T416 PolarHBondContact O-N 3.48Å; G414-T416 VanDerWaalsContact C-N 3.31Å; G414-T416 PolarHBondContact O-N 2.76Å; T416-D419 PolarHBondContact O-N 3.25Å; T416-A420 VanDerWaalsContact O-CB 3.25Å; T416-A420 WeakPolarHBondContact O-CB 3.24Å; T416-A420 PolarHBondContact O-N 3.04Å
417I92Very high84.7Confident0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-64.2-47.8175.6-69157.4000111.1L165 Y168 F169 F385 L413 G414 P415 D419 A420 V421L165-I417 HydrophobicContact CD1-CD1 3.33Å; Y168-I417 HydrophobicContact CD2-CD1 4.23Å; F169-I417 HydrophobicContact CD1-CG2 3.97Å; F169-I417 HydrophobicContact CD2-CG2 3.75Å; F169-I417 HydrophobicContact CE1-CG2 4.03Å; F169-I417 HydrophobicContact CE2-CG2 3.8Å; F169-I417 HydrophobicContact CG-CG2 3.82Å; F169-I417 HydrophobicContact CZ-CG2 3.93Å; F385-I417 HydrophobicContact CB-CD1 4.17Å; F385-I417 HydrophobicContact CB-CG1 4.08Å; F385-I417 HydrophobicContact CD1-CG1 3.89Å; F385-I417 HydrophobicContact CD2-CB 4.47Å; F385-I417 HydrophobicContact CD2-CG1 3.55Å; F385-I417 HydrophobicContact CE1-CG1 4.15Å; F385-I417 HydrophobicContact CE2-CB 4.45Å; F385-I417 HydrophobicContact CE2-CG1 3.81Å; F385-I417 HydrophobicContact CG-CD1 4.17Å; F385-I417 HydrophobicContact CG-CG1 3.57Å; F385-I417 HydrophobicContact CZ-CG1 4.11Å; L413-I417 HydrophobicContact CD1-CD1 4.1Å; L413-I417 HydrophobicContact CD1-CG1 4.39Å; L413-I417 HydrophobicContact CD2-CD1 4.48Å; L413-I417 HydrophobicContact CG-CD1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.91Å; G414-I417 PolarHBondContact O-N 2.57Å; P415-I417 PolarHBondContact O-N 3.27Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.01Å; I417-A420 PolarHBondContact O-N 3.42Å; I417-V421 WeakPolarHBondContact O-CG2 3.01Å; I417-V421 PolarHBondContact O-N 2.93Å
418Q91.1Very high82.9Confident52 Ų5226.1 Ų26.124%0.24316%0.156CC..Hα-helixtrans-58.1-44.4179.7-72.4171.955.100110.7Y168 Q171 G414 P415 G422Y168-Q418 WeakPolarHBondContact O-CG 3.31Å; Q171-Q418 HydrophobicContact CB-CG 3.95Å; G414-Q418 WeakPolarHBondContact O-CG 3.11Å; G414-Q418 PolarHBondContact O-N 3.07Å; G414-Q418 PolarHBondContact O-NE2 3.41Å; P415-Q418 PolarHBondContact O-N 3.14Å; Q418-G422 WeakPolarHBondContact O-CA 3.38Å; Q418-G422 PolarHBondContact O-N 3.28Å
419D86.4Confident80.9Confident35 Ų3527 Ų2719%0.18716%0.162CC..Hα-helixtrans-67.8-45.6177.8-76.6-24.9000111.9R331 P415 T416 I417 V421 Q423R331-D419 VanDerWaalsContact CG-OD2 3.29Å; R331-D419 WeakPolarHBondContact CG-OD2 3.29Å; P415-D419 WeakPolarHBondContact O-CB 3.27Å; P415-D419 PolarHBondContact O-N 3.47Å; T416-D419 PolarHBondContact O-N 3.25Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.01Å; D419-V421 VanDerWaalsContact C-N 3.25Å; D419-V421 PolarHBondContact O-N 3.22Å; D419-Q423 VanDerWaalsContact CG-NE2 3.29Å; D419-Q423 WeakPolarHBondContact O-CA 3.48Å; D419-Q423 WeakPolarHBondContact O-CB 3.44Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.92Å; D419-Q423 PolarHBondContact OD1-NE2 3.46Å
420A87.4Confident79.2Confident1 Ų127.2 Ų27.21%0.00816%0.163CC..Hα-helixtrans-57.4-39.2179.300000112.5I330 F377 F385 T416 I417I330-A420 HydrophobicContact CD1-CB 4.23Å; F377-A420 WeakPolarHBondContact CE1-O 3.27Å; F377-A420 HydrophobicContact CZ-CB 4.45Å; F385-A420 HydrophobicContact CE2-CB 4.12Å; F385-A420 HydrophobicContact CZ-CB 4.33Å; T416-A420 VanDerWaalsContact O-CB 3.25Å; T416-A420 WeakPolarHBondContact O-CB 3.24Å; T416-A420 PolarHBondContact O-N 3.04Å; I417-A420 PolarHBondContact O-N 3.42Å
421V90.2Very high77.3Confident0 Ų024.3 Ų24.30%015%0.152CC..Hα-helixtrans-83.1-52.4179.3175.80000111.7F169 G172 L173 F374 F378 I417 D419 Q423 Y424F169-V421 HydrophobicContact CD1-CG2 3.63Å; F169-V421 HydrophobicContact CE1-CG2 3.81Å; G172-V421 VanDerWaalsContact C-CG1 3.5Å; L173-V421 HydrophobicContact CD2-CG1 4.13Å; L173-V421 HydrophobicContact CG-CG1 4.27Å; F374-V421 HydrophobicContact CE2-CG1 4.3Å; F374-V421 HydrophobicContact CZ-CG1 3.97Å; F378-V421 HydrophobicContact CD2-CG1 3.94Å; F378-V421 HydrophobicContact CD2-CG2 4.12Å; F378-V421 HydrophobicContact CE2-CG1 3.86Å; F378-V421 HydrophobicContact CE2-CG2 4.12Å; I417-V421 WeakPolarHBondContact O-CG2 3.01Å; I417-V421 PolarHBondContact O-N 2.93Å; D419-V421 VanDerWaalsContact C-N 3.25Å; D419-V421 PolarHBondContact O-N 3.22Å; V421-Q423 VanDerWaalsContact C-N 3.35Å; V421-Q423 PolarHBondContact O-N 2.92Å; V421-Y424 PolarHBondContact O-N 3.48Å
422G87.9Confident75.1Confident7 Ų723.2 Ų23.27%0.07215%0.152CC..Hα-helixtrans-62.9-42.3-174.600000111.9G172 Q418G172-G422 VanDerWaalsContact O-CA 3.3Å; G172-G422 WeakPolarHBondContact O-CA 3.34Å; Q418-G422 WeakPolarHBondContact O-CA 3.38Å; Q418-G422 PolarHBondContact O-N 3.28Å
423Q78.8Confident72.9Confident19 Ų1925.9 Ų25.99%0.08918%0.181CC..THydrogen-bonded Turntrans-91.1-0.7-175.7-50.6-173.121.300113D419 V421 Q425 C426 S429D419-Q423 VanDerWaalsContact CG-NE2 3.29Å; D419-Q423 WeakPolarHBondContact O-CA 3.48Å; D419-Q423 WeakPolarHBondContact O-CB 3.44Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.92Å; D419-Q423 PolarHBondContact OD1-NE2 3.46Å; V421-Q423 VanDerWaalsContact C-N 3.35Å; V421-Q423 PolarHBondContact O-N 2.92Å; Q423-Q425 PolarHBondContact O-N 2.79Å; Q423-Q425 VanDerWaalsContact O-N 3.16Å; Q423-C426 HydrophobicContact CB-CB 4.5Å; Q423-C426 WeakPolarHBondContact O-CB 3.39Å; Q423-C426 PolarHBondContact O-N 3.35Å; Q423-S429 VanDerWaalsContact C-OG 3.28Å; Q423-S429 WeakPolarHBondContact CB-OG 3.29Å; Q423-S429 WeakPolarHBondContact O-CB 3.39Å; Q423-S429 PolarHBondContact O-OG 3.35Å
424Y79.7Confident70.8Confident1 Ų127.2 Ų27.20%0.00419%0.194CC..THydrogen-bonded Turntrans-49.3121.8-174.7180-89.5000113.8R176 I372 F374 F377 V421 C426 T431R176-Y424 PolarHBondContact NH1-O 3.43Å; I372-Y424 VanDerWaalsContact CG2-OH 3.29Å; I372-Y424 WeakPolarHBondContact CG2-OH 3.3Å; I372-Y424 PolarHBondContact O-OH 3.5Å; F374-Y424 HydrophobicContact CB-CD1 4.25Å; F374-Y424 HydrophobicContact CB-CE1 4.16Å; F374-Y424 AromaticContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CE1 4.25Å; F374-Y424 AromaticContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CE2-CG 4.35Å; F374-Y424 HydrophobicContact CG-CD1 4.39Å; F377-Y424 HydrophobicContact CB-CD2 4.04Å; F377-Y424 HydrophobicContact CB-CE2 3.48Å; F377-Y424 VanDerWaalsContact CB-CE2 3.48Å; F377-Y424 AromaticContact CD1-CD2 3.25Å; F377-Y424 HydrophobicContact CD1-CD2 3.25Å; F377-Y424 AromaticContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CG 4.11Å; F377-Y424 AromaticContact CD2-CD2 3.97Å; F377-Y424 HydrophobicContact CD2-CD2 3.97Å; F377-Y424 AromaticContact CD2-CE2 3.66Å; F377-Y424 HydrophobicContact CD2-CE2 3.66Å; F377-Y424 AromaticContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CE2 4.31Å; F377-Y424 HydrophobicContact CE2-CD2 4.31Å; F377-Y424 HydrophobicContact CE2-CE2 4.34Å; F377-Y424 AromaticContact CG-CD2 3.44Å; F377-Y424 HydrophobicContact CG-CD2 3.44Å; F377-Y424 VanDerWaalsContact CG-CD2 3.44Å; F377-Y424 AromaticContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CZ-CD2 4.17Å; V421-Y424 PolarHBondContact O-N 3.48Å; Y424-C426 PolarHBondContact O-N 3.1Å; Y424-T431 WeakPolarHBondContact CA-OG1 3.37Å; Y424-T431 WeakPolarHBondContact CD2-OG1 3.42Å; Y424-T431 VanDerWaalsContact CE2-O 3.23Å; Y424-T431 WeakPolarHBondContact CE2-O 3.42Å
425Q72.9Confident68.9Low103 Ų10329.8 Ų29.848%0.48121%0.212SC..THydrogen-bonded Turntrans53.116.2-176.4-67.7178.1-7.200115.8Q423Q423-Q425 PolarHBondContact O-N 2.79Å; Q423-Q425 VanDerWaalsContact O-N 3.16Å
426C62.9Low67.7Low15 Ų1528.7 Ų28.710%0.10120%0.204CC..  trans-56.4149.4163.4179.30000109.4C181 Q423 Y424 G428 S429C181-C426 WeakPolarHBondContact CA-SG 2.91Å; C181-C426 HydrophobicContact CB-CB 4.32Å; C181-C426 WeakPolarHBondContact CB-SG 3.35Å; C181-C426 WeakPolarHBondContact SG-CB 3.25Å; C181-C426 CovalentContact SG-SG 2.01Å; C181-C426 PolarHBondContact SG-SG 3.32Å; Q423-C426 HydrophobicContact CB-CB 4.5Å; Q423-C426 WeakPolarHBondContact O-CB 3.39Å; Q423-C426 PolarHBondContact O-N 3.35Å; Y424-C426 PolarHBondContact O-N 3.1Å; C426-G428 PolarHBondContact O-N 3.16Å; C426-S429 VanDerWaalsContact O-CB 3.25Å; C426-S429 WeakPolarHBondContact O-CB 3.45Å; C426-S429 PolarHBondContact O-N 3.1Å
427A50.3Low66.6Low93 Ų9334.9 Ų34.977%0.76923%0.231SC*.THydrogen-bonded Turntrans-53.611317900000110.6
428G51.3Low66.1Low31 Ų3135.4 Ų35.432%0.3223%0.234SC..THydrogen-bonded Turntrans89.24.7-174.900000116T184 S334 C426T184-G428 WeakPolarHBondContact CG2-O 3.45Å; S334-G428 WeakPolarHBondContact CB-O 3.43Å; S334-G428 PolarHBondContact OG-O 3.06Å; C426-G428 PolarHBondContact O-N 3.16Å
429S49.7Very low65.7Low21 Ų2141.2 Ų41.215%0.14726%0.261CS..  trans-96.7166.4-179.7-176.50000114.6Q423 C426Q423-S429 VanDerWaalsContact C-OG 3.28Å; Q423-S429 WeakPolarHBondContact CB-OG 3.29Å; Q423-S429 WeakPolarHBondContact O-CB 3.39Å; Q423-S429 PolarHBondContact O-OG 3.35Å; C426-S429 VanDerWaalsContact O-CB 3.25Å; C426-S429 WeakPolarHBondContact O-CB 3.45Å; C426-S429 PolarHBondContact O-N 3.1Å
430V54.2Low65.9Low4 Ų441.8 Ų41.82%0.02428%0.275CS..SBendtrans-94.9-32-135.2172.50000113.3I330 Y333 L360I330-V430 HydrophobicContact CG2-CB 4.16Å; I330-V430 HydrophobicContact CG2-CG1 3.68Å; I330-V430 HydrophobicContact CG2-CG2 4.25Å; I330-V430 WeakPolarHBondContact O-CG2 3.27Å; Y333-V430 HydrophobicContact CD1-CB 4.11Å; Y333-V430 HydrophobicContact CD1-CG1 3.51Å; Y333-V430 HydrophobicContact CD1-CG2 4.32Å; Y333-V430 HydrophobicContact CD2-CG1 4.29Å; Y333-V430 HydrophobicContact CE1-CG1 4.22Å; Y333-V430 HydrophobicContact CG-CB 4.49Å; Y333-V430 HydrophobicContact CG-CG1 3.55Å; L360-V430 HydrophobicContact CD1-CG1 4.02Å; L360-V430 HydrophobicContact CD2-CG1 3.54Å; L360-V430 HydrophobicContact CG-CG1 4.39Å
431T48.5Very low66.1Low1 Ų143 Ų431%0.00628%0.281CS..SBendtrans-102.37.8-153.339.10000115.6L360 F377 Y424L360-T431 HydrophobicContact CD2-CG2 3.71Å; F377-T431 HydrophobicContact CE1-CG2 4.22Å; F377-T431 HydrophobicContact CE2-CG2 3.66Å; F377-T431 VanDerWaalsContact CZ-CB 3.48Å; F377-T431 HydrophobicContact CZ-CG2 3.34Å; Y424-T431 WeakPolarHBondContact CA-OG1 3.37Å; Y424-T431 WeakPolarHBondContact CD2-OG1 3.42Å; Y424-T431 VanDerWaalsContact CE2-O 3.23Å; Y424-T431 WeakPolarHBondContact CE2-O 3.42Å
432G43Very low66.2Low17 Ų1750.5 Ų50.518%0.17531%0.309CS..SBendtrans-151.921.9-170.400000118.8
433G42Very low66.4Low69 Ų6952 Ų5271%0.71132%0.321SS*.SBendtrans179.4-14.6175.400000119S435G433-S435 PolarHBondContact O-N 2.83Å
434A47.5Very low67.1Low42 Ų4254.3 Ų54.335%0.34733%0.329SS..  trans-81.886.5172.900000109.4Y333 R364 L436Y333-A434 HydrophobicContact CE1-CB 4.18Å; Y333-A434 PolarHBondContact OH-O 2.94Å; R364-A434 PolarHBondContact NE-O 3.12Å; A434-L436 PolarHBondContact O-N 2.79Å
435S52.3Low67.7Low54 Ų5460 Ų6038%0.37836%0.355SS..  trans-63.9127.7160.7-169.80000107.6G433 E437G433-S435 PolarHBondContact O-N 2.83Å; S435-E437 PolarHBondContact O-N 2.84Å
436L64.1Low68.7Low15 Ų1556.1 Ų56.18%0.07934%0.338CS..  trans-70.276.8168.2-174.383.1000107.2T337 L340 T354 A434 L438T337-L436 HydrophobicContact CG2-CD1 4.08Å; L340-L436 HydrophobicContact CD2-CD1 3.4Å; L340-L436 HydrophobicContact CD2-CD2 4.14Å; L340-L436 HydrophobicContact CD2-CG 4.32Å; L340-L436 HydrophobicContact CG-CD1 4.2Å; T354-L436 HydrophobicContact CG2-CD2 3.54Å; A434-L436 PolarHBondContact O-N 2.79Å; L436-L438 HydrophobicContact CD1-CD2 3.96Å; L436-L438 HydrophobicContact CD2-CD1 4.22Å; L436-L438 HydrophobicContact CD2-CD2 4.14Å; L436-L438 HydrophobicContact CD2-CG 4.05Å; L436-L438 HydrophobicContact CG-CD2 3.82Å; L436-L438 HydrophobicContact CG-CG 4Å; L436-L438 PolarHBondContact O-N 2.75Å
437E66.1Low70.2Confident152 Ų15256.9 Ų56.971%0.7134%0.343SS*.  trans-84.396.2171.1-68.2-172174.300107.3S435 E439S435-E437 PolarHBondContact O-N 2.84Å; E437-E439 PolarHBondContact O-N 3.3Å
438L82.7Confident72.3Confident11 Ų1157.6 Ų57.66%0.05834%0.342CS..  trans-76.383.1169.5-59.6-173.9000108.1L340 V344 V352 L436 G440 F441 W488L340-L438 HydrophobicContact CD2-CD2 4.18Å; L340-L438 HydrophobicContact CG-CD2 4.05Å; V344-L438 HydrophobicContact CG1-CB 4.47Å; V344-L438 HydrophobicContact CG1-CD2 4.46Å; V344-L438 HydrophobicContact CG2-CD2 4.07Å; V352-L438 HydrophobicContact CB-CD1 4.03Å; V352-L438 HydrophobicContact CG1-CD1 3.82Å; V352-L438 HydrophobicContact CG2-CD1 4.35Å; L436-L438 HydrophobicContact CD1-CD2 3.96Å; L436-L438 HydrophobicContact CD2-CD1 4.22Å; L436-L438 HydrophobicContact CD2-CD2 4.14Å; L436-L438 HydrophobicContact CD2-CG 4.05Å; L436-L438 HydrophobicContact CG-CD2 3.82Å; L436-L438 HydrophobicContact CG-CG 4Å; L436-L438 PolarHBondContact O-N 2.75Å; L438-G440 PolarHBondContact O-N 3.39Å; L438-F441 HydrophobicContact CB-CB 3.75Å; L438-F441 HydrophobicContact CB-CD2 4.42Å; L438-F441 HydrophobicContact CB-CG 4.21Å; L438-F441 WeakPolarHBondContact O-CB 3.2Å; L438-F441 PolarHBondContact O-N 3.03Å; L438-W488 HydrophobicContact CD1-CB 3.84Å; L438-W488 HydrophobicContact CD1-CD2 3.75Å; L438-W488 HydrophobicContact CD1-CE3 4.37Å; L438-W488 HydrophobicContact CD1-CG 3.47Å; L438-W488 VanDerWaalsContact CD1-CG 3.47Å
439E82.7Confident74.4Confident175 Ų17560 Ų6082%0.81834%0.344SS*.THydrogen-bonded Turntrans-52.1128.6-179.8-169.8-176.6176.500110.9E437 F441E437-E439 PolarHBondContact O-N 3.3Å; E439-F441 VanDerWaalsContact C-N 3.31Å
440G89.3Confident76.5Confident47 Ų4759 Ų5949%0.48534%0.337SS..THydrogen-bonded Turntrans79.87.3-176.300000114.8L438 P490 V491L438-G440 PolarHBondContact O-N 3.39Å; G440-P490 CarbonylContact O-C 3.57Å; G440-P490 WeakPolarHBondContact O-CA 3.15Å; G440-V491 PolarHBondContact O-N 2.67Å
441F92.6Very high78.5Confident27 Ų2759.3 Ų59.312%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-117.9152175.1-72.3-111.4000111.4V344 P349 V352 L438 E439 W488 T489 P490V344-F441 HydrophobicContact CG1-CD2 3.54Å; V344-F441 HydrophobicContact CG1-CE2 3.31Å; V344-F441 HydrophobicContact CG1-CG 4.45Å; V344-F441 HydrophobicContact CG1-CZ 4.01Å; P349-F441 HydrophobicContact CG-CE1 4.19Å; P349-F441 HydrophobicContact CG-CZ 3.89Å; P349-F441 VanDerWaalsContact O-CE1 3.24Å; P349-F441 WeakPolarHBondContact O-CE1 3.48Å; P349-F441 VanDerWaalsContact O-CZ 3.23Å; P349-F441 WeakPolarHBondContact O-CZ 3.42Å; V352-F441 HydrophobicContact CG2-CD1 3.99Å; V352-F441 HydrophobicContact CG2-CE1 3.67Å; V352-F441 HydrophobicContact CG2-CZ 4.28Å; L438-F441 HydrophobicContact CB-CB 3.75Å; L438-F441 HydrophobicContact CB-CD2 4.42Å; L438-F441 HydrophobicContact CB-CG 4.21Å; L438-F441 WeakPolarHBondContact O-CB 3.2Å; L438-F441 PolarHBondContact O-N 3.03Å; E439-F441 VanDerWaalsContact C-N 3.31Å; F441-W488 HydrophobicContact CB-CB 4.2Å; F441-W488 HydrophobicContact CD1-CB 4.15Å; F441-T489 CarbonylContact C-O 3.57Å; F441-T489 VanDerWaalsContact CA-O 3.29Å; F441-T489 WeakPolarHBondContact CA-O 3.36Å; F441-T489 VanDerWaalsContact CD1-C 3.42Å; F441-P490 HydrophobicContact CD1-CG 4.38Å; F441-P490 HydrophobicContact CE1-CG 3.73Å; F441-P490 HydrophobicContact CZ-CG 3.88Å
442R91.8Very high80.8Confident156 Ų15661.9 Ų61.959%0.58936%0.36SS*.EExtended strand (participates in β ladder)trans-124.4148171.263.9179-179179.61.3110.5R444 W488 T489 V491R442-R444 PolarHBondContact O-N 3.43Å; R442-W488 VanDerWaalsContact O-CA 3.32Å; R442-W488 WeakPolarHBondContact O-CA 3.37Å; R442-T489 PolarHBondContact N-O 3.45Å; R442-T489 PolarHBondContact O-N 2.92Å; R442-V491 HydrophobicContact CB-CG2 3.82Å; R442-V491 HydrophobicContact CG-CG2 3.94Å
443A91.7Very high83.3Confident40 Ų4063.1 Ų63.133%0.33136%0.362SS..EExtended strand (participates in β ladder)trans-60135.5171.500000109.9V487 W488A443-V487 CarbonylContact C-O 3.56Å; A443-V487 WeakPolarHBondContact CA-O 3.09Å; A443-W488 HydrophobicContact CB-CE3 4.12Å; A443-W488 HydrophobicContact CB-CZ3 4.07Å
444R93.1Very high85.9Confident66 Ų6660 Ų6025%0.24933%0.329CS..PPolyproline II helixtrans-103130.2176-175.5-179.676.2175.22.8107.9A219 R442 M446 G471 V487 T489A219-R444 PolarHBondContact O-NH2 2.72Å; R442-R444 PolarHBondContact O-N 3.43Å; R444-M446 PolarHBondContact O-N 2.96Å; R444-G471 VanDerWaalsContact O-CA 3.24Å; R444-G471 WeakPolarHBondContact O-CA 3.31Å; R444-V487 HydrophobicContact CB-CB 4.43Å; R444-V487 HydrophobicContact CB-CG1 4.1Å; R444-V487 PolarHBondContact N-O 3.35Å; R444-T489 HydrophobicContact CB-CG2 4.17Å; R444-T489 HydrophobicContact CG-CG2 4.42Å
445E93.6Very high88.3Confident120 Ų12064.2 Ų64.256%0.56134%0.336SS*.PPolyproline II helixtrans-55.6138.6172.7-73.1-57.5142.100111.8G471E445-G471 PolarHBondContact OE1-N 2.99Å
446M93Very high90.4Very high23 Ų2366.8 Ų66.811%0.11334%0.343CS..PPolyproline II helixtrans-70.9141.7177.7-65.3-71.1162.100109.5R444 V451 G471 L473 V485 V487R444-M446 PolarHBondContact O-N 2.96Å; M446-V451 HydrophobicContact CB-CG2 4.21Å; M446-G471 WeakPolarHBondContact CE-O 3.21Å; M446-L473 HydrophobicContact CG-CB 4.09Å; M446-L473 HydrophobicContact SD-CB 4.42Å; M446-V485 WeakPolarHBondContact CE-O 3.44Å; M446-V487 HydrophobicContact CE-CB 3.79Å; M446-V487 HydrophobicContact CE-CG2 3.37Å; M446-V487 HydrophobicContact SD-CG2 3.86Å
447S94.3Very high91.9Very high30 Ų3066.9 Ų66.921%0.2134%0.344CS..PPolyproline II helixtrans-66153175.477.50000110.8E222 F449 S450 V451E222-S447 VanDerWaalsContact CD-OG 3.29Å; E222-S447 VanDerWaalsContact OE1-CB 3.25Å; E222-S447 WeakPolarHBondContact OE1-CB 3.36Å; E222-S447 PolarHBondContact OE1-OG 2.89Å; E222-S447 VanDerWaalsContact OE2-CB 3.26Å; E222-S447 WeakPolarHBondContact OE2-CB 3.48Å; E222-S447 PolarHBondContact OE2-OG 2.84Å; S447-F449 PolarHBondContact O-N 3.28Å; S447-F449 PolarHBondContact OG-N 3.37Å; S447-S450 PolarHBondContact O-N 3.02Å; S447-S450 PolarHBondContact OG-N 3.08Å; S447-S450 PolarHBondContact OG-OG 2.92Å; S447-S450 VanDerWaalsContact OG-OG 3.13Å; S447-V451 WeakPolarHBondContact O-CG2 3.47Å; S447-V451 PolarHBondContact O-N 3.35Å; S447-V451 VanDerWaalsContact O-N 3.08Å
448S95.3Very high93.3Very high109 Ų10959.7 Ų59.776%0.76231%0.31SS*.Hα-helixtrans-58.6-28.8172.651.60000112A452S448-A452 WeakPolarHBondContact O-CB 3.43Å; S448-A452 PolarHBondContact O-N 2.98Å
449F94.6Very high93.8Very high81 Ų8162.1 Ų62.136%0.35534%0.338SS..Hα-helixtrans-68.4-48.9174.7-171.9-87.5000112I33 Q218 S447 V451 A452 Q453I33-F449 HydrophobicContact CD1-CD2 4.46Å; I33-F449 HydrophobicContact CD1-CE2 3.49Å; I33-F449 VanDerWaalsContact CD1-CE2 3.49Å; I33-F449 HydrophobicContact CD1-CZ 4.15Å; Q218-F449 VanDerWaalsContact CD-CE1 3.42Å; Q218-F449 HydrophobicContact CG-CD1 3.79Å; Q218-F449 HydrophobicContact CG-CE1 4.22Å; Q218-F449 VanDerWaalsContact OE1-CE1 3.24Å; S447-F449 PolarHBondContact O-N 3.28Å; S447-F449 PolarHBondContact OG-N 3.37Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.92Å; F449-A452 PolarHBondContact O-N 3.18Å; F449-A452 VanDerWaalsContact O-N 3.14Å; F449-Q453 WeakPolarHBondContact O-CB 3.32Å; F449-Q453 PolarHBondContact O-N 2.01Å
450S95Very high94.2Very high1 Ų159.5 Ų59.51%0.00733%0.329CS..Hα-helixtrans-57.2-42.6174.8-61.50000111.5Q218 S447 Q453 G454 L473Q218-S450 WeakPolarHBondContact CG-OG 3.42Å; S447-S450 PolarHBondContact O-N 3.02Å; S447-S450 PolarHBondContact OG-N 3.08Å; S447-S450 PolarHBondContact OG-OG 2.92Å; S447-S450 VanDerWaalsContact OG-OG 3.13Å; S450-Q453 PolarHBondContact O-N 2.98Å; S450-G454 PolarHBondContact O-N 2.93Å; S450-L473 WeakPolarHBondContact O-CD2 3.38Å
451V96.4Very high94.4Very high9 Ų959 Ų596%0.05531%0.314CS..Hα-helixtrans-63.7-43.9176.9177.70000111.3M446 S447 F449 R455 H468 L473M446-V451 HydrophobicContact CB-CG2 4.21Å; S447-V451 WeakPolarHBondContact O-CG2 3.47Å; S447-V451 PolarHBondContact O-N 3.35Å; S447-V451 VanDerWaalsContact O-N 3.08Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.92Å; V451-R455 WeakPolarHBondContact O-CB 3.36Å; V451-R455 WeakPolarHBondContact O-CG 3.31Å; V451-R455 PolarHBondContact O-N 3.33Å; V451-H468 HydrophobicContact CG2-CB 4.17Å; V451-L473 HydrophobicContact CB-CD1 4.43Å; V451-L473 HydrophobicContact CG2-CD1 3.9Å
452A96.7Very high94.3Very high55 Ų5561.9 Ų61.946%0.45534%0.337SS..Hα-helixtrans-65.1-43.2178.300000112.1S448 F449 R455 M456S448-A452 WeakPolarHBondContact O-CB 3.43Å; S448-A452 PolarHBondContact O-N 2.98Å; F449-A452 PolarHBondContact O-N 3.18Å; F449-A452 VanDerWaalsContact O-N 3.14Å; A452-R455 PolarHBondContact O-N 3.44Å; A452-M456 WeakPolarHBondContact O-CB 3.25Å; A452-M456 PolarHBondContact O-N 3.31Å
453Q95.6Very high94.4Very high44 Ų4456.3 Ų56.321%0.20633%0.328CS..Hα-helixtrans-62.2-46.6176.2-174.4-174.266.500111.3F214 F449 S450 R455 M456 L457F214-Q453 PolarHBondContact O-OE1 3.45Å; F449-Q453 WeakPolarHBondContact O-CB 3.32Å; F449-Q453 PolarHBondContact O-N 2.01Å; S450-Q453 PolarHBondContact O-N 2.98Å; Q453-R455 VanDerWaalsContact C-N 3.33Å; Q453-R455 PolarHBondContact O-N 2.94Å; Q453-M456 PolarHBondContact O-N 3.19Å; Q453-L457 PolarHBondContact O-N 3.36Å
454G95.5Very high94.7Very high2 Ų255.5 Ų55.52%0.02132%0.317CS..Hα-helixtrans-59.2-4317600000112.3S450 L457 A458 V466S450-G454 PolarHBondContact O-N 2.93Å; G454-L457 PolarHBondContact O-N 3.23Å; G454-A458 WeakPolarHBondContact O-CB 3.49Å; G454-A458 PolarHBondContact O-N 3.49Å; G454-V466 WeakPolarHBondContact O-CG2 3.42Å
455R97.1Very high94.9Very high131 Ų13153.6 Ų53.649%0.49432%0.318SS..Hα-helixtrans-64.2-42.1175.7-75.6175.9-179.8146.34.8112.6V451 A452 Q453 A458 G459 V466 H468V451-R455 WeakPolarHBondContact O-CB 3.36Å; V451-R455 WeakPolarHBondContact O-CG 3.31Å; V451-R455 PolarHBondContact O-N 3.33Å; A452-R455 PolarHBondContact O-N 3.44Å; Q453-R455 VanDerWaalsContact C-N 3.33Å; Q453-R455 PolarHBondContact O-N 2.94Å; R455-A458 PolarHBondContact O-N 3.16Å; R455-G459 PolarHBondContact O-N 2.92Å; R455-V466 HydrophobicContact CG-CB 4.28Å; R455-H468 PolarHBondContact NH2-CD2 3.28Å; R455-H468 VanDerWaalsContact NH2-CD2 3.35Å; R455-H468 PolarHBondContact NH2-NE2 2.85Å
456M96.9Very high95.1Very high108 Ų10849 Ų4953%0.53230%0.298SS..Hα-helixtrans-61.3-48.9177179.9179.4172.900110.8A31 A452 Q453 G459 L460A31-M456 HydrophobicContact CB-CE 3.61Å; A31-M456 HydrophobicContact CB-SD 3.68Å; A452-M456 WeakPolarHBondContact O-CB 3.25Å; A452-M456 PolarHBondContact O-N 3.31Å; Q453-M456 PolarHBondContact O-N 3.19Å; M456-G459 PolarHBondContact O-N 3.36Å; M456-L460 PolarHBondContact O-N 3.12Å
457L95.1Very high95.2Very high17 Ų1751.4 Ų51.49%0.08931%0.314CS..Hα-helixtrans-60.1-49177.317768.5000111.5K210 F211 F214 Q453 G454 G459 L460 F461K210-L457 HydrophobicContact CB-CD1 4.08Å; K210-L457 HydrophobicContact CB-CD2 3.83Å; K210-L457 HydrophobicContact CD-CD1 4.38Å; F211-L457 HydrophobicContact CB-CD2 3.8Å; F211-L457 VanDerWaalsContact N-CD2 3.32Å; F214-L457 HydrophobicContact CD2-CD2 4.26Å; Q453-L457 PolarHBondContact O-N 3.36Å; G454-L457 PolarHBondContact O-N 3.23Å; L457-G459 PolarHBondContact O-N 3.09Å; L457-L460 HydrophobicContact CD1-CD1 4.39Å; L457-L460 WeakPolarHBondContact O-CB 3.24Å; L457-L460 PolarHBondContact O-N 2.67Å; L457-F461 HydrophobicContact CD1-CE2 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.47Å
458A95.5Very high95.1Very high1 Ų154.4 Ų54.41%0.00833%0.325CS..Hα-helixtrans-60.1-35178.200000112G454 R455 L460 F461 F464 V466 L475G454-A458 WeakPolarHBondContact O-CB 3.49Å; G454-A458 PolarHBondContact O-N 3.49Å; R455-A458 PolarHBondContact O-N 3.16Å; A458-L460 PolarHBondContact O-N 2.74Å; A458-F461 PolarHBondContact O-N 3.08Å; A458-F464 HydrophobicContact CB-CB 4.16Å; A458-V466 HydrophobicContact CB-CG2 3.87Å; A458-L475 HydrophobicContact CB-CD1 4.15Å
459G94Very high94.8Very high63 Ų6350.7 Ų50.765%0.64930%0.304SS*.Hα-helixtrans-64-18.2176.200000114.9R455 M456 L457 F461R455-G459 PolarHBondContact O-N 2.92Å; M456-G459 PolarHBondContact O-N 3.36Å; L457-G459 PolarHBondContact O-N 3.09Å; G459-F461 PolarHBondContact O-N 3.48Å
460L92.2Very high94.3Very high119 Ų11953.1 Ų53.162%0.62332%0.32SS*.THydrogen-bonded Turntrans-74.4-16.5172.7-57.6178.5000112.6M456 L457 A458M456-L460 PolarHBondContact O-N 3.12Å; L457-L460 HydrophobicContact CD1-CD1 4.39Å; L457-L460 WeakPolarHBondContact O-CB 3.24Å; L457-L460 PolarHBondContact O-N 2.67Å; A458-L460 PolarHBondContact O-N 2.74Å
461F92Very high93.9Very high38 Ų3853.1 Ų53.117%0.16732%0.32CS..SBendtrans-120111.9-177-60.6-93.5000110.2P207 L457 A458 G459 G463 F464P207-F461 HydrophobicContact CB-CD2 3.66Å; P207-F461 HydrophobicContact CB-CE2 3.77Å; P207-F461 HydrophobicContact CB-CG 4.08Å; P207-F461 HydrophobicContact CB-CZ 4.27Å; P207-F461 HydrophobicContact CG-CB 4.25Å; P207-F461 HydrophobicContact CG-CD1 4.28Å; P207-F461 HydrophobicContact CG-CD2 4.04Å; P207-F461 HydrophobicContact CG-CE2 4.47Å; P207-F461 HydrophobicContact CG-CG 3.94Å; L457-F461 HydrophobicContact CD1-CE2 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.47Å; A458-F461 PolarHBondContact O-N 3.08Å; G459-F461 PolarHBondContact O-N 3.48Å; F461-G463 PolarHBondContact O-N 3.28Å; F461-F464 HydrophobicContact CB-CB 4.29Å; F461-F464 HydrophobicContact CB-CD2 3.42Å; F461-F464 VanDerWaalsContact CB-CD2 3.42Å; F461-F464 HydrophobicContact CB-CE2 4.01Å; F461-F464 HydrophobicContact CB-CG 4.11Å; F461-F464 HydrophobicContact CG-CD2 4.49Å; F461-F464 WeakPolarHBondContact O-CB 3.37Å; F461-F464 PolarHBondContact O-N 3.08Å; F461-F464 VanDerWaalsContact O-N 3.12Å
462S90.6Very high93.7Very high87 Ų8753.5 Ų53.561%0.60832%0.321SS*.THydrogen-bonded Turntrans-56.5128.6-176.7650000112.1S394 F464 W477S394-S462 PolarHBondContact OG-OG 3.37Å; S462-F464 VanDerWaalsContact C-N 3.34Å; S462-W477 WeakPolarHBondContact O-CZ3 3.41Å
463G94.3Very high93.7Very high39 Ų3950.9 Ų50.940%0.40230%0.299SS..THydrogen-bonded Turntrans91.2-10.9178.500000114.8F461 K478F461-G463 PolarHBondContact O-N 3.28Å; G463-K478 PolarHBondContact O-N 3.23Å
464F97.5Very high93.7Very high22 Ų2249.1 Ų49.110%0.09629%0.292CS..EExtended strand (participates in β ladder)trans-83.3153.3171.4-71.9-92.8000112.1P207 F208 S391 A458 F461 S462 L475 C476 W477P207-F464 HydrophobicContact CG-CD1 3.62Å; P207-F464 HydrophobicContact CG-CD2 3.95Å; P207-F464 HydrophobicContact CG-CE1 3.41Å; P207-F464 VanDerWaalsContact CG-CE1 3.41Å; P207-F464 HydrophobicContact CG-CE2 3.76Å; P207-F464 HydrophobicContact CG-CG 3.86Å; P207-F464 HydrophobicContact CG-CZ 3.45Å; P207-F464 VanDerWaalsContact CG-CZ 3.45Å; F208-F464 HydrophobicContact CE2-CZ 4.48Å; F208-F464 HydrophobicContact CZ-CE1 4.26Å; S391-F464 VanDerWaalsContact CB-CZ 3.48Å; A458-F464 HydrophobicContact CB-CB 4.16Å; F461-F464 HydrophobicContact CB-CB 4.29Å; F461-F464 HydrophobicContact CB-CD2 3.42Å; F461-F464 VanDerWaalsContact CB-CD2 3.42Å; F461-F464 HydrophobicContact CB-CE2 4.01Å; F461-F464 HydrophobicContact CB-CG 4.11Å; F461-F464 HydrophobicContact CG-CD2 4.49Å; F461-F464 WeakPolarHBondContact O-CB 3.37Å; F461-F464 PolarHBondContact O-N 3.08Å; F461-F464 VanDerWaalsContact O-N 3.12Å; S462-F464 VanDerWaalsContact C-N 3.34Å; F464-L475 HydrophobicContact CB-CD1 4.42Å; F464-L475 HydrophobicContact CD1-CD1 3.9Å; F464-L475 HydrophobicContact CD1-CD2 4.09Å; F464-L475 HydrophobicContact CD1-CG 3.93Å; F464-L475 HydrophobicContact CE1-CD2 4.13Å; F464-L475 HydrophobicContact CE1-CG 4.39Å; F464-C476 CarbonylContact C-O 3.46Å; F464-C476 VanDerWaalsContact CA-O 3.25Å; F464-C476 WeakPolarHBondContact CA-O 3.47Å; F464-W477 HydrophobicContact CD1-CE3 4.35Å; F464-W477 AromaticContact CD2-CE3 3.8Å; F464-W477 HydrophobicContact CD2-CE3 3.8Å; F464-W477 AromaticContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CE1-CE3 4.3Å; F464-W477 AromaticContact CE2-CE3 3.74Å; F464-W477 HydrophobicContact CE2-CE3 3.74Å; F464-W477 AromaticContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CG-CE3 4.15Å; F464-W477 HydrophobicContact CZ-CE3 4.03Å; F464-W477 HydrophobicContact CZ-CZ3 4.39Å
465G97.3Very high93.8Very high26 Ų2649 Ų4927%0.26829%0.291SS..EExtended strand (participates in β ladder)trans-153.7-176.1173.900000110.7C476G465-C476 PolarHBondContact N-O 2.95Å; G465-C476 PolarHBondContact O-N 3.39Å
466V97.4Very high93.9Very high23 Ų2342.9 Ų42.914%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-134.6134.5179176.50000110.4F211 G454 R455 A458 L473 A474F211-V466 HydrophobicContact CD2-CG2 4.37Å; F211-V466 HydrophobicContact CE2-CG1 4.24Å; F211-V466 HydrophobicContact CE2-CG2 3.77Å; G454-V466 WeakPolarHBondContact O-CG2 3.42Å; R455-V466 HydrophobicContact CG-CB 4.28Å; A458-V466 HydrophobicContact CB-CG2 3.87Å; V466-L473 HydrophobicContact CG1-CD1 3.21Å; V466-L473 HydrophobicContact CG1-CD2 4.23Å; V466-L473 HydrophobicContact CG1-CG 3.55Å; V466-A474 VanDerWaalsContact CA-O 3.27Å; V466-A474 WeakPolarHBondContact CA-O 3.45Å
467V94.9Very high93.9Very high74 Ų7438.3 Ų38.345%0.44825%0.245SC..EExtended strand (participates in β ladder)trans-111.4139.6170.4173.90000108.4A474 C476V467-A474 PolarHBondContact N-O 3.47Å; V467-A474 PolarHBondContact O-N 3.34Å; V467-C476 WeakPolarHBondContact CG2-SG 3.47Å
468H93.1Very high93.9Very high94 Ų9443.4 Ų43.444%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-128.9143.3176.268.987.8000110.5V451 R455 R472 L473V451-H468 HydrophobicContact CG2-CB 4.17Å; R455-H468 PolarHBondContact NH2-CD2 3.28Å; R455-H468 VanDerWaalsContact NH2-CD2 3.35Å; R455-H468 PolarHBondContact NH2-NE2 2.85Å; H468-R472 VanDerWaalsContact CA-O 3.29Å; H468-R472 WeakPolarHBondContact CA-O 3.29Å; H468-L473 HydrophobicContact CB-CD1 3.53Å
469G89.4Confident93.7Very high31 Ų3148.4 Ų48.432%0.3230%0.301SS..EExtended strand (participates in β ladder)trans168.1157-179.800000111.6G471 R472G469-G471 VanDerWaalsContact C-N 3.26Å; G469-G471 PolarHBondContact O-N 3.36Å; G469-R472 PolarHBondContact N-O 3.32Å; G469-R472 VanDerWaalsContact N-O 3.08Å; G469-R472 WeakPolarHBondContact O-CA 2.85Å; G469-R472 VanDerWaalsContact O-CB 3.27Å; G469-R472 WeakPolarHBondContact O-CB 2.98Å; G469-R472 PolarHBondContact O-N 2.96Å
470D84.1Confident93.8Very high132 Ų13248.5 Ų48.571%0.70628%0.282SS*.THydrogen-bonded Turntrans53.536178.3-54.9-43.7000114.5R472D470-R472 VanDerWaalsContact C-N 3.35Å; D470-R472 WeakPolarHBondContact O-CG 3.49Å
471G86.7Confident93.9Very high0 Ų044.7 Ų44.70%026%0.264CS..THydrogen-bonded Turntrans70.925.1-174.800000115.4R444 E445 M446 G469 V487R444-G471 VanDerWaalsContact O-CA 3.24Å; R444-G471 WeakPolarHBondContact O-CA 3.31Å; E445-G471 PolarHBondContact OE1-N 2.99Å; M446-G471 WeakPolarHBondContact CE-O 3.21Å; G469-G471 VanDerWaalsContact C-N 3.26Å; G469-G471 PolarHBondContact O-N 3.36Å; G471-V487 PolarHBondContact O-N 2.94Å
472R91.2Very high94.1Very high18 Ų1843 Ų437%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-130.7151.8-174.5-49.3171.149.1106.64.8111.9E356 E358 R361 H468 G469 D470 S484 V485 S486E356-R472 IonicContact OE2-CZ 3.25Å; E356-R472 IonicContact OE2-NH1 3.63Å; E356-R472 PolarHBondContact OE2-NH1 3.45Å; E356-R472 IonicContact OE2-NH2 3.18Å; E358-R472 IonicContact OE2-NH2 2.66Å; E358-R472 PolarHBondContact OE2-NH2 3.36Å; R361-R472 VanDerWaalsContact CD-NH1 3.33Å; R361-R472 VanDerWaalsContact CZ-NE 3.34Å; R361-R472 VanDerWaalsContact CZ-NH2 3.32Å; R361-R472 VanDerWaalsContact NH1-NE 3.13Å; H468-R472 VanDerWaalsContact CA-O 3.29Å; H468-R472 WeakPolarHBondContact CA-O 3.29Å; G469-R472 PolarHBondContact N-O 3.32Å; G469-R472 VanDerWaalsContact N-O 3.08Å; G469-R472 WeakPolarHBondContact O-CA 2.85Å; G469-R472 VanDerWaalsContact O-CB 3.27Å; G469-R472 WeakPolarHBondContact O-CB 2.98Å; G469-R472 PolarHBondContact O-N 2.96Å; D470-R472 VanDerWaalsContact C-N 3.35Å; D470-R472 WeakPolarHBondContact O-CG 3.49Å; R472-S484 PolarHBondContact NH2-OG 3.11Å; R472-V485 WeakPolarHBondContact CA-O 3.45Å; R472-S486 WeakPolarHBondContact CG-OG 3.25Å; R472-S486 PolarHBondContact NH1-OG 3.09Å
473L96.6Very high94.3Very high0 Ų039.2 Ų39.20%023%0.23CC..EExtended strand (participates in β ladder)trans-125.9121.5169.4-162.664.4000109F211 T215 M446 S450 V451 V466 H468 S484 V485F211-L473 HydrophobicContact CE2-CD2 4.1Å; F211-L473 HydrophobicContact CE2-CG 4.15Å; F211-L473 HydrophobicContact CZ-CB 4.26Å; F211-L473 HydrophobicContact CZ-CD2 4.16Å; F211-L473 HydrophobicContact CZ-CG 3.85Å; T215-L473 HydrophobicContact CG2-CB 4.09Å; T215-L473 HydrophobicContact CG2-CD2 3.66Å; T215-L473 HydrophobicContact CG2-CG 4.45Å; M446-L473 HydrophobicContact CG-CB 4.09Å; M446-L473 HydrophobicContact SD-CB 4.42Å; S450-L473 WeakPolarHBondContact O-CD2 3.38Å; V451-L473 HydrophobicContact CB-CD1 4.43Å; V451-L473 HydrophobicContact CG2-CD1 3.9Å; V466-L473 HydrophobicContact CG1-CD1 3.21Å; V466-L473 HydrophobicContact CG1-CD2 4.23Å; V466-L473 HydrophobicContact CG1-CG 3.55Å; H468-L473 HydrophobicContact CB-CD1 3.53Å; L473-S484 WeakPolarHBondContact O-CA 3.3Å; L473-V485 PolarHBondContact N-O 3.32Å; L473-V485 PolarHBondContact O-N 2.99Å
474A96.8Very high94.4Very high7 Ų737.4 Ų37.46%0.05821%0.211CC..EExtended strand (participates in β ladder)trans-117.8131.1-176.100000111.7V466 V467 P481 T483 S484V466-A474 VanDerWaalsContact CA-O 3.27Å; V466-A474 WeakPolarHBondContact CA-O 3.45Å; V467-A474 PolarHBondContact N-O 3.47Å; V467-A474 PolarHBondContact O-N 3.34Å; A474-P481 HydrophobicContact CB-CB 3.88Å; A474-T483 CarbonylContact C-O 3.57Å; A474-T483 VanDerWaalsContact CA-O 3.31Å; A474-T483 WeakPolarHBondContact CA-O 3.21Å; A474-S484 WeakPolarHBondContact CB-OG 3.48Å
475L98.1Very high94.3Very high0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans-76.2130168.1-177.570000108.4P207 F208 F211 A458 F464 L482 T483P207-L475 HydrophobicContact CB-CD1 4.49Å; P207-L475 HydrophobicContact CB-CD2 4.09Å; P207-L475 HydrophobicContact CG-CD2 4.01Å; F208-L475 HydrophobicContact CD1-CD2 4.02Å; F208-L475 HydrophobicContact CE1-CD2 4.36Å; F211-L475 HydrophobicContact CB-CB 4.46Å; F211-L475 HydrophobicContact CB-CD1 4.4Å; F211-L475 HydrophobicContact CB-CD2 4.1Å; F211-L475 HydrophobicContact CD1-CB 3.6Å; F211-L475 HydrophobicContact CD2-CB 4.06Å; F211-L475 HydrophobicContact CD2-CD1 4.03Å; F211-L475 HydrophobicContact CE1-CB 3.73Å; F211-L475 HydrophobicContact CE2-CB 4.17Å; F211-L475 HydrophobicContact CG-CB 3.76Å; F211-L475 HydrophobicContact CG-CD1 4.18Å; F211-L475 HydrophobicContact CG-CD2 4.29Å; F211-L475 HydrophobicContact CG-CG 4.3Å; F211-L475 HydrophobicContact CZ-CB 4.01Å; F211-L475 VanDerWaalsContact CZ-N 3.32Å; A458-L475 HydrophobicContact CB-CD1 4.15Å; F464-L475 HydrophobicContact CB-CD1 4.42Å; F464-L475 HydrophobicContact CD1-CD1 3.9Å; F464-L475 HydrophobicContact CD1-CD2 4.09Å; F464-L475 HydrophobicContact CD1-CG 3.93Å; F464-L475 HydrophobicContact CE1-CD2 4.13Å; F464-L475 HydrophobicContact CE1-CG 4.39Å; L475-L482 PolarHBondContact O-N 3.45Å; L475-T483 HydrophobicContact CB-CG2 3.83Å; L475-T483 HydrophobicContact CD2-CG2 4.07Å; L475-T483 PolarHBondContact N-O 2.78Å
476C97.7Very high94.2Very high2 Ų235.1 Ų35.11%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-120.6145.2-175.7-59.20000111.6F464 G465 V467 R480 P481F464-C476 CarbonylContact C-O 3.46Å; F464-C476 VanDerWaalsContact CA-O 3.25Å; F464-C476 WeakPolarHBondContact CA-O 3.47Å; G465-C476 PolarHBondContact N-O 2.95Å; G465-C476 PolarHBondContact O-N 3.39Å; V467-C476 WeakPolarHBondContact CG2-SG 3.47Å; C476-R480 CarbonylContact C-O 3.59Å; C476-R480 WeakPolarHBondContact CA-O 3.42Å; C476-R480 WeakPolarHBondContact CB-O 3.38Å; C476-P481 VanDerWaalsContact SG-CA 3.55Å
477W97.8Very high94.1Very high11 Ų1134 Ų344%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-105.5119163.8176.3-108000109.1E390 S391 S394 S462 F464 S479 R480 L482E390-W477 HydrophobicContact CB-CZ2 4.47Å; E390-W477 HydrophobicContact CG-CZ2 3.9Å; E390-W477 PolarHBondContact OE2-NE1 3Å; S391-W477 VanDerWaalsContact CB-CD2 3.43Å; S391-W477 VanDerWaalsContact CB-CE3 3.43Å; S394-W477 VanDerWaalsContact CB-CH2 3.41Å; S462-W477 WeakPolarHBondContact O-CZ3 3.41Å; F464-W477 HydrophobicContact CD1-CE3 4.35Å; F464-W477 AromaticContact CD2-CE3 3.8Å; F464-W477 HydrophobicContact CD2-CE3 3.8Å; F464-W477 AromaticContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CE1-CE3 4.3Å; F464-W477 AromaticContact CE2-CE3 3.74Å; F464-W477 HydrophobicContact CE2-CE3 3.74Å; F464-W477 AromaticContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CG-CE3 4.15Å; F464-W477 HydrophobicContact CZ-CE3 4.03Å; F464-W477 HydrophobicContact CZ-CZ3 4.39Å; W477-S479 PolarHBondContact O-N 3.4Å; W477-S479 VanDerWaalsContact O-N 3.11Å; W477-R480 PolarHBondContact N-O 2.79Å; W477-R480 WeakPolarHBondContact O-CB 3.42Å; W477-R480 PolarHBondContact O-N 3.07Å; W477-L482 HydrophobicContact CB-CD1 3.6Å; W477-L482 HydrophobicContact CB-CG 4.16Å
478K94.8Very high94.1Very high125 Ų12532.4 Ų32.454%0.54317%0.173SC..THydrogen-bonded Turntrans46.444.1-178.5-62.1178.9177176.40113.4E390 G463 R480E390-K478 VanDerWaalsContact CD-NZ 3.32Å; E390-K478 IonicContact OE1-NZ 2.59Å; E390-K478 PolarHBondContact OE1-NZ 3.49Å; E390-K478 IonicContact OE2-NZ 3.38Å; E390-K478 PolarHBondContact OE2-NZ 3.37Å; G463-K478 PolarHBondContact O-N 3.23Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 3.36Å
479S92.2Very high94.2Very high106 Ų10629.1 Ų29.174%0.74116%0.16SC*.THydrogen-bonded Turntrans75.9-2.8-177.2-36.60000116.9W477 P481W477-S479 PolarHBondContact O-N 3.4Å; W477-S479 VanDerWaalsContact O-N 3.11Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å
480R94.4Very high94.4Very high64 Ų6428.3 Ų28.324%0.24215%0.149CC..EExtended strand (participates in β ladder)trans-87120.5170.2-172.8179.1-159.488.4-2.3110.1E380 Q383 C476 W477 K478 L482E380-R480 IonicContact OE1-CZ 3.22Å; E380-R480 IonicContact OE1-NH2 3.47Å; E380-R480 PolarHBondContact OE1-NH2 3.49Å; E380-R480 IonicContact OE2-NH2 3.91Å; E380-R480 PolarHBondContact OE2-NH2 2.94Å; Q383-R480 VanDerWaalsContact OE1-NH2 3.15Å; C476-R480 CarbonylContact C-O 3.59Å; C476-R480 WeakPolarHBondContact CA-O 3.42Å; C476-R480 WeakPolarHBondContact CB-O 3.38Å; W477-R480 PolarHBondContact N-O 2.79Å; W477-R480 WeakPolarHBondContact O-CB 3.42Å; W477-R480 PolarHBondContact O-N 3.07Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 3.36Å; R480-L482 HydrophobicContact CG-CD2 4.43Å
481P95.5Very high94.7Very high39 Ų3926 Ų2625%0.25314%0.14SC..EExtended strand (participates in β ladder)trans-66137.2173.1-13.727.9000111.3E358 A474 C476 S479E358-P481 HydrophobicContact CG-CB 3.98Å; A474-P481 HydrophobicContact CB-CB 3.88Å; C476-P481 VanDerWaalsContact SG-CA 3.55Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å
482L95.9Very high94.2Very high2 Ų239.6 Ų39.61%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-118.1-45.8-178.2-59.3-175.5000112.2F208 E358 H384 A387 V388 L475 W477 R480F208-L482 HydrophobicContact CE1-CB 3.91Å; F208-L482 HydrophobicContact CE1-CD1 3.74Å; F208-L482 HydrophobicContact CZ-CD1 3.73Å; E358-L482 WeakPolarHBondContact CB-O 3.41Å; E358-L482 PolarHBondContact N-O 3.08Å; H384-L482 PolarHBondContact CE1-O 3.4Å; A387-L482 HydrophobicContact CB-CD2 3.84Å; V388-L482 HydrophobicContact CG2-CD1 4.23Å; V388-L482 HydrophobicContact CG2-CD2 4.16Å; L475-L482 PolarHBondContact O-N 3.45Å; W477-L482 HydrophobicContact CB-CD1 3.6Å; W477-L482 HydrophobicContact CB-CG 4.16Å; R480-L482 HydrophobicContact CG-CD2 4.43Å
483T95.2Very high94.4Very high8 Ų840.7 Ų40.75%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-136147174.8-176.70000109.4F208 F211 E356 A474 L475F208-T483 HydrophobicContact CD1-CG2 3.89Å; F211-T483 HydrophobicContact CD1-CG2 4.19Å; E356-T483 WeakPolarHBondContact O-CA 3.43Å; E356-T483 PolarHBondContact O-OG1 2.99Å; A474-T483 CarbonylContact C-O 3.57Å; A474-T483 VanDerWaalsContact CA-O 3.31Å; A474-T483 WeakPolarHBondContact CA-O 3.21Å; L475-T483 HydrophobicContact CB-CG2 3.83Å; L475-T483 HydrophobicContact CD2-CG2 4.07Å; L475-T483 PolarHBondContact N-O 2.78Å
484S95.1Very high94.3Very high1 Ų142.8 Ų42.81%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-135.4138.5-172.5-74.80000111.4T355 E356 E358 R472 L473 A474T355-S484 WeakPolarHBondContact CA-O 3.46Å; E356-S484 PolarHBondContact N-O 2.95Å; E356-S484 PolarHBondContact O-N 3.08Å; E358-S484 PolarHBondContact OE2-OG 3.21Å; R472-S484 PolarHBondContact NH2-OG 3.11Å; L473-S484 WeakPolarHBondContact O-CA 3.3Å; A474-S484 WeakPolarHBondContact CB-OG 3.48Å
485V96.6Very high94.1Very high0 Ų044.8 Ų44.80%022%0.216CC..EExtended strand (participates in β ladder)trans-106.2130.2167.8-178.50000108.8F211 A212 T215 A216 V353 T354 T355 M446 R472 L473F211-V485 HydrophobicContact CE1-CG2 4.24Å; A212-V485 HydrophobicContact CB-CG2 4.45Å; T215-V485 HydrophobicContact CG2-CB 3.77Å; T215-V485 HydrophobicContact CG2-CG1 3.86Å; T215-V485 HydrophobicContact CG2-CG2 4.17Å; A216-V485 HydrophobicContact CB-CG1 4.43Å; V353-V485 HydrophobicContact CG1-CG1 3.85Å; T354-V485 WeakPolarHBondContact O-CA 3.49Å; T355-V485 HydrophobicContact CG2-CG2 4.34Å; M446-V485 WeakPolarHBondContact CE-O 3.44Å; R472-V485 WeakPolarHBondContact CA-O 3.45Å; L473-V485 PolarHBondContact N-O 3.32Å; L473-V485 PolarHBondContact O-N 2.99Å
486S94.8Very high93.9Very high0 Ų047.5 Ų47.50%023%0.229CC..EExtended strand (participates in β ladder)trans-123.5144177.1-460000109.5T354 R472T354-S486 PolarHBondContact N-O 2.6Å; T354-S486 PolarHBondContact O-N 3.15Å; T354-S486 PolarHBondContact OG1-O 3.39Å; R472-S486 WeakPolarHBondContact CG-OG 3.25Å; R472-S486 PolarHBondContact NH1-OG 3.09Å
487V95Very high93.6Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-120.5135.1-179.5178.30000108.6A219 L351 V352 V353 A443 R444 M446 G471A219-V487 HydrophobicContact CB-CG1 4.38Å; A219-V487 HydrophobicContact CB-CG2 3.37Å; L351-V487 HydrophobicContact CD1-CG1 3.41Å; L351-V487 VanDerWaalsContact CD1-CG1 3.41Å; L351-V487 HydrophobicContact CG-CG1 4.18Å; V352-V487 CarbonylContact O-C 3.58Å; V353-V487 HydrophobicContact CG1-CG2 4.39Å; V353-V487 HydrophobicContact CG2-CG2 4.38Å; A443-V487 CarbonylContact C-O 3.56Å; A443-V487 WeakPolarHBondContact CA-O 3.09Å; R444-V487 HydrophobicContact CB-CB 4.43Å; R444-V487 HydrophobicContact CB-CG1 4.1Å; R444-V487 PolarHBondContact N-O 3.35Å; M446-V487 HydrophobicContact CE-CB 3.79Å; M446-V487 HydrophobicContact CE-CG2 3.37Å; M446-V487 HydrophobicContact SD-CG2 3.86Å; G471-V487 PolarHBondContact O-N 2.94Å
488W95.2Very high93.4Very high41 Ų4152.9 Ų52.916%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-129.8141.4-173.5-45.582.1000110.7L351 V352 T354 L438 F441 R442 A443L351-W488 WeakPolarHBondContact CA-O 3.29Å; V352-W488 HydrophobicContact CB-CB 4.15Å; V352-W488 PolarHBondContact N-O 3.34Å; V352-W488 PolarHBondContact O-N 2.99Å; T354-W488 PolarHBondContact OG1-NE1 2.94Å; L438-W488 HydrophobicContact CD1-CB 3.84Å; L438-W488 HydrophobicContact CD1-CD2 3.75Å; L438-W488 HydrophobicContact CD1-CE3 4.37Å; L438-W488 HydrophobicContact CD1-CG 3.47Å; L438-W488 VanDerWaalsContact CD1-CG 3.47Å; F441-W488 HydrophobicContact CB-CB 4.2Å; F441-W488 HydrophobicContact CD1-CB 4.15Å; R442-W488 VanDerWaalsContact O-CA 3.32Å; R442-W488 WeakPolarHBondContact O-CA 3.37Å; A443-W488 HydrophobicContact CB-CE3 4.12Å; A443-W488 HydrophobicContact CB-CZ3 4.07Å
489T94.6Very high93.3Very high24 Ų2447.8 Ų47.815%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-130.1150.4178.451.40000110.7L351 F441 R442 R444L351-T489 HydrophobicContact CD1-CG2 3.79Å; F441-T489 CarbonylContact C-O 3.57Å; F441-T489 VanDerWaalsContact CA-O 3.29Å; F441-T489 WeakPolarHBondContact CA-O 3.36Å; F441-T489 VanDerWaalsContact CD1-C 3.42Å; R442-T489 PolarHBondContact N-O 3.45Å; R442-T489 PolarHBondContact O-N 2.92Å; R444-T489 HydrophobicContact CB-CG2 4.17Å; R444-T489 HydrophobicContact CG-CG2 4.42Å
490P93.4Very high93.3Very high15 Ų1543.3 Ų43.310%0.09720%0.196CC..EExtended strand (participates in β ladder)trans-55.6142.1175.5-24.833000112.5P349 K350 G440 F441 W492P349-P490 WeakPolarHBondContact O-CG 3.27Å; K350-P490 VanDerWaalsContact O-CD 3.22Å; K350-P490 WeakPolarHBondContact O-CD 3.25Å; G440-P490 CarbonylContact O-C 3.57Å; G440-P490 WeakPolarHBondContact O-CA 3.15Å; F441-P490 HydrophobicContact CD1-CG 4.38Å; F441-P490 HydrophobicContact CE1-CG 3.73Å; F441-P490 HydrophobicContact CZ-CG 3.88Å; P490-W492 HydrophobicContact CB-CD2 4.44Å; P490-W492 HydrophobicContact CB-CH2 4.36Å; P490-W492 HydrophobicContact CB-CZ2 3.95Å; P490-W492 HydrophobicContact CG-CZ2 4.1Å
491V90.1Very high93.2Very high84 Ų8441.6 Ų41.651%0.50919%0.192SC..  trans-86112.9165.8-174.60000106.8G440 R442G440-V491 PolarHBondContact O-N 2.67Å; R442-V491 HydrophobicContact CB-CG2 3.82Å; R442-V491 HydrophobicContact CG-CG2 3.94Å
492W77.5Confident93Very high285 Ų28541.8 Ų41.8100%1.0819%0.187SC*.  trans-870178.5-58.2107.3000112.3P490P490-W492 HydrophobicContact CB-CD2 4.44Å; P490-W492 HydrophobicContact CB-CH2 4.36Å; P490-W492 HydrophobicContact CB-CZ2 3.95Å; P490-W492 HydrophobicContact CG-CZ2 4.1Å

Retrieved 492 of 492 residues in 200.8 ms (Link to these results)