A0A060W5R1_ONCMY Loading...

KLF transcription factor 6

AlphaFold DB , UniProt , Accession A0A060W5R1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530253, Length 283 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.7Very low36.8Very low239 Ų239120.6 Ų120.6100%1.17764%0.644SS**  0107.50-75.3-178.4176.900106.3
2D31Very low37.1Very low157 Ų157120.5 Ų120.584%0.8464%0.637SS**  trans31.192.3163-51-25.2000118.9I4D2-I4 PolarHBondContact O-N 3.33Å; D2-I4 VanDerWaalsContact O-N 3.09Å
3V30.4Very low37.6Very low139 Ų139115.2 Ų115.284%0.84261%0.609SS**  trans-64101.9154.5-177.40000106.6P5V3-P5 VanDerWaalsContact O-CD 3.26Å; V3-P5 WeakPolarHBondContact O-CD 3.43Å; V3-P5 VanDerWaalsContact O-N 3.12Å
4I35Very low38.2Very low116 Ų116114.4 Ų114.460%0.59560%0.6SS**  trans-59.5115.5167.6-61.8173.3000105.8D2 M6D2-I4 PolarHBondContact O-N 3.33Å; D2-I4 VanDerWaalsContact O-N 3.09Å; I4-M6 PolarHBondContact O-N 2.92Å
5P40.4Very low38.3Very low77 Ų77111.7 Ų111.750%0.559%0.585SS.*  trans-66.4132-17926.2-30.4000107.4V3 C7 S8V3-P5 VanDerWaalsContact O-CD 3.26Å; V3-P5 WeakPolarHBondContact O-CD 3.43Å; V3-P5 VanDerWaalsContact O-N 3.12Å; P5-C7 HydrophobicContact CB-CB 4.45Å; P5-C7 PolarHBondContact O-N 3.3Å; P5-S8 PolarHBondContact O-N 2.95Å
6M36.2Very low38.7Very low131 Ų131108.3 Ų108.365%0.64557%0.571SS**THydrogen-bonded Turntrans-40.4-23.2174.7-78.6-95-101.300114.2I4 S8 I9 F10I4-M6 PolarHBondContact O-N 2.92Å; M6-S8 PolarHBondContact O-N 3.3Å; M6-I9 PolarHBondContact O-N 3.11Å; M6-F10 WeakPolarHBondContact O-CD2 3.41Å; M6-F10 PolarHBondContact O-N 3.35Å
7C37.4Very low39.1Very low89 Ų89106.1 Ų106.160%0.60156%0.556SS**Hα-helixtrans-49-35.5167.5-69.40000114.6P5 Q11P5-C7 HydrophobicContact CB-CB 4.45Å; P5-C7 PolarHBondContact O-N 3.3Å; C7-Q11 WeakPolarHBondContact O-CB 3.46Å; C7-Q11 PolarHBondContact O-N 3.47Å
8S37.6Very low39.3Very low56 Ų56104.4 Ų104.439%0.39255%0.548SS..Hα-helixtrans-75-36.9-178.1-55.50000112.3P5 M6 Q11 E12P5-S8 PolarHBondContact O-N 2.95Å; M6-S8 PolarHBondContact O-N 3.3Å; S8-Q11 PolarHBondContact O-N 3.17Å; S8-E12 WeakPolarHBondContact O-CG 3.19Å; S8-E12 PolarHBondContact O-N 3.24Å
9I43Very low39.5Very low56 Ų56103.6 Ų103.629%0.28755%0.548SS..Hα-helixtrans-69.5-42178.8-62172.7000110.1M6 Q11 E12 L13 L39M6-I9 PolarHBondContact O-N 3.11Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.2Å; I9-E12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.03Å; I9-L39 HydrophobicContact CG2-CD2 4.28Å
10F41.1Very low39.9Very low137 Ų137101.2 Ų101.260%0.60155%0.549SS*.Hα-helixtrans-68.4-31174.5-81.1-76.4000112.9M6 Q14M6-F10 WeakPolarHBondContact O-CD2 3.41Å; M6-F10 PolarHBondContact O-N 3.35Å; F10-Q14 WeakPolarHBondContact O-CB 3.32Å; F10-Q14 PolarHBondContact O-N 2.93Å
11Q45.2Very low40.1Very low130 Ų130106.3 Ų106.361%0.60756%0.562SS**Hα-helixtrans-72.8-37.9176.6-167146.71.600111.8C7 S8 I9 Q14 I15C7-Q11 WeakPolarHBondContact O-CB 3.46Å; C7-Q11 PolarHBondContact O-N 3.47Å; S8-Q11 PolarHBondContact O-N 3.17Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.2Å; Q11-Q14 PolarHBondContact O-N 2.98Å; Q11-I15 HydrophobicContact CG-CD1 4.13Å; Q11-I15 WeakPolarHBondContact O-CB 3.18Å; Q11-I15 VanDerWaalsContact O-CD1 3.26Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.22Å; Q11-I15 PolarHBondContact O-N 3.35Å
12E40Very low40.9Very low119 Ų11999.1 Ų99.156%0.55652%0.524SS*.Hα-helixtrans-67.3-43.1172.3-70.6-62.4142.600111.8S8 I9 Q14 I15 V16S8-E12 WeakPolarHBondContact O-CG 3.19Å; S8-E12 PolarHBondContact O-N 3.24Å; I9-E12 PolarHBondContact O-N 3.47Å; E12-Q14 VanDerWaalsContact C-N 3.32Å; E12-Q14 PolarHBondContact O-N 3.31Å; E12-I15 PolarHBondContact O-N 3.33Å; E12-I15 VanDerWaalsContact O-N 3.16Å; E12-V16 WeakPolarHBondContact O-CG2 3.44Å; E12-V16 PolarHBondContact O-N 2.78Å
13L44.1Very low41.3Very low52 Ų5297.1 Ų97.127%0.27252%0.523SS..Hα-helixtrans-64.5-35.3175.6-70.9172.3000112.6I9 H17 T35 L39I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.03Å; L13-H17 PolarHBondContact O-N 3.32Å; L13-T35 HydrophobicContact CD1-CG2 4.41Å; L13-T35 HydrophobicContact CD2-CG2 3.49Å; L13-T35 VanDerWaalsContact CD2-CG2 3.49Å; L13-L39 HydrophobicContact CD1-CD1 4.14Å
14Q45.1Very low42.1Very low103 Ų10394.8 Ų94.848%0.48152%0.517SS..Hα-helixtrans-70.5-35.9172.9-169.96551.600112.1F10 Q11 E12 H17 D18F10-Q14 WeakPolarHBondContact O-CB 3.32Å; F10-Q14 PolarHBondContact O-N 2.93Å; Q11-Q14 PolarHBondContact O-N 2.98Å; E12-Q14 VanDerWaalsContact C-N 3.32Å; E12-Q14 PolarHBondContact O-N 3.31Å; Q14-H17 PolarHBondContact O-N 3.34Å; Q14-D18 PolarHBondContact NE2-OD1 3.39Å; Q14-D18 PolarHBondContact NE2-OD2 2.85Å; Q14-D18 WeakPolarHBondContact O-CB 3.42Å; Q14-D18 PolarHBondContact O-N 3.21Å
15I40.4Very low42.4Very low74 Ų7495.2 Ų95.238%0.37952%0.52SS..Hα-helixtrans-66.8-38.9175.6-72.9161.8000111.2Q11 E12 D18 T19Q11-I15 HydrophobicContact CG-CD1 4.13Å; Q11-I15 WeakPolarHBondContact O-CB 3.18Å; Q11-I15 VanDerWaalsContact O-CD1 3.26Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.22Å; Q11-I15 PolarHBondContact O-N 3.35Å; E12-I15 PolarHBondContact O-N 3.33Å; E12-I15 VanDerWaalsContact O-N 3.16Å; I15-D18 PolarHBondContact O-N 3.24Å; I15-T19 HydrophobicContact CG2-CG2 4.06Å; I15-T19 WeakPolarHBondContact O-CB 3.49Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.84Å; I15-T19 PolarHBondContact O-OG1 2.73Å
16V44.5Very low42.7Very low58 Ų5895.2 Ų95.235%0.35252%0.52SS..Hα-helixtrans-69.7-35.1178-178.50000111.4E12 Y31E12-V16 WeakPolarHBondContact O-CG2 3.44Å; E12-V16 PolarHBondContact O-N 2.78Å; V16-Y31 HydrophobicContact CG1-CE2 4.5Å; V16-Y31 WeakPolarHBondContact CG1-OH 3.38Å
17H46.1Very low43.5Very low70 Ų7092.3 Ų92.332%0.32451%0.513SS..Hα-helixtrans-66.3-36.8171.8-175.3-87.2000112.6L13 Q14L13-H17 PolarHBondContact O-N 3.32Å; Q14-H17 PolarHBondContact O-N 3.34Å
18D42.9Very low44.1Very low76 Ų7693.3 Ų93.341%0.40651%0.512SS..Hα-helixtrans-92.2-13.4-171.3-67.5-18.5000114.8Q14 I15Q14-D18 PolarHBondContact NE2-OD1 3.39Å; Q14-D18 PolarHBondContact NE2-OD2 2.85Å; Q14-D18 WeakPolarHBondContact O-CB 3.42Å; Q14-D18 PolarHBondContact O-N 3.21Å; I15-D18 PolarHBondContact O-N 3.24Å
19T42.8Very low44.6Very low90 Ų9095 Ų9555%0.55251%0.514SS*.THydrogen-bonded Turntrans-88.6-2.1179.648.40000114.5I15 Y21I15-T19 HydrophobicContact CG2-CG2 4.06Å; I15-T19 WeakPolarHBondContact O-CB 3.49Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.84Å; I15-T19 PolarHBondContact O-OG1 2.73Å; T19-Y21 VanDerWaalsContact C-N 3.27Å; T19-Y21 PolarHBondContact O-N 3.09Å
20G47.8Very low45Very low55 Ų5596.9 Ų96.957%0.56752%0.521SS*.THydrogen-bonded Turntrans60.532.7169.900000114.2F22G20-F22 PolarHBondContact O-N 2.76Å
21Y42.5Very low45.6Very low209 Ų20992.8 Ų92.882%0.8250%0.502SS*.  trans-76.151.4171.4-134.6-89.5000110.7T19T19-Y21 VanDerWaalsContact C-N 3.27Å; T19-Y21 PolarHBondContact O-N 3.09Å
22F44.6Very low46.2Very low87 Ų8794.1 Ų94.138%0.38250%0.502SS..  trans-113.483.9178-83.1-85.2000109.3G20 L28 Y31G20-F22 PolarHBondContact O-N 2.76Å; F22-L28 HydrophobicContact CZ-CD1 4.2Å; F22-Y31 HydrophobicContact CE1-CG 4.25Å; F22-Y31 AromaticContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD2 4.24Å; F22-Y31 HydrophobicContact CZ-CE1 4.41Å; F22-Y31 AromaticContact CZ-CG 3.9Å; F22-Y31 HydrophobicContact CZ-CG 3.9Å
23S39.2Very low47Very low116 Ų11692.9 Ų92.981%0.81150%0.496SS*.SBendtrans-130.912.4165.756.80000113.7
24A47.8Very low47.8Very low89 Ų8996.2 Ų96.274%0.73651%0.51SS*.SBendtrans-159.233.5-179.900000117.2
25L41.7Very low48.7Very low125 Ų12592.1 Ų92.165%0.65449%0.492SS*.SBendtrans-138.8148.9171.1-71.2174.4000112.8S27L25-S27 PolarHBondContact O-N 3.24Å
26P46Very low50Low77 Ų7790.7 Ų90.750%0.549%0.488SS..SBendtrans-86.7112.5-169.94.417.4000110.3E30P26-E30 WeakPolarHBondContact CB-OE2 3.43Å; P26-E30 WeakPolarHBondContact CD-OE2 3.41Å; P26-E30 WeakPolarHBondContact CG-OE2 3.44Å; P26-E30 VanDerWaalsContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CB 3.37Å; P26-E30 WeakPolarHBondContact O-CG 3.22Å
27S54.4Low51.1Low70 Ų7092.5 Ų92.549%0.4950%0.495SS..  trans61.8142.7174.886.90000117.4L25 E29 E30L25-S27 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact O-N 2.98Å; S27-E30 PolarHBondContact O-N 3.49Å
28L49.1Very low52.1Low110 Ų11095.4 Ų95.458%0.57651%0.509SS*.Hα-helixtrans-60.9-25.7180-169.769.3000112.8F22 W32F22-L28 HydrophobicContact CZ-CD1 4.2Å; L28-W32 PolarHBondContact O-N 3.23Å
29E49.1Very low53.1Low92 Ų9294.9 Ų94.943%0.4351%0.506SS..Hα-helixtrans-69.8-43.6-179.4-174.758.9-146.300111.8S27 Y31 W32 Q33S27-E29 PolarHBondContact O-N 2.98Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 3.05Å; E29-W32 PolarHBondContact O-N 3.27Å; E29-Q33 VanDerWaalsContact O-CG 3.27Å; E29-Q33 WeakPolarHBondContact O-CG 3.33Å; E29-Q33 PolarHBondContact O-N 2.92Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å
30E50.2Low54.1Low96 Ų9693 Ų9345%0.44949%0.491SS..Hα-helixtrans-68.1-34.4178.6-64.6177.3-170.900111.6P26 S27 Q33 Q34P26-E30 WeakPolarHBondContact CB-OE2 3.43Å; P26-E30 WeakPolarHBondContact CD-OE2 3.41Å; P26-E30 WeakPolarHBondContact CG-OE2 3.44Å; P26-E30 VanDerWaalsContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CB 3.37Å; P26-E30 WeakPolarHBondContact O-CG 3.22Å; S27-E30 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact O-N 3.22Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 3.29Å
31Y54.7Low54.9Low51 Ų5199.6 Ų99.620%0.250%0.499CS..Hα-helixtrans-64.4-42.7174.2175.7-99000112V16 F22 E29 Q34 T35V16-Y31 HydrophobicContact CG1-CE2 4.5Å; V16-Y31 WeakPolarHBondContact CG1-OH 3.38Å; F22-Y31 HydrophobicContact CE1-CG 4.25Å; F22-Y31 AromaticContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD2 4.24Å; F22-Y31 HydrophobicContact CZ-CE1 4.41Å; F22-Y31 AromaticContact CZ-CG 3.9Å; F22-Y31 HydrophobicContact CZ-CG 3.9Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 3.05Å; Y31-Q34 PolarHBondContact O-N 3.35Å; Y31-T35 WeakPolarHBondContact O-CB 3.36Å; Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 PolarHBondContact O-OG1 3.36Å
32W56.6Low55.7Low158 Ų15895.1 Ų95.160%0.59848%0.481SS*.Hα-helixtrans-64.6-43.9176.7-174.2-109.6000111.4L28 E29 Q34 T35 C36L28-W32 PolarHBondContact O-N 3.23Å; E29-W32 PolarHBondContact O-N 3.27Å; W32-Q34 VanDerWaalsContact C-N 3.35Å; W32-Q34 PolarHBondContact O-N 3.21Å; W32-T35 PolarHBondContact O-N 3.39Å; W32-C36 PolarHBondContact O-N 2.98Å; W32-C36 PolarHBondContact O-SG 3.49Å
33Q57.8Low56.3Low93 Ų9395.8 Ų95.844%0.43549%0.488SS..Hα-helixtrans-61.5-41.7175.9-70.1173.66.300112.2E29 E30 T35 C36 L37E29-Q33 VanDerWaalsContact O-CG 3.27Å; E29-Q33 WeakPolarHBondContact O-CG 3.33Å; E29-Q33 PolarHBondContact O-N 2.92Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å; E30-Q33 PolarHBondContact O-N 3.22Å; Q33-T35 PolarHBondContact O-N 3.4Å; Q33-C36 PolarHBondContact O-N 3.14Å; Q33-L37 WeakPolarHBondContact O-CG 3.46Å; Q33-L37 PolarHBondContact O-N 3.37Å
34Q60.3Low57.2Low121 Ų12196.4 Ų96.457%0.56548%0.478SS*.Hα-helixtrans-63.9-40.8176.3-162.674.122.100111.9E30 Y31 W32 L37 E38E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 3.29Å; Y31-Q34 PolarHBondContact O-N 3.35Å; W32-Q34 VanDerWaalsContact C-N 3.35Å; W32-Q34 PolarHBondContact O-N 3.21Å; Q34-L37 PolarHBondContact O-N 3.44Å; Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 3.24Å
35T64.8Low57.4Low17 Ų1796.1 Ų96.110%0.10447%0.471CS..Hα-helixtrans-66.5-40.9179.1-53.40000111.4L13 Y31 W32 Q33 E38 L39L13-T35 HydrophobicContact CD1-CG2 4.41Å; L13-T35 HydrophobicContact CD2-CG2 3.49Å; L13-T35 VanDerWaalsContact CD2-CG2 3.49Å; Y31-T35 WeakPolarHBondContact O-CB 3.36Å; Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 PolarHBondContact O-OG1 3.36Å; W32-T35 PolarHBondContact O-N 3.39Å; Q33-T35 PolarHBondContact O-N 3.4Å; T35-E38 PolarHBondContact O-N 2.71Å; T35-L39 HydrophobicContact CG2-CD1 4.27Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.33Å
36C67.9Low57.7Low44 Ų4494.5 Ų94.530%0.29746%0.46SS..Hα-helixtrans-61.6-44.5173.6-700000111.8W32 Q33 E38 L39 E40W32-C36 PolarHBondContact O-N 2.98Å; W32-C36 PolarHBondContact O-SG 3.49Å; Q33-C36 PolarHBondContact O-N 3.14Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 3.2Å; C36-L39 PolarHBondContact O-N 3.42Å; C36-E40 WeakPolarHBondContact O-CG 3.1Å; C36-E40 PolarHBondContact O-N 3.32Å
37L66.4Low57.7Low97 Ų9797 Ų9751%0.50848%0.476SS..Hα-helixtrans-62.8-37.9176.6-77.7164.9000112.7Q33 Q34 E40 R41Q33-L37 WeakPolarHBondContact O-CG 3.46Å; Q33-L37 PolarHBondContact O-N 3.37Å; Q34-L37 PolarHBondContact O-N 3.44Å; L37-E40 PolarHBondContact O-N 2.88Å; L37-R41 WeakPolarHBondContact O-CB 2.94Å; L37-R41 PolarHBondContact O-N 3.43Å
38E68.8Low57.3Low131 Ų131103.9 Ų103.961%0.61249%0.493SS*.Hα-helixtrans-73.1-35.6180-163.4142.5-159.200112Q34 T35 C36 R41 Y42Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 3.24Å; T35-E38 PolarHBondContact O-N 2.71Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 3.2Å; E38-R41 PolarHBondContact O-N 3.5Å; E38-Y42 WeakPolarHBondContact O-CB 3.44Å; E38-Y42 PolarHBondContact O-N 2.82Å
39L62.9Low57Low64 Ų64102.5 Ų102.534%0.33549%0.489SS..Hα-helixtrans-65.1-43.5169.8-79.6164000112.3I9 L13 T35 C36 R41 Y42 L43I9-L39 HydrophobicContact CG2-CD2 4.28Å; L13-L39 HydrophobicContact CD1-CD1 4.14Å; T35-L39 HydrophobicContact CG2-CD1 4.27Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.33Å; C36-L39 PolarHBondContact O-N 3.42Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.09Å; L39-Y42 PolarHBondContact O-N 3.39Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 2.74Å
40E63.6Low56.4Low52 Ų52103.4 Ų103.424%0.24351%0.505CS..Hα-helixtrans-59.3-44173.5-79.3176.4-158.300111.5C36 L37 Y42 L43 Q44 F56C36-E40 WeakPolarHBondContact O-CG 3.1Å; C36-E40 PolarHBondContact O-N 3.32Å; L37-E40 PolarHBondContact O-N 2.88Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.97Å; E40-L43 PolarHBondContact O-N 3.49Å; E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.47Å; E40-Q44 PolarHBondContact O-N 2.92Å; E40-F56 HydrophobicContact CG-CD2 4.05Å; E40-F56 HydrophobicContact CG-CE2 3.95Å; E40-F56 WeakPolarHBondContact OE1-CD2 3.43Å
41R64.2Low56.1Low192 Ų192102.1 Ų102.173%0.72551%0.511SS*.Hα-helixtrans-64.6-38.6177.9-133.7176.182.9153.34.1112.4L37 E38 L39 Q44 S45L37-R41 WeakPolarHBondContact O-CB 2.94Å; L37-R41 PolarHBondContact O-N 3.43Å; E38-R41 PolarHBondContact O-N 3.5Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.09Å; R41-Q44 PolarHBondContact O-N 3.36Å; R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.41Å; R41-S45 VanDerWaalsContact O-N 3.12Å
42Y60.8Low55.6Low116 Ų116104.9 Ų104.946%0.45553%0.533SS..Hα-helixtrans-64.4-46.4175.9-177.7-104.4000111.1E38 L39 E40 Q44 S45 E46E38-Y42 WeakPolarHBondContact O-CB 3.44Å; E38-Y42 PolarHBondContact O-N 2.82Å; L39-Y42 PolarHBondContact O-N 3.39Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.97Å; Y42-Q44 VanDerWaalsContact C-N 3.31Å; Y42-Q44 PolarHBondContact O-N 3.43Å; Y42-S45 PolarHBondContact O-N 2.65Å; Y42-S45 PolarHBondContact O-OG 3.35Å; Y42-E46 PolarHBondContact O-N 2.97Å
43L56.8Low55Low100 Ų100104.3 Ų104.352%0.52454%0.542SS..Hα-helixtrans-64.9-31.8177.2-70170.3000113.2L39 E40 S45L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 2.74Å; E40-L43 PolarHBondContact O-N 3.49Å; L43-S45 VanDerWaalsContact C-N 3.33Å
44Q57.9Low54.5Low129 Ų129105.6 Ų105.660%0.60355%0.551SS**Hα-helixtrans-76.9-16.8173.6-70.8170.315.800113.4E40 R41 Y42E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.47Å; E40-Q44 PolarHBondContact O-N 2.92Å; R41-Q44 PolarHBondContact O-N 3.36Å; Y42-Q44 VanDerWaalsContact C-N 3.31Å; Y42-Q44 PolarHBondContact O-N 3.43Å
45S52.3Low53.7Low83 Ų83109.4 Ų109.458%0.5857%0.565SS**Hα-helixtrans-90.4-15179.673.90000114.2R41 Y42 L43R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.41Å; R41-S45 VanDerWaalsContact O-N 3.12Å; Y42-S45 PolarHBondContact O-N 2.65Å; Y42-S45 PolarHBondContact O-OG 3.35Å; L43-S45 VanDerWaalsContact C-N 3.33Å
46E46.4Very low52.8Low91 Ų91113.4 Ų113.443%0.42558%0.581SS.*SBendtrans-80.7125.8173.9-77.8-78.8153.400110.1Y42 Y48Y42-E46 PolarHBondContact O-N 2.97Å; E46-Y48 PolarHBondContact O-N 3.33Å
47P46.7Very low51.6Low130 Ų130119.5 Ų119.584%0.84461%0.605SS**THydrogen-bonded Turntrans-71.88.2-172.729.5-35000114.5
48Y45.6Very low50.8Low215 Ų215121.8 Ų121.884%0.84362%0.624SS**THydrogen-bonded Turntrans-114.610.7-171.3-139.7-96.1000114.6E46E46-Y48 PolarHBondContact O-N 3.33Å
49V42.8Very low49.6Very low80 Ų80118.8 Ų118.849%0.48562%0.617SS.*  trans-118.5109.8172.9-167.20000108.7A51V49-A51 PolarHBondContact O-N 3.18Å
50S38.1Very low48.9Very low112 Ų112122.7 Ų122.778%0.78363%0.634SS**  trans-63.689167160.70000108.5T52S50-T52 PolarHBondContact O-N 3.37Å; S50-T52 VanDerWaalsContact O-N 3.15Å
51A43.1Very low47.8Very low69 Ų69128.3 Ų128.357%0.5766%0.66SS**  trans-83.773.6-171.600000112.3V49V49-A51 PolarHBondContact O-N 3.18Å
52T43.4Very low46.9Very low108 Ų108122.8 Ų122.866%0.66365%0.645SS**SBendtrans-110.1-21.9170.453.10000116.4S50S50-T52 PolarHBondContact O-N 3.37Å; S50-T52 VanDerWaalsContact O-N 3.15Å
53D45.3Very low46.3Very low146 Ų146120.5 Ų120.578%0.78164%0.64SS**SBendtrans-139.452.8-170.8-61.8-66.4000114.8
54I47.3Very low45.6Very low120 Ų120124.8 Ų124.862%0.61565%0.65SS**  trans-127.488.8160.9-44.4179.2000109.1F56I54-F56 HydrophobicContact CB-CE2 4.28Å; I54-F56 HydrophobicContact CG2-CD1 4.26Å; I54-F56 HydrophobicContact CG2-CD2 3.64Å; I54-F56 HydrophobicContact CG2-CE1 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.16Å; I54-F56 HydrophobicContact CG2-CG 4.21Å; I54-F56 HydrophobicContact CG2-CZ 3.3Å
55K43.8Very low44.9Very low202 Ų202121.6 Ų121.688%0.87864%0.642SS**  trans-97.4116.2160.6-79.4-178.9177.7177.10107.7E57K55-E57 PolarHBondContact O-N 3.39Å
56F44.3Very low44.7Very low100 Ų100123.6 Ų123.644%0.43964%0.64SS.*  trans-86.1105.7173.9-68-78.8000108.7E40 I54 L63E40-F56 HydrophobicContact CG-CD2 4.05Å; E40-F56 HydrophobicContact CG-CE2 3.95Å; E40-F56 WeakPolarHBondContact OE1-CD2 3.43Å; I54-F56 HydrophobicContact CB-CE2 4.28Å; I54-F56 HydrophobicContact CG2-CD1 4.26Å; I54-F56 HydrophobicContact CG2-CD2 3.64Å; I54-F56 HydrophobicContact CG2-CE1 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.16Å; I54-F56 HydrophobicContact CG2-CG 4.21Å; I54-F56 HydrophobicContact CG2-CZ 3.3Å; F56-L63 HydrophobicContact CD1-CD2 3.43Å; F56-L63 VanDerWaalsContact CD1-CD2 3.43Å; F56-L63 HydrophobicContact CE1-CD2 3.92Å
57E43.8Very low44.6Very low172 Ų172124.7 Ų124.780%0.80465%0.648SS**  trans-86.8134166.4-81.5-178.8173.500109.7K55 S59K55-E57 PolarHBondContact O-N 3.39Å; E57-S59 VanDerWaalsContact C-N 3.34Å; E57-S59 PolarHBondContact O-N 2.87Å
58T49.5Very low44.6Very low145 Ų145124 Ų12489%0.8964%0.636SS**SBendtrans-67.479.2-172.5480000112.1
59S43.4Very low44.4Very low69 Ų69119.2 Ų119.248%0.48362%0.624SS.*  trans-140.4113.9161.1-178.70000109.1E57 E61 D62E57-S59 VanDerWaalsContact C-N 3.34Å; E57-S59 PolarHBondContact O-N 2.87Å; S59-E61 PolarHBondContact O-N 3.37Å; S59-D62 PolarHBondContact O-N 3.49Å
60Q47.6Very low44.3Very low145 Ų145119 Ų11968%0.67863%0.631SS**THydrogen-bonded Turntrans-61.1-17.7-168.4-161173.211.700114
61E41.6Very low44.3Very low171 Ų171118.5 Ų118.580%0.79963%0.626SS**THydrogen-bonded Turntrans-89.4-16-176.3-60.4-163.7156.900114.2S59S59-E61 PolarHBondContact O-N 3.37Å
62D44.4Very low44.1Very low76 Ų76117.5 Ų117.541%0.40662%0.623SS.*Hα-helixtrans-95.5-16.3-175.3-15733.9000113S59 K66S59-D62 PolarHBondContact O-N 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.47Å; D62-K66 WeakPolarHBondContact O-CG 3.5Å; D62-K66 PolarHBondContact O-N 3.13Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD2-CE 3.49Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 3.48Å
63L47.8Very low43.7Very low68 Ų68119.1 Ų119.136%0.35663%0.627SS.*Hα-helixtrans-73.9-44.1-177.3-65.3177.2000113.1F56 S65 K66 L67F56-L63 HydrophobicContact CD1-CD2 3.43Å; F56-L63 VanDerWaalsContact CD1-CD2 3.43Å; F56-L63 HydrophobicContact CE1-CD2 3.92Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 2.91Å; L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.49Å
64W42.8Very low43.4Very low190 Ų190121.6 Ų121.672%0.7263%0.631SS**Hα-helixtrans-65.6-37.5178.4-79.696.4000111.7L67 I68W64-L67 PolarHBondContact O-N 3.22Å; W64-I68 WeakPolarHBondContact O-CB 3.18Å; W64-I68 WeakPolarHBondContact O-CD1 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.24Å; W64-I68 PolarHBondContact O-N 3.03Å; W64-I68 VanDerWaalsContact O-N 3.11Å
65S43.8Very low42.9Very low62 Ų62120 Ų12043%0.43464%0.635SS.*Hα-helixtrans-66.9-43.3177.8-570000111.9L63 I68 L69L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 2.98Å; S65-I68 PolarHBondContact O-N 3.13Å; S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.07Å
66K46.5Very low42.7Very low125 Ų125119.4 Ų119.454%0.54364%0.636SS.*Hα-helixtrans-69.6-34177.1-74.9171.6173.2167.40113.1D62 L63 A70D62-K66 WeakPolarHBondContact O-CB 3.47Å; D62-K66 WeakPolarHBondContact O-CG 3.5Å; D62-K66 PolarHBondContact O-N 3.13Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD2-CE 3.49Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 3.48Å; L63-K66 PolarHBondContact O-N 2.91Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.83Å; K66-A70 VanDerWaalsContact O-N 3.09Å
67L45.5Very low42.1Very low114 Ų114120.6 Ų120.660%0.59766%0.657SS**Hα-helixtrans-68.4-36.6175.1-131.893.2000112.5L63 W64 C71L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.49Å; W64-L67 PolarHBondContact O-N 3.22Å; L67-C71 PolarHBondContact O-N 3.21Å; L67-C71 PolarHBondContact O-SG 2.82Å
68I46.9Very low41.5Very low116 Ų116119.8 Ų119.860%0.59566%0.658SS**Hα-helixtrans-71.3-42.7177.9-69.6168.8000110.8W64 S65 C71 G72W64-I68 WeakPolarHBondContact O-CB 3.18Å; W64-I68 WeakPolarHBondContact O-CD1 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.24Å; W64-I68 PolarHBondContact O-N 3.03Å; W64-I68 VanDerWaalsContact O-N 3.11Å; S65-I68 PolarHBondContact O-N 3.13Å; I68-C71 PolarHBondContact O-N 3.24Å; I68-G72 PolarHBondContact O-N 3.48Å
69L41Very low41.3Very low114 Ų114117.8 Ų117.860%0.59765%0.647SS**Hα-helixtrans-65.4-41177.2-83.3157.2000112.7S65 C71 G72 D73S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.07Å; L69-C71 PolarHBondContact O-N 3.28Å; L69-C71 VanDerWaalsContact O-N 3.17Å; L69-G72 PolarHBondContact O-N 3.14Å; L69-D73 PolarHBondContact O-N 2.86Å
70A40.7Very low40.5Very low75 Ų75123.6 Ų123.662%0.6266%0.664SS**Hα-helixtrans-63.9-20.517600000113.9K66K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.83Å; K66-A70 VanDerWaalsContact O-N 3.09Å
71C38Very low39.5Very low102 Ų102125 Ų12569%0.68967%0.674SS**Hα-helixtrans-87.1-17.6172-69.50000113.4L67 I68 L69L67-C71 PolarHBondContact O-N 3.21Å; L67-C71 PolarHBondContact O-SG 2.82Å; I68-C71 PolarHBondContact O-N 3.24Å; L69-C71 PolarHBondContact O-N 3.28Å; L69-C71 VanDerWaalsContact O-N 3.17Å
72G38.8Very low38.8Very low48 Ų48124.5 Ų124.550%0.49567%0.672SS.*Hα-helixtrans-81.7-33-177.900000114.5I68 L69 K74I68-G72 PolarHBondContact O-N 3.48Å; L69-G72 PolarHBondContact O-N 3.14Å; G72-K74 VanDerWaalsContact C-N 3.32Å; G72-K74 PolarHBondContact O-N 3.24Å
73D35.8Very low37.9Very low141 Ų141126.1 Ų126.175%0.75468%0.684SS**THydrogen-bonded Turntrans-889.4-172.8-65.5-33.1000114.6L69L69-D73 PolarHBondContact O-N 2.86Å
74K38.3Very low37Very low199 Ų199130.8 Ų130.887%0.86570%0.704SS**THydrogen-bonded Turntrans-97.718.3176.3-117.5-178.7-1741760114.1G72G72-K74 VanDerWaalsContact C-N 3.32Å; G72-K74 PolarHBondContact O-N 3.24Å
75A36.8Very low36.3Very low85 Ų85130.1 Ų130.170%0.70271%0.713SS**SBendtrans-120.935.2-178.300000113.4
76E39.7Very low35.4Very low190 Ų190135.6 Ų135.689%0.88873%0.729SS**  trans-155.490.2165.4-117.7168.7-166.400111.7
77S32.3Very low34.8Very low125 Ų125138.7 Ų138.787%0.87475%0.745SS**  trans-165.688.4153.332.70000110
78D30.5Very low34Very low155 Ų155141.8 Ų141.883%0.82976%0.757SS**  trans-27.5176.5164.1-86.1-30000120.7
79P44.8Very low33Very low103 Ų103143 Ų14367%0.66976%0.764SS**  cis-141.7178.8-2233.4-12.2000116.2
80K26Very low32.6Very low192 Ų192145.4 Ų145.484%0.83578%0.777SS**  trans70.6103.1154.1-81.3171.8179.11710119.8
81I27.8Very low32Very low174 Ų174149.7 Ų149.789%0.89279%0.785SS**  -141.7115.7115.7-57.1-173.6000108.3
82H26.1Very low31.4Very low161 Ų161153.9 Ų153.975%0.74579%0.794SS**  trans-90134.9174.7-165.7-64.5000109.3
83T26.2Very low30.7Very low109 Ų109155.7 Ų155.767%0.66980%0.804SS**  trans135.6121.4137.554.10000114.7
84H28.2Very low30.5Very low167 Ų167156.2 Ų156.277%0.77381%0.807SS**  trans71.189.7150.2-79.9-70.5000119.7
85I28.1Very low29.9Very low175 Ų175151.8 Ų151.890%0.89780%0.802SS**  trans-133.2129.5131-58.7-176.9000108.1
86K25.2Very low29.4Very low178 Ų178156.2 Ų156.277%0.77481%0.805SS**  trans-59.2140.6-173.9-69.3170172.1178.10112.3E88K86-E88 PolarHBondContact O-N 3.34Å
87E34.9Very low28.6Very low189 Ų189154 Ų15488%0.88380%0.8SS**  trans-48.5123.5155.2-61.5163.7142.400109.5
88E28Very low28.4Very low180 Ų180152.5 Ų152.584%0.84179%0.789SS**  trans-148.6110.7146.6-68.7-166.216400109.4K86K86-E88 PolarHBondContact O-N 3.34Å
89D26.9Very low28.1Very low141 Ų141153.1 Ų153.175%0.75479%0.792SS**  trans68.580.7146.8-57.8-20.2000121.2
90N31.6Very low27.2Very low164 Ų164150.7 Ų150.788%0.87778%0.781SS**  trans-76.698.4139.1-172.522.3000109.6
91Q27.8Very low27.3Very low166 Ų166146.2 Ų146.278%0.77677%0.773SS**  trans-152.398.5161-108.7159.617.700110
92E25.2Very low27.3Very low189 Ų189143 Ų14388%0.88377%0.766SS**  trans-152.882.6135.2-128.1173.4-179.500109.2
93A25.5Very low27.2Very low86 Ų86144.7 Ų144.771%0.71178%0.775SS**  trans-63.8138.8150.900000108.8
94N30.9Very low27.2Very low153 Ų153144.4 Ų144.482%0.81878%0.783SS**  trans31.993.8147.2-76.4-19000117.6
95S25.9Very low27Very low106 Ų106142.2 Ų142.274%0.74179%0.787SS**  trans-152.5111.5135.6-170.10000109.4
96F25Very low26.8Very low178 Ų178141.3 Ų141.378%0.78178%0.784SS**  trans-145.868.3157.1-144.9-94.2000109.3
97N24.8Very low26.7Very low144 Ų144137.4 Ų137.477%0.7778%0.779SS**  trans-84.7128.4144.5-84.7-30.7000107.7
98S27.8Very low26.4Very low93 Ų93133.3 Ų133.365%0.6577%0.771SS**  trans17.9115.2150.551.60000117.3
99D23.5Very low26.5Very low168 Ų168133.1 Ų133.190%0.89877%0.77SS**  trans-139.8130.1139.1-97.3-35.3000113.6
100A26.5Very low26.5Very low51 Ų51134 Ų13442%0.42177%0.77SS.*  trans-106.8131.7171.800000108
101S27.1Very low26.3Very low98 Ų98133.3 Ų133.369%0.68577%0.766SS**  trans53.1101.3146.8-61.10000118.3
102S28.2Very low26.2Very low106 Ų106130.5 Ų130.574%0.74176%0.764SS**  27.5111.9121.859.30000119
103E23.8Very low27.1Very low198 Ų198126.9 Ų126.993%0.92576%0.757SS**  31.8117128.6-56.1-170.5145.900119.9
104A25.6Very low27.8Very low103 Ų103127.6 Ų127.685%0.85175%0.754SS**  trans-156.2133.3135.600000109.5
105S25.7Very low27.6Very low120 Ų120128.8 Ų128.884%0.83976%0.76SS**  trans-60.4150.4177.7-25.60000113.6
106D22.3Very low27.5Very low156 Ų156130.3 Ų130.383%0.83476%0.76SS**  -176.4169.1116.7-150.9-2.9000111.6
107S24Very low27.5Very low97 Ų97130.9 Ų130.968%0.67876%0.762SS**  trans-104.6172.8-149-33.20000113.9
108S28.9Very low27.4Very low103 Ų103129.1 Ų129.172%0.7276%0.756SS**  trans111.4108.1152.6-56.30000118.6
109E28.7Very low27.5Very low176 Ų176129.9 Ų129.982%0.82276%0.762SS**  33.9134.5122.1-68.6176.7123.700118.5
110E27.3Very low27.8Very low159 Ų159129.5 Ų129.574%0.74376%0.76SS**  cis-164.1158.341.7-91.9-141.713300113.5
111L26.9Very low28.1Very low150 Ų150133.1 Ų133.179%0.78578%0.779SS**  trans29.9121.8148-73.3113.8000124.5
112S26.2Very low27.9Very low106 Ų106135.7 Ų135.774%0.74178%0.784SS**  trans-74.6-175.9156.8-78.30000113.7
113P43.7Very low27.9Very low114 Ų114136.3 Ų136.374%0.7479%0.789SS**  cis-140.7-135.6-40.441.2-20.5000109.1
114P41.6Very low27.9Very low100 Ų100133.3 Ų133.365%0.64978%0.779SS**  cis-130.7177.4-32.135.7-18.9000113
115L26.5Very low28Very low178 Ų178135.4 Ų135.493%0.93277%0.774SS**  trans-151.2130.3139.7-78.5-171.7000112
116D23.3Very low28Very low139 Ų139138.2 Ų138.274%0.74378%0.777SS**  trans-61.4151.7172.5-74.5-56.3000113.9
117F24.2Very low28.1Very low190 Ų190133.9 Ų133.983%0.83377%0.769SS**  -179150.9102.7-116.2-94.7000112.7
118T23.7Very low28.2Very low106 Ų106138.6 Ų138.665%0.6578%0.78SS**  trans-60.5158.4-175.658.90000115.1
119S28.7Very low27.9Very low110 Ų110137.2 Ų137.277%0.76978%0.782SS**  166.8119117.3-66.60000112.3
120N29.8Very low27.9Very low160 Ų160138.8 Ų138.886%0.85679%0.79SS**  trans-80.5155.7147-86.7-22.3000107.7
121P33.8Very low27.8Very low126 Ų126138 Ų13882%0.81879%0.791SS**  -151162.986.435.5-14.7000117.4
122L23.7Very low27.7Very low152 Ų152138 Ų13880%0.79679%0.791SS**  trans-55.9155.5160.5-87.1115000114.1
123S27.6Very low27.6Very low120 Ų120138.2 Ų138.284%0.83979%0.792SS**  trans-165.5126.7130.456.30000112.9
124D24.1Very low26.9Very low134 Ų134138.4 Ų138.472%0.71780%0.796SS**  trans-66.2166.9161.4-67.2-55.7000112.9
125I27.3Very low26.1Very low147 Ų147141.9 Ų141.975%0.75481%0.806SS**  173.8116.8123.7-83.2155.8000112.4
126M25.1Very low26.2Very low180 Ų180140.4 Ų140.489%0.88780%0.804SS**  trans27.7140.7139-47.5-173.5-58.300124.4
127G24.5Very low26.2Very low65 Ų65141.2 Ų141.267%0.6781%0.807SS**  135.1100.6117.300000120.5
128E25.7Very low26.3Very low195 Ų195137.7 Ų137.791%0.91181%0.805SS**  trans61.2124.1131.1-31.3-150.2173.500120.8
129G24.3Very low26.4Very low75 Ų75138.7 Ų138.777%0.77381%0.812SS**  80.5129104.900000111.1
130E27.8Very low26.4Very low208 Ų208139 Ų13997%0.97281%0.811SS**  -171.6-160.452.1-48-174.2178.700109
131D25.3Very low26.3Very low143 Ų143137.3 Ų137.377%0.76581%0.809SS**  trans-110.8165.6-133.4-136.3-16.8000117.5
132L25.4Very low25.9Very low151 Ų151136.7 Ų136.779%0.79181%0.807SS**  trans66.9116.5151-62.4176.8000125.2
133S24Very low25.9Very low109 Ų109134.7 Ų134.776%0.76281%0.806SS**  87.2115.4126.3-152.40000121.1
134S28.5Very low26Very low119 Ų119134.9 Ų134.983%0.83281%0.805SS**  -166.8135.6126.139.90000112.9
135M24.6Very low26.1Very low172 Ų172136.5 Ų136.585%0.84781%0.808SS**  trans-70.1141.7177.1-68.2145.5158.600111.9
136V28.3Very low26.1Very low148 Ų148135.6 Ų135.690%0.89781%0.809SS**  trans-137.8121.5146.7-82.50000109.9
137I23.7Very low26.1Very low156 Ų156133.3 Ų133.380%0.880%0.8SS**  trans-76.6131.6173.1-65.7165.3000108
138S26.3Very low26.3Very low115 Ų115139.7 Ų139.780%0.80481%0.81SS**  trans-165.6126136.8-82.30000111.3
139T26.5Very low26.2Very low128 Ų128139.7 Ų139.779%0.78581%0.809SS**PPolyproline II helixtrans-57.7146.7176.128.60000113.8
140P27.7Very low26.3Very low117 Ų117140.5 Ų140.576%0.7681%0.809SS**PPolyproline II helixtrans-81.6147.5171.932.1-32.3000112
141P28.5Very low26.2Very low124 Ų124136 Ų13681%0.80580%0.798SS**PPolyproline II helixtrans-84.7141.7171.332.7-29.9000112.3
142S24.4Very low26.2Very low113 Ų113133.8 Ų133.879%0.7979%0.794SS**  trans-29.4144.5166.644.90000118.8
143S25.3Very low26.5Very low110 Ų110132.4 Ų132.477%0.76979%0.786SS**  trans-40.5162.1162.9-52.40000115.7
144P29.2Very low26.8Very low124 Ų124131.9 Ų131.981%0.80578%0.782SS**  -122.8131.312033.4-26.3000112V146P144-V146 PolarHBondContact O-N 2.94Å
145E25.6Very low26.8Very low168 Ų168130.7 Ų130.779%0.78577%0.774SS**  trans-59.7124.5163.9-74.6169110.300110.4
146V26.5Very low27Very low128 Ų128129.4 Ų129.478%0.77677%0.765SS**  trans-136.1108.9147.7173.30000108.1P144P144-V146 PolarHBondContact O-N 2.94Å
147N25.9Very low27.2Very low132 Ų132127.2 Ų127.271%0.70675%0.752SS**  trans-51.7132.9168.2-54.1-51.1000111
148K28.4Very low27.6Very low199 Ų199128.6 Ų128.687%0.86575%0.747SS**  trans-168.6103.1147.9-100.4157.3-155.7-173.40109.9
149E24.7Very low27.7Very low194 Ų194127.9 Ų127.991%0.90774%0.743SS**  trans-13.8123.6163.8-61.5169.8145.100116.8
150A26Very low27.8Very low92 Ų92124.8 Ų124.876%0.7674%0.736SS**  trans-78.8134.416000000109.3S152A150-S152 PolarHBondContact O-N 3.25Å
151P26Very low28Very low114 Ų114124.3 Ų124.374%0.7473%0.726SS**  trans-74.2115.7174.728.1-29.3000109.3I153P151-I153 WeakPolarHBondContact O-CG1 3.46Å; P151-I153 PolarHBondContact O-N 3.36Å; P151-I153 VanDerWaalsContact O-N 3.11Å
152S24.7Very low28Very low97 Ų97124.3 Ų124.368%0.67872%0.716SS**  trans-57.2106.9163.9178.60000109.3A150 S154A150-S152 PolarHBondContact O-N 3.25Å; S152-S154 PolarHBondContact O-N 2.85Å; S152-S154 PolarHBondContact OG-OG 3.4Å
153I31.6Very low28.3Very low122 Ų122124.8 Ų124.863%0.62671%0.714SS**  trans-92.152.7173.9-39.9178000108.4P151 Q156P151-I153 WeakPolarHBondContact O-CG1 3.46Å; P151-I153 PolarHBondContact O-N 3.36Å; P151-I153 VanDerWaalsContact O-N 3.11Å; I153-Q156 HydrophobicContact CG2-CB 4.41Å
154S29.6Very low28.6Very low97 Ų97124.8 Ų124.868%0.67871%0.709SS**SBendtrans-96.1-4.7177.367.20000113.6S152S152-S154 PolarHBondContact O-N 2.85Å; S152-S154 PolarHBondContact OG-OG 3.4Å
155S30.1Very low28.3Very low95 Ų95126.7 Ų126.766%0.66471%0.709SS**SBendtrans-122.9-7.6-169-36.10000115.2
156Q28.7Very low28.4Very low144 Ų144126.5 Ų126.567%0.67371%0.708SS**SBendtrans-92.5-9.3-171.5-76.4177.3-13.600115.2I153I153-Q156 HydrophobicContact CG2-CB 4.41Å
157V32.5Very low28.4Very low102 Ų102125.3 Ų125.362%0.61871%0.705SS**THydrogen-bonded Turntrans-76.9-28.8-174.4-179.10000112.1I161V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 WeakPolarHBondContact O-CD1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å
158W30.8Very low28.8Very low185 Ų185125.3 Ų125.370%0.70171%0.712SS**THydrogen-bonded Turntrans-84.3-28.1-177.6-142.4-6.3000114.1G160W158-G160 VanDerWaalsContact C-N 3.29Å; W158-G160 PolarHBondContact O-N 3.36Å
159S29Very low28.8Very low101 Ų101119.3 Ų119.371%0.70671%0.707SS**THydrogen-bonded Turntrans-69.2-23.6175.9-108.50000113.7
160G28.3Very low29Very low63 Ų63119.9 Ų119.965%0.64971%0.707SS**THydrogen-bonded Turntrans-92.3-8.4-175.400000115.9W158W158-G160 VanDerWaalsContact C-N 3.29Å; W158-G160 PolarHBondContact O-N 3.36Å
161I33Very low29.3Very low106 Ų106122.7 Ų122.754%0.54471%0.707SS.*THydrogen-bonded Turntrans-108.7-14.2-171.7-59.8175.4000112V157 T163V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 WeakPolarHBondContact O-CD1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å; I161-T163 PolarHBondContact O-N 3.26Å
162Q28.3Very low29.4Very low125 Ų125129 Ų12958%0.58472%0.716SS**G310 helixtrans-72.7-13.2-175-81.2-174.5-47.200116.1V164Q162-V164 PolarHBondContact O-N 2.87Å
163T29.8Very low29.7Very low123 Ų123130.2 Ų130.276%0.75572%0.72SS**G310 helixtrans-9214.3-172.7-24.70000116.6I161I161-T163 PolarHBondContact O-N 3.26Å
164V31.4Very low30Very low110 Ų110128.6 Ų128.667%0.66773%0.733SS**G310 helixtrans-140.743.1178-152.30000113.5Q162 H166Q162-V164 PolarHBondContact O-N 2.87Å; V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 WeakPolarHBondContact CG1-ND1 3.41Å; V164-H166 PolarHBondContact O-N 3.34Å
165M24.3Very low30Very low164 Ų164127.4 Ų127.481%0.80874%0.737SS**  trans-81.678.2156.3-69.5-105.7-104.700108.1
166H26.2Very low30.5Very low163 Ų163132 Ų13276%0.75575%0.752SS**  trans-71.1131.7167.5-77.480.2000109.3V164V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 WeakPolarHBondContact CG1-ND1 3.41Å; V164-H166 PolarHBondContact O-N 3.34Å
167S27.8Very low30.7Very low104 Ų104128.2 Ų128.273%0.72775%0.751SS**  trans-45.4152.5177.7-45.60000114.2G169S167-G169 PolarHBondContact O-N 2.83Å
168P33.3Very low31Very low131 Ų131127.3 Ų127.385%0.85176%0.762SS**PPolyproline II helixtrans-56.8132175.321.6-30.9000111.2K170P168-K170 PolarHBondContact O-N 3.14Å
169G28.7Very low31.2Very low74 Ų74129.3 Ų129.376%0.76377%0.77SS**PPolyproline II helixtrans-54.2119.4-175.700000112.5S167 I171S167-G169 PolarHBondContact O-N 2.83Å; G169-I171 PolarHBondContact O-N 3.13Å
170K30.1Very low31.6Very low205 Ų205131.6 Ų131.689%0.89178%0.779SS**PPolyproline II helixtrans-63.9120.3169.5-138.2164.4-172.8168.90108.8P168 R172P168-K170 PolarHBondContact O-N 3.14Å; K170-R172 PolarHBondContact O-N 3.11Å
171I31.1Very low32Very low151 Ų151134.5 Ų134.577%0.77478%0.784SS**PPolyproline II helixtrans-57.1118.8169.7-56.8169.2000107.2G169 T173G169-I171 PolarHBondContact O-N 3.13Å; I171-T173 PolarHBondContact O-N 3.2Å; I171-T173 VanDerWaalsContact O-N 3.13Å
172R27.5Very low31.9Very low246 Ų246138.4 Ų138.493%0.92880%0.801SS**  trans-77.692.8173.7-84.6175.370.9164.6-0.2108.5K170K170-R172 PolarHBondContact O-N 3.11Å
173T31.1Very low32.5Very low124 Ų124143.5 Ų143.576%0.76181%0.814SS**  trans-83.4137.6152.948.90000108.4I171I171-T173 PolarHBondContact O-N 3.2Å; I171-T173 VanDerWaalsContact O-N 3.13Å
174G38.8Very low32.6Very low87 Ų87141.5 Ų141.590%0.89782%0.818SS**  trans-60.6138.4-173.200000112.9
175G28.6Very low32.8Very low73 Ų73140.7 Ų140.775%0.75382%0.817SS**  trans-161.6112.9173.800000109.5G177G175-G177 PolarHBondContact O-N 3.21Å
176I41.9Very low33.4Very low191 Ų191140.5 Ų140.598%0.97982%0.819SS**  trans-71.5118.4174.1-15.8174000106.7
177G31.5Very low33.7Very low64 Ų64137.4 Ų137.466%0.6682%0.821SS**  trans176112.5179.500000111.7G175G175-G177 PolarHBondContact O-N 3.21Å
178G39.6Very low34.3Very low83 Ų83140.1 Ų140.186%0.85683%0.828SS**  trans-58.7143.8-177.400000113
179R34.9Very low34.7Very low228 Ų228137 Ų13786%0.8682%0.82SS**  trans-113.5108.2168.6-89.3-175-89.1-178.7-6.9109V181R179-V181 HydrophobicContact CB-CG2 4.37Å
180T36.5Very low35.1Very low148 Ų148142.6 Ų142.691%0.90883%0.826SS**  trans-66122151.541.40000107.6
181V37.9Very low35.9Very low124 Ų124137.3 Ų137.375%0.75282%0.82SS**  trans-111.9124.3172.9-178.20000107R179R179-V181 HydrophobicContact CB-CG2 4.37Å
182E31.6Very low36.9Very low189 Ų189133.3 Ų133.388%0.88381%0.806SS**  trans-61.3136.6175.1-66.7-172.3134.800110.9G184E182-G184 PolarHBondContact O-N 3.39Å
183R39.9Very low38.2Very low232 Ų232127.9 Ų127.988%0.87580%0.802SS**  trans-8097.5-172.9-177.4-178.6-69172.9-1.8109.9
184G31.4Very low39.7Very low81 Ų81128.1 Ų128.184%0.83580%0.799SS**  trans-78.9118.9160.200000110.4E182E182-G184 PolarHBondContact O-N 3.39Å
185S36.6Very low40.8Very low93 Ų93127.2 Ų127.265%0.6579%0.789SS**  trans-85.4134.4-172.7-73.70000114.3
186L36.9Very low42.5Very low159 Ų159133.4 Ų133.483%0.83279%0.79SS**  trans68.8110.8142.6-61.7167.1000120.8
187A32.4Very low43.9Very low98 Ų98134 Ų13481%0.8178%0.78SS**  -147.7104.2122.300000110.7
188N40.8Very low46.2Very low161 Ų161140 Ų14086%0.86178%0.783SS**  trans4397150.3-55.6-18000119.5
189G40.9Very low48.4Very low66 Ų66140.3 Ų140.368%0.6877%0.768SS**  trans-166.398.6151.600000107.6A191G189-A191 PolarHBondContact O-N 3.47Å
190E37.5Very low50.9Low192 Ų192131.9 Ų131.990%0.89774%0.738SS**PPolyproline II helixtrans-51.7116.9174.8-63.2-179.2140.900108.6S192E190-S192 PolarHBondContact O-N 3.23Å
191A45.8Very low53.6Low94 Ų94131.1 Ų131.178%0.77772%0.718SS**PPolyproline II helixtrans-64.9125.3178.900000108.2G189G189-A191 PolarHBondContact O-N 3.47Å
192S52.4Low56.1Low67 Ų67125.4 Ų125.447%0.46968%0.684SS.*PPolyproline II helixtrans-56.6131.8169.5-172.60000108.6E190 D194 G195E190-S192 PolarHBondContact O-N 3.23Å; S192-D194 PolarHBondContact O-N 2.88Å; S192-G195 PolarHBondContact O-N 3.41Å
193P55.1Low58.8Low131 Ų131124.1 Ų124.185%0.85168%0.678SS**THydrogen-bonded Turntrans-58.2-19.8-174.418.2-29.2000113.9
194D62.3Low61.2Low130 Ų130118.3 Ų118.370%0.69566%0.659SS**THydrogen-bonded Turntrans-892.5179.3-77-18.4000115.2S192 R196S192-D194 PolarHBondContact O-N 2.88Å; D194-R196 PolarHBondContact O-N 3.33Å
195G61.9Low63.9Low67 Ų67121.7 Ų121.769%0.69166%0.658SS**  trans65.42.5-179.700000115.3S192 R197S192-G195 PolarHBondContact O-N 3.41Å; G195-R197 PolarHBondContact O-N 3.13Å
196R65.5Low66.2Low203 Ų203121 Ų12177%0.76667%0.665SS**PPolyproline II helixtrans-68.8122.5172.7-73.5-173.2-168.6-173.24.7109.7D194 R198D194-R196 PolarHBondContact O-N 3.33Å; R196-R198 PolarHBondContact O-N 3.47Å
197R70.6Confident68.7Low204 Ų204114.3 Ų114.377%0.7763%0.632SS**PPolyproline II helixtrans-56.6130.9171-68.9-175.3-177.4-175.41.2109.1G195 V199G195-R197 PolarHBondContact O-N 3.13Å; R197-V199 PolarHBondContact O-N 3.35Å
198R78.7Confident71.3Confident190 Ų190120.6 Ų120.672%0.71763%0.634SS**PPolyproline II helixtrans-57.3129.2170.4-172.7-177.9-71.8-176.2-2.1108.6R196R196-R198 PolarHBondContact O-N 3.47Å
199V86.3Confident73.7Confident89 Ų89116.1 Ų116.154%0.53961%0.608SS.*  trans-110.3149.4177.3-65.10000110.4R197 V210 Y211R197-V199 PolarHBondContact O-N 3.35Å; V199-V210 HydrophobicContact CB-CG1 3.71Å; V199-V210 HydrophobicContact CG1-CG1 4.32Å; V199-V210 HydrophobicContact CG2-CG1 4.13Å; V199-Y211 CarbonylContact C-O 3.58Å
200H88.7Confident76.1Confident51 Ų51116.1 Ų116.124%0.23659%0.594CS.*EExtended strand (participates in β ladder)trans-117.3112.9-176.2-64.6-82.6000108.9V210 Y211 K213 S214 L217H200-V210 CarbonylContact O-C 3.58Å; H200-V210 WeakPolarHBondContact O-CA 3.41Å; H200-Y211 PolarHBondContact N-O 3.37Å; H200-Y211 PolarHBondContact O-N 3.04Å; H200-K213 VanDerWaalsContact CD2-C 3.44Å; H200-S214 PolarHBondContact CD2-N 2.76Å; H200-S214 PolarHBondContact NE2-N 3.28Å; H200-L217 HydrophobicContact CB-CB 3.92Å; H200-L217 HydrophobicContact CB-CD2 3.72Å; H200-L217 HydrophobicContact CB-CG 4.4Å
201R91.5Very high78.6Confident132 Ų132109.1 Ų109.150%0.49856%0.56SS.*EExtended strand (participates in β ladder)trans-97140.9-177.2-176.7178.8-64.6-82.73.6111.2H203 V210 L217R201-H203 PolarHBondContact O-CE1 3.18Å; R201-H203 VanDerWaalsContact O-CE1 3.3Å; R201-H203 PolarHBondContact O-ND1 3.33Å; R201-V210 HydrophobicContact CB-CG2 4.39Å; R201-V210 HydrophobicContact CG-CG2 4.2Å; R201-L217 WeakPolarHBondContact O-CD2 3.41Å
202C91.1Very high80.6Confident4 Ų4108.6 Ų108.63%0.02755%0.547CS..  trans-76.6131.1167.1-167.10000110C207 K209 L217 H220 H224C202-C207 HydrophobicContact CB-CB 4.42Å; C202-K209 PolarHBondContact N-O 3.24Å; C202-L217 HydrophobicContact CB-CD1 3.8Å; C202-H220 PolarHBondContact SG-NE2 3.22Å; C202-H224 PolarHBondContact SG-NE2 3.44Å
203H88.5Confident82.2Confident163 Ų163111 Ų11176%0.75555%0.549SS*.  trans-105.511.3179.3-59.791.5000112.3R201R201-H203 PolarHBondContact O-CE1 3.18Å; R201-H203 VanDerWaalsContact O-CE1 3.3Å; R201-H203 PolarHBondContact O-ND1 3.33Å
204F89.4Confident83.7Confident109 Ų109108.3 Ų108.348%0.47853%0.533SS..SBendtrans-67.4140.2175.6-170.6-95.7000110.1G206 C207 H224F204-G206 PolarHBondContact O-N 3.43Å; F204-C207 HydrophobicContact CB-CB 4.04Å; F204-C207 HydrophobicContact CD1-CB 4.44Å; F204-C207 WeakPolarHBondContact O-CB 3.47Å; F204-C207 PolarHBondContact O-N 3.32Å; F204-H224 HydrophobicContact CD1-CB 4.19Å; F204-H224 AromaticContact CD1-CE1 3.46Å; F204-H224 VanDerWaalsContact CD1-CE1 3.46Å; F204-H224 WeakPolarHBondContact CD1-CE1 3.39Å; F204-H224 AromaticContact CD1-CG 3.58Å; F204-H224 AromaticContact CD1-ND1 3.19Å; F204-H224 WeakPolarHBondContact CD1-ND1 3.41Å; F204-H224 AromaticContact CD1-NE2 3.99Å; F204-H224 HydrophobicContact CD2-CB 3.67Å; F204-H224 AromaticContact CD2-CG 3.81Å; F204-H224 HydrophobicContact CE1-CB 4.27Å; F204-H224 AromaticContact CE1-ND1 3.51Å; F204-H224 HydrophobicContact CE2-CB 3.78Å; F204-H224 HydrophobicContact CG-CB 3.88Å; F204-H224 AromaticContact CG-CD2 3.69Å; F204-H224 AromaticContact CG-CE1 3.88Å; F204-H224 AromaticContact CG-CG 3.45Å; F204-H224 VanDerWaalsContact CG-CG 3.45Å; F204-H224 AromaticContact CG-ND1 3.59Å; F204-H224 AromaticContact CG-NE2 3.96Å; F204-H224 HydrophobicContact CZ-CB 4.07Å
205N88.9Confident84.8Confident152 Ų152105.4 Ų105.481%0.81352%0.523SS*.THydrogen-bonded Turntrans-58.4129.5-176.4-168.113.5000110.7C207N205-C207 VanDerWaalsContact C-N 3.26Å; N205-C207 PolarHBondContact O-N 3.45Å
206G85.6Confident86Confident78 Ų78106.3 Ų106.380%0.80451%0.509SS*.THydrogen-bonded Turntrans76-2.4-174.900000115.9F204F204-G206 PolarHBondContact O-N 3.43Å
207C88.1Confident87.1Confident20 Ų2097.6 Ų97.614%0.13548%0.478CS..  trans-100.9118178.1-169.30000112.3C202 F204 N205 H220 H224C202-C207 HydrophobicContact CB-CB 4.42Å; F204-C207 HydrophobicContact CB-CB 4.04Å; F204-C207 HydrophobicContact CD1-CB 4.44Å; F204-C207 WeakPolarHBondContact O-CB 3.47Å; F204-C207 PolarHBondContact O-N 3.32Å; N205-C207 VanDerWaalsContact C-N 3.26Å; N205-C207 PolarHBondContact O-N 3.45Å; C207-H220 PolarHBondContact SG-NE2 3.4Å; C207-H224 WeakPolarHBondContact CB-NE2 3.47Å; C207-H224 PolarHBondContact SG-NE2 2.88Å
208R88.6Confident87.8Confident229 Ų22994 Ų9486%0.86447%0.468SS*.  trans-103.313179.6-65.4-174.3178.8-157.30.6114.4
209K90.2Very high88Confident68 Ų6885.8 Ų85.830%0.29644%0.44SS..  trans-71.7141.9-174.3-64.6-169.2-172.6173.50113C202 Y211C202-K209 PolarHBondContact N-O 3.24Å; K209-Y211 HydrophobicContact CB-CE2 3.71Å; K209-Y211 WeakPolarHBondContact CD-OH 3.32Å
210V90.9Very high88Confident66 Ų6682.1 Ų82.140%0.442%0.417SS..EExtended strand (participates in β ladder)trans-129.1139.8-179.4-176.20000109.6V199 H200 R201V199-V210 HydrophobicContact CB-CG1 3.71Å; V199-V210 HydrophobicContact CG1-CG1 4.32Å; V199-V210 HydrophobicContact CG2-CG1 4.13Å; H200-V210 CarbonylContact O-C 3.58Å; H200-V210 WeakPolarHBondContact O-CA 3.41Å; R201-V210 HydrophobicContact CB-CG2 4.39Å; R201-V210 HydrophobicContact CG-CG2 4.2Å
211Y89.6Confident87.9Confident44 Ų4483.8 Ų83.817%0.17343%0.425CS..EExtended strand (participates in β ladder)trans-127.5142.5-174.3-61.2-87.1000110.9V199 H200 K209 K213 H216 L217 H220V199-Y211 CarbonylContact C-O 3.58Å; H200-Y211 PolarHBondContact N-O 3.37Å; H200-Y211 PolarHBondContact O-N 3.04Å; K209-Y211 HydrophobicContact CB-CE2 3.71Å; K209-Y211 WeakPolarHBondContact CD-OH 3.32Å; Y211-K213 VanDerWaalsContact C-N 3.29Å; Y211-H216 HydrophobicContact CD1-CB 3.55Å; Y211-H216 HydrophobicContact CE1-CB 4.35Å; Y211-H216 HydrophobicContact CG-CB 4.1Å; Y211-L217 HydrophobicContact CD2-CB 3.86Å; Y211-L217 HydrophobicContact CD2-CD1 3.75Å; Y211-L217 HydrophobicContact CD2-CG 4.43Å; Y211-L217 HydrophobicContact CE2-CD1 4.03Å; Y211-L217 HydrophobicContact CG-CB 4.19Å; Y211-H220 HydrophobicContact CE1-CB 4.11Å; Y211-H220 HydrophobicContact CE2-CB 3.78Å; Y211-H220 AromaticContact CE2-CD2 3.32Å; Y211-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y211-H220 AromaticContact CE2-CG 3.68Å; Y211-H220 VanDerWaalsContact CZ-CB 3.42Å; Y211-H220 AromaticContact CZ-CD2 3.61Å; Y211-H220 AromaticContact CZ-CG 3.48Å; Y211-H220 VanDerWaalsContact CZ-CG 3.48Å; Y211-H220 WeakPolarHBondContact OH-CB 3.42Å; Y211-H220 PolarHBondContact OH-CD2 3.05Å; Y211-H220 VanDerWaalsContact OH-CD2 3.24Å; Y211-H220 PolarHBondContact OH-ND1 3.05Å
212T88.6Confident87.6Confident84 Ų8479.6 Ų79.652%0.51541%0.409SS..SBendtrans-81.9-10.4175.4600000113.1
213K86.9Confident87.3Confident118 Ų11883.8 Ų83.851%0.51344%0.435SS..SBendtrans-129.5136.5180-64.2-175.5-178.2-179.60109.7H200 Y211 S215 H216 L217H200-K213 VanDerWaalsContact CD2-C 3.44Å; Y211-K213 VanDerWaalsContact C-N 3.29Å; K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.9Å; K213-H216 HydrophobicContact CB-CB 4.45Å; K213-H216 PolarHBondContact O-N 3.24Å; K213-L217 PolarHBondContact O-N 3.2Å
214S86.8Confident87.1Confident73 Ų7378.6 Ų78.651%0.5141%0.411SS..Hα-helixtrans-60.1-37.9176.455.70000112.3H200 H216 L217 K218H200-S214 PolarHBondContact CD2-N 2.76Å; H200-S214 PolarHBondContact NE2-N 3.28Å; S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 3.33Å; S214-L217 PolarHBondContact O-N 3.5Å; S214-K218 PolarHBondContact O-N 3.08Å
215S84.9Confident86.8Confident69 Ų6977.6 Ų77.648%0.48341%0.414SS..Hα-helixtrans-60.4-37.1177.456.90000112.7K213 K218 A219K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.9Å; S215-K218 PolarHBondContact O-N 3.19Å; S215-A219 WeakPolarHBondContact O-CB 3.38Å; S215-A219 PolarHBondContact O-N 3.29Å
216H86.4Confident86.5Confident87 Ų8772.8 Ų72.840%0.40340%0.4SS..Hα-helixtrans-72.3-39.1177.2-64.6-177.9000111.7Y211 K213 S214 A219 H220Y211-H216 HydrophobicContact CD1-CB 3.55Å; Y211-H216 HydrophobicContact CE1-CB 4.35Å; Y211-H216 HydrophobicContact CG-CB 4.1Å; K213-H216 HydrophobicContact CB-CB 4.45Å; K213-H216 PolarHBondContact O-N 3.24Å; S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 3.33Å; H216-A219 PolarHBondContact O-N 3.16Å; H216-H220 WeakPolarHBondContact O-CB 3.29Å; H216-H220 PolarHBondContact O-N 3.01Å
217L88.4Confident86.3Confident19 Ų1974.5 Ų74.510%0.09939%0.387CS..Hα-helixtrans-60.8-46.2172.5174.463.7000110.7H200 R201 C202 Y211 K213 S214 A219 H220 Q221H200-L217 HydrophobicContact CB-CB 3.92Å; H200-L217 HydrophobicContact CB-CD2 3.72Å; H200-L217 HydrophobicContact CB-CG 4.4Å; R201-L217 WeakPolarHBondContact O-CD2 3.41Å; C202-L217 HydrophobicContact CB-CD1 3.8Å; Y211-L217 HydrophobicContact CD2-CB 3.86Å; Y211-L217 HydrophobicContact CD2-CD1 3.75Å; Y211-L217 HydrophobicContact CD2-CG 4.43Å; Y211-L217 HydrophobicContact CE2-CD1 4.03Å; Y211-L217 HydrophobicContact CG-CB 4.19Å; K213-L217 PolarHBondContact O-N 3.2Å; S214-L217 PolarHBondContact O-N 3.5Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-A219 PolarHBondContact O-N 3.16Å; L217-H220 CarbonylContact O-C 3.58Å; L217-H220 WeakPolarHBondContact O-CB 3.4Å; L217-H220 PolarHBondContact O-N 3.07Å; L217-H220 VanDerWaalsContact O-N 3.14Å; L217-Q221 HydrophobicContact CD1-CG 4.31Å; L217-Q221 HydrophobicContact CG-CG 4.5Å; L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 2.92Å
218K85.7Confident86.2Confident130 Ų13079.3 Ų79.357%0.56541%0.406SS*.Hα-helixtrans-61.3-42178.4-170.9174.3-175.21760112S214 S215 H220 Q221S214-K218 PolarHBondContact O-N 3.08Å; S215-K218 PolarHBondContact O-N 3.19Å; K218-H220 VanDerWaalsContact C-N 3.33Å; K218-Q221 PolarHBondContact O-N 3.45Å
219A83.6Confident85.9Confident17 Ų1771.4 Ų71.414%0.1438%0.384CS..Hα-helixtrans-63.7-39.9174.200000112.1S215 H216 L217 R222 R243S215-A219 WeakPolarHBondContact O-CB 3.38Å; S215-A219 PolarHBondContact O-N 3.29Å; H216-A219 PolarHBondContact O-N 3.16Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-A219 PolarHBondContact O-N 3.16Å; A219-R222 WeakPolarHBondContact O-CB 3.47Å; A219-R222 PolarHBondContact O-N 3.17Å; A219-R243 HydrophobicContact CB-CG 4.31Å
220H86.1Confident85.7Confident12 Ų1271.9 Ų71.96%0.05638%0.384CS..Hα-helixtrans-66.6-38.2175.5166.651.9000112.9C202 C207 Y211 H216 L217 K218 R222 T223 H224C202-H220 PolarHBondContact SG-NE2 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.4Å; Y211-H220 HydrophobicContact CE1-CB 4.11Å; Y211-H220 HydrophobicContact CE2-CB 3.78Å; Y211-H220 AromaticContact CE2-CD2 3.32Å; Y211-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y211-H220 AromaticContact CE2-CG 3.68Å; Y211-H220 VanDerWaalsContact CZ-CB 3.42Å; Y211-H220 AromaticContact CZ-CD2 3.61Å; Y211-H220 AromaticContact CZ-CG 3.48Å; Y211-H220 VanDerWaalsContact CZ-CG 3.48Å; Y211-H220 WeakPolarHBondContact OH-CB 3.42Å; Y211-H220 PolarHBondContact OH-CD2 3.05Å; Y211-H220 VanDerWaalsContact OH-CD2 3.24Å; Y211-H220 PolarHBondContact OH-ND1 3.05Å; H216-H220 WeakPolarHBondContact O-CB 3.29Å; H216-H220 PolarHBondContact O-N 3.01Å; L217-H220 CarbonylContact O-C 3.58Å; L217-H220 WeakPolarHBondContact O-CB 3.4Å; L217-H220 PolarHBondContact O-N 3.07Å; L217-H220 VanDerWaalsContact O-N 3.14Å; K218-H220 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.23Å; H220-R222 VanDerWaalsContact O-N 3.09Å; H220-T223 PolarHBondContact ND1-OG1 3.16Å; H220-T223 WeakPolarHBondContact O-CB 3.42Å; H220-T223 PolarHBondContact O-N 3.02Å; H220-T223 PolarHBondContact O-OG1 3.31Å; H220-H224 AromaticContact CE1-CD2 3.98Å; H220-H224 AromaticContact CE1-CE1 3.93Å; H220-H224 AromaticContact CE1-NE2 3.24Å; H220-H224 PolarHBondContact CE1-NE2 3.33Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.2Å; H220-H224 PolarHBondContact NE2-NE2 3.4Å
221Q85.9Confident85.5Confident86 Ų8675.3 Ų75.340%0.40239%0.39SS..Hα-helixtrans-57.4-28.9177.9-75.5173.6-44.100112.5L217 K218 T223 H224 T225L217-Q221 HydrophobicContact CD1-CG 4.31Å; L217-Q221 HydrophobicContact CG-CG 4.5Å; L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 2.92Å; K218-Q221 PolarHBondContact O-N 3.45Å; Q221-T223 PolarHBondContact O-N 3.32Å; Q221-H224 WeakPolarHBondContact O-CB 3.31Å; Q221-H224 PolarHBondContact O-N 2.8Å; Q221-T225 PolarHBondContact O-N 3.48Å
222R86.2Confident85.6Confident44 Ų4473.4 Ų73.417%0.16638%0.383CS..Hα-helixtrans-63.3-21.3173.3-59.6-175.2-174.7111.91114A219 H220 H224 T225 G226 E227 A242A219-R222 WeakPolarHBondContact O-CB 3.47Å; A219-R222 PolarHBondContact O-N 3.17Å; H220-R222 PolarHBondContact O-N 3.23Å; H220-R222 VanDerWaalsContact O-N 3.09Å; R222-H224 VanDerWaalsContact C-N 3.25Å; R222-H224 PolarHBondContact O-N 2.95Å; R222-T225 WeakPolarHBondContact CA-OG1 3.42Å; R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 2.85Å; R222-E227 HydrophobicContact CB-CB 4.45Å; R222-E227 HydrophobicContact CG-CB 4.36Å; R222-E227 PolarHBondContact O-N 2.93Å; R222-A242 HydrophobicContact CB-CB 4.18Å; R222-A242 WeakPolarHBondContact CD-O 3.35Å
223T84.7Confident85.5Confident91 Ų9174.5 Ų74.556%0.55839%0.394SS*.Hα-helixtrans-73.6-20.6173.571.80000112.3H220 Q221H220-T223 PolarHBondContact ND1-OG1 3.16Å; H220-T223 WeakPolarHBondContact O-CB 3.42Å; H220-T223 PolarHBondContact O-N 3.02Å; H220-T223 PolarHBondContact O-OG1 3.31Å; Q221-T223 PolarHBondContact O-N 3.32Å
224H84.6Confident85.4Confident55 Ų5574.1 Ų74.126%0.25539%0.39SS..Hα-helixtrans-87.7-37.7174.8-64.1-55.8000111.9C202 F204 C207 H220 Q221 R222C202-H224 PolarHBondContact SG-NE2 3.44Å; F204-H224 HydrophobicContact CD1-CB 4.19Å; F204-H224 AromaticContact CD1-CE1 3.46Å; F204-H224 VanDerWaalsContact CD1-CE1 3.46Å; F204-H224 WeakPolarHBondContact CD1-CE1 3.39Å; F204-H224 AromaticContact CD1-CG 3.58Å; F204-H224 AromaticContact CD1-ND1 3.19Å; F204-H224 WeakPolarHBondContact CD1-ND1 3.41Å; F204-H224 AromaticContact CD1-NE2 3.99Å; F204-H224 HydrophobicContact CD2-CB 3.67Å; F204-H224 AromaticContact CD2-CG 3.81Å; F204-H224 HydrophobicContact CE1-CB 4.27Å; F204-H224 AromaticContact CE1-ND1 3.51Å; F204-H224 HydrophobicContact CE2-CB 3.78Å; F204-H224 HydrophobicContact CG-CB 3.88Å; F204-H224 AromaticContact CG-CD2 3.69Å; F204-H224 AromaticContact CG-CE1 3.88Å; F204-H224 AromaticContact CG-CG 3.45Å; F204-H224 VanDerWaalsContact CG-CG 3.45Å; F204-H224 AromaticContact CG-ND1 3.59Å; F204-H224 AromaticContact CG-NE2 3.96Å; F204-H224 HydrophobicContact CZ-CB 4.07Å; C207-H224 WeakPolarHBondContact CB-NE2 3.47Å; C207-H224 PolarHBondContact SG-NE2 2.88Å; H220-H224 AromaticContact CE1-CD2 3.98Å; H220-H224 AromaticContact CE1-CE1 3.93Å; H220-H224 AromaticContact CE1-NE2 3.24Å; H220-H224 PolarHBondContact CE1-NE2 3.33Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.2Å; H220-H224 PolarHBondContact NE2-NE2 3.4Å; Q221-H224 WeakPolarHBondContact O-CB 3.31Å; Q221-H224 PolarHBondContact O-N 2.8Å; R222-H224 VanDerWaalsContact C-N 3.25Å; R222-H224 PolarHBondContact O-N 2.95Å
225T81.6Confident85.3Confident87 Ų8778.8 Ų78.853%0.53440%0.404SS..Hα-helixtrans-86.6-14.8-179.6600000113.5Q221 R222 E227Q221-T225 PolarHBondContact O-N 3.48Å; R222-T225 WeakPolarHBondContact CA-OG1 3.42Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-E227 WeakPolarHBondContact OG1-CG 3.26Å
226G82.4Confident85.3Confident51 Ų5179.5 Ų79.553%0.52642%0.422SS..  trans71.58.6-175.700000113.9R222 K228R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 2.85Å; G226-K228 PolarHBondContact O-N 2.98Å
227E82.9Confident85.3Confident115 Ų11576.1 Ų76.154%0.53741%0.408SS..  trans-64120.5-179-75.7178-171.100111.6R222 T225 P229R222-E227 HydrophobicContact CB-CB 4.45Å; R222-E227 HydrophobicContact CG-CB 4.36Å; R222-E227 PolarHBondContact O-N 2.93Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-E227 WeakPolarHBondContact OG1-CG 3.26Å; E227-P229 VanDerWaalsContact C-CD 3.43Å; E227-P229 WeakPolarHBondContact O-CD 3.28Å
228K85.2Confident85.3Confident120 Ų12082.7 Ų82.752%0.52244%0.438SS..  trans-117.677.2176.9-67.9172.3174.3-173.50110.6G226 Y230 R240 F241G226-K228 PolarHBondContact O-N 2.98Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.21Å; K228-R240 HydrophobicContact CB-CB 3.62Å; K228-R240 HydrophobicContact CD-CB 4.24Å; K228-R240 WeakPolarHBondContact CD-O 3.22Å; K228-R240 PolarHBondContact O-NE 2.84Å; K228-R240 PolarHBondContact O-NH2 3.22Å; K228-F241 CarbonylContact C-O 3.59Å; K228-F241 VanDerWaalsContact C-O 3.31Å; K228-F241 VanDerWaalsContact CA-O 3.27Å; K228-F241 WeakPolarHBondContact CA-O 3.2Å
229P82.9Confident85.4Confident64 Ų6483.5 Ų83.542%0.41644%0.438SS..  trans-70.3-22.9-175.625.8-32000113E227E227-P229 VanDerWaalsContact C-CD 3.43Å; E227-P229 WeakPolarHBondContact O-CD 3.28Å
230Y85.4Confident85.7Confident77 Ų7787.9 Ų87.930%0.30245%0.451SS..EExtended strand (participates in β ladder)trans-94.4104.2-174.2-56.6-78.4000111K228 R240 F241 A242K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.21Å; Y230-R240 CarbonylContact O-C 3.51Å; Y230-R240 VanDerWaalsContact O-CA 3.26Å; Y230-R240 WeakPolarHBondContact O-CA 3.15Å; Y230-F241 WeakPolarHBondContact CB-O 3.07Å; Y230-F241 WeakPolarHBondContact CD2-O 3.42Å; Y230-F241 PolarHBondContact N-O 3.19Å; Y230-F241 VanDerWaalsContact N-O 3.09Å; Y230-F241 PolarHBondContact O-N 3.26Å; Y230-A242 WeakPolarHBondContact CE2-O 3.43Å
231R87.4Confident85.6Confident138 Ų13888.5 Ų88.552%0.52145%0.453SS..EExtended strand (participates in β ladder)trans-92.8144176.9167.6178.1-88.2-156.2-3.8111R240R231-R240 HydrophobicContact CB-CG 4.25Å
232C90.3Very high85.5Confident4 Ų485.1 Ų85.13%0.02744%0.44CS..  trans-69.6131.4168-164.90000110.5W234 C237 W239 L247 H250 H254C232-W234 VanDerWaalsContact C-N 3.34Å; C232-C237 HydrophobicContact CB-CB 4.26Å; C232-W239 HydrophobicContact CB-CB 4.45Å; C232-W239 PolarHBondContact N-O 3.22Å; C232-L247 HydrophobicContact CB-CD1 4.09Å; C232-H250 VanDerWaalsContact SG-CD2 3.59Å; C232-H254 PolarHBondContact SG-NE2 2.72Å
233S86.8Confident85.3Confident107 Ų10788.1 Ų88.175%0.74845%0.451SS*.  trans-94.39.9179.1-167.90000112.8
234W85.3Confident85.3Confident110 Ų11086.6 Ų86.642%0.41745%0.445SS..SBendtrans-79.1133.8179.2-167.1-85.4000110C232 G236 C237 F251 H254 T255C232-W234 VanDerWaalsContact C-N 3.34Å; W234-G236 PolarHBondContact O-N 2.75Å; W234-C237 HydrophobicContact CB-CB 3.92Å; W234-C237 VanDerWaalsContact O-CB 3.32Å; W234-C237 WeakPolarHBondContact O-CB 3.34Å; W234-C237 PolarHBondContact O-N 3.02Å; W234-F251 HydrophobicContact CB-CE2 4.48Å; W234-F251 AromaticContact CE3-CE2 3.82Å; W234-F251 HydrophobicContact CE3-CE2 3.82Å; W234-F251 AromaticContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CZ3-CZ 4.19Å; W234-H254 AromaticContact CD1-CE1 3.7Å; W234-H254 AromaticContact CD1-CG 3.94Å; W234-H254 AromaticContact CD1-ND1 3.46Å; W234-H254 HydrophobicContact CD2-CB 3.41Å; W234-H254 VanDerWaalsContact CD2-CB 3.41Å; W234-H254 AromaticContact CD2-CG 3.51Å; W234-H254 AromaticContact CD2-ND1 3.8Å; W234-H254 AromaticContact CE2-CG 3.95Å; W234-H254 AromaticContact CE2-ND1 3.92Å; W234-H254 HydrophobicContact CE3-CB 3.38Å; W234-H254 AromaticContact CE3-CG 3.89Å; W234-H254 HydrophobicContact CG-CB 4Å; W234-H254 AromaticContact CG-CD2 3.75Å; W234-H254 AromaticContact CG-CE1 3.75Å; W234-H254 AromaticContact CG-CG 3.5Å; W234-H254 AromaticContact CG-ND1 3.5Å; W234-H254 AromaticContact CG-NE2 3.93Å; W234-H254 HydrophobicContact CH2-CB 3.92Å; W234-H254 HydrophobicContact CZ2-CB 3.96Å; W234-H254 HydrophobicContact CZ3-CB 3.64Å; W234-H254 AromaticContact NE1-ND1 3.72Å; W234-T255 HydrophobicContact CZ3-CG2 4.22Å
235E85.1Confident85.2Confident172 Ų17287.7 Ų87.780%0.80445%0.452SS*.THydrogen-bonded Turntrans-57.2128.3-179.6-67.1-57.6139.300111.2C237E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.47Å
236G84.1Confident85.4Confident84 Ų8485.8 Ų85.887%0.86644%0.437SS*.THydrogen-bonded Turntrans76.24.4-17400000115.5W234W234-G236 PolarHBondContact O-N 2.75Å
237C87.3Confident85.7Confident16 Ų1685 Ų8511%0.10842%0.421CS..  trans-108.2110.1175.9-168.50000112.3C232 W234 E235 H250 H254C232-C237 HydrophobicContact CB-CB 4.26Å; W234-C237 HydrophobicContact CB-CB 3.92Å; W234-C237 VanDerWaalsContact O-CB 3.32Å; W234-C237 WeakPolarHBondContact O-CB 3.34Å; W234-C237 PolarHBondContact O-N 3.02Å; E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.47Å; C237-H250 PolarHBondContact SG-NE2 3.19Å; C237-H254 PolarHBondContact SG-NE2 3.44Å; C237-H254 VanDerWaalsContact SG-NE2 3.39Å
238E87.8Confident85.8Confident157 Ų15782.8 Ų82.873%0.73442%0.415SS*.  trans-95.311.3-179.5-58.6-166.6146.100113.9
239W88.4Confident85.8Confident147 Ų14781.4 Ų81.456%0.55741%0.407SS*.  trans-65.8137.1-174.2-79.665.5000112.2C232 F241 H250C232-W239 HydrophobicContact CB-CB 4.45Å; C232-W239 PolarHBondContact N-O 3.22Å; W239-F241 HydrophobicContact CB-CE2 3.87Å; W239-F241 HydrophobicContact CB-CZ 3.88Å; W239-F241 HydrophobicContact CD2-CZ 4.48Å; W239-F241 HydrophobicContact CE3-CE1 4.09Å; W239-F241 AromaticContact CE3-CZ 3.86Å; W239-F241 HydrophobicContact CE3-CZ 3.86Å; W239-H250 AromaticContact CG-CE1 3.75Å
240R89.3Confident86.1Confident109 Ų10979.2 Ų79.241%0.41139%0.391SS..EExtended strand (participates in β ladder)trans-125.8145.5177.1-50.4-17671.2113.95.4111.2K228 Y230 R231K228-R240 HydrophobicContact CB-CB 3.62Å; K228-R240 HydrophobicContact CD-CB 4.24Å; K228-R240 WeakPolarHBondContact CD-O 3.22Å; K228-R240 PolarHBondContact O-NE 2.84Å; K228-R240 PolarHBondContact O-NH2 3.22Å; Y230-R240 CarbonylContact O-C 3.51Å; Y230-R240 VanDerWaalsContact O-CA 3.26Å; Y230-R240 WeakPolarHBondContact O-CA 3.15Å; R231-R240 HydrophobicContact CB-CG 4.25Å
241F85.1Confident86Confident25 Ų2579.2 Ų79.211%0.1139%0.393CS..EExtended strand (participates in β ladder)trans-127.8149.9-174.1-57.9-80.9000111.2K228 Y230 W239 R243 E246 L247 H250K228-F241 CarbonylContact C-O 3.59Å; K228-F241 VanDerWaalsContact C-O 3.31Å; K228-F241 VanDerWaalsContact CA-O 3.27Å; K228-F241 WeakPolarHBondContact CA-O 3.2Å; Y230-F241 WeakPolarHBondContact CB-O 3.07Å; Y230-F241 WeakPolarHBondContact CD2-O 3.42Å; Y230-F241 PolarHBondContact N-O 3.19Å; Y230-F241 VanDerWaalsContact N-O 3.09Å; Y230-F241 PolarHBondContact O-N 3.26Å; W239-F241 HydrophobicContact CB-CE2 3.87Å; W239-F241 HydrophobicContact CB-CZ 3.88Å; W239-F241 HydrophobicContact CD2-CZ 4.48Å; W239-F241 HydrophobicContact CE3-CE1 4.09Å; W239-F241 AromaticContact CE3-CZ 3.86Å; W239-F241 HydrophobicContact CE3-CZ 3.86Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-E246 HydrophobicContact CB-CB 3.95Å; F241-E246 HydrophobicContact CD1-CB 3.73Å; F241-E246 HydrophobicContact CG-CB 4.04Å; F241-L247 HydrophobicContact CB-CB 4.35Å; F241-L247 HydrophobicContact CD2-CB 3.79Å; F241-L247 HydrophobicContact CD2-CD1 3.82Å; F241-L247 HydrophobicContact CD2-CG 4.41Å; F241-L247 HydrophobicContact CE2-CD1 3.99Å; F241-L247 HydrophobicContact CG-CB 4.26Å; F241-H250 HydrophobicContact CE1-CB 4.01Å; F241-H250 HydrophobicContact CE2-CB 3.71Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.57Å; F241-H250 HydrophobicContact CZ-CB 3.34Å; F241-H250 AromaticContact CZ-CD2 3.72Å; F241-H250 AromaticContact CZ-CG 3.24Å; F241-H250 AromaticContact CZ-ND1 3.49Å; F241-H250 WeakPolarHBondContact CZ-ND1 3.5Å
242A83.6Confident86Confident15 Ų1576 Ų7612%0.12438%0.38CS..SBendtrans-81.2-20176.800000111.6R222 Y230 E246R222-A242 HydrophobicContact CB-CB 4.18Å; R222-A242 WeakPolarHBondContact CD-O 3.35Å; Y230-A242 WeakPolarHBondContact CE2-O 3.43Å; A242-E246 PolarHBondContact N-OE2 3.34Å
243R81.9Confident85.8Confident106 Ų10683.9 Ų83.940%0.441%0.414SS..SBendtrans-131.2152-178.6-55.2169.946.1160.1-5.9112.4A219 F241 D245 E246 L247A219-R243 HydrophobicContact CB-CG 4.31Å; F241-R243 VanDerWaalsContact C-N 3.32Å; R243-D245 WeakPolarHBondContact CB-OD1 3.04Å; R243-D245 IonicContact CZ-OD1 3.43Å; R243-D245 IonicContact CZ-OD2 3.39Å; R243-D245 IonicContact NE-OD1 2.82Å; R243-D245 PolarHBondContact NE-OD1 3.43Å; R243-D245 IonicContact NE-OD2 3.5Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 VanDerWaalsContact NH2-CG 3.29Å; R243-D245 IonicContact NH2-OD1 3.2Å; R243-D245 PolarHBondContact NH2-OD1 3.11Å; R243-D245 IonicContact NH2-OD2 2.71Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; R243-E246 HydrophobicContact CB-CB 4.46Å; R243-E246 HydrophobicContact CB-CG 4.05Å; R243-E246 WeakPolarHBondContact CD-OE1 3.33Å; R243-E246 PolarHBondContact N-OE2 3.48Å; R243-E246 PolarHBondContact O-N 3.17Å; R243-L247 PolarHBondContact O-N 2.94Å
244S83.6Confident85.8Confident60 Ų6081.2 Ų81.242%0.4239%0.39SS..Hα-helixtrans-69.3-37.717952.50000112.8E246 L247 T248S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.47Å; S244-L247 WeakPolarHBondContact O-CB 3.26Å; S244-L247 PolarHBondContact O-N 3.29Å; S244-T248 PolarHBondContact O-N 3.5Å; S244-T248 PolarHBondContact O-OG1 3.01Å; S244-T248 VanDerWaalsContact O-OG1 3.13Å
245D82.8Confident85.7Confident77 Ų7779.5 Ų79.541%0.41239%0.392SS..Hα-helixtrans-65.5-31.5178.760.3-57.4000112.6R243 R249R243-D245 WeakPolarHBondContact CB-OD1 3.04Å; R243-D245 IonicContact CZ-OD1 3.43Å; R243-D245 IonicContact CZ-OD2 3.39Å; R243-D245 IonicContact NE-OD1 2.82Å; R243-D245 PolarHBondContact NE-OD1 3.43Å; R243-D245 IonicContact NE-OD2 3.5Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 VanDerWaalsContact NH2-CG 3.29Å; R243-D245 IonicContact NH2-OD1 3.2Å; R243-D245 PolarHBondContact NH2-OD1 3.11Å; R243-D245 IonicContact NH2-OD2 2.71Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.44Å
246E85.6Confident85.7Confident47 Ų4773.6 Ų73.622%0.2238%0.377CS..Hα-helixtrans-66.6-44.1172.7-67.1169.8173.800111.4F241 A242 R243 S244 R249 H250F241-E246 HydrophobicContact CB-CB 3.95Å; F241-E246 HydrophobicContact CD1-CB 3.73Å; F241-E246 HydrophobicContact CG-CB 4.04Å; A242-E246 PolarHBondContact N-OE2 3.34Å; R243-E246 HydrophobicContact CB-CB 4.46Å; R243-E246 HydrophobicContact CB-CG 4.05Å; R243-E246 WeakPolarHBondContact CD-OE1 3.33Å; R243-E246 PolarHBondContact N-OE2 3.48Å; R243-E246 PolarHBondContact O-N 3.17Å; S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.47Å; E246-R249 PolarHBondContact O-N 3.26Å; E246-H250 WeakPolarHBondContact O-CB 3.36Å; E246-H250 PolarHBondContact O-N 3.05Å
247L88.4Confident85.7Confident34 Ų3471.5 Ų71.518%0.17835%0.352CS..Hα-helixtrans-61.5-48.2174.4172.462.2000111.1C232 F241 R243 S244 R249 H250 F251C232-L247 HydrophobicContact CB-CD1 4.09Å; F241-L247 HydrophobicContact CB-CB 4.35Å; F241-L247 HydrophobicContact CD2-CB 3.79Å; F241-L247 HydrophobicContact CD2-CD1 3.82Å; F241-L247 HydrophobicContact CD2-CG 4.41Å; F241-L247 HydrophobicContact CE2-CD1 3.99Å; F241-L247 HydrophobicContact CG-CB 4.26Å; R243-L247 PolarHBondContact O-N 2.94Å; S244-L247 WeakPolarHBondContact O-CB 3.26Å; S244-L247 PolarHBondContact O-N 3.29Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.07Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.45Å; L247-H250 VanDerWaalsContact O-N 3.13Å; L247-F251 WeakPolarHBondContact O-CB 3.35Å; L247-F251 PolarHBondContact O-N 3.09Å
248T86.2Confident85.8Confident69 Ų6977 Ų7742%0.42337%0.374SS..Hα-helixtrans-58.7-43.4177.9-56.30000111.5S244 F251 R252S244-T248 PolarHBondContact O-N 3.5Å; S244-T248 PolarHBondContact O-OG1 3.01Å; S244-T248 VanDerWaalsContact O-OG1 3.13Å; T248-F251 PolarHBondContact O-N 3.17Å; T248-R252 PolarHBondContact O-N 3.25Å
249R84.5Confident85.7Confident91 Ų9173.3 Ų73.334%0.34336%0.364SS..Hα-helixtrans-64-42.2175.8177.5178.859.9177.4-3111.7D245 E246 L247 F251 R252 R271D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.44Å; E246-R249 PolarHBondContact O-N 3.26Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.07Å; R249-F251 VanDerWaalsContact C-N 3.33Å; R249-R252 WeakPolarHBondContact O-CB 3.34Å; R249-R252 PolarHBondContact O-N 3.49Å; R249-R271 HydrophobicContact CG-CG 4.35Å
250H88.6Confident85.7Confident18 Ų1869.1 Ų69.18%0.08335%0.349CS..Hα-helixtrans-62.6-41.3176.5169.485.3000111.5C232 C237 W239 F241 E246 L247 R252 K253 H254C232-H250 VanDerWaalsContact SG-CD2 3.59Å; C237-H250 PolarHBondContact SG-NE2 3.19Å; W239-H250 AromaticContact CG-CE1 3.75Å; F241-H250 HydrophobicContact CE1-CB 4.01Å; F241-H250 HydrophobicContact CE2-CB 3.71Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.57Å; F241-H250 HydrophobicContact CZ-CB 3.34Å; F241-H250 AromaticContact CZ-CD2 3.72Å; F241-H250 AromaticContact CZ-CG 3.24Å; F241-H250 AromaticContact CZ-ND1 3.49Å; F241-H250 WeakPolarHBondContact CZ-ND1 3.5Å; E246-H250 WeakPolarHBondContact O-CB 3.36Å; E246-H250 PolarHBondContact O-N 3.05Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.45Å; L247-H250 VanDerWaalsContact O-N 3.13Å; H250-R252 PolarHBondContact O-N 3.33Å; H250-R252 VanDerWaalsContact O-N 3.14Å; H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 WeakPolarHBondContact O-CG 3.47Å; H250-K253 PolarHBondContact O-N 3.42Å; H250-H254 AromaticContact CD2-NE2 3.89Å; H250-H254 AromaticContact CE1-NE2 3.89Å; H250-H254 AromaticContact NE2-CD2 3.97Å; H250-H254 AromaticContact NE2-NE2 3.21Å; H250-H254 PolarHBondContact NE2-NE2 2.99Å
251F84.4Confident85.7Confident78 Ų7870 Ų7034%0.34236%0.356SS..Hα-helixtrans-61.4-25179.5-159.5-102.7000113.5W234 L247 T248 R249 K253 H254 T255W234-F251 HydrophobicContact CB-CE2 4.48Å; W234-F251 AromaticContact CE3-CE2 3.82Å; W234-F251 HydrophobicContact CE3-CE2 3.82Å; W234-F251 AromaticContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CZ3-CZ 4.19Å; L247-F251 WeakPolarHBondContact O-CB 3.35Å; L247-F251 PolarHBondContact O-N 3.09Å; T248-F251 PolarHBondContact O-N 3.17Å; R249-F251 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 2.98Å; F251-H254 PolarHBondContact O-N 3.3Å; F251-H254 VanDerWaalsContact O-N 3.16Å; F251-T255 HydrophobicContact CD1-CG2 3.89Å; F251-T255 HydrophobicContact CE1-CG2 3.57Å; F251-T255 HydrophobicContact CZ-CG2 4.36Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.25Å; F251-T255 VanDerWaalsContact O-OG1 3.08Å
252R87.9Confident86.1Confident70 Ų7069.1 Ų69.126%0.26435%0.353SS..Hα-helixtrans-63.5-21.8171.3-62.2-178.7-176.81563.9113.5T248 R249 H250 T255 G256 A257 S270T248-R252 PolarHBondContact O-N 3.25Å; R249-R252 WeakPolarHBondContact O-CB 3.34Å; R249-R252 PolarHBondContact O-N 3.49Å; H250-R252 PolarHBondContact O-N 3.33Å; H250-R252 VanDerWaalsContact O-N 3.14Å; R252-T255 WeakPolarHBondContact CA-OG1 3.4Å; R252-G256 WeakPolarHBondContact O-CA 3.32Å; R252-G256 PolarHBondContact O-N 3.3Å; R252-A257 HydrophobicContact CB-CB 4.42Å; R252-A257 HydrophobicContact CG-CB 4.27Å; R252-A257 PolarHBondContact O-N 3.4Å; R252-S270 WeakPolarHBondContact CD-O 3.08Å; R252-S270 PolarHBondContact NH1-O 3.42Å
253K85.7Confident86.4Confident169 Ų16973 Ų7374%0.73538%0.379SS*.Hα-helixtrans-70.7-35.4174.9-63.5-174172-168.70111.7H250 F251H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 WeakPolarHBondContact O-CG 3.47Å; H250-K253 PolarHBondContact O-N 3.42Å; F251-K253 PolarHBondContact O-N 2.98Å
254H85.6Confident86.7Confident52 Ų5274.3 Ų74.324%0.24139%0.39CS..Hα-helixtrans-75.5-44.6177.9-64.1-59.8000112.1C232 W234 C237 H250 F251 G256C232-H254 PolarHBondContact SG-NE2 2.72Å; W234-H254 AromaticContact CD1-CE1 3.7Å; W234-H254 AromaticContact CD1-CG 3.94Å; W234-H254 AromaticContact CD1-ND1 3.46Å; W234-H254 HydrophobicContact CD2-CB 3.41Å; W234-H254 VanDerWaalsContact CD2-CB 3.41Å; W234-H254 AromaticContact CD2-CG 3.51Å; W234-H254 AromaticContact CD2-ND1 3.8Å; W234-H254 AromaticContact CE2-CG 3.95Å; W234-H254 AromaticContact CE2-ND1 3.92Å; W234-H254 HydrophobicContact CE3-CB 3.38Å; W234-H254 AromaticContact CE3-CG 3.89Å; W234-H254 HydrophobicContact CG-CB 4Å; W234-H254 AromaticContact CG-CD2 3.75Å; W234-H254 AromaticContact CG-CE1 3.75Å; W234-H254 AromaticContact CG-CG 3.5Å; W234-H254 AromaticContact CG-ND1 3.5Å; W234-H254 AromaticContact CG-NE2 3.93Å; W234-H254 HydrophobicContact CH2-CB 3.92Å; W234-H254 HydrophobicContact CZ2-CB 3.96Å; W234-H254 HydrophobicContact CZ3-CB 3.64Å; W234-H254 AromaticContact NE1-ND1 3.72Å; C237-H254 PolarHBondContact SG-NE2 3.44Å; C237-H254 VanDerWaalsContact SG-NE2 3.39Å; H250-H254 AromaticContact CD2-NE2 3.89Å; H250-H254 AromaticContact CE1-NE2 3.89Å; H250-H254 AromaticContact NE2-CD2 3.97Å; H250-H254 AromaticContact NE2-NE2 3.21Å; H250-H254 PolarHBondContact NE2-NE2 2.99Å; F251-H254 PolarHBondContact O-N 3.3Å; F251-H254 VanDerWaalsContact O-N 3.16Å; H254-G256 VanDerWaalsContact C-N 3.34Å; H254-G256 PolarHBondContact O-N 3.29Å
255T84.8Confident87.1Confident73 Ų7373.3 Ų73.345%0.44838%0.382SS..Hα-helixtrans-81.4-11.5-177.652.50000113.9W234 F251 R252 A257W234-T255 HydrophobicContact CZ3-CG2 4.22Å; F251-T255 HydrophobicContact CD1-CG2 3.89Å; F251-T255 HydrophobicContact CE1-CG2 3.57Å; F251-T255 HydrophobicContact CZ-CG2 4.36Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.25Å; F251-T255 VanDerWaalsContact O-OG1 3.08Å; R252-T255 WeakPolarHBondContact CA-OG1 3.4Å; T255-A257 PolarHBondContact O-N 2.98Å; T255-A257 VanDerWaalsContact O-N 3.16Å
256G84.9Confident87.4Confident49 Ų4976.4 Ų76.451%0.50540%0.399SS..  trans6610.8-172.700000114.3R252 H254 K258R252-G256 WeakPolarHBondContact O-CA 3.32Å; R252-G256 PolarHBondContact O-N 3.3Å; H254-G256 VanDerWaalsContact C-N 3.34Å; H254-G256 PolarHBondContact O-N 3.29Å; G256-K258 PolarHBondContact O-N 2.9Å
257A84.2Confident87.5Confident40 Ų4081.3 Ų81.333%0.33142%0.415SS..  trans-62.1123-173.500000112.3R252 T255 P259R252-A257 HydrophobicContact CB-CB 4.42Å; R252-A257 HydrophobicContact CG-CB 4.27Å; R252-A257 PolarHBondContact O-N 3.4Å; T255-A257 PolarHBondContact O-N 2.98Å; T255-A257 VanDerWaalsContact O-N 3.16Å; A257-P259 WeakPolarHBondContact O-CD 3.33Å
258K88.4Confident87.6Confident131 Ų13182 Ų8257%0.5742%0.423SS*.  trans-123.474.5179-69.7171-179.5179.90111G256 F260 C268 F269G256-K258 PolarHBondContact O-N 2.9Å; K258-F260 PolarHBondContact O-N 2.96Å; K258-C268 HydrophobicContact CB-CB 3.76Å; K258-C268 HydrophobicContact CD-CB 4.43Å; K258-F269 CarbonylContact C-O 3.47Å; K258-F269 VanDerWaalsContact C-O 3.27Å; K258-F269 VanDerWaalsContact CA-O 3.31Å; K258-F269 WeakPolarHBondContact CA-O 3.35Å
259P85.5Confident87.6Confident80 Ų8080.5 Ų80.552%0.51941%0.41SS..  trans-72-12.7-173.328.2-34.3000114A257A257-P259 WeakPolarHBondContact O-CD 3.33Å
260F89.1Confident87.7Confident59 Ų5978.1 Ų78.126%0.25941%0.408SS..EExtended strand (participates in β ladder)trans-100.495.6-174.6-59.1-75.4000111K258 C268 F269 L275K258-F260 PolarHBondContact O-N 2.96Å; F260-C268 CarbonylContact O-C 3.27Å; F260-C268 WeakPolarHBondContact O-CA 3.46Å; F260-F269 HydrophobicContact CB-CB 4.25Å; F260-F269 WeakPolarHBondContact CB-O 3.43Å; F260-F269 WeakPolarHBondContact CD2-O 3.45Å; F260-F269 PolarHBondContact N-O 2.88Å; F260-F269 PolarHBondContact O-N 2.96Å; F260-L275 HydrophobicContact CB-CB 4.19Å; F260-L275 HydrophobicContact CB-CD2 3.97Å
261K89.2Confident87.7Confident128 Ų12880.8 Ų80.856%0.55742%0.417SS*.EExtended strand (participates in β ladder)trans-84.7140.4176.4-174.9172.8-179.3179.20111.7D266K261-D266 IonicContact NZ-OD1 3.32Å
262C92.8Very high88Confident5 Ų580.4 Ų80.43%0.03442%0.424CS..  trans-75139.1169.7-176.30000111.4H264 C265 R267 F269 L275 H278 M279C262-H264 PolarHBondContact SG-N 2.64Å; C262-H264 VanDerWaalsContact SG-N 3.4Å; C262-C265 CarbonylContact C-O 3.57Å; C262-C265 WeakPolarHBondContact CB-O 3.27Å; C262-R267 VanDerWaalsContact CB-O 3.29Å; C262-R267 WeakPolarHBondContact CB-O 3.42Å; C262-R267 PolarHBondContact N-O 3.09Å; C262-F269 HydrophobicContact CB-CE2 4.42Å; C262-L275 HydrophobicContact CB-CD1 4.04Å; C262-H278 PolarHBondContact SG-NE2 3.37Å; C262-H278 VanDerWaalsContact SG-NE2 3.45Å; C262-M279 HydrophobicContact CB-CE 3.97Å; C262-M279 WeakPolarHBondContact SG-CE 3.46Å
263S91.1Very high88.2Confident98 Ų9880.2 Ų80.269%0.68543%0.428SS*.SBendtrans-79.2-22.4176.250.60000113.3
264H87.7Confident88.4Confident133 Ų13375.9 Ų75.962%0.61641%0.41SS*.SBendtrans-99.7-13.9-176.2-64-75.4000113.4C262 H282C262-H264 PolarHBondContact SG-N 2.64Å; C262-H264 VanDerWaalsContact SG-N 3.4Å; H264-H282 HydrophobicContact CB-CB 4.29Å
265C91.9Very high88.7Confident39 Ų3974.8 Ų74.826%0.26441%0.406SS..SBendtrans-155.4170.2176.969.60000111.6C262 R267 H278C262-C265 CarbonylContact C-O 3.57Å; C262-C265 WeakPolarHBondContact CB-O 3.27Å; C265-R267 PolarHBondContact O-N 3Å; C265-R267 VanDerWaalsContact O-N 3.07Å; C265-H278 PolarHBondContact SG-NE2 2.91Å
266D89.4Confident89.1Confident141 Ų14174 Ų7475%0.75441%0.407SS*.SBendtrans-78.614.1-177.6-64.4-51.7000115K261K261-D266 IonicContact NZ-OD1 3.32Å
267R87.2Confident89.5Confident150 Ų15076.8 Ų76.857%0.56641%0.41SS*.  trans-76.5130.7176.6-72-167.6178.3154.11.9111.4C262 C265 F269C262-R267 VanDerWaalsContact CB-O 3.29Å; C262-R267 WeakPolarHBondContact CB-O 3.42Å; C262-R267 PolarHBondContact N-O 3.09Å; C265-R267 PolarHBondContact O-N 3Å; C265-R267 VanDerWaalsContact O-N 3.07Å; R267-F269 HydrophobicContact CB-CE2 3.8Å; R267-F269 HydrophobicContact CB-CZ 3.88Å
268C90Very high89.8Confident50 Ų5075.6 Ų75.634%0.33840%0.397SS..EExtended strand (participates in β ladder)trans-113.2144.8172.4-59.70000110.9K258 F260K258-C268 HydrophobicContact CB-CB 3.76Å; K258-C268 HydrophobicContact CD-CB 4.43Å; F260-C268 CarbonylContact O-C 3.27Å; F260-C268 WeakPolarHBondContact O-CA 3.46Å
269F87.6Confident90Very high37 Ų3771.3 Ų71.316%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-124.8148.6-175.9-57.8-91.1000110.6K258 F260 C262 R267 R271 H274 L275 H278K258-F269 CarbonylContact C-O 3.47Å; K258-F269 VanDerWaalsContact C-O 3.27Å; K258-F269 VanDerWaalsContact CA-O 3.31Å; K258-F269 WeakPolarHBondContact CA-O 3.35Å; F260-F269 HydrophobicContact CB-CB 4.25Å; F260-F269 WeakPolarHBondContact CB-O 3.43Å; F260-F269 WeakPolarHBondContact CD2-O 3.45Å; F260-F269 PolarHBondContact N-O 2.88Å; F260-F269 PolarHBondContact O-N 2.96Å; C262-F269 HydrophobicContact CB-CE2 4.42Å; R267-F269 HydrophobicContact CB-CE2 3.8Å; R267-F269 HydrophobicContact CB-CZ 3.88Å; F269-R271 VanDerWaalsContact C-N 3.31Å; F269-H274 HydrophobicContact CB-CB 4.31Å; F269-H274 HydrophobicContact CD1-CB 3.94Å; F269-H274 HydrophobicContact CG-CB 4.4Å; F269-L275 HydrophobicContact CB-CB 4.4Å; F269-L275 HydrophobicContact CD2-CB 4.06Å; F269-L275 HydrophobicContact CD2-CD1 3.65Å; F269-L275 HydrophobicContact CD2-CG 4.5Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.36Å; F269-H278 HydrophobicContact CE1-CB 3.98Å; F269-H278 HydrophobicContact CE2-CB 3.94Å; F269-H278 AromaticContact CE2-CD2 3.44Å; F269-H278 VanDerWaalsContact CE2-CD2 3.44Å; F269-H278 WeakPolarHBondContact CE2-CD2 2.93Å; F269-H278 AromaticContact CE2-CG 3.7Å; F269-H278 HydrophobicContact CZ-CB 3.44Å; F269-H278 VanDerWaalsContact CZ-CB 3.44Å; F269-H278 AromaticContact CZ-CD2 3.47Å; F269-H278 VanDerWaalsContact CZ-CD2 3.47Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.44Å; F269-H278 AromaticContact CZ-CG 3.25Å; F269-H278 AromaticContact CZ-ND1 3.77Å
270S86.5Confident90.3Very high41 Ų4174.4 Ų74.429%0.28739%0.385SS..SBendtrans-81-14175.956.90000113R252R252-S270 WeakPolarHBondContact CD-O 3.08Å; R252-S270 PolarHBondContact NH1-O 3.42Å
271R88.4Confident90.3Very high74 Ų7481 Ų8128%0.27941%0.408SS..SBendtrans-136.6147.7-179-54.916454.7158.6-0.6111.9R249 F269 D273 H274 L275R249-R271 HydrophobicContact CG-CG 4.35Å; F269-R271 VanDerWaalsContact C-N 3.31Å; R271-D273 WeakPolarHBondContact CB-OD1 3.33Å; R271-D273 IonicContact CZ-OD1 2.97Å; R271-D273 IonicContact CZ-OD2 3.35Å; R271-D273 VanDerWaalsContact CZ-OD2 3.32Å; R271-D273 IonicContact NE-OD1 2.64Å; R271-D273 PolarHBondContact NE-OD1 3.43Å; R271-D273 IonicContact NE-OD2 3.77Å; R271-D273 PolarHBondContact NE-OD2 3.34Å; R271-D273 IonicContact NH2-OD1 3.64Å; R271-D273 IonicContact NH2-OD2 3.76Å; R271-D273 PolarHBondContact NH2-OD2 3.05Å; R271-H274 HydrophobicContact CB-CB 4.43Å; R271-H274 WeakPolarHBondContact CD-NE2 3.14Å; R271-H274 PolarHBondContact NE-NE2 3.35Å; R271-L275 PolarHBondContact O-N 3.5Å
272S90.4Very high90.2Very high70 Ų7078.7 Ų78.749%0.4940%0.399SS..Hα-helixtrans-72.9-32.3-178.7530000113.3L275 A276S272-L275 WeakPolarHBondContact O-CB 3.41Å; S272-L275 PolarHBondContact O-N 2.98Å; S272-A276 WeakPolarHBondContact O-CB 3.47Å; S272-A276 PolarHBondContact O-N 2.95Å
273D90.9Very high89.6Confident66 Ų6687.8 Ų87.835%0.35345%0.446SS..Hα-helixtrans-67.2-38.3175.758.8-27.4000111.7R271 A276 L277R271-D273 WeakPolarHBondContact CB-OD1 3.33Å; R271-D273 IonicContact CZ-OD1 2.97Å; R271-D273 IonicContact CZ-OD2 3.35Å; R271-D273 VanDerWaalsContact CZ-OD2 3.32Å; R271-D273 IonicContact NE-OD1 2.64Å; R271-D273 PolarHBondContact NE-OD1 3.43Å; R271-D273 IonicContact NE-OD2 3.77Å; R271-D273 PolarHBondContact NE-OD2 3.34Å; R271-D273 IonicContact NH2-OD1 3.64Å; R271-D273 IonicContact NH2-OD2 3.76Å; R271-D273 PolarHBondContact NH2-OD2 3.05Å; D273-A276 PolarHBondContact O-N 3.47Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.47Å
274H91.4Very high89.5Confident77 Ų7787.3 Ų87.336%0.35643%0.434SS..Hα-helixtrans-64.6-41.5173.2-67.5-157.4000111.2F269 R271 L277 H278F269-H274 HydrophobicContact CB-CB 4.31Å; F269-H274 HydrophobicContact CD1-CB 3.94Å; F269-H274 HydrophobicContact CG-CB 4.4Å; R271-H274 HydrophobicContact CB-CB 4.43Å; R271-H274 WeakPolarHBondContact CD-NE2 3.14Å; R271-H274 PolarHBondContact NE-NE2 3.35Å; H274-L277 PolarHBondContact O-N 3.3Å; H274-H278 WeakPolarHBondContact O-CB 3.31Å; H274-H278 PolarHBondContact O-N 3.47Å
275L92.1Very high89.6Confident30 Ų3084.9 Ų84.916%0.15742%0.424CS..Hα-helixtrans-59.7-47171.5177.468.3000110.8F260 C262 F269 R271 S272 L277 H278 M279F260-L275 HydrophobicContact CB-CB 4.19Å; F260-L275 HydrophobicContact CB-CD2 3.97Å; C262-L275 HydrophobicContact CB-CD1 4.04Å; F269-L275 HydrophobicContact CB-CB 4.4Å; F269-L275 HydrophobicContact CD2-CB 4.06Å; F269-L275 HydrophobicContact CD2-CD1 3.65Å; F269-L275 HydrophobicContact CD2-CG 4.5Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.36Å; R271-L275 PolarHBondContact O-N 3.5Å; S272-L275 WeakPolarHBondContact O-CB 3.41Å; S272-L275 PolarHBondContact O-N 2.98Å; L275-L277 PolarHBondContact O-N 2.98Å; L275-H278 CarbonylContact O-C 3.31Å; L275-H278 WeakPolarHBondContact O-CB 3.46Å; L275-H278 PolarHBondContact O-N 2.92Å; L275-H278 VanDerWaalsContact O-N 3.14Å; L275-M279 HydrophobicContact CD1-CE 3.51Å; L275-M279 HydrophobicContact CD1-CG 4.39Å; L275-M279 HydrophobicContact CD2-CE 4.47Å; L275-M279 HydrophobicContact CG-CE 4.08Å; L275-M279 HydrophobicContact CG-CG 4.35Å; L275-M279 VanDerWaalsContact O-CG 3.24Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.37Å
276A92Very high89.5Confident57 Ų5787.4 Ų87.447%0.47143%0.433SS..Hα-helixtrans-62.3-41-178.900000112.7S272 D273 M279 K280S272-A276 WeakPolarHBondContact O-CB 3.47Å; S272-A276 PolarHBondContact O-N 2.95Å; D273-A276 PolarHBondContact O-N 3.47Å; A276-M279 PolarHBondContact O-N 3.49Å; A276-K280 PolarHBondContact O-N 2.73Å
277L93.3Very high89.5Confident107 Ų10784.3 Ų84.356%0.5641%0.414SS*.Hα-helixtrans-65-40.7172.9-71.8173.6000111.7D273 H274 L275 M279 K280D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.47Å; H274-L277 PolarHBondContact O-N 3.3Å; L275-L277 PolarHBondContact O-N 2.98Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 3.06Å; L277-K280 WeakPolarHBondContact O-CB 3.27Å; L277-K280 PolarHBondContact O-N 3.12Å
278H91.7Very high89.6Confident14 Ų1480.2 Ų80.27%0.06541%0.405CS..Hα-helixtrans-62.3-40.1174.9173.565.6000112.2C262 C265 F269 H274 L275 K280 R281 H282C262-H278 PolarHBondContact SG-NE2 3.37Å; C262-H278 VanDerWaalsContact SG-NE2 3.45Å; C265-H278 PolarHBondContact SG-NE2 2.91Å; F269-H278 HydrophobicContact CE1-CB 3.98Å; F269-H278 HydrophobicContact CE2-CB 3.94Å; F269-H278 AromaticContact CE2-CD2 3.44Å; F269-H278 VanDerWaalsContact CE2-CD2 3.44Å; F269-H278 WeakPolarHBondContact CE2-CD2 2.93Å; F269-H278 AromaticContact CE2-CG 3.7Å; F269-H278 HydrophobicContact CZ-CB 3.44Å; F269-H278 VanDerWaalsContact CZ-CB 3.44Å; F269-H278 AromaticContact CZ-CD2 3.47Å; F269-H278 VanDerWaalsContact CZ-CD2 3.47Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.44Å; F269-H278 AromaticContact CZ-CG 3.25Å; F269-H278 AromaticContact CZ-ND1 3.77Å; H274-H278 WeakPolarHBondContact O-CB 3.31Å; H274-H278 PolarHBondContact O-N 3.47Å; L275-H278 CarbonylContact O-C 3.31Å; L275-H278 WeakPolarHBondContact O-CB 3.46Å; L275-H278 PolarHBondContact O-N 2.92Å; L275-H278 VanDerWaalsContact O-N 3.14Å; H278-K280 PolarHBondContact O-N 3.38Å; H278-R281 VanDerWaalsContact O-CB 3.3Å; H278-R281 WeakPolarHBondContact O-CB 3.46Å; H278-R281 PolarHBondContact O-N 3.46Å; H278-H282 AromaticContact CD2-NE2 3.74Å; H278-H282 AromaticContact CE1-NE2 3.24Å; H278-H282 PolarHBondContact CE1-NE2 2.82Å; H278-H282 AromaticContact NE2-CD2 3.62Å; H278-H282 AromaticContact NE2-CE1 4Å; H278-H282 AromaticContact NE2-NE2 2.9Å; H278-H282 PolarHBondContact NE2-NE2 3.15Å
279M90.8Very high89.6Confident42 Ų4282.2 Ų82.221%0.20741%0.409CS..Hα-helixtrans-59.9-30.2178.1-72.7-65176.100112.8C262 L275 A276 L277 R281 H282C262-M279 HydrophobicContact CB-CE 3.97Å; C262-M279 WeakPolarHBondContact SG-CE 3.46Å; L275-M279 HydrophobicContact CD1-CE 3.51Å; L275-M279 HydrophobicContact CD1-CG 4.39Å; L275-M279 HydrophobicContact CD2-CE 4.47Å; L275-M279 HydrophobicContact CG-CE 4.08Å; L275-M279 HydrophobicContact CG-CG 4.35Å; L275-M279 VanDerWaalsContact O-CG 3.24Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.37Å; A276-M279 PolarHBondContact O-N 3.49Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 3.06Å; M279-R281 PolarHBondContact O-N 2.96Å; M279-R281 VanDerWaalsContact O-N 3.13Å; M279-H282 PolarHBondContact O-N 3.35Å
280K92.7Very high89.7Confident145 Ų14585.4 Ų85.463%0.6343%0.427SS*.THydrogen-bonded Turntrans-62.8-16.4173.9-62.9-177.1179.1-176.50113.9A276 L277 H278 H282A276-K280 PolarHBondContact O-N 2.73Å; L277-K280 WeakPolarHBondContact O-CB 3.27Å; L277-K280 PolarHBondContact O-N 3.12Å; H278-K280 PolarHBondContact O-N 3.38Å; K280-H282 VanDerWaalsContact C-N 3.34Å
281R90.1Very high90Very high198 Ų19888.8 Ų88.875%0.74744%0.437SS*.THydrogen-bonded Turntrans-85.7-9.3176.6-57.4176.761.31162.1113H278 M279H278-R281 VanDerWaalsContact O-CB 3.3Å; H278-R281 WeakPolarHBondContact O-CB 3.46Å; H278-R281 PolarHBondContact O-N 3.46Å; M279-R281 PolarHBondContact O-N 2.96Å; M279-R281 VanDerWaalsContact O-N 3.13Å
282H85.3Confident90.1Very high78 Ų7890.1 Ų90.136%0.36145%0.451SS..  trans-105.72.4178.2-64.6-65.6000112.7H264 H278 M279 K280H264-H282 HydrophobicContact CB-CB 4.29Å; H278-H282 AromaticContact CD2-NE2 3.74Å; H278-H282 AromaticContact CE1-NE2 3.24Å; H278-H282 PolarHBondContact CE1-NE2 2.82Å; H278-H282 AromaticContact NE2-CD2 3.62Å; H278-H282 AromaticContact NE2-CE1 4Å; H278-H282 AromaticContact NE2-NE2 2.9Å; H278-H282 PolarHBondContact NE2-NE2 3.15Å; M279-H282 PolarHBondContact O-N 3.35Å; K280-H282 VanDerWaalsContact C-N 3.34Å
283I80.5Confident90.1Very high197 Ų19791.9 Ų91.9100%1.0145%0.447SS*.  trans-101.60173.4-58.2171.8000106.9

Retrieved 283 of 283 residues in 547.7 ms (Link to these results)