A0A087XNY4_POEFO Loading...

Growth arrest specific 2 like 1

AlphaFold DB , UniProt , Accession A0A087XNY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1M36.7Very low33.5Very low245 Ų245130.8 Ų130.8100%1.20776%0.763SS**  0113.20-74.6169.2173.300105.9
2A32.2Very low33.2Very low100 Ų100127.6 Ų127.683%0.82675%0.753SS**  trans-77.5122-176.300000109.1Q4A2-Q4 PolarHBondContact O-N 2.66Å
3D31.3Very low33.3Very low142 Ų142131.8 Ų131.876%0.75976%0.756SS**  trans-68.6121.7-176.7-108.6-34.4000111S5D3-S5 PolarHBondContact O-N 3.01Å
4Q37.4Very low33.1Very low174 Ų174128.4 Ų128.481%0.81374%0.744SS**THydrogen-bonded Turntrans-74.627.8-179.1-68.4-179.70.100113.4A2A2-Q4 PolarHBondContact O-N 2.66Å
5S40.2Very low33.4Very low81 Ų81130.9 Ų130.957%0.56675%0.752SS**THydrogen-bonded Turntrans-95-8.7-178.351.30000114D3D3-S5 PolarHBondContact O-N 3.01Å
6N33.4Very low33.5Very low142 Ų142133 Ų13376%0.75974%0.743SS**SBendtrans-90.11.6-179.6-90.2-31.4000115.6
7I36.3Very low33.8Very low135 Ų135132.3 Ų132.369%0.69275%0.746SS**SBendtrans-95.6-16.8-179-62.1174.5000112.1
8Q33.2Very low33.8Very low160 Ų160131.8 Ų131.875%0.74873%0.734SS**THydrogen-bonded Turntrans-91-6.2179.9-74.1-178-12.600114.7
9S31.3Very low34.6Very low100 Ų100131 Ų13170%0.69972%0.722SS**THydrogen-bonded Turntrans-83.8-9.9172.4-173.40000113.6
10A28.4Very low35.7Very low71 Ų71125.5 Ų125.559%0.58769%0.694SS**SBendtrans-92.2-13176.200000113.2
11A28.4Very low36.9Very low89 Ų89122.1 Ų122.174%0.73668%0.679SS**THydrogen-bonded Turntrans-91.42.9-179.500000113.8
12S29.3Very low38.6Very low92 Ų92114.3 Ų114.364%0.64364%0.639SS**THydrogen-bonded Turntrans-103.614177.4-42.70000112.8S14S12-S14 PolarHBondContact O-N 3.29Å
13K34.1Very low40.9Very low182 Ų182113.1 Ų113.179%0.79162%0.617SS**SBendtrans-65.285.6161.1-74.2-174.3179.6-176.60106.8I15K13-I15 PolarHBondContact O-N 2.84Å
14S31.1Very low43.5Very low85 Ų85107.6 Ų107.659%0.59459%0.585SS**  trans-29.3102.4165.71750000108.8S12 R16S12-S14 PolarHBondContact O-N 3.29Å; S14-R16 PolarHBondContact O-N 3.31Å; S14-R16 VanDerWaalsContact OG-CG 3.26Å; S14-R16 WeakPolarHBondContact OG-CG 3.15Å
15I37.3Very low46Very low166 Ų166100.4 Ų100.485%0.85155%0.553SS**  trans-63.984.2159.7-61.6169.2000103.6K13K13-I15 PolarHBondContact O-N 2.84Å
16R34.4Very low48.5Very low164 Ų164100.4 Ų100.462%0.61954%0.541SS*.  trans-66.4126.4168.9-68.7-173.4-171.4-162.98.6104.6S14 F18S14-R16 PolarHBondContact O-N 3.31Å; S14-R16 VanDerWaalsContact OG-CG 3.26Å; S14-R16 WeakPolarHBondContact OG-CG 3.15Å; R16-F18 HydrophobicContact CB-CD1 4.45Å; R16-F18 HydrophobicContact CB-CD2 3.62Å; R16-F18 HydrophobicContact CB-CE1 4.34Å; R16-F18 HydrophobicContact CB-CE2 3.43Å; R16-F18 VanDerWaalsContact CB-CE2 3.43Å; R16-F18 HydrophobicContact CB-CG 4.19Å; R16-F18 HydrophobicContact CB-CZ 3.87Å; R16-F18 VanDerWaalsContact CD-CE2 3.45Å; R16-F18 HydrophobicContact CG-CE2 4.03Å; R16-F18 HydrophobicContact CG-CZ 4.25Å; R16-F18 PolarHBondContact O-N 3.21Å
17P39.3Very low51.3Low121 Ų12193.7 Ų93.779%0.78651%0.505SS*.  trans-72.488.7175.330-32.1000107.1
18F33.4Very low54.1Low123 Ų12387.6 Ų87.654%0.53947%0.473SS..  trans-87.9126.3177.4-74.8-52.9000110.5R16 E22R16-F18 HydrophobicContact CB-CD1 4.45Å; R16-F18 HydrophobicContact CB-CD2 3.62Å; R16-F18 HydrophobicContact CB-CE1 4.34Å; R16-F18 HydrophobicContact CB-CE2 3.43Å; R16-F18 VanDerWaalsContact CB-CE2 3.43Å; R16-F18 HydrophobicContact CB-CG 4.19Å; R16-F18 HydrophobicContact CB-CZ 3.87Å; R16-F18 VanDerWaalsContact CD-CE2 3.45Å; R16-F18 HydrophobicContact CG-CE2 4.03Å; R16-F18 HydrophobicContact CG-CZ 4.25Å; R16-F18 PolarHBondContact O-N 3.21Å; F18-E22 HydrophobicContact CB-CB 4.41Å; F18-E22 VanDerWaalsContact CD1-OE1 3.24Å; F18-E22 WeakPolarHBondContact CD1-OE1 3.33Å; F18-E22 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E22 WeakPolarHBondContact CE1-OE2 3.47Å; F18-E22 VanDerWaalsContact CG-OE2 3.31Å; F18-E22 WeakPolarHBondContact CG-OE2 3.36Å
19K49.9Very low57.1Low117 Ų11781.3 Ų81.351%0.50944%0.443SS..  trans-72.6141.1-177.9-65.6169.8179.9171.30107.4S21 E22K19-S21 PolarHBondContact O-N 3.49Å; K19-E22 PolarHBondContact O-N 2.88Å
20S56.9Low60.2Low21 Ų2178.4 Ų78.415%0.14742%0.419CS..THydrogen-bonded Turntrans-41.8-20.7-178.963.80000117.5E22 H267S20-E22 VanDerWaalsContact C-N 3.32Å; S20-H267 WeakPolarHBondContact CB-CD2 3.26Å; S20-H267 PolarHBondContact O-ND1 3.27Å; S20-H267 PolarHBondContact OG-CD2 3.49Å; S20-H267 PolarHBondContact OG-NE2 3.33Å
21S60.6Low63.4Low55 Ų5575.3 Ų75.339%0.38539%0.392SS..Hα-helixtrans-72.5-16.7171.759.30000115.1K19 Y24 L25K19-S21 PolarHBondContact O-N 3.49Å; S21-Y24 WeakPolarHBondContact O-CD1 3.42Å; S21-Y24 WeakPolarHBondContact O-CE1 3.33Å; S21-L25 WeakPolarHBondContact O-CG 3.09Å
22E72.3Confident66.7Low81 Ų8171 Ų7138%0.37936%0.357SS..Hα-helixtrans-88.9-26.7-179.3-65.5-172.9-145.600112.1F18 K19 S20 L25 Y26F18-E22 HydrophobicContact CB-CB 4.41Å; F18-E22 VanDerWaalsContact CD1-OE1 3.24Å; F18-E22 WeakPolarHBondContact CD1-OE1 3.33Å; F18-E22 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E22 WeakPolarHBondContact CE1-OE2 3.47Å; F18-E22 VanDerWaalsContact CG-OE2 3.31Å; F18-E22 WeakPolarHBondContact CG-OE2 3.36Å; K19-E22 PolarHBondContact O-N 2.88Å; S20-E22 VanDerWaalsContact C-N 3.32Å; E22-L25 PolarHBondContact O-N 2.97Å; E22-Y26 WeakPolarHBondContact O-CB 3.37Å; E22-Y26 PolarHBondContact O-N 3.5Å
23E80.3Confident70Confident74 Ų7466.8 Ų66.835%0.34633%0.328SS..Hα-helixtrans-70.4-43.2-178.4-167.1178.8-165.400112.3L25 Y26 A27 T264E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.34Å; E23-Y26 WeakPolarHBondContact O-CB 3.4Å; E23-Y26 PolarHBondContact O-N 3.14Å; E23-A27 PolarHBondContact O-N 3.08Å; E23-T264 HydrophobicContact CG-CG2 4.22Å
24Y85.2Confident72.9Confident26 Ų2661.3 Ų61.310%0.10231%0.305CS..Hα-helixtrans-65.3-36.2175.287-93.2000111.6S21 Y26 A27 M28 K140S21-Y24 WeakPolarHBondContact O-CD1 3.42Å; S21-Y24 WeakPolarHBondContact O-CE1 3.33Å; Y24-Y26 VanDerWaalsContact C-N 3.33Å; Y24-A27 PolarHBondContact O-N 2.57Å; Y24-M28 HydrophobicContact CD2-CE 4.11Å; Y24-M28 HydrophobicContact CD2-SD 3.97Å; Y24-M28 HydrophobicContact CE2-CE 4.45Å; Y24-M28 HydrophobicContact CE2-SD 4.15Å; Y24-M28 WeakPolarHBondContact O-CG 3.16Å; Y24-M28 PolarHBondContact O-N 3.37Å; Y24-M28 VanDerWaalsContact O-N 3.1Å; Y24-K140 VanDerWaalsContact OH-CD 3.29Å; Y24-K140 WeakPolarHBondContact OH-CD 3.44Å; Y24-K140 VanDerWaalsContact OH-CE 3.29Å; Y24-K140 WeakPolarHBondContact OH-CE 3.31Å
25L90.6Very high76Confident24 Ų2457.7 Ų57.713%0.12628%0.278CS..Hα-helixtrans-66.7-38.3174.9-70.6176.3000111.2S21 E22 E23 M28 K29 K140 I143S21-L25 WeakPolarHBondContact O-CG 3.09Å; E22-L25 PolarHBondContact O-N 2.97Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 PolarHBondContact O-N 3.34Å; L25-M28 PolarHBondContact O-N 3.29Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 2.77Å; L25-K140 HydrophobicContact CD1-CB 4.13Å; L25-K140 HydrophobicContact CD2-CB 3.9Å; L25-K140 HydrophobicContact CD2-CG 3.97Å; L25-I143 HydrophobicContact CB-CD1 4.33Å; L25-I143 HydrophobicContact CD2-CD1 4Å
26Y92.9Very high78.9Confident81 Ų8150 Ų5032%0.31824%0.239SC..Hα-helixtrans-61.4-47175.1-172.3-82.5000111.3E22 E23 Y24 M28 K29 E30 A46E22-Y26 WeakPolarHBondContact O-CB 3.37Å; E22-Y26 PolarHBondContact O-N 3.5Å; E23-Y26 WeakPolarHBondContact O-CB 3.4Å; E23-Y26 PolarHBondContact O-N 3.14Å; Y24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 2.8Å; Y26-K29 PolarHBondContact O-N 3.03Å; Y26-K29 VanDerWaalsContact O-N 3.12Å; Y26-E30 PolarHBondContact O-N 3.24Å; Y26-A46 HydrophobicContact CD1-CB 4.31Å; Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CE1-CB 3.87Å; Y26-A46 HydrophobicContact CE2-CB 3.61Å; Y26-A46 HydrophobicContact CG-CB 4.39Å
27A92.4Very high81.8Confident0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-57.5-43.2176.300000112.2E23 Y24 E30 D31 L250 H253 M255E23-A27 PolarHBondContact O-N 3.08Å; Y24-A27 PolarHBondContact O-N 2.57Å; A27-E30 PolarHBondContact O-N 2.86Å; A27-D31 PolarHBondContact O-N 3.49Å; A27-D31 VanDerWaalsContact O-N 3.1Å; A27-L250 HydrophobicContact CB-CD2 4.29Å; A27-H253 HydrophobicContact CB-CB 4.02Å; A27-H253 VanDerWaalsContact CB-CD2 3.42Å; A27-H253 WeakPolarHBondContact CB-CD2 3.37Å; A27-H253 VanDerWaalsContact CB-CG 3.47Å; A27-M255 HydrophobicContact CB-SD 4.13Å
28M94.7Very high84.5Confident8 Ų844.7 Ų44.74%0.03922%0.215CC..Hα-helixtrans-64.4-41.6175-70.2177.1168.600112.4Y24 L25 Y26 E30 L32 I143 L144 L147 L163 W262Y24-M28 HydrophobicContact CD2-CE 4.11Å; Y24-M28 HydrophobicContact CD2-SD 3.97Å; Y24-M28 HydrophobicContact CE2-CE 4.45Å; Y24-M28 HydrophobicContact CE2-SD 4.15Å; Y24-M28 WeakPolarHBondContact O-CG 3.16Å; Y24-M28 PolarHBondContact O-N 3.37Å; Y24-M28 VanDerWaalsContact O-N 3.1Å; L25-M28 PolarHBondContact O-N 3.29Å; Y26-M28 VanDerWaalsContact C-N 3.31Å; Y26-M28 PolarHBondContact O-N 2.8Å; M28-E30 VanDerWaalsContact C-N 3.34Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 VanDerWaalsContact O-CG 3.3Å; M28-L32 WeakPolarHBondContact O-CG 3.38Å; M28-L32 PolarHBondContact O-N 2.97Å; M28-I143 HydrophobicContact CB-CG2 3.6Å; M28-I143 HydrophobicContact CG-CG2 4.39Å; M28-I143 HydrophobicContact SD-CG2 4.02Å; M28-L144 HydrophobicContact CE-CD2 4.47Å; M28-L144 HydrophobicContact SD-CD2 4.35Å; M28-L147 HydrophobicContact CB-CD1 4.42Å; M28-L147 HydrophobicContact CE-CD1 4.19Å; M28-L147 HydrophobicContact CG-CD1 4.11Å; M28-L147 HydrophobicContact SD-CD1 3.87Å; M28-L163 HydrophobicContact CE-CD2 3.96Å; M28-L163 HydrophobicContact CG-CD2 3.9Å; M28-W262 HydrophobicContact CE-CB 4.18Å
29K96.3Very high87.4Confident27 Ų2741.2 Ų41.212%0.11720%0.202CC..Hα-helixtrans-63-40.7175.3-75.6-170.2-69.8-171.40111.7L25 Y26 L32 A33 A46 F49 M50 E139 I143L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 2.77Å; Y26-K29 PolarHBondContact O-N 3.03Å; Y26-K29 VanDerWaalsContact O-N 3.12Å; K29-L32 PolarHBondContact O-N 3.36Å; K29-A33 VanDerWaalsContact O-CB 3.24Å; K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.24Å; K29-A46 HydrophobicContact CB-CB 4.1Å; K29-F49 HydrophobicContact CB-CB 4.4Å; K29-F49 HydrophobicContact CB-CD1 4.31Å; K29-F49 HydrophobicContact CB-CG 4.27Å; K29-F49 HydrophobicContact CD-CB 4.19Å; K29-F49 HydrophobicContact CD-CD1 3.95Å; K29-F49 HydrophobicContact CD-CG 4.37Å; K29-F49 HydrophobicContact CG-CB 4.47Å; K29-F49 HydrophobicContact CG-CD1 3.79Å; K29-F49 HydrophobicContact CG-CE1 4.31Å; K29-F49 HydrophobicContact CG-CG 4.22Å; K29-M50 HydrophobicContact CD-CG 4.43Å; K29-E139 IonicContact NZ-OE2 2.73Å; K29-E139 PolarHBondContact NZ-OE2 3.25Å; K29-I143 HydrophobicContact CD-CD1 3.91Å; K29-I143 HydrophobicContact CG-CD1 3.52Å; K29-I143 HydrophobicContact CG-CG1 3.95Å
30E95.8Very high89.6Confident39 Ų3938.8 Ų38.818%0.18219%0.19CC..Hα-helixtrans-63.8-45.4179.1-163.8-175.7-126.500111.8Y26 A27 M28 A33 E34 A46 R251 H253Y26-E30 PolarHBondContact O-N 3.24Å; A27-E30 PolarHBondContact O-N 2.86Å; M28-E30 VanDerWaalsContact C-N 3.34Å; E30-A33 PolarHBondContact O-N 3.4Å; E30-E34 PolarHBondContact O-N 3.14Å; E30-E34 VanDerWaalsContact O-N 3.07Å; E30-A46 HydrophobicContact CB-CB 4.05Å; E30-R251 VanDerWaalsContact CD-NE 3.3Å; E30-R251 WeakPolarHBondContact OE2-CD 3.42Å; E30-R251 IonicContact OE2-NE 2.73Å; E30-R251 PolarHBondContact OE2-NE 3.16Å; E30-H253 IonicContact OE2-CD2 2.66Å; E30-H253 IonicContact OE2-NE2 2.99Å
31D96.4Very high91.4Very high6 Ų644.5 Ų44.53%0.03222%0.219CC..Hα-helixtrans-63.1-45.1176.4-172.945.2000111.9A27 A33 E34 W35 P161 M162 L163 L250A27-D31 PolarHBondContact O-N 3.49Å; A27-D31 VanDerWaalsContact O-N 3.1Å; D31-A33 VanDerWaalsContact C-N 3.34Å; D31-A33 PolarHBondContact O-N 3.23Å; D31-E34 PolarHBondContact O-N 3.03Å; D31-W35 WeakPolarHBondContact O-CB 3.23Å; D31-W35 PolarHBondContact O-N 3.37Å; D31-P161 WeakPolarHBondContact OD2-CB 3.41Å; D31-M162 VanDerWaalsContact OD1-CB 3.23Å; D31-M162 WeakPolarHBondContact OD1-CB 3.36Å; D31-M162 PolarHBondContact OD1-N 3.48Å; D31-M162 PolarHBondContact OD2-N 3.43Å; D31-M162 VanDerWaalsContact OD2-N 3.14Å; D31-L163 VanDerWaalsContact OD2-CB 3.27Å; D31-L163 WeakPolarHBondContact OD2-CB 3.27Å; D31-L163 PolarHBondContact OD2-N 3.41Å; D31-L250 HydrophobicContact CB-CD1 4.34Å; D31-L250 HydrophobicContact CB-CD2 4.24Å
32L97.8Very high93Very high0 Ų043.3 Ų43.30%021%0.208CC..Hα-helixtrans-64.2-36.9176-73.4168.7000112.8M28 K29 W35 L36 F49 I143 L146 L147 P161M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 VanDerWaalsContact O-CG 3.3Å; M28-L32 WeakPolarHBondContact O-CG 3.38Å; M28-L32 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 3.36Å; L32-W35 HydrophobicContact CD2-CE3 3.88Å; L32-W35 HydrophobicContact CD2-CZ3 4.16Å; L32-W35 PolarHBondContact O-N 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 3.35Å; L32-F49 HydrophobicContact CB-CE2 3.62Å; L32-F49 HydrophobicContact CB-CZ 3.63Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CZ 3.92Å; L32-F49 HydrophobicContact CG-CZ 4.42Å; L32-I143 HydrophobicContact CD1-CG2 3.92Å; L32-L146 HydrophobicContact CD1-CB 4.46Å; L32-L146 HydrophobicContact CD1-CD2 4.24Å; L32-L146 HydrophobicContact CD2-CD2 4.17Å; L32-L146 HydrophobicContact CD2-CG 4.16Å; L32-L147 HydrophobicContact CD1-CD2 4.46Å; L32-L147 HydrophobicContact CD1-CG 4.23Å; L32-L147 HydrophobicContact CD2-CD2 3.91Å; L32-L147 HydrophobicContact CD2-CG 4.3Å; L32-L147 HydrophobicContact CG-CD2 4.16Å; L32-L147 HydrophobicContact CG-CG 4.46Å; L32-P161 HydrophobicContact CD2-CG 4.03Å
33A97.4Very high94Very high3 Ų346.4 Ų46.43%0.02523%0.227CC..Hα-helixtrans-63.8-46.6176.700000111.1K29 E30 D31 W35 L36 K37 V44 F49K29-A33 VanDerWaalsContact O-CB 3.24Å; K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.24Å; E30-A33 PolarHBondContact O-N 3.4Å; D31-A33 VanDerWaalsContact C-N 3.34Å; D31-A33 PolarHBondContact O-N 3.23Å; A33-W35 VanDerWaalsContact C-N 3.32Å; A33-W35 PolarHBondContact O-N 3.37Å; A33-L36 PolarHBondContact O-N 3.18Å; A33-K37 WeakPolarHBondContact O-CB 2.88Å; A33-K37 PolarHBondContact O-N 2.88Å; A33-V44 HydrophobicContact CB-CB 4.48Å; A33-V44 HydrophobicContact CB-CG1 4.14Å; A33-F49 HydrophobicContact CB-CD2 4.02Å
34E96Very high94.7Very high66 Ų6643.4 Ų43.431%0.30821%0.214SC..Hα-helixtrans-63-39.5175.1-168.874.1-122.700112.1E30 D31 K37 T38 R251E30-E34 PolarHBondContact O-N 3.14Å; E30-E34 VanDerWaalsContact O-N 3.07Å; D31-E34 PolarHBondContact O-N 3.03Å; E34-K37 WeakPolarHBondContact O-CB 3.4Å; E34-K37 PolarHBondContact O-N 3Å; E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 PolarHBondContact O-N 2.98Å; E34-T38 PolarHBondContact O-OG1 2.84Å; E34-R251 IonicContact OE2-CZ 3.26Å; E34-R251 IonicContact OE2-NH1 2.73Å; E34-R251 PolarHBondContact OE2-NH1 2.9Å; E34-R251 IonicContact OE2-NH2 2.89Å; E34-R251 PolarHBondContact OE2-NH2 3.12Å
35W96.8Very high95.2Very high9 Ų945.3 Ų45.33%0.03423%0.228CC..Hα-helixtrans-61.1-47.9177.2172.364.6000111.9D31 L32 A33 K37 T38 L39 H62 L146 A150 L159 P161D31-W35 WeakPolarHBondContact O-CB 3.23Å; D31-W35 PolarHBondContact O-N 3.37Å; L32-W35 HydrophobicContact CD2-CE3 3.88Å; L32-W35 HydrophobicContact CD2-CZ3 4.16Å; L32-W35 PolarHBondContact O-N 3.17Å; A33-W35 VanDerWaalsContact C-N 3.32Å; A33-W35 PolarHBondContact O-N 3.37Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å; W35-T38 PolarHBondContact O-N 3.04Å; W35-L39 HydrophobicContact CD2-CD1 4.07Å; W35-L39 HydrophobicContact CG-CD1 4.44Å; W35-L39 HydrophobicContact CH2-CD1 4.49Å; W35-L39 HydrophobicContact CZ2-CD1 3.63Å; W35-L39 VanDerWaalsContact NE1-CD1 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.29Å; W35-L39 PolarHBondContact O-N 3.08Å; W35-H62 AromaticContact CH2-CE1 3.21Å; W35-H62 WeakPolarHBondContact CH2-CE1 3.38Å; W35-H62 AromaticContact CH2-NE2 3.37Å; W35-H62 WeakPolarHBondContact CH2-NE2 3.4Å; W35-H62 AromaticContact CZ2-CE1 3.41Å; W35-H62 VanDerWaalsContact CZ2-CE1 3.41Å; W35-H62 WeakPolarHBondContact CZ2-CE1 3.27Å; W35-H62 AromaticContact CZ2-NE2 3.91Å; W35-L146 HydrophobicContact CZ3-CD1 4.37Å; W35-L146 HydrophobicContact CZ3-CG 4.23Å; W35-A150 HydrophobicContact CH2-CB 3.57Å; W35-A150 HydrophobicContact CZ2-CB 3.6Å; W35-A150 HydrophobicContact CZ3-CB 4.14Å; W35-L159 PolarHBondContact NE1-O 3.28Å; W35-P161 HydrophobicContact CB-CB 4.16Å; W35-P161 HydrophobicContact CB-CG 4.03Å; W35-P161 HydrophobicContact CD2-CG 3.68Å; W35-P161 HydrophobicContact CE3-CG 4.1Å; W35-P161 HydrophobicContact CG-CB 4.23Å; W35-P161 HydrophobicContact CG-CG 3.64Å
36L97.1Very high95.3Very high5 Ų544.3 Ų44.33%0.02622%0.224CC..Hα-helixtrans-65.4-37.6176.3-69.9176.7000112.3L32 A33 L39 Y40 F49 L53L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 3.35Å; A33-L36 PolarHBondContact O-N 3.18Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-Y40 HydrophobicContact CD2-CD2 3.98Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.97Å; L36-F49 HydrophobicContact CD1-CE2 4Å; L36-L53 HydrophobicContact CD1-CD1 3.93Å; L36-L53 HydrophobicContact CD1-CD2 3.98Å
37K95.6Very high95.4Very high89 Ų8946.1 Ų46.139%0.38724%0.239SC..Hα-helixtrans-59.6-46.4172.5-177176.9-179.7176.80111.4A33 E34 W35 L39 D41 L42A33-K37 WeakPolarHBondContact O-CB 2.88Å; A33-K37 PolarHBondContact O-N 2.88Å; E34-K37 WeakPolarHBondContact O-CB 3.4Å; E34-K37 PolarHBondContact O-N 3Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å; K37-L39 PolarHBondContact O-N 3.2Å; K37-D41 WeakPolarHBondContact O-CA 3.44Å; K37-D41 PolarHBondContact O-N 2.81Å; K37-L42 WeakPolarHBondContact CA-O 3.38Å; K37-L42 WeakPolarHBondContact CB-O 3.41Å
38T95.6Very high95.5Very high85 Ų8548.9 Ų48.952%0.52126%0.256SS..Hα-helixtrans-65.4-39179.6-57.40000112.3E34 W35 L159E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 PolarHBondContact O-N 2.98Å; E34-T38 PolarHBondContact O-OG1 2.84Å; W35-T38 PolarHBondContact O-N 3.04Å; T38-L159 HydrophobicContact CG2-CD2 3.48Å; T38-L159 VanDerWaalsContact CG2-CD2 3.48Å
39L94.8Very high95.7Very high50 Ų5048.5 Ų48.526%0.26225%0.254SS..Hα-helixtrans-76.7-33.6-178.8-74.6-178.4000113.7W35 L36 K37 M158 L159W35-L39 HydrophobicContact CD2-CD1 4.07Å; W35-L39 HydrophobicContact CG-CD1 4.44Å; W35-L39 HydrophobicContact CH2-CD1 4.49Å; W35-L39 HydrophobicContact CZ2-CD1 3.63Å; W35-L39 VanDerWaalsContact NE1-CD1 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.29Å; W35-L39 PolarHBondContact O-N 3.08Å; L36-L39 PolarHBondContact O-N 2.81Å; K37-L39 PolarHBondContact O-N 3.2Å; L39-M158 HydrophobicContact CD1-CE 4.22Å; L39-L159 HydrophobicContact CD2-CB 4.08Å
40Y95.6Very high95.7Very high66 Ų6647.5 Ų47.526%0.25925%0.25SC..Hα-helixtrans-1382.8-163.1-57-57000114.9L36 L42 H62 T65L36-Y40 HydrophobicContact CD2-CD2 3.98Å; L36-Y40 HydrophobicContact CD2-CE2 3.94Å; L36-Y40 WeakPolarHBondContact O-CB 3.4Å; L36-Y40 PolarHBondContact O-N 2.97Å; Y40-L42 HydrophobicContact CD2-CD1 4.37Å; Y40-L42 HydrophobicContact CG-CD1 4.12Å; Y40-L42 PolarHBondContact O-N 3.33Å; Y40-H62 HydrophobicContact CE2-CB 4.13Å; Y40-H62 AromaticContact CE2-ND1 3.42Å; Y40-H62 WeakPolarHBondContact CE2-ND1 3.25Å; Y40-H62 AromaticContact CZ-ND1 3.47Å; Y40-H62 PolarHBondContact OH-ND1 3.35Å; Y40-T65 HydrophobicContact CE1-CG2 4.16Å
41D94.8Very high95.7Very high140 Ų14049.8 Ų49.875%0.74926%0.263SS*.  trans55.136.3-173.5-159.135.6000112.9K37K37-D41 WeakPolarHBondContact O-CA 3.44Å; K37-D41 PolarHBondContact O-N 2.81Å
42L93.8Very high95.7Very high31 Ų3151.3 Ų51.316%0.16228%0.277CS..  trans-75.9121.3174.6-99.684000110.3K37 Y40 V44 A58K37-L42 WeakPolarHBondContact CA-O 3.38Å; K37-L42 WeakPolarHBondContact CB-O 3.41Å; Y40-L42 HydrophobicContact CD2-CD1 4.37Å; Y40-L42 HydrophobicContact CG-CD1 4.12Å; Y40-L42 PolarHBondContact O-N 3.33Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 HydrophobicContact CB-CG2 3.96Å; L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 4.48Å; L42-V44 PolarHBondContact O-N 2.77Å; L42-A58 HydrophobicContact CD2-CB 3.94Å
43D93.8Very high95.7Very high145 Ų14551.3 Ų51.378%0.77528%0.277SS*.  trans-79.682.1173.6-169.525.4000110.7
44V94.6Very high95.6Very high12 Ų1252.6 Ų52.67%0.07328%0.282CS..  trans-129142.5-175.5-177.50000109.6A33 L42 F49 A52A33-V44 HydrophobicContact CB-CB 4.48Å; A33-V44 HydrophobicContact CB-CG1 4.14Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 HydrophobicContact CB-CG2 3.96Å; L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 4.48Å; L42-V44 PolarHBondContact O-N 2.77Å; V44-F49 HydrophobicContact CG1-CB 4.26Å; V44-F49 HydrophobicContact CG1-CD2 3.87Å; V44-A52 HydrophobicContact CB-CB 4.35Å; V44-A52 HydrophobicContact CG1-CB 3.95Å; V44-A52 HydrophobicContact CG2-CB 3.44Å; V44-A52 VanDerWaalsContact CG2-CB 3.44Å
45T95.6Very high95.7Very high65 Ų6550.8 Ų50.840%0.39928%0.276SS..  trans-123.3168.5176660000109.5D47 T48 F49T45-D47 PolarHBondContact O-N 2.89Å; T45-T48 PolarHBondContact N-OG1 2.89Å; T45-T48 CarbonylContact O-C 3.55Å; T45-T48 PolarHBondContact O-N 2.73Å; T45-T48 PolarHBondContact OG1-N 3.26Å; T45-T48 PolarHBondContact OG1-OG1 2.86Å; T45-F49 WeakPolarHBondContact O-CA 3.24Å; T45-F49 VanDerWaalsContact O-CB 3.3Å; T45-F49 WeakPolarHBondContact O-CB 3.04Å; T45-F49 PolarHBondContact O-N 2.73Å
46A94.3Very high95.7Very high3 Ų350.4 Ų50.43%0.02527%0.274CS..THydrogen-bonded Turntrans-57.9-32.9176.200000113.2Y26 K29 E30Y26-A46 HydrophobicContact CD1-CB 4.31Å; Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CE1-CB 3.87Å; Y26-A46 HydrophobicContact CE2-CB 3.61Å; Y26-A46 HydrophobicContact CG-CB 4.39Å; K29-A46 HydrophobicContact CB-CB 4.1Å; E30-A46 HydrophobicContact CB-CB 4.05Å
47D93.9Very high95.8Very high120 Ų12050.8 Ų50.864%0.64228%0.277SS*.THydrogen-bonded Turntrans-73.9-40.8177.8-67.4-48.4000112.4T45T45-D47 PolarHBondContact O-N 2.89Å
48T95.7Very high95.9Very high58 Ų5847 Ų4736%0.35626%0.263SS..THydrogen-bonded Turntrans-92.11-178.7600000113.5T45 M50 D51 A52T45-T48 PolarHBondContact N-OG1 2.89Å; T45-T48 CarbonylContact O-C 3.55Å; T45-T48 PolarHBondContact O-N 2.73Å; T45-T48 PolarHBondContact OG1-N 3.26Å; T45-T48 PolarHBondContact OG1-OG1 2.86Å; T48-M50 PolarHBondContact O-N 3.33Å; T48-D51 PolarHBondContact O-N 3.13Å; T48-A52 WeakPolarHBondContact O-CB 3.34Å; T48-A52 PolarHBondContact O-N 3.37Å
49F96.9Very high96Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-55.1-49.5-170.5-175.1-104.8000113.1K29 L32 A33 L36 V44 T45 L53 F142 L146K29-F49 HydrophobicContact CB-CB 4.4Å; K29-F49 HydrophobicContact CB-CD1 4.31Å; K29-F49 HydrophobicContact CB-CG 4.27Å; K29-F49 HydrophobicContact CD-CB 4.19Å; K29-F49 HydrophobicContact CD-CD1 3.95Å; K29-F49 HydrophobicContact CD-CG 4.37Å; K29-F49 HydrophobicContact CG-CB 4.47Å; K29-F49 HydrophobicContact CG-CD1 3.79Å; K29-F49 HydrophobicContact CG-CE1 4.31Å; K29-F49 HydrophobicContact CG-CG 4.22Å; L32-F49 HydrophobicContact CB-CE2 3.62Å; L32-F49 HydrophobicContact CB-CZ 3.63Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CZ 3.92Å; L32-F49 HydrophobicContact CG-CZ 4.42Å; A33-F49 HydrophobicContact CB-CD2 4.02Å; L36-F49 HydrophobicContact CD1-CE2 4Å; V44-F49 HydrophobicContact CG1-CB 4.26Å; V44-F49 HydrophobicContact CG1-CD2 3.87Å; T45-F49 WeakPolarHBondContact O-CA 3.24Å; T45-F49 VanDerWaalsContact O-CB 3.3Å; T45-F49 WeakPolarHBondContact O-CB 3.04Å; T45-F49 PolarHBondContact O-N 2.73Å; F49-L53 HydrophobicContact CD1-CD1 4.34Å; F49-L53 HydrophobicContact CD2-CD1 4.23Å; F49-L53 HydrophobicContact CE1-CD1 3.87Å; F49-L53 HydrophobicContact CE2-CD1 3.74Å; F49-L53 HydrophobicContact CZ-CD1 3.53Å; F49-L53 WeakPolarHBondContact O-CG 3.35Å; F49-L53 PolarHBondContact O-N 3.21Å; F49-F142 HydrophobicContact CD1-CE1 4.41Å; F49-F142 HydrophobicContact CE1-CD1 4.3Å; F49-F142 AromaticContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CZ-CE1 4.43Å; F49-L146 HydrophobicContact CZ-CD2 3.81Å
50M96.8Very high96.2Very high5 Ų540.7 Ų40.73%0.02523%0.226CC..Hα-helixtrans-69.3-41.6-176.6-63.2-60.9-6600110.4K29 T48 L53 E54 L133 R136 E139 F142K29-M50 HydrophobicContact CD-CG 4.43Å; T48-M50 PolarHBondContact O-N 3.33Å; M50-L53 PolarHBondContact O-N 3.48Å; M50-E54 PolarHBondContact O-N 2.95Å; M50-E54 VanDerWaalsContact O-N 3.11Å; M50-L133 HydrophobicContact CE-CD1 3.69Å; M50-L133 HydrophobicContact SD-CD1 4.43Å; M50-R136 VanDerWaalsContact CB-NH1 3.32Å; M50-R136 PolarHBondContact O-NH1 3.37Å; M50-R136 PolarHBondContact O-NH2 3.15Å; M50-R136 VanDerWaalsContact O-NH2 3.16Å; M50-E139 HydrophobicContact CE-CB 4.02Å; M50-E139 HydrophobicContact CE-CG 3.92Å; M50-E139 HydrophobicContact CG-CG 4.36Å; M50-E139 HydrophobicContact SD-CB 4.23Å; M50-E139 HydrophobicContact SD-CG 4.36Å; M50-F142 HydrophobicContact CE-CD1 3.74Å; M50-F142 HydrophobicContact CE-CE1 4.37Å; M50-F142 HydrophobicContact CE-CG 4.41Å; M50-F142 HydrophobicContact SD-CD1 3.59Å; M50-F142 VanDerWaalsContact SD-CD1 3.59Å; M50-F142 HydrophobicContact SD-CE1 3.93Å
51D96.1Very high96.3Very high87 Ų8743.9 Ų43.947%0.46524%0.237SC..Hα-helixtrans-64.9-42.2179.7-60.4-21.8000111.4T48 L53 E54 R136T48-D51 PolarHBondContact O-N 3.13Å; D51-L53 PolarHBondContact O-N 3.28Å; D51-E54 WeakPolarHBondContact O-CG 3.31Å; D51-E54 PolarHBondContact O-N 2.83Å; D51-R136 IonicContact OD1-CZ 2.84Å; D51-R136 IonicContact OD1-NE 2.73Å; D51-R136 IonicContact OD1-NH2 3.15Å; D51-R136 PolarHBondContact OD1-NH2 3.49Å
52A96.1Very high96.5Very high38 Ų3837.2 Ų37.231%0.31420%0.202SC..Hα-helixtrans-63.7-27.6179.600000113.4V44 T48V44-A52 HydrophobicContact CB-CB 4.35Å; V44-A52 HydrophobicContact CG1-CB 3.95Å; V44-A52 HydrophobicContact CG2-CB 3.44Å; V44-A52 VanDerWaalsContact CG2-CB 3.44Å; T48-A52 WeakPolarHBondContact O-CB 3.34Å; T48-A52 PolarHBondContact O-N 3.37Å
53L97.4Very high96.7Very high1 Ų135.8 Ų35.81%0.00519%0.194CC..Hα-helixtrans-102.5-11.5-173.6-61.2178.5000113.7L36 F49 M50 D51 T55 G56 A58 L59 L133 F142 L146L36-L53 HydrophobicContact CD1-CD1 3.93Å; L36-L53 HydrophobicContact CD1-CD2 3.98Å; F49-L53 HydrophobicContact CD1-CD1 4.34Å; F49-L53 HydrophobicContact CD2-CD1 4.23Å; F49-L53 HydrophobicContact CE1-CD1 3.87Å; F49-L53 HydrophobicContact CE2-CD1 3.74Å; F49-L53 HydrophobicContact CZ-CD1 3.53Å; F49-L53 WeakPolarHBondContact O-CG 3.35Å; F49-L53 PolarHBondContact O-N 3.21Å; M50-L53 PolarHBondContact O-N 3.48Å; D51-L53 PolarHBondContact O-N 3.28Å; L53-T55 PolarHBondContact O-N 2.99Å; L53-T55 VanDerWaalsContact O-N 3.1Å; L53-G56 PolarHBondContact O-N 3.38Å; L53-A58 HydrophobicContact CD2-CB 3.61Å; L53-L59 HydrophobicContact CD1-CD2 4.39Å; L53-L59 HydrophobicContact CD2-CD2 4.32Å; L53-L133 HydrophobicContact CB-CD1 4.39Å; L53-F142 HydrophobicContact CB-CZ 4.18Å; L53-F142 HydrophobicContact CD1-CE1 3.95Å; L53-F142 HydrophobicContact CD1-CZ 3.8Å; L53-L146 HydrophobicContact CD1-CD2 4.43Å
54E96.9Very high96.9Very high30 Ų3030.1 Ų30.114%0.1416%0.164CC..THydrogen-bonded Turntrans-65.6-18.8-170.677.1-166.515600115.1M50 D51 G56 P100 R136M50-E54 PolarHBondContact O-N 2.95Å; M50-E54 VanDerWaalsContact O-N 3.11Å; D51-E54 WeakPolarHBondContact O-CG 3.31Å; D51-E54 PolarHBondContact O-N 2.83Å; E54-G56 PolarHBondContact O-N 3.3Å; E54-P100 HydrophobicContact CG-CB 3.92Å; E54-P100 HydrophobicContact CG-CG 4.23Å; E54-P100 WeakPolarHBondContact OE1-CB 3.34Å; E54-P100 WeakPolarHBondContact OE1-CG 3.41Å; E54-R136 IonicContact OE2-CZ 3.48Å; E54-R136 IonicContact OE2-NH1 3.02Å; E54-R136 IonicContact OE2-NH2 2.82Å; E54-R136 PolarHBondContact OE2-NH2 2.99Å
55T97.4Very high97.1Very high28 Ų2831 Ų3117%0.17217%0.169CC..THydrogen-bonded Turntrans-74.3-11.1173.262.70000113.2L53 C57 V98 P100 N108L53-T55 PolarHBondContact O-N 2.99Å; L53-T55 VanDerWaalsContact O-N 3.1Å; T55-C57 PolarHBondContact O-N 3.48Å; T55-V98 HydrophobicContact CG2-CG1 4.39Å; T55-P100 HydrophobicContact CG2-CG 4.04Å; T55-N108 PolarHBondContact O-ND2 2.84Å; T55-N108 VanDerWaalsContact O-ND2 3.09Å
56G97.9Very high97.2Very high0 Ų027.9 Ų27.90%015%0.15CC..SBendtrans69.2-9.9-174.500000114.8L53 E54 A58 L59 C60L53-G56 PolarHBondContact O-N 3.38Å; E54-G56 PolarHBondContact O-N 3.3Å; G56-A58 PolarHBondContact O-N 2.87Å; G56-L59 WeakPolarHBondContact O-CB 3.35Å; G56-L59 PolarHBondContact O-N 2.81Å; G56-C60 PolarHBondContact O-N 2.07Å; G56-C60 PolarHBondContact O-SG 3.25Å
57C97.8Very high97.4Very high13 Ų1327.7 Ų27.79%0.08815%0.149CC..Hα-helixtrans-63.9-44.3-173.3-67.20000112.4T55 L59 R61 F93 Q94 N108T55-C57 PolarHBondContact O-N 3.48Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 3.05Å; C57-R61 WeakPolarHBondContact O-CB 3.46Å; C57-R61 WeakPolarHBondContact O-CG 3.13Å; C57-R61 PolarHBondContact O-N 3.11Å; C57-R61 VanDerWaalsContact O-N 3.08Å; C57-F93 HydrophobicContact CB-CE2 4.31Å; C57-Q94 PolarHBondContact SG-O 2.9Å; C57-Q94 VanDerWaalsContact SG-O 3.33Å; C57-N108 PolarHBondContact SG-ND2 3.12Å
58A97.8Very high97.5Very high10 Ų1027.6 Ų27.68%0.08314%0.14CC..Hα-helixtrans-64.2-37.9176.800000111.8L42 L53 G56 R61 H62L42-A58 HydrophobicContact CD2-CB 3.94Å; L53-A58 HydrophobicContact CD2-CB 3.61Å; G56-A58 PolarHBondContact O-N 2.87Å; A58-R61 PolarHBondContact O-N 2.8Å; A58-H62 WeakPolarHBondContact O-CB 3.42Å; A58-H62 PolarHBondContact O-N 2.84Å
59L98.4Very high97.5Very high3 Ų325.5 Ų25.52%0.01613%0.128CC..Hα-helixtrans-65.8-48.1179.1-57.3178.3000111.7L53 G56 C57 R61 H62 A63 F112 L133 F142 L146L53-L59 HydrophobicContact CD1-CD2 4.39Å; L53-L59 HydrophobicContact CD2-CD2 4.32Å; G56-L59 WeakPolarHBondContact O-CB 3.35Å; G56-L59 PolarHBondContact O-N 2.81Å; C57-L59 VanDerWaalsContact C-N 3.31Å; C57-L59 PolarHBondContact O-N 3.05Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 2.95Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 3.42Å; L59-H62 VanDerWaalsContact O-N 3.17Å; L59-A63 PolarHBondContact O-N 2.92Å; L59-F112 HydrophobicContact CB-CB 4.29Å; L59-F112 HydrophobicContact CB-CD1 3.96Å; L59-F112 HydrophobicContact CB-CD2 3.73Å; L59-F112 HydrophobicContact CB-CE1 4.16Å; L59-F112 HydrophobicContact CB-CE2 3.96Å; L59-F112 HydrophobicContact CB-CG 3.72Å; L59-F112 HydrophobicContact CB-CZ 4.16Å; L59-F112 HydrophobicContact CD1-CD1 4.04Å; L59-F112 HydrophobicContact CD1-CE1 4.24Å; L59-F112 HydrophobicContact CD2-CE1 4.4Å; L59-F112 HydrophobicContact CD2-CZ 4.41Å; L59-F112 WeakPolarHBondContact O-CD2 3.48Å; L59-F112 WeakPolarHBondContact O-CE2 3.41Å; L59-L133 HydrophobicContact CD1-CD2 3.64Å; L59-F142 HydrophobicContact CD1-CE2 3.75Å; L59-F142 HydrophobicContact CD1-CZ 4.09Å; L59-F142 HydrophobicContact CD2-CE2 4.18Å; L59-F142 HydrophobicContact CD2-CZ 4.04Å; L59-L146 HydrophobicContact CD2-CD1 4.24Å
60C98.6Very high97.5Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-64.8-37.1177.2-57.50000112.2G56 H62 A63 N64 V91 F93 N108G56-C60 PolarHBondContact O-N 2.07Å; G56-C60 PolarHBondContact O-SG 3.25Å; C60-H62 VanDerWaalsContact C-N 3.34Å; C60-A63 PolarHBondContact O-N 2.78Å; C60-N64 PolarHBondContact O-N 2.84Å; C60-N64 VanDerWaalsContact O-N 3.12Å; C60-V91 HydrophobicContact CB-CB 4.35Å; C60-V91 HydrophobicContact CB-CG1 4.01Å; C60-F93 HydrophobicContact CB-CB 3.63Å; C60-F93 HydrophobicContact CB-CD1 3.34Å; C60-F93 HydrophobicContact CB-CD2 3.83Å; C60-F93 HydrophobicContact CB-CE1 3.91Å; C60-F93 HydrophobicContact CB-CE2 4.33Å; C60-F93 HydrophobicContact CB-CG 3.31Å; C60-F93 HydrophobicContact CB-CZ 4.38Å; C60-N108 PolarHBondContact SG-O 3.47Å
61R98.1Very high97.4Very high132 Ų13230 Ų3050%0.49815%0.149SC..Hα-helixtrans-63.1-40.4172.3-75.6-173.4-62.4-159.13.6112.4C57 A58 L59 T65 F93C57-R61 WeakPolarHBondContact O-CB 3.46Å; C57-R61 WeakPolarHBondContact O-CG 3.13Å; C57-R61 PolarHBondContact O-N 3.11Å; C57-R61 VanDerWaalsContact O-N 3.08Å; A58-R61 PolarHBondContact O-N 2.8Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 2.95Å; R61-T65 PolarHBondContact O-N 3.13Å; R61-T65 PolarHBondContact O-OG1 3.36Å; R61-F93 HydrophobicContact CG-CE1 4.21Å; R61-F93 HydrophobicContact CG-CE2 4.09Å; R61-F93 HydrophobicContact CG-CZ 3.43Å; R61-F93 VanDerWaalsContact CG-CZ 3.43Å
62H98.3Very high97.4Very high1 Ų130.6 Ų30.61%0.00515%0.149CC..Hα-helixtrans-62.5-48.4175.6179.473.2000110.7W35 Y40 A58 L59 C60 N64 T65 V66W35-H62 AromaticContact CH2-CE1 3.21Å; W35-H62 WeakPolarHBondContact CH2-CE1 3.38Å; W35-H62 AromaticContact CH2-NE2 3.37Å; W35-H62 WeakPolarHBondContact CH2-NE2 3.4Å; W35-H62 AromaticContact CZ2-CE1 3.41Å; W35-H62 VanDerWaalsContact CZ2-CE1 3.41Å; W35-H62 WeakPolarHBondContact CZ2-CE1 3.27Å; W35-H62 AromaticContact CZ2-NE2 3.91Å; Y40-H62 HydrophobicContact CE2-CB 4.13Å; Y40-H62 AromaticContact CE2-ND1 3.42Å; Y40-H62 WeakPolarHBondContact CE2-ND1 3.25Å; Y40-H62 AromaticContact CZ-ND1 3.47Å; Y40-H62 PolarHBondContact OH-ND1 3.35Å; A58-H62 WeakPolarHBondContact O-CB 3.42Å; A58-H62 PolarHBondContact O-N 2.84Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 3.42Å; L59-H62 VanDerWaalsContact O-N 3.17Å; C60-H62 VanDerWaalsContact C-N 3.34Å; H62-N64 PolarHBondContact O-N 3.22Å; H62-T65 CarbonylContact O-C 3.58Å; H62-T65 WeakPolarHBondContact O-CA 3.37Å; H62-T65 VanDerWaalsContact O-CB 3.31Å; H62-T65 WeakPolarHBondContact O-CB 3.28Å; H62-T65 PolarHBondContact O-N 2.85Å; H62-V66 WeakPolarHBondContact NE2-CG2 3.41Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 3.24Å
63A98.6Very high97.3Very high0 Ų029.1 Ų29.10%014%0.136CC..Hα-helixtrans-52.7-48.7176.100000113L59 C60 T65 V66 N67 V91 F112 W115L59-A63 PolarHBondContact O-N 2.92Å; C60-A63 PolarHBondContact O-N 2.78Å; A63-T65 PolarHBondContact O-N 3.46Å; A63-V66 WeakPolarHBondContact O-CB 3.48Å; A63-V66 PolarHBondContact O-N 2.86Å; A63-V66 VanDerWaalsContact O-N 3.11Å; A63-N67 PolarHBondContact O-N 2.91Å; A63-N67 PolarHBondContact O-OD1 3.28Å; A63-V91 HydrophobicContact CB-CB 4.48Å; A63-V91 HydrophobicContact CB-CG2 3.56Å; A63-F112 HydrophobicContact CB-CD2 3.95Å; A63-F112 HydrophobicContact CB-CE2 4.06Å; A63-W115 HydrophobicContact CB-CD2 3.54Å; A63-W115 HydrophobicContact CB-CE3 3.52Å; A63-W115 HydrophobicContact CB-CG 4.18Å; A63-W115 HydrophobicContact CB-CH2 3.83Å; A63-W115 HydrophobicContact CB-CZ2 3.86Å; A63-W115 HydrophobicContact CB-CZ3 3.67Å; A63-W115 WeakPolarHBondContact O-CZ2 3.35Å
64N98.3Very high97.1Very high27 Ų2734 Ų3414%0.14416%0.159CC..Hα-helixtrans-68.1-25.6178.2-63.1-4.2000112.4C60 H62 R68 D90 V91C60-N64 PolarHBondContact O-N 2.84Å; C60-N64 VanDerWaalsContact O-N 3.12Å; H62-N64 PolarHBondContact O-N 3.22Å; N64-R68 PolarHBondContact O-N 2.83Å; N64-D90 WeakPolarHBondContact OD1-CA 3.48Å; N64-V91 PolarHBondContact ND2-O 3.49Å; N64-V91 WeakPolarHBondContact OD1-CB 3.41Å; N64-V91 PolarHBondContact OD1-N 2.7Å
65T97.9Very high96.9Very high29 Ų2937.1 Ų37.118%0.17818%0.183CC..Hα-helixtrans-72.8-38.5171.8-60.80000111.7Y40 R61 H62 A63 N67 R68 A69 M158Y40-T65 HydrophobicContact CE1-CG2 4.16Å; R61-T65 PolarHBondContact O-N 3.13Å; R61-T65 PolarHBondContact O-OG1 3.36Å; H62-T65 CarbonylContact O-C 3.58Å; H62-T65 WeakPolarHBondContact O-CA 3.37Å; H62-T65 VanDerWaalsContact O-CB 3.31Å; H62-T65 WeakPolarHBondContact O-CB 3.28Å; H62-T65 PolarHBondContact O-N 2.85Å; A63-T65 PolarHBondContact O-N 3.46Å; T65-N67 VanDerWaalsContact C-N 3.35Å; T65-R68 PolarHBondContact O-N 2.9Å; T65-R68 PolarHBondContact OG1-NH2 3.48Å; T65-R68 VanDerWaalsContact OG1-NH2 3.15Å; T65-A69 PolarHBondContact O-N 3.24Å; T65-M158 HydrophobicContact CG2-CE 3.95Å
66V98.1Very high96.7Very high0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-61.4-44.3172.9177.70000110.7H62 A63 R68 A69 A70 P87 W115 L120 F156 M158H62-V66 WeakPolarHBondContact NE2-CG2 3.41Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 3.24Å; A63-V66 WeakPolarHBondContact O-CB 3.48Å; A63-V66 PolarHBondContact O-N 2.86Å; A63-V66 VanDerWaalsContact O-N 3.11Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 3.04Å; V66-A69 PolarHBondContact O-N 3.23Å; V66-A70 WeakPolarHBondContact O-CB 3.23Å; V66-A70 PolarHBondContact O-N 3.27Å; V66-P87 HydrophobicContact CG1-CG 4.28Å; V66-W115 HydrophobicContact CB-CH2 3.8Å; V66-W115 HydrophobicContact CB-CZ2 3.96Å; V66-W115 HydrophobicContact CG1-CH2 3.92Å; V66-W115 HydrophobicContact CG1-CZ2 4.08Å; V66-W115 HydrophobicContact CG2-CH2 4.07Å; V66-L120 HydrophobicContact CG1-CD2 4.12Å; V66-F156 HydrophobicContact CG1-CD2 3.97Å; V66-F156 HydrophobicContact CG1-CE2 4.12Å; V66-M158 VanDerWaalsContact CA-SD 3.58Å; V66-M158 HydrophobicContact CB-SD 3.96Å; V66-M158 HydrophobicContact CG1-SD 4.33Å; V66-M158 HydrophobicContact CG2-CE 4.08Å; V66-M158 HydrophobicContact CG2-SD 3.48Å; V66-M158 WeakPolarHBondContact CG2-SD 3.37Å
67N97.7Very high96.2Very high0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-57.3-46174.8-66.1-13.5000112A63 T65 A70 Q71 P87 K89 D90 W115A63-N67 PolarHBondContact O-N 2.91Å; A63-N67 PolarHBondContact O-OD1 3.28Å; T65-N67 VanDerWaalsContact C-N 3.35Å; N67-A70 PolarHBondContact O-N 2.93Å; N67-Q71 WeakPolarHBondContact O-CG 3.43Å; N67-Q71 PolarHBondContact O-N 3.46Å; N67-P87 WeakPolarHBondContact OD1-CB 3.29Å; N67-K89 PolarHBondContact ND2-O 3.47Å; N67-D90 WeakPolarHBondContact ND2-CA 3.42Å; N67-D90 PolarHBondContact ND2-N 3.32Å; N67-D90 PolarHBondContact ND2-OD1 3.13Å; N67-W115 WeakPolarHBondContact OD1-CZ2 3.23Å; N67-W115 PolarHBondContact OD1-NE1 2.84Å
68R97.1Very high95.7Very high118 Ų11850.4 Ų50.445%0.44524%0.243SC..Hα-helixtrans-63.5-44.5178.1-178.817359.1-97.2-1.7111.8N64 T65 V66 A70 Q71 E72N64-R68 PolarHBondContact O-N 2.83Å; T65-R68 PolarHBondContact O-N 2.9Å; T65-R68 PolarHBondContact OG1-NH2 3.48Å; T65-R68 VanDerWaalsContact OG1-NH2 3.15Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 3.04Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.79Å; R68-Q71 WeakPolarHBondContact O-CB 3.46Å; R68-Q71 PolarHBondContact O-N 3.34Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CG-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 2.97Å
69A96.4Very high95.2Very high13 Ų1356.3 Ų56.311%0.10727%0.269CS..Hα-helixtrans-60-40.1175.400000111.7T65 V66 Q71 E72 F73 F156 M158T65-A69 PolarHBondContact O-N 3.24Å; V66-A69 PolarHBondContact O-N 3.23Å; A69-Q71 PolarHBondContact O-N 3.42Å; A69-E72 PolarHBondContact O-N 2.94Å; A69-F73 WeakPolarHBondContact O-CB 3.49Å; A69-F73 PolarHBondContact O-N 2.9Å; A69-F156 HydrophobicContact CB-CB 4.5Å; A69-M158 HydrophobicContact CB-CG 3.56Å; A69-M158 HydrophobicContact CB-SD 3.97Å
70A96.2Very high94.6Very high1 Ų157 Ų571%0.00828%0.276CS..Hα-helixtrans-65-36.1175.200000113.2V66 N67 R68 Q74 L86 P87 F156V66-A70 WeakPolarHBondContact O-CB 3.23Å; V66-A70 PolarHBondContact O-N 3.27Å; N67-A70 PolarHBondContact O-N 2.93Å; R68-A70 VanDerWaalsContact C-N 3.29Å; R68-A70 PolarHBondContact O-N 2.79Å; A70-Q74 WeakPolarHBondContact O-CB 3.35Å; A70-Q74 PolarHBondContact O-N 3.05Å; A70-L86 HydrophobicContact CB-CD2 4.16Å; A70-P87 HydrophobicContact CB-CG 3.72Å; A70-F156 HydrophobicContact CB-CB 4.31Å; A70-F156 HydrophobicContact CB-CD1 4.31Å; A70-F156 HydrophobicContact CB-CD2 3.92Å; A70-F156 HydrophobicContact CB-CE2 4.34Å; A70-F156 HydrophobicContact CB-CG 3.91Å
71Q95.1Very high94.1Very high98 Ų9857.3 Ų57.346%0.45828%0.278SS..Hα-helixtrans-69.4-44.7174.8-70.81723.600111.9N67 R68 A69 F73 Q74 S75N67-Q71 WeakPolarHBondContact O-CG 3.43Å; N67-Q71 PolarHBondContact O-N 3.46Å; R68-Q71 WeakPolarHBondContact O-CB 3.46Å; R68-Q71 PolarHBondContact O-N 3.34Å; R68-Q71 VanDerWaalsContact O-N 3.15Å; A69-Q71 PolarHBondContact O-N 3.42Å; Q71-F73 VanDerWaalsContact C-N 3.34Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q71-S75 PolarHBondContact O-N 3.46Å
72E94.9Very high93.6Very high100 Ų10057.5 Ų57.547%0.46728%0.283SS..Hα-helixtrans-58.5-48.8174.5-72.7169-173.100110R68 A69 Q74 S75 E76R68-E72 WeakPolarHBondContact CG-OE1 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.41Å; R68-E72 PolarHBondContact O-N 2.97Å; A69-E72 PolarHBondContact O-N 2.94Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.37Å; E72-S75 PolarHBondContact O-N 2.86Å; E72-S75 PolarHBondContact O-OG 2.77Å; E72-E76 PolarHBondContact O-N 3.14Å
73F93.8Very high93Very high8 Ų862.4 Ų62.44%0.03532%0.317CS..Hα-helixtrans-54-45.9174174.2-92.7000113A69 Q71 S75 E76 N77 A80 A81 M84 L86 F156 W197A69-F73 WeakPolarHBondContact O-CB 3.49Å; A69-F73 PolarHBondContact O-N 2.9Å; Q71-F73 VanDerWaalsContact C-N 3.34Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.67Å; F73-E76 PolarHBondContact O-N 2.93Å; F73-N77 HydrophobicContact CE2-CB 4.47Å; F73-N77 WeakPolarHBondContact O-CB 3.46Å; F73-N77 PolarHBondContact O-N 3Å; F73-A80 HydrophobicContact CZ-CB 4.31Å; F73-A81 HydrophobicContact CD1-CB 4.44Å; F73-A81 HydrophobicContact CE1-CB 4.15Å; F73-M84 HydrophobicContact CE1-SD 3.81Å; F73-M84 HydrophobicContact CZ-SD 3.71Å; F73-L86 HydrophobicContact CD1-CD2 3.97Å; F73-L86 HydrophobicContact CE1-CD2 4.31Å; F73-F156 HydrophobicContact CB-CB 4.41Å; F73-W197 AromaticContact CE2-CD1 3.86Å; F73-W197 AromaticContact CE2-CD2 3.49Å; F73-W197 HydrophobicContact CE2-CD2 3.49Å; F73-W197 VanDerWaalsContact CE2-CD2 3.49Å; F73-W197 AromaticContact CE2-CE2 3.22Å; F73-W197 HydrophobicContact CE2-CE3 4.08Å; F73-W197 AromaticContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CH2 4.38Å; F73-W197 AromaticContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ3 4.49Å; F73-W197 AromaticContact CE2-NE1 3.4Å; F73-W197 HydrophobicContact CZ-CD2 4.17Å; F73-W197 AromaticContact CZ-CE2 3.44Å; F73-W197 VanDerWaalsContact CZ-CE2 3.44Å; F73-W197 AromaticContact CZ-CZ2 3.81Å; F73-W197 HydrophobicContact CZ-CZ2 3.81Å; F73-W197 AromaticContact CZ-NE1 3.28Å; F73-W197 VanDerWaalsContact CZ-NE1 3.28Å
74Q94.1Very high92.5Very high104 Ų10465.2 Ų65.249%0.48633%0.331SS..Hα-helixtrans-62.3-36.9178.1-178.317349.500112.4A70 Q71 E72 A81 L86A70-Q74 WeakPolarHBondContact O-CB 3.35Å; A70-Q74 PolarHBondContact O-N 3.05Å; Q71-Q74 PolarHBondContact O-N 3.2Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 3.37Å; Q74-A81 HydrophobicContact CB-CB 4.12Å; Q74-A81 HydrophobicContact CG-CB 3.91Å; Q74-L86 HydrophobicContact CB-CD1 3.88Å; Q74-L86 HydrophobicContact CG-CD1 4.09Å
75S92.8Very high92.1Very high94 Ų9471 Ų7166%0.65736%0.355SS*.Hα-helixtrans-72.1-37.1-180760000112.7Q71 E72 F73Q71-S75 PolarHBondContact O-N 3.46Å; E72-S75 PolarHBondContact O-N 2.86Å; E72-S75 PolarHBondContact O-OG 2.77Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.67Å
76E92.4Very high91.9Very high149 Ų14971 Ų7170%0.69635%0.354SS*.Hα-helixtrans-78.8-32.9179.6-68.5179.617700111.7E72 F73E72-E76 PolarHBondContact O-N 3.14Å; F73-E76 PolarHBondContact O-N 2.93Å
77N88.2Confident91.8Very high40 Ų4071.1 Ų71.121%0.21435%0.354CS..  trans-135.861.5-165.2-55.8-65.9000112.8F73 E79 A80 A81 W197F73-N77 HydrophobicContact CE2-CB 4.47Å; F73-N77 WeakPolarHBondContact O-CB 3.46Å; F73-N77 PolarHBondContact O-N 3Å; N77-E79 VanDerWaalsContact C-N 3.34Å; N77-E79 PolarHBondContact O-N 2.96Å; N77-A80 PolarHBondContact O-N 3.17Å; N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.87Å; N77-W197 HydrophobicContact CB-CH2 3.29Å; N77-W197 HydrophobicContact CB-CZ2 3.53Å; N77-W197 HydrophobicContact CB-CZ3 4.15Å; N77-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N77-W197 WeakPolarHBondContact ND2-CZ3 3.48Å; N77-W197 WeakPolarHBondContact OD1-CH2 3.3Å; N77-W197 WeakPolarHBondContact OD1-CZ3 3.33Å
78Q87.1Confident91.6Very high131 Ų13174.6 Ų74.661%0.61238%0.378SS*.Hα-helixtrans-59.4-36.3-170.1-164.6175.74.800114.5K82Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.34Å
79E87.1Confident91.5Very high134 Ų13475 Ų7563%0.62638%0.383SS*.Hα-helixtrans-70.6-43.8-179.6-66.1-52.2137.500112.7N77 A81 K82N77-E79 VanDerWaalsContact C-N 3.34Å; N77-E79 PolarHBondContact O-N 2.96Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-K82 PolarHBondContact O-N 3.19Å; E79-K82 IonicContact OE1-NZ 3.03Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 2.64Å; E79-K82 PolarHBondContact OE2-NZ 3.15Å
80A85.3Confident91.6Very high18 Ų1879.2 Ų79.215%0.14940%0.404CS..Hα-helixtrans-68.9-34.9175.500000111.9F73 N77 K82 S83 M84 W197F73-A80 HydrophobicContact CZ-CB 4.31Å; N77-A80 PolarHBondContact O-N 3.17Å; A80-K82 PolarHBondContact O-N 3Å; A80-S83 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-OG 2.93Å; A80-M84 WeakPolarHBondContact O-CG 3.46Å; A80-M84 PolarHBondContact O-N 3.06Å; A80-W197 HydrophobicContact CB-CZ2 3.45Å; A80-W197 VanDerWaalsContact CB-CZ2 3.45Å
81A88Confident91.6Very high6 Ų679.7 Ų79.75%0.0541%0.407CS..Hα-helixtrans-60.5-32.2174.800000113F73 Q74 N77 E79 S83 M84 L86F73-A81 HydrophobicContact CD1-CB 4.44Å; F73-A81 HydrophobicContact CE1-CB 4.15Å; Q74-A81 HydrophobicContact CB-CB 4.12Å; Q74-A81 HydrophobicContact CG-CB 3.91Å; N77-A81 WeakPolarHBondContact O-CB 3.2Å; N77-A81 PolarHBondContact O-N 2.87Å; E79-A81 VanDerWaalsContact C-N 3.33Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.32Å; A81-L86 HydrophobicContact CB-CD1 3.85Å
82K87.6Confident91.7Very high137 Ų13781 Ų8160%0.59642%0.421SS*.Hα-helixtrans-65.9-29.2177.3-72.4168.9-167.2169.30113.2Q78 E79 A80 M84Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 3.19Å; E79-K82 IonicContact OE1-NZ 3.03Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 2.64Å; E79-K82 PolarHBondContact OE2-NZ 3.15Å; A80-K82 PolarHBondContact O-N 3Å; K82-M84 VanDerWaalsContact C-N 3.35Å
83S86.6Confident91.9Very high104 Ų10478.3 Ų78.373%0.72741%0.408SS*.Hα-helixtrans-88.1-5178.763.20000113.2A80 A81A80-S83 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-OG 2.93Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.06Å
84M87.3Confident92Very high58 Ų5881.9 Ų81.929%0.28643%0.425SS..SBendtrans-112.3151-175.7-64.9177.573.900112.1F73 A80 A81 K82 K155 F156F73-M84 HydrophobicContact CE1-SD 3.81Å; F73-M84 HydrophobicContact CZ-SD 3.71Å; A80-M84 WeakPolarHBondContact O-CG 3.46Å; A80-M84 PolarHBondContact O-N 3.06Å; A81-M84 PolarHBondContact O-N 3.32Å; K82-M84 VanDerWaalsContact C-N 3.35Å; M84-K155 HydrophobicContact CE-CB 3.8Å; M84-F156 HydrophobicContact CE-CD1 4.29Å; M84-F156 HydrophobicContact CE-CE1 4.04Å
85K90.4Very high92Very high149 Ų14980.5 Ų80.565%0.64843%0.426SS*.  trans-88.4121.2167.1-64.5-174.5179.9178.20108.9W121K85-W121 HydrophobicContact CB-CD2 4.5Å; K85-W121 HydrophobicContact CB-CE3 3.89Å; K85-W121 HydrophobicContact CB-CH2 3.63Å; K85-W121 HydrophobicContact CB-CZ2 4.23Å; K85-W121 HydrophobicContact CB-CZ3 3.41Å; K85-W121 VanDerWaalsContact CB-CZ3 3.41Å; K85-W121 HydrophobicContact CD-CD2 4.14Å; K85-W121 HydrophobicContact CD-CE3 4.31Å; K85-W121 HydrophobicContact CD-CH2 4.47Å; K85-W121 HydrophobicContact CD-CZ2 4.27Å; K85-W121 HydrophobicContact CD-CZ3 4.47Å
86L93.4Very high92.1Very high30 Ų3085 Ų8516%0.15743%0.429CS..  trans-111.2133.6-174.9-64167.4000110.8A70 F73 Q74 A81 F156A70-L86 HydrophobicContact CB-CD2 4.16Å; F73-L86 HydrophobicContact CD1-CD2 3.97Å; F73-L86 HydrophobicContact CE1-CD2 4.31Å; Q74-L86 HydrophobicContact CB-CD1 3.88Å; Q74-L86 HydrophobicContact CG-CD1 4.09Å; A81-L86 HydrophobicContact CB-CD1 3.85Å; L86-F156 HydrophobicContact CD2-CD1 3.68Å; L86-F156 HydrophobicContact CD2-CE1 3.51Å; L86-F156 HydrophobicContact CD2-CZ 4.36Å
87P96.1Very high92.2Very high2 Ų285 Ų851%0.01343%0.434CS..  trans-69.6145.7171.732-36.9000110.3V66 N67 A70 W115 E119 L120 F156V66-P87 HydrophobicContact CG1-CG 4.28Å; N67-P87 WeakPolarHBondContact OD1-CB 3.29Å; A70-P87 HydrophobicContact CB-CG 3.72Å; P87-W115 HydrophobicContact CB-CZ2 4.47Å; P87-E119 HydrophobicContact CB-CB 3.83Å; P87-E119 WeakPolarHBondContact CB-O 3.37Å; P87-L120 HydrophobicContact CB-CD2 4.29Å; P87-L120 HydrophobicContact CG-CD2 4.07Å; P87-F156 VanDerWaalsContact CD-CZ 3.48Å; P87-F156 HydrophobicContact CG-CD2 4.42Å; P87-F156 HydrophobicContact CG-CE2 3.77Å; P87-F156 HydrophobicContact CG-CZ 4.25Å
88S94Very high92.5Very high72 Ų7284.1 Ų84.150%0.50343%0.43SS..  trans-142-19.1-175.561.20000114.6E119S88-E119 PolarHBondContact N-OE2 3.23Å
89K95.9Very high92.9Very high128 Ų12883.6 Ų83.656%0.55743%0.43SS*.PPolyproline II helixtrans-97.4122.4-176.6-60.2-178.2-164.91470111.7N67 W115 E119N67-K89 PolarHBondContact ND2-O 3.47Å; K89-W115 VanDerWaalsContact O-CD1 3.26Å; K89-W115 PolarHBondContact O-NE1 3.49Å; K89-E119 HydrophobicContact CB-CG 4.21Å; K89-E119 WeakPolarHBondContact CD-OE1 3.43Å; K89-E119 PolarHBondContact N-OE2 2.98Å; K89-E119 IonicContact NZ-OE1 3.91Å
90D96.5Very high93.4Very high101 Ų10180.3 Ų80.354%0.5442%0.421SS..PPolyproline II helixtrans-69.2143.4174.8-78.8-6.7000112.6N64 N67N64-D90 WeakPolarHBondContact OD1-CA 3.48Å; N67-D90 WeakPolarHBondContact ND2-CA 3.42Å; N67-D90 PolarHBondContact ND2-N 3.32Å; N67-D90 PolarHBondContact ND2-OD1 3.13Å
91V97.6Very high93.7Very high11 Ų1181.1 Ų81.17%0.06743%0.43CS..PPolyproline II helixtrans-78.7120.5170.5-169.10000108.5C60 A63 N64 N111 W115C60-V91 HydrophobicContact CB-CB 4.35Å; C60-V91 HydrophobicContact CB-CG1 4.01Å; A63-V91 HydrophobicContact CB-CB 4.48Å; A63-V91 HydrophobicContact CB-CG2 3.56Å; N64-V91 PolarHBondContact ND2-O 3.49Å; N64-V91 WeakPolarHBondContact OD1-CB 3.41Å; N64-V91 PolarHBondContact OD1-N 2.7Å; V91-N111 HydrophobicContact CG1-CB 3.72Å; V91-W115 HydrophobicContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CD1 3.44Å; V91-W115 HydrophobicContact CG2-CD2 4.08Å; V91-W115 HydrophobicContact CG2-CG 3.36Å
92V96.9Very high94.1Very high125 Ų12582.2 Ų82.276%0.75844%0.438SS*.PPolyproline II helixtrans-83.7129.6169.4-177.50000108.3N111V92-N111 PolarHBondContact O-ND2 3.36Å
93F98.1Very high94.5Very high44 Ų4484.3 Ų84.319%0.19345%0.447CS..  trans-151.4155-177.473.8-79.4000111.3C57 C60 R61 N108C57-F93 HydrophobicContact CB-CE2 4.31Å; C60-F93 HydrophobicContact CB-CB 3.63Å; C60-F93 HydrophobicContact CB-CD1 3.34Å; C60-F93 HydrophobicContact CB-CD2 3.83Å; C60-F93 HydrophobicContact CB-CE1 3.91Å; C60-F93 HydrophobicContact CB-CE2 4.33Å; C60-F93 HydrophobicContact CB-CG 3.31Å; C60-F93 HydrophobicContact CB-CZ 4.38Å; R61-F93 HydrophobicContact CG-CE1 4.21Å; R61-F93 HydrophobicContact CG-CE2 4.09Å; R61-F93 HydrophobicContact CG-CZ 3.43Å; R61-F93 VanDerWaalsContact CG-CZ 3.43Å; F93-N108 WeakPolarHBondContact CB-OD1 3.25Å
94Q97.4Very high95Very high82 Ų8283.2 Ų83.238%0.38343%0.433SS..  trans-82.1120.1173.3178.160.6-2.100109.5C57 R96 V98 L104 N108C57-Q94 PolarHBondContact SG-O 2.9Å; C57-Q94 VanDerWaalsContact SG-O 3.33Å; Q94-R96 WeakPolarHBondContact CG-O 3.27Å; Q94-R96 PolarHBondContact NE2-O 2.84Å; Q94-V98 HydrophobicContact CB-CG2 4Å; Q94-V98 HydrophobicContact CG-CG2 3.62Å; Q94-V98 WeakPolarHBondContact O-CG2 3.35Å; Q94-L104 HydrophobicContact CG-CD1 4.49Å; Q94-N108 PolarHBondContact N-OD1 3.38Å; Q94-N108 PolarHBondContact O-ND2 3.46Å
95S94Very high95.4Very high75 Ų7580.5 Ų80.552%0.52442%0.419SS..  trans-100.3-12.6-175.158.10000114.5
96R93.8Very high95.8Very high189 Ų18976.3 Ų76.371%0.71340%0.399SS*.SBendtrans-122.3144.7-174.9-63-176.1-178.7-178.60.4111.1Q94 V98Q94-R96 WeakPolarHBondContact CG-O 3.27Å; Q94-R96 PolarHBondContact NE2-O 2.84Å; R96-V98 PolarHBondContact O-N 3.15Å
97N94Very high96Very high149 Ų14978.9 Ų78.980%0.79741%0.413SS*.SBendtrans56.329.8175.7-51.9-35.7000113.7
98V96.4Very high96.1Very high22 Ų2278.8 Ų78.813%0.13341%0.413CS..  trans-85.1118.1174-176.90000108.3T55 Q94 R96 L104 A105T55-V98 HydrophobicContact CG2-CG1 4.39Å; Q94-V98 HydrophobicContact CB-CG2 4Å; Q94-V98 HydrophobicContact CG-CG2 3.62Å; Q94-V98 WeakPolarHBondContact O-CG2 3.35Å; R96-V98 PolarHBondContact O-N 3.15Å; V98-L104 HydrophobicContact CG1-CB 4.24Å; V98-L104 HydrophobicContact CG2-CB 4.45Å; V98-A105 HydrophobicContact CG1-CB 3.88Å
99I95.6Very high96.3Very high119 Ų11975.4 Ų75.461%0.6139%0.389SS*.  trans-91.9134.1178.3-55.7173.3000108S102I99-S102 WeakPolarHBondContact O-CB 3.44Å; I99-S102 PolarHBondContact O-N 3.04Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.03Å
100P95.8Very high96.5Very high66 Ų6671.7 Ų71.743%0.42938%0.379SS..THydrogen-bonded Turntrans-41.4139164.7-38.342.8000114.3E54 T55 S102E54-P100 HydrophobicContact CG-CB 3.92Å; E54-P100 HydrophobicContact CG-CG 4.23Å; E54-P100 WeakPolarHBondContact OE1-CB 3.34Å; E54-P100 WeakPolarHBondContact OE1-CG 3.41Å; T55-P100 HydrophobicContact CG2-CG 4.04Å; P100-S102 PolarHBondContact O-N 3.33Å; P100-S102 VanDerWaalsContact O-N 3.08Å
101G92.5Very high96.6Very high34 Ų3469.2 Ų69.235%0.35137%0.366SS..THydrogen-bonded Turntrans70.6-1.117900000115.7R106G101-R106 PolarHBondContact O-NH1 3.13Å
102S95.4Very high96.6Very high30 Ų3068.8 Ų68.821%0.2136%0.363CS..SBendtrans-78167.4179.9700000113.3I99 P100 L104 A105 R106I99-S102 WeakPolarHBondContact O-CB 3.44Å; I99-S102 PolarHBondContact O-N 3.04Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.03Å; P100-S102 PolarHBondContact O-N 3.33Å; P100-S102 VanDerWaalsContact O-N 3.08Å; S102-L104 VanDerWaalsContact C-N 3.27Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 PolarHBondContact OG-N 3.35Å; S102-A105 WeakPolarHBondContact O-CB 3.35Å; S102-A105 PolarHBondContact O-N 2.94Å; S102-A105 PolarHBondContact OG-N 3.2Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; S102-R106 PolarHBondContact O-N 3.01Å; S102-R106 VanDerWaalsContact O-N 3.09Å
103F96Very high96.7Very high181 Ų18163.5 Ų63.579%0.79433%0.33SS*.Hα-helixtrans-60.8-36170.2-72.6-77.3000112.4R106 D107F103-R106 PolarHBondContact O-N 3.38Å; F103-D107 WeakPolarHBondContact O-CB 3.36Å; F103-D107 PolarHBondContact O-N 3.34Å
104L97.2Very high96.7Very high81 Ų8163.7 Ų63.742%0.42434%0.335SS..Hα-helixtrans-66-38.2176.1-66.4174.1000111.9Q94 V98 S102 D107 N108Q94-L104 HydrophobicContact CG-CD1 4.49Å; V98-L104 HydrophobicContact CG1-CB 4.24Å; V98-L104 HydrophobicContact CG2-CB 4.45Å; S102-L104 VanDerWaalsContact C-N 3.27Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 PolarHBondContact OG-N 3.35Å; L104-D107 PolarHBondContact O-N 3.45Å; L104-N108 PolarHBondContact O-N 3.34Å
105A97.3Very high96.8Very high0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-63-47.1173.900000111V98 S102 D107 N108 V109V98-A105 HydrophobicContact CG1-CB 3.88Å; S102-A105 WeakPolarHBondContact O-CB 3.35Å; S102-A105 PolarHBondContact O-N 2.94Å; S102-A105 PolarHBondContact OG-N 3.2Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; A105-D107 VanDerWaalsContact C-N 3.32Å; A105-D107 PolarHBondContact O-N 3.35Å; A105-N108 PolarHBondContact O-N 3.13Å; A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.26Å
106R97.8Very high97Very high61 Ų6156.6 Ų56.623%0.2329%0.294CS..Hα-helixtrans-60.8-39.3175.9-71-173.518081.2-3.7112.4G101 S102 F103 V109 S110 V134 E135G101-R106 PolarHBondContact O-NH1 3.13Å; S102-R106 PolarHBondContact O-N 3.01Å; S102-R106 VanDerWaalsContact O-N 3.09Å; F103-R106 PolarHBondContact O-N 3.38Å; R106-V109 PolarHBondContact O-N 3.07Å; R106-S110 WeakPolarHBondContact O-CB 3.49Å; R106-S110 PolarHBondContact O-N 3.02Å; R106-V134 HydrophobicContact CG-CB 4.34Å; R106-V134 HydrophobicContact CG-CG1 4.06Å; R106-V134 HydrophobicContact CG-CG2 4.07Å; R106-E135 IonicContact CZ-OE1 3.48Å; R106-E135 IonicContact NE-OE1 2.9Å; R106-E135 IonicContact NH2-OE1 3.74Å; R106-E135 PolarHBondContact NH2-OE1 2.87Å
107D98.1Very high97.2Very high85 Ų8552.5 Ų52.546%0.45528%0.278SS..Hα-helixtrans-64.2-47.4177.8-169.159000111.9F103 L104 A105 V109 S110 N111F103-D107 WeakPolarHBondContact O-CB 3.36Å; F103-D107 PolarHBondContact O-N 3.34Å; L104-D107 PolarHBondContact O-N 3.45Å; A105-D107 VanDerWaalsContact C-N 3.32Å; A105-D107 PolarHBondContact O-N 3.35Å; D107-V109 VanDerWaalsContact C-N 3.33Å; D107-V109 PolarHBondContact O-N 3.45Å; D107-S110 WeakPolarHBondContact O-CB 3.42Å; D107-S110 PolarHBondContact O-N 3.1Å; D107-S110 VanDerWaalsContact O-N 3.16Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3.42Å; D107-N111 PolarHBondContact O-ND2 2.8Å
108N98.5Very high97.3Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-56-47.5173.9-74.5-10.2000111.8T55 C57 C60 F93 Q94 L104 A105 S110 N111 F112T55-N108 PolarHBondContact O-ND2 2.84Å; T55-N108 VanDerWaalsContact O-ND2 3.09Å; C57-N108 PolarHBondContact SG-ND2 3.12Å; C60-N108 PolarHBondContact SG-O 3.47Å; F93-N108 WeakPolarHBondContact CB-OD1 3.25Å; Q94-N108 PolarHBondContact N-OD1 3.38Å; Q94-N108 PolarHBondContact O-ND2 3.46Å; L104-N108 PolarHBondContact O-N 3.34Å; A105-N108 PolarHBondContact O-N 3.13Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.3Å; N108-N111 PolarHBondContact O-N 2.93Å; N108-F112 PolarHBondContact O-N 3.39Å
109V98.4Very high97.4Very high0 Ų049.9 Ų49.90%026%0.26CS..Hα-helixtrans-63.4-40.5178.6178.10000111.1A105 R106 D107 N111 F112 I113 F128 T130 L133 V134A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.33Å; A105-V109 PolarHBondContact O-N 3.26Å; R106-V109 PolarHBondContact O-N 3.07Å; D107-V109 VanDerWaalsContact C-N 3.33Å; D107-V109 PolarHBondContact O-N 3.45Å; V109-N111 PolarHBondContact O-N 3.34Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 2.85Å; V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.43Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.93Å; V109-F128 HydrophobicContact CG1-CE2 3.63Å; V109-F128 HydrophobicContact CG1-CZ 3.99Å; V109-T130 HydrophobicContact CB-CG2 4.25Å; V109-T130 HydrophobicContact CG1-CG2 4.04Å; V109-L133 HydrophobicContact CG1-CD2 4.17Å; V109-L133 HydrophobicContact CG2-CD2 3.82Å; V109-V134 HydrophobicContact CG2-CG2 4.26Å
110S98.6Very high97.4Very high50 Ų5044.4 Ų44.435%0.3523%0.232SC..Hα-helixtrans-61.5-41.6175.4-176.60000112.5R106 D107 N108 F112 I113 T114R106-S110 WeakPolarHBondContact O-CB 3.49Å; R106-S110 PolarHBondContact O-N 3.02Å; D107-S110 WeakPolarHBondContact O-CB 3.42Å; D107-S110 PolarHBondContact O-N 3.1Å; D107-S110 VanDerWaalsContact O-N 3.16Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.3Å; S110-F112 VanDerWaalsContact C-N 3.35Å; S110-I113 PolarHBondContact O-N 2.8Å; S110-T114 WeakPolarHBondContact O-CB 3.47Å; S110-T114 PolarHBondContact O-N 2.96Å; S110-T114 PolarHBondContact O-OG1 3.47Å
111N98.6Very high97.5Very high50 Ų5046.2 Ų46.227%0.26723%0.23SC..Hα-helixtrans-64.9-40.8176.9-65.7-18000111.1V91 V92 D107 N108 V109 T114 W115V91-N111 HydrophobicContact CG1-CB 3.72Å; V92-N111 PolarHBondContact O-ND2 3.36Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3.42Å; D107-N111 PolarHBondContact O-ND2 2.8Å; N108-N111 PolarHBondContact O-N 2.93Å; V109-N111 PolarHBondContact O-N 3.34Å; N111-T114 PolarHBondContact O-N 3.47Å; N111-W115 PolarHBondContact O-N 2.98Å
112F98.8Very high97.7Very high1 Ų144.9 Ų44.90%0.00422%0.215CC..Hα-helixtrans-62.8-47.2173.3177.6-104000112.7L59 A63 N108 V109 S110 T114 W115 C116 F128 L146 V149L59-F112 HydrophobicContact CB-CB 4.29Å; L59-F112 HydrophobicContact CB-CD1 3.96Å; L59-F112 HydrophobicContact CB-CD2 3.73Å; L59-F112 HydrophobicContact CB-CE1 4.16Å; L59-F112 HydrophobicContact CB-CE2 3.96Å; L59-F112 HydrophobicContact CB-CG 3.72Å; L59-F112 HydrophobicContact CB-CZ 4.16Å; L59-F112 HydrophobicContact CD1-CD1 4.04Å; L59-F112 HydrophobicContact CD1-CE1 4.24Å; L59-F112 HydrophobicContact CD2-CE1 4.4Å; L59-F112 HydrophobicContact CD2-CZ 4.41Å; L59-F112 WeakPolarHBondContact O-CD2 3.48Å; L59-F112 WeakPolarHBondContact O-CE2 3.41Å; A63-F112 HydrophobicContact CB-CD2 3.95Å; A63-F112 HydrophobicContact CB-CE2 4.06Å; N108-F112 PolarHBondContact O-N 3.39Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 2.85Å; S110-F112 VanDerWaalsContact C-N 3.35Å; F112-T114 VanDerWaalsContact C-N 3.26Å; F112-T114 PolarHBondContact O-N 3Å; F112-W115 HydrophobicContact CD2-CE3 4.28Å; F112-W115 HydrophobicContact CE2-CE3 4.11Å; F112-W115 HydrophobicContact CE2-CZ3 4.09Å; F112-W115 WeakPolarHBondContact O-CB 3.36Å; F112-W115 PolarHBondContact O-N 2.96Å; F112-W115 VanDerWaalsContact O-N 3.14Å; F112-C116 VanDerWaalsContact CE1-SG 3.57Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 PolarHBondContact O-N 3.33Å; F112-C116 PolarHBondContact O-SG 3.46Å; F112-F128 HydrophobicContact CD1-CE1 4.08Å; F112-F128 AromaticContact CD1-CZ 3.96Å; F112-F128 HydrophobicContact CD1-CZ 3.96Å; F112-F128 AromaticContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CZ 4.2Å; F112-L146 HydrophobicContact CZ-CD1 4.39Å; F112-V149 HydrophobicContact CZ-CG2 4.15Å
113I98.6Very high97.7Very high14 Ų1450.6 Ų50.67%0.07224%0.236CC..Hα-helixtrans-56.9-42.8175.9-72.7165.5000110.6V109 S110 C116 R117 M127 F128 T130V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.43Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 PolarHBondContact O-N 2.93Å; S110-I113 PolarHBondContact O-N 2.8Å; I113-C116 PolarHBondContact O-N 3.14Å; I113-R117 PolarHBondContact O-N 3.15Å; I113-M127 HydrophobicContact CB-CE 4.33Å; I113-M127 HydrophobicContact CG2-CE 3.62Å; I113-M127 WeakPolarHBondContact O-CE 3.33Å; I113-F128 HydrophobicContact CD1-CD2 4.19Å; I113-F128 HydrophobicContact CD1-CE1 4.39Å; I113-F128 HydrophobicContact CD1-CE2 3.82Å; I113-F128 HydrophobicContact CD1-CZ 3.93Å; I113-F128 WeakPolarHBondContact CD1-O 3.37Å; I113-F128 HydrophobicContact CG1-CD1 4.24Å; I113-F128 HydrophobicContact CG1-CE1 3.7Å; I113-F128 HydrophobicContact CG1-CE2 3.99Å; I113-F128 HydrophobicContact CG1-CZ 3.55Å; I113-T130 HydrophobicContact CD1-CG2 3.97Å
114T98.5Very high97.6Very high48 Ų4847.2 Ų47.229%0.29423%0.226SC..Hα-helixtrans-62.1-44.3177.8-60.10000111.3S110 N111 F112 R117 Q118S110-T114 WeakPolarHBondContact O-CB 3.47Å; S110-T114 PolarHBondContact O-N 2.96Å; S110-T114 PolarHBondContact O-OG1 3.47Å; N111-T114 PolarHBondContact O-N 3.47Å; F112-T114 VanDerWaalsContact C-N 3.26Å; F112-T114 PolarHBondContact O-N 3Å; T114-R117 PolarHBondContact O-N 3.27Å; T114-Q118 HydrophobicContact CG2-CG 4.37Å; T114-Q118 WeakPolarHBondContact O-CB 3.24Å; T114-Q118 WeakPolarHBondContact O-CG 3.36Å; T114-Q118 PolarHBondContact O-N 3.43Å
115W98.6Very high97.5Very high9 Ų949.5 Ų49.53%0.03424%0.243CC..Hα-helixtrans-62.8-45.4175.8175.391.1000112.7A63 V66 N67 P87 K89 V91 N111 F112 R117 Q118 E119 L120 V149A63-W115 HydrophobicContact CB-CD2 3.54Å; A63-W115 HydrophobicContact CB-CE3 3.52Å; A63-W115 HydrophobicContact CB-CG 4.18Å; A63-W115 HydrophobicContact CB-CH2 3.83Å; A63-W115 HydrophobicContact CB-CZ2 3.86Å; A63-W115 HydrophobicContact CB-CZ3 3.67Å; A63-W115 WeakPolarHBondContact O-CZ2 3.35Å; V66-W115 HydrophobicContact CB-CH2 3.8Å; V66-W115 HydrophobicContact CB-CZ2 3.96Å; V66-W115 HydrophobicContact CG1-CH2 3.92Å; V66-W115 HydrophobicContact CG1-CZ2 4.08Å; V66-W115 HydrophobicContact CG2-CH2 4.07Å; N67-W115 WeakPolarHBondContact OD1-CZ2 3.23Å; N67-W115 PolarHBondContact OD1-NE1 2.84Å; P87-W115 HydrophobicContact CB-CZ2 4.47Å; K89-W115 VanDerWaalsContact O-CD1 3.26Å; K89-W115 PolarHBondContact O-NE1 3.49Å; V91-W115 HydrophobicContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CB 3.44Å; V91-W115 VanDerWaalsContact CG2-CD1 3.44Å; V91-W115 HydrophobicContact CG2-CD2 4.08Å; V91-W115 HydrophobicContact CG2-CG 3.36Å; N111-W115 PolarHBondContact O-N 2.98Å; F112-W115 HydrophobicContact CD2-CE3 4.28Å; F112-W115 HydrophobicContact CE2-CE3 4.11Å; F112-W115 HydrophobicContact CE2-CZ3 4.09Å; F112-W115 WeakPolarHBondContact O-CB 3.36Å; F112-W115 PolarHBondContact O-N 2.96Å; F112-W115 VanDerWaalsContact O-N 3.14Å; W115-R117 PolarHBondContact O-N 2.89Å; W115-Q118 PolarHBondContact O-N 3.26Å; W115-Q118 VanDerWaalsContact O-N 3.17Å; W115-E119 VanDerWaalsContact CD1-CG 3.48Å; W115-E119 HydrophobicContact CD2-CB 4.37Å; W115-E119 HydrophobicContact CG-CB 4.14Å; W115-E119 HydrophobicContact CG-CG 4.24Å; W115-E119 WeakPolarHBondContact O-CB 3.16Å; W115-E119 PolarHBondContact O-N 2.77Å; W115-L120 HydrophobicContact CE3-CD1 4.35Å; W115-L120 HydrophobicContact CE3-CG 4.39Å; W115-L120 HydrophobicContact CH2-CD1 3.32Å; W115-L120 HydrophobicContact CH2-CD2 4.03Å; W115-L120 HydrophobicContact CH2-CG 3.48Å; W115-L120 VanDerWaalsContact CH2-CG 3.48Å; W115-L120 HydrophobicContact CZ2-CD1 4.25Å; W115-L120 HydrophobicContact CZ2-CD2 4.23Å; W115-L120 HydrophobicContact CZ2-CG 3.93Å; W115-L120 HydrophobicContact CZ3-CD1 3.37Å; W115-L120 HydrophobicContact CZ3-CG 3.74Å; W115-L120 PolarHBondContact O-N 3.46Å; W115-V149 HydrophobicContact CZ3-CG1 4.31Å
116C98.6Very high97.4Very high0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-54.6-40176-74.60000112.4F112 I113 L120 W121 I122 M127 V149F112-C116 VanDerWaalsContact CE1-SG 3.57Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 PolarHBondContact O-N 3.33Å; F112-C116 PolarHBondContact O-SG 3.46Å; I113-C116 PolarHBondContact O-N 3.14Å; C116-L120 CarbonylContact O-C 3.52Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-W121 PolarHBondContact O-N 2.74Å; C116-I122 HydrophobicContact CB-CD1 4.1Å; C116-I122 PolarHBondContact O-N 3.22Å; C116-I122 VanDerWaalsContact O-N 3.13Å; C116-M127 HydrophobicContact CB-CE 3.85Å; C116-M127 HydrophobicContact CB-SD 4.08Å; C116-V149 VanDerWaalsContact SG-CG2 3.59Å
117R97.8Very high97.3Very high103 Ų10349.9 Ų49.939%0.38925%0.249SC..Hα-helixtrans-72.5-44178.1-172179.1-67106.5-0.6112.4I113 T114 W115 W121 D124 M127I113-R117 PolarHBondContact O-N 3.15Å; T114-R117 PolarHBondContact O-N 3.27Å; W115-R117 PolarHBondContact O-N 2.89Å; R117-W121 WeakPolarHBondContact O-CA 3.05Å; R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact NE-OD1 2.73Å; R117-D124 PolarHBondContact NE-OD1 3.13Å; R117-D124 IonicContact NH2-OD1 3.71Å; R117-D124 PolarHBondContact NH2-OD1 2.62Å; R117-M127 HydrophobicContact CB-CE 4.32Å
118Q96.9Very high97.3Very high105 Ų10546.1 Ų46.149%0.49123%0.228SC..Hα-helixtrans-88.5-40.9-168.9-68-178.91.100113.6T114 W115 W121T114-Q118 HydrophobicContact CG2-CG 4.37Å; T114-Q118 WeakPolarHBondContact O-CB 3.24Å; T114-Q118 WeakPolarHBondContact O-CG 3.36Å; T114-Q118 PolarHBondContact O-N 3.43Å; W115-Q118 PolarHBondContact O-N 3.26Å; W115-Q118 VanDerWaalsContact O-N 3.17Å; Q118-W121 PolarHBondContact O-NE1 3.14Å
119E97.1Very high97.3Very high11 Ų1152.3 Ų52.35%0.05126%0.258CS..THydrogen-bonded Turntrans-102.7-26.7-171.5-61.4-65.412900112P87 S88 K89 W115 W121P87-E119 HydrophobicContact CB-CB 3.83Å; P87-E119 WeakPolarHBondContact CB-O 3.37Å; S88-E119 PolarHBondContact N-OE2 3.23Å; K89-E119 HydrophobicContact CB-CG 4.21Å; K89-E119 WeakPolarHBondContact CD-OE1 3.43Å; K89-E119 PolarHBondContact N-OE2 2.98Å; K89-E119 IonicContact NZ-OE1 3.91Å; W115-E119 VanDerWaalsContact CD1-CG 3.48Å; W115-E119 HydrophobicContact CD2-CB 4.37Å; W115-E119 HydrophobicContact CG-CB 4.14Å; W115-E119 HydrophobicContact CG-CG 4.24Å; W115-E119 WeakPolarHBondContact O-CB 3.16Å; W115-E119 PolarHBondContact O-N 2.77Å; E119-W121 VanDerWaalsContact O-CE3 3.26Å; E119-W121 WeakPolarHBondContact O-CH2 3.27Å; E119-W121 WeakPolarHBondContact O-CZ3 3.37Å
120L96.8Very high97.2Very high4 Ų454 Ų542%0.02127%0.268CS..SBendtrans-103.5-7.2172.2-69.8-170000114.3V66 P87 W115 C116 I122 V149 R152 F156V66-L120 HydrophobicContact CG1-CD2 4.12Å; P87-L120 HydrophobicContact CB-CD2 4.29Å; P87-L120 HydrophobicContact CG-CD2 4.07Å; W115-L120 HydrophobicContact CE3-CD1 4.35Å; W115-L120 HydrophobicContact CE3-CG 4.39Å; W115-L120 HydrophobicContact CH2-CD1 3.32Å; W115-L120 HydrophobicContact CH2-CD2 4.03Å; W115-L120 HydrophobicContact CH2-CG 3.48Å; W115-L120 VanDerWaalsContact CH2-CG 3.48Å; W115-L120 HydrophobicContact CZ2-CD1 4.25Å; W115-L120 HydrophobicContact CZ2-CD2 4.23Å; W115-L120 HydrophobicContact CZ2-CG 3.93Å; W115-L120 HydrophobicContact CZ3-CD1 3.37Å; W115-L120 HydrophobicContact CZ3-CG 3.74Å; W115-L120 PolarHBondContact O-N 3.46Å; C116-L120 CarbonylContact O-C 3.52Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; L120-I122 HydrophobicContact CB-CD1 4.25Å; L120-I122 HydrophobicContact CB-CG1 3.95Å; L120-I122 HydrophobicContact CD1-CD1 4.29Å; L120-I122 PolarHBondContact O-N 3.36Å; L120-V149 HydrophobicContact CD1-CB 4.21Å; L120-V149 HydrophobicContact CD1-CG1 3.89Å; L120-V149 HydrophobicContact CD1-CG2 4.1Å; L120-R152 HydrophobicContact CD1-CB 4.18Å; L120-R152 HydrophobicContact CD2-CB 4.08Å; L120-R152 PolarHBondContact O-NH1 2.89Å; L120-F156 HydrophobicContact CD2-CE2 4.13Å
121W97.2Very high97Very high104 Ų10454.2 Ų54.239%0.39427%0.265SS..  trans49.644.3-177.4-54.7-82.7000113K85 C116 R117 Q118 E119 R152K85-W121 HydrophobicContact CB-CD2 4.5Å; K85-W121 HydrophobicContact CB-CE3 3.89Å; K85-W121 HydrophobicContact CB-CH2 3.63Å; K85-W121 HydrophobicContact CB-CZ2 4.23Å; K85-W121 HydrophobicContact CB-CZ3 3.41Å; K85-W121 VanDerWaalsContact CB-CZ3 3.41Å; K85-W121 HydrophobicContact CD-CD2 4.14Å; K85-W121 HydrophobicContact CD-CE3 4.31Å; K85-W121 HydrophobicContact CD-CH2 4.47Å; K85-W121 HydrophobicContact CD-CZ2 4.27Å; K85-W121 HydrophobicContact CD-CZ3 4.47Å; C116-W121 PolarHBondContact O-N 2.74Å; R117-W121 WeakPolarHBondContact O-CA 3.05Å; Q118-W121 PolarHBondContact O-NE1 3.14Å; E119-W121 VanDerWaalsContact O-CE3 3.26Å; E119-W121 WeakPolarHBondContact O-CH2 3.27Å; E119-W121 WeakPolarHBondContact O-CZ3 3.37Å; W121-R152 PolarHBondContact O-NH1 2.96Å
122I97.2Very high96.9Very high5 Ų552.3 Ų52.33%0.02626%0.255CS..  trans-72.6131.9172.6-62.1-176.7000108.5C116 L120 L126 M127 E148 V149C116-I122 HydrophobicContact CB-CD1 4.1Å; C116-I122 PolarHBondContact O-N 3.22Å; C116-I122 VanDerWaalsContact O-N 3.13Å; L120-I122 HydrophobicContact CB-CD1 4.25Å; L120-I122 HydrophobicContact CB-CG1 3.95Å; L120-I122 HydrophobicContact CD1-CD1 4.29Å; L120-I122 PolarHBondContact O-N 3.36Å; I122-L126 HydrophobicContact CG2-CB 3.96Å; I122-M127 HydrophobicContact CB-SD 3.79Å; I122-M127 HydrophobicContact CG2-CG 4.35Å; I122-M127 HydrophobicContact CG2-SD 3.61Å; I122-E148 HydrophobicContact CD1-CB 4.29Å; I122-E148 HydrophobicContact CD1-CG 4.02Å; I122-E148 HydrophobicContact CG1-CG 3.96Å; I122-E148 HydrophobicContact CG2-CG 4.04Å; I122-V149 HydrophobicContact CD1-CB 4.4Å; I122-V149 HydrophobicContact CD1-CG2 3.46Å; I122-V149 VanDerWaalsContact CD1-CG2 3.46Å
123K95.6Very high96.7Very high151 Ų15152.3 Ų52.366%0.65726%0.255SS*.  trans-69142.9-178.6-65.2-177.6179.3176.50110V125 L126 M127K123-V125 HydrophobicContact CB-CG2 4.02Å; K123-V125 PolarHBondContact O-N 2.64Å; K123-L126 PolarHBondContact O-N 3.38Å; K123-M127 PolarHBondContact O-N 2.96Å
124D94.6Very high96.4Very high109 Ų10952.2 Ų52.258%0.58326%0.255SS*.G310 helixtrans-56.9-28.1-176.9-69.3-46.4000113.8R117 L126 M127R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact NE-OD1 2.73Å; R117-D124 PolarHBondContact NE-OD1 3.13Å; R117-D124 IonicContact NH2-OD1 3.71Å; R117-D124 PolarHBondContact NH2-OD1 2.62Å; D124-L126 PolarHBondContact O-N 2.97Å; D124-L126 VanDerWaalsContact O-N 3.16Å; D124-M127 WeakPolarHBondContact O-CB 3.45Å; D124-M127 PolarHBondContact O-N 3.22Å
125V94.6Very high96Very high129 Ų12954.7 Ų54.778%0.78226%0.263SS*.G310 helixtrans-63.3-17.5175.3-60.60000114.3K123K123-V125 HydrophobicContact CB-CG2 4.02Å; K123-V125 PolarHBondContact O-N 2.64Å
126L94.4Very high95.6Very high53 Ų5357.2 Ų57.228%0.27727%0.273SS..G310 helixtrans-108.5-1.1175.6-62.4177.2000112.3I122 K123 D124 C145 E148I122-L126 HydrophobicContact CG2-CB 3.96Å; K123-L126 PolarHBondContact O-N 3.38Å; D124-L126 PolarHBondContact O-N 2.97Å; D124-L126 VanDerWaalsContact O-N 3.16Å; L126-C145 VanDerWaalsContact O-CA 3.31Å; L126-C145 WeakPolarHBondContact O-CA 3.15Å; L126-C145 WeakPolarHBondContact O-CB 3.49Å; L126-E148 HydrophobicContact CD1-CB 4.13Å; L126-E148 HydrophobicContact CD1-CG 3.89Å
127M96.6Very high95.1Very high16 Ų1661 Ų618%0.07930%0.299CS..  trans-79.2150.8-179.6-66.7-63.2-62.700110.5I113 C116 R117 I122 K123 D124I113-M127 HydrophobicContact CB-CE 4.33Å; I113-M127 HydrophobicContact CG2-CE 3.62Å; I113-M127 WeakPolarHBondContact O-CE 3.33Å; C116-M127 HydrophobicContact CB-CE 3.85Å; C116-M127 HydrophobicContact CB-SD 4.08Å; R117-M127 HydrophobicContact CB-CE 4.32Å; I122-M127 HydrophobicContact CB-SD 3.79Å; I122-M127 HydrophobicContact CG2-CG 4.35Å; I122-M127 HydrophobicContact CG2-SD 3.61Å; K123-M127 PolarHBondContact O-N 2.96Å; D124-M127 WeakPolarHBondContact O-CB 3.45Å; D124-M127 PolarHBondContact O-N 3.22Å
128F97.8Very high94.8Very high6 Ų658.9 Ų58.93%0.02630%0.295CS..  trans-113.2162.917475.5-76.3000110.6V109 F112 I113 D132 L133 N141 F142 C145V109-F128 HydrophobicContact CG1-CE2 3.63Å; V109-F128 HydrophobicContact CG1-CZ 3.99Å; F112-F128 HydrophobicContact CD1-CE1 4.08Å; F112-F128 AromaticContact CD1-CZ 3.96Å; F112-F128 HydrophobicContact CD1-CZ 3.96Å; F112-F128 AromaticContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CE1 3.99Å; F112-F128 HydrophobicContact CE1-CZ 4.2Å; I113-F128 HydrophobicContact CD1-CD2 4.19Å; I113-F128 HydrophobicContact CD1-CE1 4.39Å; I113-F128 HydrophobicContact CD1-CE2 3.82Å; I113-F128 HydrophobicContact CD1-CZ 3.93Å; I113-F128 WeakPolarHBondContact CD1-O 3.37Å; I113-F128 HydrophobicContact CG1-CD1 4.24Å; I113-F128 HydrophobicContact CG1-CE1 3.7Å; I113-F128 HydrophobicContact CG1-CE2 3.99Å; I113-F128 HydrophobicContact CG1-CZ 3.55Å; F128-D132 HydrophobicContact CB-CB 4.24Å; F128-D132 HydrophobicContact CD2-CB 4.31Å; F128-L133 HydrophobicContact CD2-CB 4.41Å; F128-L133 HydrophobicContact CE2-CB 4.06Å; F128-L133 HydrophobicContact CE2-CD2 4.37Å; F128-N141 HydrophobicContact CB-CB 3.88Å; F128-F142 HydrophobicContact CB-CB 4.27Å; F128-F142 HydrophobicContact CD1-CD2 4.05Å; F128-F142 HydrophobicContact CD2-CB 4.11Å; F128-F142 AromaticContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CG 4.36Å; F128-F142 AromaticContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CE2 4.31Å; F128-F142 AromaticContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CE2 4.1Å; F128-F142 HydrophobicContact CG-CB 4.15Å; F128-F142 AromaticContact CG-CD2 4Å; F128-F142 HydrophobicContact CG-CD2 4Å; F128-F142 AromaticContact CZ-CD2 3.62Å; F128-F142 HydrophobicContact CZ-CD2 3.62Å; F128-F142 AromaticContact CZ-CE2 3.89Å; F128-F142 HydrophobicContact CZ-CE2 3.89Å; F128-C145 HydrophobicContact CD1-CB 3.64Å; F128-C145 HydrophobicContact CE1-CB 4.32Å
129E97.4Very high94.6Very high131 Ų13156.6 Ų56.661%0.61228%0.284SS*.  trans-99.6161.3175-61.9-172.216900111.8N131 D132E129-N131 PolarHBondContact O-N 3.03Å; E129-D132 PolarHBondContact N-OD2 2.8Å; E129-D132 VanDerWaalsContact O-CB 3.31Å; E129-D132 WeakPolarHBondContact O-CB 3.48Å; E129-D132 PolarHBondContact O-N 3.05Å
130T96.8Very high94.4Very high36 Ų3660.3 Ų60.322%0.22130%0.3CS..Hα-helixtrans-57.3-37.3178.750.10000112.5V109 I113 D132 L133 V134V109-T130 HydrophobicContact CB-CG2 4.25Å; V109-T130 HydrophobicContact CG1-CG2 4.04Å; I113-T130 HydrophobicContact CD1-CG2 3.97Å; T130-D132 VanDerWaalsContact C-N 3.33Å; T130-D132 PolarHBondContact O-N 2.76Å; T130-L133 PolarHBondContact O-N 2.82Å; T130-V134 WeakPolarHBondContact O-CB 3.42Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.33Å
131N94.9Very high94.3Very high53 Ų5362.7 Ų62.728%0.28331%0.313SS..Hα-helixtrans-71.9-24.9179.1-67.1-16.1000113.1E129 L133 E135 R136 C137E129-N131 PolarHBondContact O-N 3.03Å; N131-L133 PolarHBondContact O-N 3.39Å; N131-E135 HydrophobicContact CB-CB 4.33Å; N131-E135 HydrophobicContact CB-CG 4.45Å; N131-E135 CarbonylContact O-C 3.48Å; N131-E135 WeakPolarHBondContact O-CA 3.45Å; N131-E135 WeakPolarHBondContact O-CB 2.97Å; N131-E135 PolarHBondContact O-N 3.05Å; N131-R136 PolarHBondContact O-N 2.68Å; N131-C137 PolarHBondContact O-N 3.02Å
132D95.7Very high94.3Very high11 Ų1157.7 Ų57.76%0.05929%0.294CS..Hα-helixtrans-60.5-37.3176.2-68.7-19.2000111.1F128 E129 T130 R136 N138F128-D132 HydrophobicContact CB-CB 4.24Å; F128-D132 HydrophobicContact CD2-CB 4.31Å; E129-D132 PolarHBondContact N-OD2 2.8Å; E129-D132 VanDerWaalsContact O-CB 3.31Å; E129-D132 WeakPolarHBondContact O-CB 3.48Å; E129-D132 PolarHBondContact O-N 3.05Å; T130-D132 VanDerWaalsContact C-N 3.33Å; T130-D132 PolarHBondContact O-N 2.76Å; D132-R136 WeakPolarHBondContact O-CA 3.26Å; D132-N138 HydrophobicContact CB-CB 4.33Å; D132-N138 WeakPolarHBondContact CB-O 3.33Å; D132-N138 WeakPolarHBondContact OD1-CB 3.43Å
133L95.6Very high94.3Very high0 Ų057.5 Ų57.50%029%0.293CS..Hα-helixtrans-87.9-58.6174.8179.658.7000111.2M50 L53 L59 V109 F128 T130 N131 E135 R136 F142M50-L133 HydrophobicContact CE-CD1 3.69Å; M50-L133 HydrophobicContact SD-CD1 4.43Å; L53-L133 HydrophobicContact CB-CD1 4.39Å; L59-L133 HydrophobicContact CD1-CD2 3.64Å; V109-L133 HydrophobicContact CG1-CD2 4.17Å; V109-L133 HydrophobicContact CG2-CD2 3.82Å; F128-L133 HydrophobicContact CD2-CB 4.41Å; F128-L133 HydrophobicContact CE2-CB 4.06Å; F128-L133 HydrophobicContact CE2-CD2 4.37Å; T130-L133 PolarHBondContact O-N 2.82Å; N131-L133 PolarHBondContact O-N 3.39Å; L133-E135 PolarHBondContact O-N 2.92Å; L133-R136 PolarHBondContact O-N 3.38Å; L133-R136 PolarHBondContact O-NH1 2.95Å; L133-F142 HydrophobicContact CB-CD2 4.42Å; L133-F142 HydrophobicContact CD1-CD1 4Å; L133-F142 HydrophobicContact CD1-CD2 4.47Å; L133-F142 HydrophobicContact CD1-CE1 3.75Å; L133-F142 HydrophobicContact CD1-CE2 4.27Å; L133-F142 HydrophobicContact CD1-CG 4.34Å; L133-F142 HydrophobicContact CD1-CZ 3.89Å; L133-F142 HydrophobicContact CD2-CD2 4.31Å; L133-F142 HydrophobicContact CD2-CE2 3.84Å; L133-F142 HydrophobicContact CD2-CZ 4.04Å
134V91.9Very high94.3Very high13 Ų1352.6 Ų52.68%0.07927%0.274CS..Hα-helixtrans-70.5-31.8-167.9178.80000113.2R106 V109 T130R106-V134 HydrophobicContact CG-CB 4.34Å; R106-V134 HydrophobicContact CG-CG1 4.06Å; R106-V134 HydrophobicContact CG-CG2 4.07Å; V109-V134 HydrophobicContact CG2-CG2 4.26Å; T130-V134 WeakPolarHBondContact O-CB 3.42Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.33Å
135E89.4Confident94.4Very high100 Ų10047.4 Ų47.447%0.46725%0.246SC..SBendtrans-111.32.5-178.7-61.7-178.4174.100112.5R106 N131 L133 C137R106-E135 IonicContact CZ-OE1 3.48Å; R106-E135 IonicContact NE-OE1 2.9Å; R106-E135 IonicContact NH2-OE1 3.74Å; R106-E135 PolarHBondContact NH2-OE1 2.87Å; N131-E135 HydrophobicContact CB-CB 4.33Å; N131-E135 HydrophobicContact CB-CG 4.45Å; N131-E135 CarbonylContact O-C 3.48Å; N131-E135 WeakPolarHBondContact O-CA 3.45Å; N131-E135 WeakPolarHBondContact O-CB 2.97Å; N131-E135 PolarHBondContact O-N 3.05Å; L133-E135 PolarHBondContact O-N 2.92Å; E135-C137 PolarHBondContact O-N 3.02Å
136R91.4Very high94.6Very high61 Ų6141.4 Ų41.423%0.2321%0.209CC..  trans5830.5-177-47.1-63.3-176-133-8.4113.5M50 D51 E54 N131 D132 L133 N138M50-R136 VanDerWaalsContact CB-NH1 3.32Å; M50-R136 PolarHBondContact O-NH1 3.37Å; M50-R136 PolarHBondContact O-NH2 3.15Å; M50-R136 VanDerWaalsContact O-NH2 3.16Å; D51-R136 IonicContact OD1-CZ 2.84Å; D51-R136 IonicContact OD1-NE 2.73Å; D51-R136 IonicContact OD1-NH2 3.15Å; D51-R136 PolarHBondContact OD1-NH2 3.49Å; E54-R136 IonicContact OE2-CZ 3.48Å; E54-R136 IonicContact OE2-NH1 3.02Å; E54-R136 IonicContact OE2-NH2 2.82Å; E54-R136 PolarHBondContact OE2-NH2 2.99Å; N131-R136 PolarHBondContact O-N 2.68Å; D132-R136 WeakPolarHBondContact O-CA 3.26Å; L133-R136 PolarHBondContact O-N 3.38Å; L133-R136 PolarHBondContact O-NH1 2.95Å; R136-N138 VanDerWaalsContact C-N 3.28Å; R136-N138 PolarHBondContact O-N 2.97Å
137C88.5Confident94.8Very high81 Ų8139.3 Ų39.355%0.54720%0.199SC..SBendtrans-62.9-35.5-178.9-72.20000112.5N131 E135N131-C137 PolarHBondContact O-N 3.02Å; E135-C137 PolarHBondContact O-N 3.02Å
138N89.7Confident94.8Very high58 Ų5839.7 Ų39.731%0.3120%0.2SC..  trans-158.987.2-179.1-172.4-8.6000112.1D132 R136 K140 N141D132-N138 HydrophobicContact CB-CB 4.33Å; D132-N138 WeakPolarHBondContact CB-O 3.33Å; D132-N138 WeakPolarHBondContact OD1-CB 3.43Å; R136-N138 VanDerWaalsContact C-N 3.28Å; R136-N138 PolarHBondContact O-N 2.97Å; N138-K140 PolarHBondContact O-N 2.74Å; N138-K140 WeakPolarHBondContact OD1-CB 3.38Å; N138-K140 PolarHBondContact OD1-N 3.22Å; N138-N141 PolarHBondContact ND2-ND2 3.08Å; N138-N141 PolarHBondContact ND2-OD1 3.04Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 PolarHBondContact OD1-N 3.22Å
139E93.8Very high94.8Very high56 Ų5639.4 Ų39.426%0.26220%0.199SC..Hα-helixtrans-59.5-32.2179.8-48.4-164.3163.300112.8K29 M50 N141 F142 I143K29-E139 IonicContact NZ-OE2 2.73Å; K29-E139 PolarHBondContact NZ-OE2 3.25Å; M50-E139 HydrophobicContact CE-CB 4.02Å; M50-E139 HydrophobicContact CE-CG 3.92Å; M50-E139 HydrophobicContact CG-CG 4.36Å; M50-E139 HydrophobicContact SD-CB 4.23Å; M50-E139 HydrophobicContact SD-CG 4.36Å; E139-N141 PolarHBondContact O-N 3.4Å; E139-F142 PolarHBondContact O-N 2.73Å; E139-I143 HydrophobicContact CB-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CD1 3.41Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.85Å
140K92.7Very high94.9Very high89 Ų8933.2 Ų33.239%0.38717%0.17SC..Hα-helixtrans-59-47.8-176.9174.5-177.9-176.61770111.7Y24 L25 N138 F142 I143 L144Y24-K140 VanDerWaalsContact OH-CD 3.29Å; Y24-K140 WeakPolarHBondContact OH-CD 3.44Å; Y24-K140 VanDerWaalsContact OH-CE 3.29Å; Y24-K140 WeakPolarHBondContact OH-CE 3.31Å; L25-K140 HydrophobicContact CD1-CB 4.13Å; L25-K140 HydrophobicContact CD2-CB 3.9Å; L25-K140 HydrophobicContact CD2-CG 3.97Å; N138-K140 PolarHBondContact O-N 2.74Å; N138-K140 WeakPolarHBondContact OD1-CB 3.38Å; N138-K140 PolarHBondContact OD1-N 3.22Å; K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.26Å; K140-I143 PolarHBondContact O-N 2.83Å; K140-L144 HydrophobicContact CD-CD1 4.44Å; K140-L144 HydrophobicContact CG-CD1 3.85Å; K140-L144 HydrophobicContact CG-CG 4.24Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 2.91Å
141N94.8Very high94.8Very high54 Ų5434.4 Ų34.429%0.28917%0.171SC..Hα-helixtrans-61.1-42.1-178.8-74.91000110.9F128 N138 E139 C145F128-N141 HydrophobicContact CB-CB 3.88Å; N138-N141 PolarHBondContact ND2-ND2 3.08Å; N138-N141 PolarHBondContact ND2-OD1 3.04Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 PolarHBondContact OD1-N 3.22Å; E139-N141 PolarHBondContact O-N 3.4Å; N141-C145 VanDerWaalsContact O-CB 3.31Å; N141-C145 WeakPolarHBondContact O-CB 3.49Å; N141-C145 PolarHBondContact O-N 3.41Å
142F97.6Very high94.9Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-62.4-47.9177.3173.8-113.7000112.2F49 M50 L53 L59 F128 L133 E139 K140 L144 C145 L146F49-F142 HydrophobicContact CD1-CE1 4.41Å; F49-F142 HydrophobicContact CE1-CD1 4.3Å; F49-F142 AromaticContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CE1-CE1 3.71Å; F49-F142 HydrophobicContact CZ-CE1 4.43Å; M50-F142 HydrophobicContact CE-CD1 3.74Å; M50-F142 HydrophobicContact CE-CE1 4.37Å; M50-F142 HydrophobicContact CE-CG 4.41Å; M50-F142 HydrophobicContact SD-CD1 3.59Å; M50-F142 VanDerWaalsContact SD-CD1 3.59Å; M50-F142 HydrophobicContact SD-CE1 3.93Å; L53-F142 HydrophobicContact CB-CZ 4.18Å; L53-F142 HydrophobicContact CD1-CE1 3.95Å; L53-F142 HydrophobicContact CD1-CZ 3.8Å; L59-F142 HydrophobicContact CD1-CE2 3.75Å; L59-F142 HydrophobicContact CD1-CZ 4.09Å; L59-F142 HydrophobicContact CD2-CE2 4.18Å; L59-F142 HydrophobicContact CD2-CZ 4.04Å; F128-F142 HydrophobicContact CB-CB 4.27Å; F128-F142 HydrophobicContact CD1-CD2 4.05Å; F128-F142 HydrophobicContact CD2-CB 4.11Å; F128-F142 AromaticContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CD2 3.72Å; F128-F142 HydrophobicContact CD2-CG 4.36Å; F128-F142 AromaticContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CD2 3.87Å; F128-F142 HydrophobicContact CE1-CE2 4.31Å; F128-F142 AromaticContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CD2 3.54Å; F128-F142 HydrophobicContact CE2-CE2 4.1Å; F128-F142 HydrophobicContact CG-CB 4.15Å; F128-F142 AromaticContact CG-CD2 4Å; F128-F142 HydrophobicContact CG-CD2 4Å; F128-F142 AromaticContact CZ-CD2 3.62Å; F128-F142 HydrophobicContact CZ-CD2 3.62Å; F128-F142 AromaticContact CZ-CE2 3.89Å; F128-F142 HydrophobicContact CZ-CE2 3.89Å; L133-F142 HydrophobicContact CB-CD2 4.42Å; L133-F142 HydrophobicContact CD1-CD1 4Å; L133-F142 HydrophobicContact CD1-CD2 4.47Å; L133-F142 HydrophobicContact CD1-CE1 3.75Å; L133-F142 HydrophobicContact CD1-CE2 4.27Å; L133-F142 HydrophobicContact CD1-CG 4.34Å; L133-F142 HydrophobicContact CD1-CZ 3.89Å; L133-F142 HydrophobicContact CD2-CD2 4.31Å; L133-F142 HydrophobicContact CD2-CE2 3.84Å; L133-F142 HydrophobicContact CD2-CZ 4.04Å; E139-F142 PolarHBondContact O-N 2.73Å; K140-F142 VanDerWaalsContact C-N 3.27Å; K140-F142 PolarHBondContact O-N 3.26Å; F142-L144 PolarHBondContact O-N 3.48Å; F142-C145 PolarHBondContact O-N 2.92Å; F142-L146 HydrophobicContact CZ-CD2 4.41Å; F142-L146 PolarHBondContact O-N 2.79Å
143I96.7Very high94.9Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-60-47.8178.9-68.1159.4000111.1L25 M28 K29 L32 E139 K140 C145 L146 L147L25-I143 HydrophobicContact CB-CD1 4.33Å; L25-I143 HydrophobicContact CD2-CD1 4Å; M28-I143 HydrophobicContact CB-CG2 3.6Å; M28-I143 HydrophobicContact CG-CG2 4.39Å; M28-I143 HydrophobicContact SD-CG2 4.02Å; K29-I143 HydrophobicContact CD-CD1 3.91Å; K29-I143 HydrophobicContact CG-CD1 3.52Å; K29-I143 HydrophobicContact CG-CG1 3.95Å; L32-I143 HydrophobicContact CD1-CG2 3.92Å; E139-I143 HydrophobicContact CB-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CD1 3.41Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.85Å; K140-I143 PolarHBondContact O-N 2.83Å; I143-C145 PolarHBondContact O-N 3.1Å; I143-L146 PolarHBondContact O-N 3.25Å; I143-L147 HydrophobicContact CG2-CD1 4.3Å; I143-L147 PolarHBondContact O-N 3.22Å
144L95.2Very high94.9Very high49 Ų4934.7 Ų34.726%0.25717%0.168SC..Hα-helixtrans-64.5-39.7179.4-68179.2000112.1M28 K140 F142 L146 L147 E148M28-L144 HydrophobicContact CE-CD2 4.47Å; M28-L144 HydrophobicContact SD-CD2 4.35Å; K140-L144 HydrophobicContact CD-CD1 4.44Å; K140-L144 HydrophobicContact CG-CD1 3.85Å; K140-L144 HydrophobicContact CG-CG 4.24Å; K140-L144 WeakPolarHBondContact O-CB 3.38Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.09Å; K140-L144 PolarHBondContact O-N 2.91Å; F142-L144 PolarHBondContact O-N 3.48Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L144-L147 PolarHBondContact O-N 2.94Å; L144-E148 PolarHBondContact O-N 2.88Å; L144-E148 VanDerWaalsContact O-N 3.11Å
145C97.9Very high94.9Very high0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-60.1-45.8174.5-1670000111L126 F128 N141 F142 I143 E148 V149L126-C145 VanDerWaalsContact O-CA 3.31Å; L126-C145 WeakPolarHBondContact O-CA 3.15Å; L126-C145 WeakPolarHBondContact O-CB 3.49Å; F128-C145 HydrophobicContact CD1-CB 3.64Å; F128-C145 HydrophobicContact CE1-CB 4.32Å; N141-C145 VanDerWaalsContact O-CB 3.31Å; N141-C145 WeakPolarHBondContact O-CB 3.49Å; N141-C145 PolarHBondContact O-N 3.41Å; F142-C145 PolarHBondContact O-N 2.92Å; I143-C145 PolarHBondContact O-N 3.1Å; C145-E148 WeakPolarHBondContact O-CB 3.3Å; C145-E148 PolarHBondContact O-N 3.23Å; C145-E148 VanDerWaalsContact O-N 3.16Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.21Å
146L98.3Very high95.1Very high2 Ų233.9 Ų33.91%0.0116%0.161CC..Hα-helixtrans-69.1-35.7-177.5-167.563.4000112.7L32 W35 F49 L53 L59 F112 F142 I143 L144 E148 V149 A150L32-L146 HydrophobicContact CD1-CB 4.46Å; L32-L146 HydrophobicContact CD1-CD2 4.24Å; L32-L146 HydrophobicContact CD2-CD2 4.17Å; L32-L146 HydrophobicContact CD2-CG 4.16Å; W35-L146 HydrophobicContact CZ3-CD1 4.37Å; W35-L146 HydrophobicContact CZ3-CG 4.23Å; F49-L146 HydrophobicContact CZ-CD2 3.81Å; L53-L146 HydrophobicContact CD1-CD2 4.43Å; L59-L146 HydrophobicContact CD2-CD1 4.24Å; F112-L146 HydrophobicContact CZ-CD1 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.41Å; F142-L146 PolarHBondContact O-N 2.79Å; I143-L146 PolarHBondContact O-N 3.25Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.98Å; L146-V149 HydrophobicContact CD1-CB 4.39Å; L146-V149 WeakPolarHBondContact O-CB 3.4Å; L146-V149 PolarHBondContact O-N 2.88Å; L146-A150 PolarHBondContact O-N 3.41Å
147L97.4Very high95.1Very high10 Ų1033.6 Ų33.65%0.05218%0.178CC..Hα-helixtrans-60.3-40.6170-77169.5000111.5M28 L32 I143 L144 A150 R151 L163 I164M28-L147 HydrophobicContact CB-CD1 4.42Å; M28-L147 HydrophobicContact CE-CD1 4.19Å; M28-L147 HydrophobicContact CG-CD1 4.11Å; M28-L147 HydrophobicContact SD-CD1 3.87Å; L32-L147 HydrophobicContact CD1-CD2 4.46Å; L32-L147 HydrophobicContact CD1-CG 4.23Å; L32-L147 HydrophobicContact CD2-CD2 3.91Å; L32-L147 HydrophobicContact CD2-CG 4.3Å; L32-L147 HydrophobicContact CG-CD2 4.16Å; L32-L147 HydrophobicContact CG-CG 4.46Å; I143-L147 HydrophobicContact CG2-CD1 4.3Å; I143-L147 PolarHBondContact O-N 3.22Å; L144-L147 PolarHBondContact O-N 2.94Å; L147-A150 PolarHBondContact O-N 2.67Å; L147-R151 WeakPolarHBondContact O-CB 3.35Å; L147-R151 PolarHBondContact O-N 3.37Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å; L147-L163 HydrophobicContact CD2-CD2 4.15Å; L147-I164 HydrophobicContact CB-CD1 4.35Å; L147-I164 HydrophobicContact CD2-CD1 4.18Å; L147-I164 HydrophobicContact CD2-CG1 4.33Å
148E97.5Very high95.3Very high23 Ų2330.7 Ų30.711%0.10716%0.157CC..Hα-helixtrans-68.1-38.2175.5-175.461.1-168.100112.1I122 L126 L144 C145 L146 A150 R151 R152I122-E148 HydrophobicContact CD1-CB 4.29Å; I122-E148 HydrophobicContact CD1-CG 4.02Å; I122-E148 HydrophobicContact CG1-CG 3.96Å; I122-E148 HydrophobicContact CG2-CG 4.04Å; L126-E148 HydrophobicContact CD1-CB 4.13Å; L126-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 PolarHBondContact O-N 2.88Å; L144-E148 VanDerWaalsContact O-N 3.11Å; C145-E148 WeakPolarHBondContact O-CB 3.3Å; C145-E148 PolarHBondContact O-N 3.23Å; C145-E148 VanDerWaalsContact O-N 3.16Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.98Å; E148-A150 VanDerWaalsContact C-N 3.29Å; E148-A150 PolarHBondContact O-N 3.03Å; E148-R151 WeakPolarHBondContact O-CB 3.3Å; E148-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact OE2-CD 3.42Å; E148-R151 IonicContact OE2-NE 2.62Å; E148-R151 PolarHBondContact OE2-NE 3.1Å; E148-R152 WeakPolarHBondContact O-CG 3.38Å; E148-R152 PolarHBondContact O-N 3.48Å; E148-R152 IonicContact OE1-CZ 3.52Å; E148-R152 IonicContact OE1-NE 3.71Å; E148-R152 PolarHBondContact OE1-NE 3.28Å; E148-R152 IonicContact OE1-NH2 3.84Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å
149V98.4Very high95.6Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-57.1-46.1171.4171.10000110.2F112 W115 C116 L120 I122 C145 L146 R152 G153F112-V149 HydrophobicContact CZ-CG2 4.15Å; W115-V149 HydrophobicContact CZ3-CG1 4.31Å; C116-V149 VanDerWaalsContact SG-CG2 3.59Å; L120-V149 HydrophobicContact CD1-CB 4.21Å; L120-V149 HydrophobicContact CD1-CG1 3.89Å; L120-V149 HydrophobicContact CD1-CG2 4.1Å; I122-V149 HydrophobicContact CD1-CB 4.4Å; I122-V149 HydrophobicContact CD1-CG2 3.46Å; I122-V149 VanDerWaalsContact CD1-CG2 3.46Å; C145-V149 WeakPolarHBondContact O-CG2 3.33Å; C145-V149 PolarHBondContact O-N 3.21Å; L146-V149 HydrophobicContact CD1-CB 4.39Å; L146-V149 WeakPolarHBondContact O-CB 3.4Å; L146-V149 PolarHBondContact O-N 2.88Å; V149-R152 PolarHBondContact O-N 3.48Å; V149-G153 PolarHBondContact O-N 2.9Å
150A97.8Very high95.7Very high1 Ų127.2 Ų27.21%0.00814%0.14CC..Hα-helixtrans-64.7-41.2178.700000112.5W35 L146 L147 E148 R152 G153 S154 P161W35-A150 HydrophobicContact CH2-CB 3.57Å; W35-A150 HydrophobicContact CZ2-CB 3.6Å; W35-A150 HydrophobicContact CZ3-CB 4.14Å; L146-A150 PolarHBondContact O-N 3.41Å; L147-A150 PolarHBondContact O-N 2.67Å; E148-A150 VanDerWaalsContact C-N 3.29Å; E148-A150 PolarHBondContact O-N 3.03Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.84Å; A150-G153 PolarHBondContact O-N 3.12Å; A150-S154 PolarHBondContact O-N 2.91Å; A150-P161 VanDerWaalsContact CB-CD 3.44Å; A150-P161 HydrophobicContact CB-CG 3.7Å
151R96Very high95.8Very high62 Ų6223 Ų2323%0.23412%0.122CC..Hα-helixtrans-59.6-40.6173.6-171.9-164.5-56.1-70.1-9.3112.2L147 E148 S154 I164 E167L147-R151 WeakPolarHBondContact O-CB 3.35Å; L147-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact O-CB 3.3Å; E148-R151 PolarHBondContact O-N 3.37Å; E148-R151 WeakPolarHBondContact OE2-CD 3.42Å; E148-R151 IonicContact OE2-NE 2.62Å; E148-R151 PolarHBondContact OE2-NE 3.1Å; R151-S154 PolarHBondContact O-OG 3.3Å; R151-I164 HydrophobicContact CB-CD1 4.29Å; R151-I164 HydrophobicContact CB-CG2 4.26Å; R151-I164 HydrophobicContact CG-CG2 4.29Å; R151-E167 IonicContact CZ-OE2 2.66Å; R151-E167 IonicContact NH1-OE2 2.92Å; R151-E167 PolarHBondContact NH1-OE2 2.86Å; R151-E167 VanDerWaalsContact NH2-CD 3.34Å; R151-E167 IonicContact NH2-OE1 2.81Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.82Å; R151-E167 PolarHBondContact NH2-OE2 3.48Å
152R96.1Very high95.8Very high67 Ų6722.1 Ų22.125%0.25312%0.117SC..Hα-helixtrans-71.1-43.5175.9-63.6-65.3171.4937.8111.3L120 W121 E148 V149 A150 S154 K155L120-R152 HydrophobicContact CD1-CB 4.18Å; L120-R152 HydrophobicContact CD2-CB 4.08Å; L120-R152 PolarHBondContact O-NH1 2.89Å; W121-R152 PolarHBondContact O-NH1 2.96Å; E148-R152 WeakPolarHBondContact O-CG 3.38Å; E148-R152 PolarHBondContact O-N 3.48Å; E148-R152 IonicContact OE1-CZ 3.52Å; E148-R152 IonicContact OE1-NE 3.71Å; E148-R152 PolarHBondContact OE1-NE 3.28Å; E148-R152 IonicContact OE1-NH2 3.84Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å; V149-R152 PolarHBondContact O-N 3.48Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.84Å; R152-S154 VanDerWaalsContact C-N 3.28Å; R152-S154 PolarHBondContact O-N 2.78Å; R152-K155 WeakPolarHBondContact O-CB 3.49Å; R152-K155 PolarHBondContact O-N 3.35Å
153G96.1Very high95.6Very high2 Ų222.1 Ų22.12%0.02112%0.117CC..Hα-helixtrans-61-34.8178.800000113.2V149 A150 K155 F156 M158V149-G153 PolarHBondContact O-N 2.9Å; A150-G153 PolarHBondContact O-N 3.12Å; G153-K155 PolarHBondContact O-N 2.73Å; G153-F156 PolarHBondContact O-N 3.39Å; G153-M158 WeakPolarHBondContact O-CB 3.27Å; G153-M158 PolarHBondContact O-N 2.71Å
154S95.4Very high95.5Very high1 Ų122.1 Ų22.11%0.00712%0.117CC..Hα-helixtrans-64.2-27.7179.377.90000113.4A150 R151 R152 F156 G157 M158 Q199A150-S154 PolarHBondContact O-N 2.91Å; R151-S154 PolarHBondContact O-OG 3.3Å; R152-S154 VanDerWaalsContact C-N 3.28Å; R152-S154 PolarHBondContact O-N 2.78Å; S154-F156 PolarHBondContact O-N 3.06Å; S154-G157 PolarHBondContact O-N 3.32Å; S154-M158 WeakPolarHBondContact CA-O 3.42Å; S154-Q199 VanDerWaalsContact CB-NE2 3.28Å; S154-Q199 PolarHBondContact OG-NE2 3.49Å
155K92.4Very high95.4Very high79 Ų7920.4 Ų20.434%0.34311%0.107SC..THydrogen-bonded Turntrans-68-14.1174.5-56-48.1-176-162.80113.1M84 R152 G153 E168M84-K155 HydrophobicContact CE-CB 3.8Å; R152-K155 WeakPolarHBondContact O-CB 3.49Å; R152-K155 PolarHBondContact O-N 3.35Å; G153-K155 PolarHBondContact O-N 2.73Å; K155-E168 IonicContact NZ-OE1 3.6Å; K155-E168 PolarHBondContact NZ-OE1 3.24Å
156F92.9Very high95.1Very high16 Ų1620.5 Ų20.57%0.0711%0.108CC..THydrogen-bonded Turntrans-103.114.8173.8-44.2-44.2000112.3V66 A69 A70 F73 M84 L86 P87 L120 G153 S154V66-F156 HydrophobicContact CG1-CD2 3.97Å; V66-F156 HydrophobicContact CG1-CE2 4.12Å; A69-F156 HydrophobicContact CB-CB 4.5Å; A70-F156 HydrophobicContact CB-CB 4.31Å; A70-F156 HydrophobicContact CB-CD1 4.31Å; A70-F156 HydrophobicContact CB-CD2 3.92Å; A70-F156 HydrophobicContact CB-CE2 4.34Å; A70-F156 HydrophobicContact CB-CG 3.91Å; F73-F156 HydrophobicContact CB-CB 4.41Å; M84-F156 HydrophobicContact CE-CD1 4.29Å; M84-F156 HydrophobicContact CE-CE1 4.04Å; L86-F156 HydrophobicContact CD2-CD1 3.68Å; L86-F156 HydrophobicContact CD2-CE1 3.51Å; L86-F156 HydrophobicContact CD2-CZ 4.36Å; P87-F156 VanDerWaalsContact CD-CZ 3.48Å; P87-F156 HydrophobicContact CG-CD2 4.42Å; P87-F156 HydrophobicContact CG-CE2 3.77Å; P87-F156 HydrophobicContact CG-CZ 4.25Å; L120-F156 HydrophobicContact CD2-CE2 4.13Å; G153-F156 PolarHBondContact O-N 3.39Å; S154-F156 PolarHBondContact O-N 3.06Å
157G91.1Very high94.9Very high56 Ų5621 Ų2158%0.57711%0.11SC*.THydrogen-bonded Turntrans86.84.2177.400000115.3S154S154-G157 PolarHBondContact O-N 3.32Å
158M94.8Very high94.6Very high20 Ų2020.9 Ų20.910%0.09911%0.109CC..PPolyproline II helixtrans-68147.8172.5-62.8-172.167.900111.3L39 T65 V66 A69 G153 S154 A160L39-M158 HydrophobicContact CD1-CE 4.22Å; T65-M158 HydrophobicContact CG2-CE 3.95Å; V66-M158 VanDerWaalsContact CA-SD 3.58Å; V66-M158 HydrophobicContact CB-SD 3.96Å; V66-M158 HydrophobicContact CG1-SD 4.33Å; V66-M158 HydrophobicContact CG2-CE 4.08Å; V66-M158 HydrophobicContact CG2-SD 3.48Å; V66-M158 WeakPolarHBondContact CG2-SD 3.37Å; A69-M158 HydrophobicContact CB-CG 3.56Å; A69-M158 HydrophobicContact CB-SD 3.97Å; G153-M158 WeakPolarHBondContact O-CB 3.27Å; G153-M158 PolarHBondContact O-N 2.71Å; S154-M158 WeakPolarHBondContact CA-O 3.42Å; M158-A160 PolarHBondContact O-N 2.89Å
159L94.1Very high94.3Very high34 Ų3422.5 Ų22.518%0.17812%0.117CC..PPolyproline II helixtrans-59.4132.5169.6-176.668000109.1W35 T38 L39 K200W35-L159 PolarHBondContact NE1-O 3.28Å; T38-L159 HydrophobicContact CG2-CD2 3.48Å; T38-L159 VanDerWaalsContact CG2-CD2 3.48Å; L39-L159 HydrophobicContact CD2-CB 4.08Å; L159-K200 HydrophobicContact CD1-CB 4.4Å; L159-K200 VanDerWaalsContact CD1-O 3.31Å; L159-K200 WeakPolarHBondContact CD1-O 3.47Å
160A95.8Very high94Very high6 Ų622.7 Ų22.75%0.0512%0.118CC..PPolyproline II helixtrans-96.9152.3174.700000111M158 I164 Q165M158-A160 PolarHBondContact O-N 2.89Å; A160-I164 HydrophobicContact CB-CB 4.12Å; A160-I164 HydrophobicContact CB-CG2 4.12Å; A160-Q165 HydrophobicContact CB-CG 4.19Å; A160-Q165 PolarHBondContact O-NE2 3.36Å
161P95.7Very high93.6Very high2 Ų227.3 Ų27.31%0.01314%0.139CC..PPolyproline II helixtrans-55.8154.8165.9-18.527.3000111.2D31 L32 W35 A150 L163 I164 Q165D31-P161 WeakPolarHBondContact OD2-CB 3.41Å; L32-P161 HydrophobicContact CD2-CG 4.03Å; W35-P161 HydrophobicContact CB-CB 4.16Å; W35-P161 HydrophobicContact CB-CG 4.03Å; W35-P161 HydrophobicContact CD2-CG 3.68Å; W35-P161 HydrophobicContact CE3-CG 4.1Å; W35-P161 HydrophobicContact CG-CB 4.23Å; W35-P161 HydrophobicContact CG-CG 3.64Å; A150-P161 VanDerWaalsContact CB-CD 3.44Å; A150-P161 HydrophobicContact CB-CG 3.7Å; P161-L163 PolarHBondContact O-N 2.93Å; P161-I164 HydrophobicContact CG-CG1 4.38Å; P161-I164 PolarHBondContact O-N 3.3Å; P161-I164 VanDerWaalsContact O-N 3.15Å; P161-Q165 PolarHBondContact O-N 3.45Å
162M94.2Very high93.4Very high34 Ų3427.3 Ų27.317%0.16714%0.142CC..Hα-helixtrans-62.4-34.7-175.7-171.9162.257.100111.4D31 I164 Q165 L166 C204 L250 R251D31-M162 VanDerWaalsContact OD1-CB 3.23Å; D31-M162 WeakPolarHBondContact OD1-CB 3.36Å; D31-M162 PolarHBondContact OD1-N 3.48Å; D31-M162 PolarHBondContact OD2-N 3.43Å; D31-M162 VanDerWaalsContact OD2-N 3.14Å; M162-I164 VanDerWaalsContact C-N 3.29Å; M162-I164 PolarHBondContact O-N 3.3Å; M162-Q165 WeakPolarHBondContact O-CB 3.21Å; M162-Q165 PolarHBondContact O-N 2.99Å; M162-Q165 VanDerWaalsContact O-N 3.13Å; M162-L166 HydrophobicContact CG-CD1 4.39Å; M162-L166 HydrophobicContact CG-CG 4.4Å; M162-L166 VanDerWaalsContact O-CG 3.29Å; M162-L166 WeakPolarHBondContact O-CG 3.49Å; M162-L166 PolarHBondContact O-N 3Å; M162-C204 PolarHBondContact SD-SG 3.15Å; M162-L250 HydrophobicContact CB-CD1 3.82Å; M162-L250 HydrophobicContact CE-CD1 3.71Å; M162-L250 HydrophobicContact CE-CG 4.18Å; M162-L250 HydrophobicContact CG-CD1 3.97Å; M162-R251 HydrophobicContact CE-CB 4.26Å; M162-R251 HydrophobicContact CE-CG 3.29Å; M162-R251 VanDerWaalsContact CE-N 3.29Å
163L93.6Very high93.1Very high0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-58.9-40.4177.5-171.365.2000112.7M28 D31 L147 P161 L166 E167 L250 M255 W262M28-L163 HydrophobicContact CE-CD2 3.96Å; M28-L163 HydrophobicContact CG-CD2 3.9Å; D31-L163 VanDerWaalsContact OD2-CB 3.27Å; D31-L163 WeakPolarHBondContact OD2-CB 3.27Å; D31-L163 PolarHBondContact OD2-N 3.41Å; L147-L163 HydrophobicContact CD1-CD2 3.96Å; L147-L163 HydrophobicContact CD2-CD2 4.15Å; P161-L163 PolarHBondContact O-N 2.93Å; L163-L166 PolarHBondContact O-N 3.28Å; L163-E167 WeakPolarHBondContact O-CG 3.36Å; L163-E167 PolarHBondContact O-N 3.29Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L163-L250 HydrophobicContact CB-CD1 3.99Å; L163-L250 HydrophobicContact CB-CD2 4.5Å; L163-L250 HydrophobicContact CD1-CD1 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.14Å; L163-M255 HydrophobicContact CD1-CE 4.35Å; L163-W262 HydrophobicContact CD1-CB 4.49Å; L163-W262 HydrophobicContact CD1-CD2 3.65Å; L163-W262 HydrophobicContact CD1-CE3 4.31Å; L163-W262 HydrophobicContact CD1-CG 3.75Å; L163-W262 HydrophobicContact CD1-CZ2 4.12Å; L163-W262 HydrophobicContact CG-CG 4.42Å
164I94.6Very high92.7Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-70.8-38177.9-57.7-57.2000110.7L147 R151 A160 P161 M162 L166 E167 E168L147-I164 HydrophobicContact CB-CD1 4.35Å; L147-I164 HydrophobicContact CD2-CD1 4.18Å; L147-I164 HydrophobicContact CD2-CG1 4.33Å; R151-I164 HydrophobicContact CB-CD1 4.29Å; R151-I164 HydrophobicContact CB-CG2 4.26Å; R151-I164 HydrophobicContact CG-CG2 4.29Å; A160-I164 HydrophobicContact CB-CB 4.12Å; A160-I164 HydrophobicContact CB-CG2 4.12Å; P161-I164 HydrophobicContact CG-CG1 4.38Å; P161-I164 PolarHBondContact O-N 3.3Å; P161-I164 VanDerWaalsContact O-N 3.15Å; M162-I164 VanDerWaalsContact C-N 3.29Å; M162-I164 PolarHBondContact O-N 3.3Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 2.91Å; I164-E167 VanDerWaalsContact CD1-OE2 3.27Å; I164-E167 WeakPolarHBondContact CD1-OE2 3.5Å; I164-E167 WeakPolarHBondContact O-CB 3.48Å; I164-E167 PolarHBondContact O-N 3.39Å; I164-E168 PolarHBondContact O-N 2.92Å; I164-E168 VanDerWaalsContact O-N 3.13Å
165Q94.1Very high92.4Very high13 Ų1334.3 Ų34.36%0.06117%0.173CC..Hα-helixtrans-62.6-41.3175.5-62.1176.345.500111.4A160 P161 M162 E167 E168 E169 R201A160-Q165 HydrophobicContact CB-CG 4.19Å; A160-Q165 PolarHBondContact O-NE2 3.36Å; P161-Q165 PolarHBondContact O-N 3.45Å; M162-Q165 WeakPolarHBondContact O-CB 3.21Å; M162-Q165 PolarHBondContact O-N 2.99Å; M162-Q165 VanDerWaalsContact O-N 3.13Å; Q165-E167 VanDerWaalsContact C-N 3.31Å; Q165-E167 PolarHBondContact O-N 2.91Å; Q165-E168 PolarHBondContact O-N 3.28Å; Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 PolarHBondContact O-N 3.22Å; Q165-R201 VanDerWaalsContact OE1-CA 3.24Å
166L92.1Very high92.1Very high3 Ų335.2 Ų35.22%0.01618%0.182CC..Hα-helixtrans-64.8-34176.1-66.8173.6000112.2M162 L163 I164 I170 R248 L250 W262M162-L166 HydrophobicContact CG-CD1 4.39Å; M162-L166 HydrophobicContact CG-CG 4.4Å; M162-L166 VanDerWaalsContact O-CG 3.29Å; M162-L166 WeakPolarHBondContact O-CG 3.49Å; M162-L166 PolarHBondContact O-N 3Å; L163-L166 PolarHBondContact O-N 3.28Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 2.91Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.15Å; L166-R248 HydrophobicContact CB-CG 4.5Å; L166-R248 HydrophobicContact CD1-CB 3.89Å; L166-R248 HydrophobicContact CD2-CB 4.02Å; L166-R248 HydrophobicContact CD2-CG 3.97Å; L166-R248 HydrophobicContact CG-CB 4.41Å; L166-L250 HydrophobicContact CD1-CB 4.35Å; L166-L250 HydrophobicContact CD1-CD1 3.96Å; L166-W262 HydrophobicContact CB-CH2 3.98Å; L166-W262 HydrophobicContact CB-CZ2 3.94Å
167E92.7Very high91.7Very high13 Ų1338.3 Ų38.36%0.06120%0.197CC..Hα-helixtrans-65-46.6174.5-71.1166.6163.200111.8R151 L163 I164 Q165 E169 I170 E171 W262R151-E167 IonicContact CZ-OE2 2.66Å; R151-E167 IonicContact NH1-OE2 2.92Å; R151-E167 PolarHBondContact NH1-OE2 2.86Å; R151-E167 VanDerWaalsContact NH2-CD 3.34Å; R151-E167 IonicContact NH2-OE1 2.81Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.82Å; R151-E167 PolarHBondContact NH2-OE2 3.48Å; L163-E167 WeakPolarHBondContact O-CG 3.36Å; L163-E167 PolarHBondContact O-N 3.29Å; L163-E167 VanDerWaalsContact O-N 3.14Å; I164-E167 VanDerWaalsContact CD1-OE2 3.27Å; I164-E167 WeakPolarHBondContact CD1-OE2 3.5Å; I164-E167 WeakPolarHBondContact O-CB 3.48Å; I164-E167 PolarHBondContact O-N 3.39Å; Q165-E167 VanDerWaalsContact C-N 3.31Å; Q165-E167 PolarHBondContact O-N 2.91Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-I170 PolarHBondContact O-N 2.9Å; E167-E171 WeakPolarHBondContact O-CB 3.42Å; E167-E171 WeakPolarHBondContact O-CG 3.18Å; E167-E171 PolarHBondContact O-N 3.24Å; E167-W262 HydrophobicContact CG-CZ2 3.65Å; E167-W262 PolarHBondContact OE1-NE1 3.42Å
168E91.3Very high91.2Very high7 Ų741.9 Ų41.93%0.03320%0.196CC..Hα-helixtrans-64.9-40.1179.5-69.2172.3158.200111.2K155 I164 Q165 I170 E171 E172 Q199K155-E168 IonicContact NZ-OE1 3.6Å; K155-E168 PolarHBondContact NZ-OE1 3.24Å; I164-E168 PolarHBondContact O-N 2.92Å; I164-E168 VanDerWaalsContact O-N 3.13Å; Q165-E168 PolarHBondContact O-N 3.28Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-E171 PolarHBondContact O-N 3.43Å; E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 3.06Å; E168-Q199 PolarHBondContact OE1-NE2 3.43Å; E168-Q199 PolarHBondContact OE1-OE1 3.25Å; E168-Q199 VanDerWaalsContact OE1-OE1 3.05Å; E168-Q199 PolarHBondContact OE2-NE2 2.98Å; E168-Q199 PolarHBondContact OE2-OE1 3.48Å
169E91.7Very high90.4Very high56 Ų5646.3 Ų46.326%0.26222%0.217SC..Hα-helixtrans-58.2-46.1172.1-175.3-162.2129.200111.5Q165 E167 E172 E173 R248Q165-E169 WeakPolarHBondContact O-CB 3.48Å; Q165-E169 PolarHBondContact O-N 3.22Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E169-E172 PolarHBondContact O-N 2.97Å; E169-E173 WeakPolarHBondContact O-CB 2.93Å; E169-E173 WeakPolarHBondContact O-CG 3.24Å; E169-E173 PolarHBondContact O-N 3.47Å; E169-R248 IonicContact OE1-CZ 2.84Å; E169-R248 VanDerWaalsContact OE1-CZ 3.26Å; E169-R248 IonicContact OE1-NE 3.26Å; E169-R248 PolarHBondContact OE1-NE 2.99Å; E169-R248 IonicContact OE1-NH2 2.89Å; E169-R248 PolarHBondContact OE1-NH2 3.18Å
170I91.1Very high89.4Confident5 Ų548.7 Ų48.73%0.02624%0.236CC..Hα-helixtrans-65.7-40.3177.3-70.9164.9000111.1L166 E167 E168 E173 I174 F246 R248 R257 W262L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.15Å; E167-I170 PolarHBondContact O-N 2.9Å; E168-I170 PolarHBondContact O-N 3.3Å; I170-E173 PolarHBondContact O-N 3.24Å; I170-I174 HydrophobicContact CG2-CD1 3.68Å; I170-I174 HydrophobicContact CG2-CG1 4.34Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.48Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 2.97Å; I170-F246 HydrophobicContact CD1-CB 3.72Å; I170-F246 HydrophobicContact CD1-CG 4.41Å; I170-F246 HydrophobicContact CG1-CB 4.02Å; I170-F246 HydrophobicContact CG1-CD1 4.25Å; I170-F246 HydrophobicContact CG1-CG 4.28Å; I170-F246 HydrophobicContact CG2-CB 4.16Å; I170-F246 HydrophobicContact CG2-CD1 3.81Å; I170-F246 HydrophobicContact CG2-CD2 3.9Å; I170-F246 HydrophobicContact CG2-CE1 4.16Å; I170-F246 HydrophobicContact CG2-CE2 4.28Å; I170-F246 HydrophobicContact CG2-CG 3.68Å; I170-F246 HydrophobicContact CG2-CZ 4.4Å; I170-R248 HydrophobicContact CD1-CG 4.14Å; I170-R257 HydrophobicContact CD1-CB 4.07Å; I170-R257 HydrophobicContact CD1-CG 4.33Å; I170-W262 HydrophobicContact CD1-CH2 3.39Å; I170-W262 HydrophobicContact CD1-CZ2 3.91Å; I170-W262 HydrophobicContact CD1-CZ3 4.26Å
171E90.8Very high87.7Confident98 Ų9853 Ų5346%0.45827%0.265SS..Hα-helixtrans-63.9-39.8177.7-75.5175-171.600112.1E167 E168 I174 R175E167-E171 WeakPolarHBondContact O-CB 3.42Å; E167-E171 WeakPolarHBondContact O-CG 3.18Å; E167-E171 PolarHBondContact O-N 3.24Å; E168-E171 PolarHBondContact O-N 3.43Å; E171-I174 PolarHBondContact O-N 3.31Å; E171-R175 WeakPolarHBondContact O-CB 2.83Å; E171-R175 PolarHBondContact O-N 3.3Å
172E90.3Very high85.9Confident62 Ų6259.5 Ų59.529%0.2930%0.295SS..Hα-helixtrans-62.6-50.3171.7-75.2169.5-176.700111E168 E169 I174 R175 D176 R201E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 WeakPolarHBondContact O-CG 3.37Å; E168-E172 PolarHBondContact O-N 3.06Å; E169-E172 PolarHBondContact O-N 2.97Å; E172-I174 PolarHBondContact O-N 3.21Å; E172-R175 WeakPolarHBondContact O-CB 3.07Å; E172-R175 PolarHBondContact O-N 2.97Å; E172-D176 PolarHBondContact O-N 3.32Å; E172-R201 IonicContact OE1-CZ 2.9Å; E172-R201 IonicContact OE1-NH1 2.86Å; E172-R201 IonicContact OE1-NH2 3.73Å; E172-R201 PolarHBondContact OE1-NH2 3.33Å; E172-R201 IonicContact OE2-CZ 3.75Å; E172-R201 IonicContact OE2-NH1 2.77Å; E172-R201 PolarHBondContact OE2-NH1 2.98Å; E172-R201 IonicContact OE2-NH2 2.87Å; E172-R201 PolarHBondContact OE2-NH2 3.49Å; E172-R201 VanDerWaalsContact OE2-NH2 3.14Å
173E90.2Very high83.6Confident49 Ų4962.5 Ų62.523%0.22932%0.319CS..Hα-helixtrans-58.7-33.9177.1-80.7-175-175.300113.9E169 I170 Q177 K235 R248E169-E173 WeakPolarHBondContact O-CB 2.93Å; E169-E173 WeakPolarHBondContact O-CG 3.24Å; E169-E173 PolarHBondContact O-N 3.47Å; I170-E173 PolarHBondContact O-N 3.24Å; E173-Q177 WeakPolarHBondContact O-CB 2.71Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 2.66Å; E173-K235 WeakPolarHBondContact OE2-CE 3.31Å; E173-K235 IonicContact OE2-NZ 3.32Å; E173-K235 PolarHBondContact OE2-NZ 2.92Å; E173-R248 IonicContact OE1-CZ 2.77Å; E173-R248 IonicContact OE1-NH2 3.95Å; E173-R248 PolarHBondContact OE1-NH2 3.05Å; E173-R248 IonicContact OE2-CZ 2.57Å; E173-R248 IonicContact OE2-NH2 3.99Å; E173-R248 PolarHBondContact OE2-NH2 3.5Å
174I88.2Confident81.6Confident57 Ų5768.6 Ų68.629%0.29236%0.356SS..Hα-helixtrans-71.9-38.5175.8-71.9165.2000110.5I170 E171 E172 K178 F246I170-I174 HydrophobicContact CG2-CD1 3.68Å; I170-I174 HydrophobicContact CG2-CG1 4.34Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.48Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 2.97Å; E171-I174 PolarHBondContact O-N 3.31Å; E172-I174 PolarHBondContact O-N 3.21Å; I174-K178 HydrophobicContact CG2-CD 4.49Å; I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.13Å; I174-F246 HydrophobicContact CD1-CE2 3.81Å; I174-F246 HydrophobicContact CD1-CZ 3.79Å; I174-F246 HydrophobicContact CG1-CE1 4.05Å; I174-F246 HydrophobicContact CG1-CE2 4Å; I174-F246 HydrophobicContact CG1-CZ 3.43Å; I174-F246 VanDerWaalsContact CG1-CZ 3.43Å
175R88.8Confident79.3Confident111 Ų11176.2 Ų76.242%0.41939%0.392SS..Hα-helixtrans-65.4-52.4178.5-173.7-167.7-52.8-111.3-1.3110.9E171 E172 Q177 K178 E179E171-R175 WeakPolarHBondContact O-CB 2.83Å; E171-R175 PolarHBondContact O-N 3.3Å; E172-R175 WeakPolarHBondContact O-CB 3.07Å; E172-R175 PolarHBondContact O-N 2.97Å; R175-Q177 PolarHBondContact O-N 3.03Å; R175-K178 WeakPolarHBondContact O-CB 3.41Å; R175-K178 PolarHBondContact O-N 3.07Å; R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 PolarHBondContact O-N 3.11Å
176D87.1Confident76.9Confident98 Ų9882.8 Ų82.852%0.52443%0.427SS..Hα-helixtrans-57.9-37.8179.8-64.7-2.7000111.4E172 E179 S180E172-D176 PolarHBondContact O-N 3.32Å; D176-E179 PolarHBondContact O-N 3.4Å; D176-S180 WeakPolarHBondContact O-CB 3.37Å; D176-S180 PolarHBondContact O-N 3.28Å; D176-S180 PolarHBondContact O-OG 3.5Å
177Q83.6Confident74.8Confident80 Ų8092.4 Ų92.437%0.37447%0.472SS..Hα-helixtrans-65.8-40.1175.3-79.8-174.8-13.400113E173 R175 S180 C181E173-Q177 WeakPolarHBondContact O-CB 2.71Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 2.66Å; R175-Q177 PolarHBondContact O-N 3.03Å; Q177-S180 PolarHBondContact O-N 3.44Å; Q177-S180 PolarHBondContact O-OG 3.34Å; Q177-C181 WeakPolarHBondContact O-CB 3.26Å; Q177-C181 PolarHBondContact O-N 2.66Å; Q177-C181 VanDerWaalsContact O-N 3.15Å
178K81.3Confident72.8Confident132 Ų132100 Ų10057%0.57451%0.508SS*.Hα-helixtrans-65-44.3176.2-73.8174.4-179.8179.30111.1I174 R175 S180 C181 H182I174-K178 HydrophobicContact CG2-CD 4.49Å; I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.13Å; R175-K178 WeakPolarHBondContact O-CB 3.41Å; R175-K178 PolarHBondContact O-N 3.07Å; K178-S180 VanDerWaalsContact C-N 3.35Å; K178-S180 PolarHBondContact O-N 3.46Å; K178-C181 PolarHBondContact O-N 2.81Å; K178-C181 VanDerWaalsContact O-N 3.13Å; K178-H182 PolarHBondContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.48Å
179E77.8Confident70.7Confident113 Ų113108.5 Ų108.553%0.52855%0.547SS..Hα-helixtrans-62.6-42.1178-69.2173.1-167.200111.4R175 D176 C181 H182R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 PolarHBondContact O-N 3.11Å; D176-E179 PolarHBondContact O-N 3.4Å; E179-C181 PolarHBondContact O-N 2.91Å; E179-H182 PolarHBondContact O-N 3.22Å
180S72.8Confident68.4Low84 Ų84111.6 Ų111.659%0.58757%0.572SS**Hα-helixtrans-66.5-21.8175.475.40000114.5D176 Q177 K178 S183D176-S180 WeakPolarHBondContact O-CB 3.37Å; D176-S180 PolarHBondContact O-N 3.28Å; D176-S180 PolarHBondContact O-OG 3.5Å; Q177-S180 PolarHBondContact O-N 3.44Å; Q177-S180 PolarHBondContact O-OG 3.34Å; K178-S180 VanDerWaalsContact C-N 3.35Å; K178-S180 PolarHBondContact O-N 3.46Å; S180-S183 PolarHBondContact O-OG 3.16Å
181C60Low66.4Low97 Ų97119.8 Ų119.866%0.65561%0.611SS**Hα-helixtrans-93.4-23.8179.9-171.40000112.5Q177 K178 E179Q177-C181 WeakPolarHBondContact O-CB 3.26Å; Q177-C181 PolarHBondContact O-N 2.66Å; Q177-C181 VanDerWaalsContact O-N 3.15Å; K178-C181 PolarHBondContact O-N 2.81Å; K178-C181 VanDerWaalsContact O-N 3.13Å; E179-C181 PolarHBondContact O-N 2.91Å
182H56.8Low64.1Low137 Ų137120.9 Ų120.963%0.63463%0.626SS**SBendtrans-87.10.9-179.7-89.2-70.2000114.2K178 E179 V184K178-H182 PolarHBondContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.48Å; E179-H182 PolarHBondContact O-N 3.22Å; H182-V184 PolarHBondContact O-N 3.11Å
183S47.3Very low62.1Low98 Ų98126.1 Ų126.169%0.68565%0.65SS**THydrogen-bonded Turntrans-72.626.1-178.167.60000115.4S180S180-S183 PolarHBondContact O-OG 3.16Å
184V50.8Low60.1Low127 Ų127128 Ų12877%0.7767%0.667SS**THydrogen-bonded Turntrans-131-17.6176.3-101.20000115.7H182H182-V184 PolarHBondContact O-N 3.11Å
185E47.8Very low58Low161 Ų161132.3 Ų132.375%0.75268%0.681SS**SBendtrans-146.1122.6179.1-60.8-178.2171.400109.2
186D43.1Very low56.3Low150 Ų150131.2 Ų131.280%0.80269%0.686SS**  trans93.396.5176.2-60.1-37.9000118.5E188D186-E188 PolarHBondContact O-N 3.31Å
187E47.1Very low54.8Low205 Ų205128.6 Ų128.696%0.95867%0.669SS**  trans-69.873157.2-61.4-95.6154.900109.2
188E50.6Low53.4Low173 Ų173130.4 Ų130.481%0.80869%0.687SS**  trans-93.8134.9162.1-77.6-167.815100109.4D186D186-E188 PolarHBondContact O-N 3.31Å
189E47.3Very low52.4Low186 Ų186125.4 Ų125.487%0.86967%0.666SS**  trans-49.7132.2177.9-77-168.4151.800110.1E191E189-E191 PolarHBondContact O-N 2.87Å
190P43.6Very low51.4Low120 Ų120127.8 Ų127.878%0.77968%0.675SS**  trans-61.5114.9179.723.6-30.8000109
191E49.5Very low50.8Low178 Ų178128.2 Ų128.283%0.83266%0.663SS**PPolyproline II helixtrans-49.2133.3165.6-112.9-179.3173.400107.7E189 E193E189-E191 PolarHBondContact O-N 2.87Å; E191-E193 PolarHBondContact O-N 3.44Å
192P41.7Very low50.9Low120 Ų120127.9 Ų127.978%0.77966%0.658SS**PPolyproline II helixtrans-55.5116.9-176.421.2-31.4000108.8
193E49.5Very low50.7Low172 Ų172129.3 Ų129.380%0.80467%0.669SS**PPolyproline II helixtrans-49.8125.3-178-73179.2-170.900109E191 Y195E191-E193 PolarHBondContact O-N 3.44Å; E193-Y195 PolarHBondContact O-N 3.32Å
194P46.9Very low51.1Low88 Ų88126.7 Ų126.757%0.57165%0.651SS**PPolyproline II helixtrans-59.6117175.522.3-29.8000107.2V196P194-V196 VanDerWaalsContact O-CG2 3.27Å; P194-V196 WeakPolarHBondContact O-CG2 3.29Å; P194-V196 PolarHBondContact O-N 3.24Å
195Y45.5Very low51.3Low149 Ų149125.5 Ų125.558%0.58464%0.64SS**  trans-49.1109.8-178.1-174.2-80.6000110.3E193 W197E193-Y195 PolarHBondContact O-N 3.32Å; Y195-W197 AromaticContact CD1-CD1 3.87Å; Y195-W197 AromaticContact CD1-CD2 3.91Å; Y195-W197 HydrophobicContact CD1-CD2 3.91Å; Y195-W197 AromaticContact CD1-CE2 3.39Å; Y195-W197 HydrophobicContact CD1-CG 4.12Å; Y195-W197 HydrophobicContact CD1-CH2 4.21Å; Y195-W197 AromaticContact CD1-CZ2 3.58Å; Y195-W197 HydrophobicContact CD1-CZ2 3.58Å; Y195-W197 AromaticContact CD1-NE1 3.43Å; Y195-W197 AromaticContact CE1-CD2 3.36Å; Y195-W197 HydrophobicContact CE1-CD2 3.36Å; Y195-W197 AromaticContact CE1-CE2 3.13Å; Y195-W197 AromaticContact CE1-CE3 3.64Å; Y195-W197 HydrophobicContact CE1-CE3 3.64Å; Y195-W197 AromaticContact CE1-CG 3.93Å; Y195-W197 HydrophobicContact CE1-CG 3.93Å; Y195-W197 AromaticContact CE1-CH2 3.29Å; Y195-W197 HydrophobicContact CE1-CH2 3.29Å; Y195-W197 AromaticContact CE1-CZ2 3.11Å; Y195-W197 HydrophobicContact CE1-CZ2 3.11Å; Y195-W197 AromaticContact CE1-CZ3 3.62Å; Y195-W197 HydrophobicContact CE1-CZ3 3.62Å; Y195-W197 AromaticContact CE1-NE1 3.7Å; Y195-W197 AromaticContact CZ-CH2 3.58Å; Y195-W197 AromaticContact CZ-CZ2 3.81Å; Y195-W197 AromaticContact CZ-CZ3 3.94Å; Y195-W197 WeakPolarHBondContact OH-CH2 3.29Å; Y195-W197 WeakPolarHBondContact OH-CZ3 3.49Å
196V53.2Low51.7Low88 Ų88119.4 Ų119.453%0.53361%0.612SS.*  trans-91110.2178.1-1740000107.8P194P194-V196 VanDerWaalsContact O-CG2 3.27Å; P194-V196 WeakPolarHBondContact O-CG2 3.29Å; P194-V196 PolarHBondContact O-N 3.24Å
197W54.9Low52.5Low43 Ų43121.8 Ų121.816%0.16361%0.61CS.*  trans-61.4134.1174.7-74.692.7000110.3F73 N77 A80 Y195 Q199F73-W197 AromaticContact CE2-CD1 3.86Å; F73-W197 AromaticContact CE2-CD2 3.49Å; F73-W197 HydrophobicContact CE2-CD2 3.49Å; F73-W197 VanDerWaalsContact CE2-CD2 3.49Å; F73-W197 AromaticContact CE2-CE2 3.22Å; F73-W197 HydrophobicContact CE2-CE3 4.08Å; F73-W197 AromaticContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CG 3.96Å; F73-W197 HydrophobicContact CE2-CH2 4.38Å; F73-W197 AromaticContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ2 3.72Å; F73-W197 HydrophobicContact CE2-CZ3 4.49Å; F73-W197 AromaticContact CE2-NE1 3.4Å; F73-W197 HydrophobicContact CZ-CD2 4.17Å; F73-W197 AromaticContact CZ-CE2 3.44Å; F73-W197 VanDerWaalsContact CZ-CE2 3.44Å; F73-W197 AromaticContact CZ-CZ2 3.81Å; F73-W197 HydrophobicContact CZ-CZ2 3.81Å; F73-W197 AromaticContact CZ-NE1 3.28Å; F73-W197 VanDerWaalsContact CZ-NE1 3.28Å; N77-W197 HydrophobicContact CB-CH2 3.29Å; N77-W197 HydrophobicContact CB-CZ2 3.53Å; N77-W197 HydrophobicContact CB-CZ3 4.15Å; N77-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N77-W197 WeakPolarHBondContact ND2-CZ3 3.48Å; N77-W197 WeakPolarHBondContact OD1-CH2 3.3Å; N77-W197 WeakPolarHBondContact OD1-CZ3 3.33Å; A80-W197 HydrophobicContact CB-CZ2 3.45Å; A80-W197 VanDerWaalsContact CB-CZ2 3.45Å; Y195-W197 AromaticContact CD1-CD1 3.87Å; Y195-W197 AromaticContact CD1-CD2 3.91Å; Y195-W197 HydrophobicContact CD1-CD2 3.91Å; Y195-W197 AromaticContact CD1-CE2 3.39Å; Y195-W197 HydrophobicContact CD1-CG 4.12Å; Y195-W197 HydrophobicContact CD1-CH2 4.21Å; Y195-W197 AromaticContact CD1-CZ2 3.58Å; Y195-W197 HydrophobicContact CD1-CZ2 3.58Å; Y195-W197 AromaticContact CD1-NE1 3.43Å; Y195-W197 AromaticContact CE1-CD2 3.36Å; Y195-W197 HydrophobicContact CE1-CD2 3.36Å; Y195-W197 AromaticContact CE1-CE2 3.13Å; Y195-W197 AromaticContact CE1-CE3 3.64Å; Y195-W197 HydrophobicContact CE1-CE3 3.64Å; Y195-W197 AromaticContact CE1-CG 3.93Å; Y195-W197 HydrophobicContact CE1-CG 3.93Å; Y195-W197 AromaticContact CE1-CH2 3.29Å; Y195-W197 HydrophobicContact CE1-CH2 3.29Å; Y195-W197 AromaticContact CE1-CZ2 3.11Å; Y195-W197 HydrophobicContact CE1-CZ2 3.11Å; Y195-W197 AromaticContact CE1-CZ3 3.62Å; Y195-W197 HydrophobicContact CE1-CZ3 3.62Å; Y195-W197 AromaticContact CE1-NE1 3.7Å; Y195-W197 AromaticContact CZ-CH2 3.58Å; Y195-W197 AromaticContact CZ-CZ2 3.81Å; Y195-W197 AromaticContact CZ-CZ3 3.94Å; Y195-W197 WeakPolarHBondContact OH-CH2 3.29Å; Y195-W197 WeakPolarHBondContact OH-CZ3 3.49Å; W197-Q199 VanDerWaalsContact C-N 3.31Å; W197-Q199 PolarHBondContact O-N 2.96Å
198P54.7Low54Low117 Ų117116.8 Ų116.876%0.7659%0.59SS**  trans-61.194.8172.5-20.131.2000109.6
199Q58.8Low55.6Low28 Ų28108.7 Ų108.713%0.13155%0.552CS.*  trans-71.9137.7177.8-76171.7-93.800108.9S154 E168 W197 R201S154-Q199 VanDerWaalsContact CB-NE2 3.28Å; S154-Q199 PolarHBondContact OG-NE2 3.49Å; E168-Q199 PolarHBondContact OE1-NE2 3.43Å; E168-Q199 PolarHBondContact OE1-OE1 3.25Å; E168-Q199 VanDerWaalsContact OE1-OE1 3.05Å; E168-Q199 PolarHBondContact OE2-NE2 2.98Å; E168-Q199 PolarHBondContact OE2-OE1 3.48Å; W197-Q199 VanDerWaalsContact C-N 3.31Å; W197-Q199 PolarHBondContact O-N 2.96Å; Q199-R201 PolarHBondContact O-N 3.31Å
200K57.4Low57.3Low163 Ų163101.6 Ų101.671%0.70952%0.52SS*.  trans-69.695.6177.8-161.4173.5-173.6176.50108.4L159L159-K200 HydrophobicContact CD1-CB 4.4Å; L159-K200 VanDerWaalsContact CD1-O 3.31Å; L159-K200 WeakPolarHBondContact CD1-O 3.47Å
201R59.5Low59.3Low93 Ų93101.7 Ų101.735%0.35151%0.51SS..PPolyproline II helixtrans-91.1142.3-179.6-66.6-176.8-175.3172.28111.4Q165 E172 Q199Q165-R201 VanDerWaalsContact OE1-CA 3.24Å; E172-R201 IonicContact OE1-CZ 2.9Å; E172-R201 IonicContact OE1-NH1 2.86Å; E172-R201 IonicContact OE1-NH2 3.73Å; E172-R201 PolarHBondContact OE1-NH2 3.33Å; E172-R201 IonicContact OE2-CZ 3.75Å; E172-R201 IonicContact OE2-NH1 2.77Å; E172-R201 PolarHBondContact OE2-NH1 2.98Å; E172-R201 IonicContact OE2-NH2 2.87Å; E172-R201 PolarHBondContact OE2-NH2 3.49Å; E172-R201 VanDerWaalsContact OE2-NH2 3.14Å; Q199-R201 PolarHBondContact O-N 3.31Å
202V62.6Low61.1Low89 Ų8996.1 Ų96.154%0.53949%0.485SS..PPolyproline II helixtrans-96.1117.8165.2-177.70000106.5C204V202-C204 PolarHBondContact O-N 2.95Å
203L53.8Low63.2Low167 Ų16790.5 Ų90.587%0.87445%0.449SS*.PPolyproline II helixtrans-65.9125.2178.4-65.3176.2000109.7
204C55.4Low64.9Low44 Ų4489.6 Ų89.630%0.29744%0.438SS..PPolyproline II helixtrans-90.2134.9172.9-62.80000109.9M162 V202 M206M162-C204 PolarHBondContact SD-SG 3.15Å; V202-C204 PolarHBondContact O-N 2.95Å; C204-M206 PolarHBondContact O-N 3.08Å
205D53.9Low66.7Low101 Ų10191.6 Ų91.654%0.5444%0.44SS..  trans-82.4108.3176.3-170.1-3.9000110.1R207D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 VanDerWaalsContact CG-NE 3.32Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 WeakPolarHBondContact OD1-CG 3.41Å; D205-R207 IonicContact OD1-CZ 3.24Å; D205-R207 PolarHBondContact OD1-N 3.4Å; D205-R207 IonicContact OD1-NE 3.01Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 3.88Å; D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 VanDerWaalsContact OD2-CZ 3.24Å; D205-R207 IonicContact OD2-NE 3.54Å; D205-R207 PolarHBondContact OD2-NE 3.44Å; D205-R207 IonicContact OD2-NH2 2.66Å; D205-R207 PolarHBondContact OD2-NH2 2.9Å
206M57.8Low68.6Low34 Ų3485.3 Ų85.317%0.16742%0.416CS..  trans-86.21-174.2-65.9-74.9-81.200113.8C204 N208 L209 E233C204-M206 PolarHBondContact O-N 3.08Å; M206-N208 PolarHBondContact O-N 3.42Å; M206-L209 HydrophobicContact CE-CD2 3.61Å; M206-L209 PolarHBondContact O-N 3.27Å; M206-L209 VanDerWaalsContact O-N 3.08Å; M206-E233 WeakPolarHBondContact CB-OE1 3.41Å; M206-E233 HydrophobicContact CE-CG 4.35Å
207R59.5Low70Confident200 Ų20082.5 Ų82.576%0.75540%0.398SS*.THydrogen-bonded Turntrans-58-10.5-166.1-77-177.5-71.9-175.90.9116.6D205D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 VanDerWaalsContact CG-NE 3.32Å; D205-R207 PolarHBondContact O-N 3.49Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 WeakPolarHBondContact OD1-CG 3.41Å; D205-R207 IonicContact OD1-CZ 3.24Å; D205-R207 PolarHBondContact OD1-N 3.4Å; D205-R207 IonicContact OD1-NE 3.01Å; D205-R207 PolarHBondContact OD1-NE 3.19Å; D205-R207 IonicContact OD1-NH2 3.88Å; D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 VanDerWaalsContact OD2-CZ 3.24Å; D205-R207 IonicContact OD2-NE 3.54Å; D205-R207 PolarHBondContact OD2-NE 3.44Å; D205-R207 IonicContact OD2-NH2 2.66Å; D205-R207 PolarHBondContact OD2-NH2 2.9Å
208N78.1Confident71.4Confident100 Ų10083.1 Ų83.154%0.53542%0.418SS..THydrogen-bonded Turntrans-123.75.2-178.8-62.7-5000114.8M206 D210 E211 L212M206-N208 PolarHBondContact O-N 3.42Å; N208-D210 PolarHBondContact O-N 3.48Å; N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.14Å; N208-L212 PolarHBondContact O-N 2.91Å
209L84.7Confident72.7Confident2 Ų282.5 Ų82.51%0.0141%0.405CS..Hα-helixtrans-56.8-46.6-171.6172.661.5000112.7M206 E211 L212 V213 I247 V249 V254M206-L209 HydrophobicContact CE-CD2 3.61Å; M206-L209 PolarHBondContact O-N 3.27Å; M206-L209 VanDerWaalsContact O-N 3.08Å; L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 3.5Å; L209-L212 PolarHBondContact O-N 3.41Å; L209-V213 HydrophobicContact CD1-CG2 3.89Å; L209-V213 HydrophobicContact CG-CG2 4.34Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 2.94Å; L209-I247 HydrophobicContact CD1-CG2 3.88Å; L209-V249 HydrophobicContact CB-CG2 4.21Å; L209-V249 HydrophobicContact CD1-CG2 3.66Å; L209-V249 HydrophobicContact CG-CG2 4.48Å; L209-V254 HydrophobicContact CD1-CG1 4.4Å
210D83Confident73.8Confident38 Ų3881.6 Ų81.620%0.20340%0.401CS..Hα-helixtrans-63-34.4-178.5-71.4-3.5000113.1N208 R214 K230 Y236N208-D210 PolarHBondContact O-N 3.48Å; D210-R214 WeakPolarHBondContact O-CB 3.43Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 IonicContact OD2-NH2 3.74Å; D210-K230 WeakPolarHBondContact OD1-CD 3.31Å; D210-K230 WeakPolarHBondContact OD1-CE 3.38Å; D210-K230 IonicContact OD1-NZ 3.76Å; D210-K230 PolarHBondContact OD1-NZ 3.26Å; D210-K230 IonicContact OD2-NZ 3.4Å; D210-K230 PolarHBondContact OD2-NZ 2.94Å; D210-Y236 PolarHBondContact OD1-OH 3.4Å
211E85.3Confident74.9Confident121 Ų12178.8 Ų78.857%0.56540%0.402SS*.Hα-helixtrans-68.2-44.6179.4-66.4-176.2170.700110.2N208 L209 V213 R214 E215N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.14Å; L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 3.5Å; E211-V213 PolarHBondContact O-N 2.9Å; E211-R214 PolarHBondContact O-N 3.16Å; E211-E215 WeakPolarHBondContact O-CB 3.33Å; E211-E215 PolarHBondContact O-N 3.11Å
212L86.3Confident75.7Confident61 Ų6175.1 Ų75.132%0.31939%0.391SS..Hα-helixtrans-61.5-43.6175.1-64172.9000111.9N208 L209 R214 E215 I216 V249 V254N208-L212 PolarHBondContact O-N 2.91Å; L209-L212 PolarHBondContact O-N 3.41Å; L212-R214 PolarHBondContact O-N 3.17Å; L212-E215 PolarHBondContact O-N 3.07Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.87Å; L212-V249 HydrophobicContact CD1-CG2 4.14Å; L212-V254 HydrophobicContact CB-CG2 3.89Å; L212-V254 HydrophobicContact CD1-CG2 4.19Å
213V86.3Confident76.2Confident2 Ų277.9 Ų77.91%0.01241%0.411CS..Hα-helixtrans-62.3-44.6176.7172.80000110.8L209 E211 E215 I216 L217 M228 Y236 I247 V254 L265L209-V213 HydrophobicContact CD1-CG2 3.89Å; L209-V213 HydrophobicContact CG-CG2 4.34Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 2.94Å; E211-V213 PolarHBondContact O-N 2.9Å; V213-E215 PolarHBondContact O-N 2.92Å; V213-I216 PolarHBondContact O-N 3.43Å; V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 HydrophobicContact CG1-CG 4.38Å; V213-L217 WeakPolarHBondContact O-CB 3.31Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å; V213-M228 HydrophobicContact CG1-SD 4.18Å; V213-Y236 HydrophobicContact CG1-CE1 3.81Å; V213-Y236 HydrophobicContact CG2-CE2 4.48Å; V213-I247 HydrophobicContact CG1-CD1 4.46Å; V213-I247 HydrophobicContact CG2-CD1 4.21Å; V213-I247 HydrophobicContact CG2-CG2 4.01Å; V213-V254 HydrophobicContact CG2-CG1 4.25Å; V213-L265 HydrophobicContact CB-CD2 4.34Å; V213-L265 HydrophobicContact CG1-CD2 4.12Å; V213-L265 HydrophobicContact CG2-CD2 4.03Å
214R84.9Confident77.2Confident153 Ų15373.6 Ų73.658%0.57740%0.399SS*.Hα-helixtrans-63.9-39177-75-177.9-133.9128.40.5112.4D210 E211 L212 G218D210-R214 WeakPolarHBondContact O-CB 3.43Å; D210-R214 VanDerWaalsContact O-CG 3.26Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.33Å; D210-R214 IonicContact OD2-NH2 3.74Å; E211-R214 PolarHBondContact O-N 3.16Å; L212-R214 PolarHBondContact O-N 3.17Å; R214-G218 PolarHBondContact O-N 2.93Å
215E85.2Confident78Confident131 Ų13176.3 Ų76.361%0.61241%0.408SS*.Hα-helixtrans-61.4-48.6176.4-176.9176.2-17800111.1E211 L212 V213 G218 Q219E211-E215 WeakPolarHBondContact O-CB 3.33Å; E211-E215 PolarHBondContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 3.07Å; V213-E215 PolarHBondContact O-N 2.92Å; E215-G218 PolarHBondContact O-N 2.73Å; E215-Q219 PolarHBondContact O-N 3.11Å
216I85.2Confident78.9Confident16 Ų1673.6 Ų73.68%0.08239%0.391CS..Hα-helixtrans-61.9-47.1178.6-68.5166.5000111.1L212 V213 G218 Q219 V254 L265 E266 L269L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.87Å; V213-I216 PolarHBondContact O-N 3.43Å; I216-G218 VanDerWaalsContact C-N 3.26Å; I216-G218 PolarHBondContact O-N 2.84Å; I216-Q219 WeakPolarHBondContact O-CB 3.35Å; I216-Q219 PolarHBondContact O-N 3.3Å; I216-V254 HydrophobicContact CD1-CB 3.78Å; I216-V254 HydrophobicContact CD1-CG1 4.24Å; I216-V254 HydrophobicContact CD1-CG2 3.69Å; I216-L265 HydrophobicContact CB-CD2 4.25Å; I216-L265 HydrophobicContact CD1-CB 4.45Å; I216-L265 HydrophobicContact CD1-CD2 4Å; I216-L265 HydrophobicContact CG2-CD2 4.07Å; I216-L265 HydrophobicContact CG2-CG 4.08Å; I216-E266 HydrophobicContact CD1-CG 4.3Å; I216-E266 HydrophobicContact CG1-CG 4.31Å; I216-E266 HydrophobicContact CG2-CG 3.9Å; I216-L269 HydrophobicContact CG2-CD1 3.69Å
217L83.9Confident79.9Confident30 Ų3074.8 Ų74.816%0.15740%0.401CS..Hα-helixtrans-62.9-34.1176.3-68.2171.2000112.2V213 Q219 C220 M228 L269V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 HydrophobicContact CG1-CG 4.38Å; V213-L217 WeakPolarHBondContact O-CB 3.31Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 2.87Å; L217-Q219 PolarHBondContact O-N 3.17Å; L217-C220 VanDerWaalsContact O-CB 3.23Å; L217-C220 WeakPolarHBondContact O-CB 3.42Å; L217-C220 PolarHBondContact O-N 3.28Å; L217-C220 VanDerWaalsContact O-N 3.14Å; L217-M228 HydrophobicContact CD1-CB 4.27Å; L217-M228 HydrophobicContact CD1-CG 4.32Å; L217-M228 HydrophobicContact CD1-SD 3.81Å; L217-M228 HydrophobicContact CD2-CB 4.35Å; L217-M228 HydrophobicContact CD2-CE 4.45Å; L217-M228 HydrophobicContact CD2-SD 3.94Å; L217-M228 HydrophobicContact CG-SD 4.31Å; L217-L269 HydrophobicContact CD2-CD1 3.72Å; L217-L269 HydrophobicContact CD2-CD2 3.94Å; L217-L269 HydrophobicContact CD2-CG 4.48Å
218G82.4Confident81.2Confident56 Ų5666.6 Ų66.658%0.57737%0.372SS*.Hα-helixtrans-65.5-16.7178.400000114.6R214 E215 I216 C220R214-G218 PolarHBondContact O-N 2.93Å; E215-G218 PolarHBondContact O-N 2.73Å; I216-G218 VanDerWaalsContact C-N 3.26Å; I216-G218 PolarHBondContact O-N 2.84Å; G218-C220 PolarHBondContact O-N 2.99Å
219Q82.9Confident81.6Confident103 Ų10367.3 Ų67.348%0.48138%0.375SS..THydrogen-bonded Turntrans-71.6-14.6174-58.817710.100112.7E215 I216 L217 S221E215-Q219 PolarHBondContact O-N 3.11Å; I216-Q219 WeakPolarHBondContact O-CB 3.35Å; I216-Q219 PolarHBondContact O-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.17Å; Q219-S221 PolarHBondContact O-N 3.49Å
220C81.2Confident81.9Confident9 Ų971.3 Ų71.36%0.06139%0.392CS..  trans-73.7117.4-178.9-1740000111.6L217 G218 C222 Q225 D273 C275L217-C220 VanDerWaalsContact O-CB 3.23Å; L217-C220 WeakPolarHBondContact O-CB 3.42Å; L217-C220 PolarHBondContact O-N 3.28Å; L217-C220 VanDerWaalsContact O-N 3.14Å; G218-C220 PolarHBondContact O-N 2.99Å; C220-C222 VanDerWaalsContact C-N 3.34Å; C220-C222 VanDerWaalsContact SG-CB 3.58Å; C220-C222 VanDerWaalsContact SG-SG 3.64Å; C220-Q225 HydrophobicContact CB-CG 4.21Å; C220-Q225 PolarHBondContact O-NE2 2.99Å; C220-D273 VanDerWaalsContact SG-CG 3.53Å; C220-C275 PolarHBondContact SG-SG 3.37Å
221S81.9Confident82.3Confident105 Ų10573.3 Ų73.373%0.73441%0.405SS*.  trans-93.113.4178.872.80000113.8Q219Q219-S221 PolarHBondContact O-N 3.49Å
222C75.4Confident82.5Confident15 Ų1569.7 Ų69.710%0.10139%0.393CS..  trans-76.4141.3-176.6-69.70000110.8C220 A224 C275C220-C222 VanDerWaalsContact C-N 3.34Å; C220-C222 VanDerWaalsContact SG-CB 3.58Å; C220-C222 VanDerWaalsContact SG-SG 3.64Å; C222-A224 WeakPolarHBondContact CB-O 3.36Å; C222-A224 PolarHBondContact O-N 2.62Å; C222-C275 HydrophobicContact CB-CB 4.32Å; C222-C275 WeakPolarHBondContact CB-SG 3.47Å; C222-C275 PolarHBondContact N-SG 3.21Å; C222-C275 WeakPolarHBondContact SG-CB 3.41Å; C222-C275 PolarHBondContact SG-N 3.41Å; C222-C275 CovalentContact SG-SG 2.07Å; C222-C275 PolarHBondContact SG-SG 2.88Å
223P74.2Confident82.6Confident148 Ų14871.9 Ų71.996%0.96140%0.402SS*.SBendtrans-66.5-27.3177.526-33.4000112.9
224A73.7Confident82.7Confident77 Ų7771.8 Ų71.864%0.63640%0.401SS*.SBendtrans-123.2115.2165.100000107.3C222C222-A224 WeakPolarHBondContact CB-O 3.36Å; C222-A224 PolarHBondContact O-N 2.62Å
225Q71.4Confident83Confident101 Ų10165.1 Ų65.147%0.47238%0.376SS..  trans-81153.9177.3-62.4-176.6-14.700110C220 P227C220-Q225 HydrophobicContact CB-CG 4.21Å; C220-Q225 PolarHBondContact O-NE2 2.99Å; Q225-P227 WeakPolarHBondContact O-CD 3.48Å
226F72.9Confident83.3Confident44 Ų4459.4 Ų59.419%0.19335%0.349CS..  trans-58.9121.1171.7-177-114.3000109.7M228 V238 Y268 L269 H272 D273F226-M228 PolarHBondContact O-N 3Å; F226-M228 VanDerWaalsContact O-N 3.11Å; F226-V238 HydrophobicContact CE1-CB 3.62Å; F226-V238 HydrophobicContact CE1-CG1 3.9Å; F226-V238 HydrophobicContact CZ-CB 3.95Å; F226-Y268 HydrophobicContact CE1-CE1 4.19Å; F226-L269 HydrophobicContact CD1-CD2 4.3Å; F226-H272 HydrophobicContact CD1-CB 4.06Å; F226-H272 HydrophobicContact CD2-CB 4.06Å; F226-H272 HydrophobicContact CE1-CB 4.18Å; F226-H272 HydrophobicContact CE2-CB 4.22Å; F226-H272 HydrophobicContact CG-CB 3.99Å; F226-H272 HydrophobicContact CZ-CB 4.27Å; F226-D273 VanDerWaalsContact CB-OD1 3.31Å; F226-D273 WeakPolarHBondContact CB-OD1 3.3Å
227P79.9Confident83.6Confident58 Ų5863 Ų6338%0.37737%0.365SS..  trans-68.9115.9-172.125.5-32.1000109.8Q225 V238 G239Q225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-V238 WeakPolarHBondContact O-CA 3.47Å; P227-G239 PolarHBondContact O-N 3.44Å
228M85.8Confident83.7Confident29 Ų2961.8 Ų61.814%0.14336%0.358CS..EExtended strand (participates in β ladder)trans-126.2114.6175.3-178.3176.9-76.200109.2V213 L217 F226 Y236 K237 V238 I245 I247 L265 L269V213-M228 HydrophobicContact CG1-SD 4.18Å; L217-M228 HydrophobicContact CD1-CB 4.27Å; L217-M228 HydrophobicContact CD1-CG 4.32Å; L217-M228 HydrophobicContact CD1-SD 3.81Å; L217-M228 HydrophobicContact CD2-CB 4.35Å; L217-M228 HydrophobicContact CD2-CE 4.45Å; L217-M228 HydrophobicContact CD2-SD 3.94Å; L217-M228 HydrophobicContact CG-SD 4.31Å; F226-M228 PolarHBondContact O-N 3Å; F226-M228 VanDerWaalsContact O-N 3.11Å; M228-Y236 HydrophobicContact CG-CD1 3.82Å; M228-Y236 HydrophobicContact CG-CG 4.32Å; M228-Y236 HydrophobicContact SD-CD1 4.06Å; M228-Y236 HydrophobicContact SD-CG 4.4Å; M228-K237 CarbonylContact C-O 3.58Å; M228-K237 WeakPolarHBondContact CA-O 3.46Å; M228-V238 HydrophobicContact CB-CG1 4.09Å; M228-V238 HydrophobicContact CE-CG1 3.39Å; M228-V238 HydrophobicContact CG-CG1 3.82Å; M228-V238 HydrophobicContact SD-CG1 4.42Å; M228-I245 HydrophobicContact CE-CD1 3.7Å; M228-I247 HydrophobicContact CE-CD1 4.49Å; M228-I247 HydrophobicContact SD-CD1 4.22Å; M228-L265 HydrophobicContact CE-CD1 3.9Å; M228-L269 HydrophobicContact CE-CD2 4.29Å
229I87.8Confident83.5Confident115 Ų11560 Ų6059%0.5934%0.34SS*.EExtended strand (participates in β ladder)trans-116.6122.5-174.1-57.9171.9000108.9V231 Y236 K237I229-V231 PolarHBondContact O-N 3.41Å; I229-Y236 CarbonylContact O-C 3.58Å; I229-Y236 WeakPolarHBondContact O-CA 3.47Å; I229-K237 PolarHBondContact N-O 3.2Å; I229-K237 PolarHBondContact O-N 3.41Å
230K90.6Very high83Confident85 Ų8562.9 Ų62.937%0.3736%0.358SS..EExtended strand (participates in β ladder)trans-66125.7173.6-173.9179.1174.1175.20110D210 S232 Y236D210-K230 WeakPolarHBondContact OD1-CD 3.31Å; D210-K230 WeakPolarHBondContact OD1-CE 3.38Å; D210-K230 IonicContact OD1-NZ 3.76Å; D210-K230 PolarHBondContact OD1-NZ 3.26Å; D210-K230 IonicContact OD2-NZ 3.4Å; D210-K230 PolarHBondContact OD2-NZ 2.94Å; K230-S232 WeakPolarHBondContact CE-O 3.42Å; K230-S232 WeakPolarHBondContact CG-O 3.4Å; K230-Y236 HydrophobicContact CB-CD1 3.99Å; K230-Y236 HydrophobicContact CB-CE1 3.66Å; K230-Y236 HydrophobicContact CG-CD1 4.47Å; K230-Y236 HydrophobicContact CG-CE1 3.98Å
231V90.6Very high82.5Confident80 Ų8067.6 Ų67.649%0.48539%0.392SS..EExtended strand (participates in β ladder)trans-93.4-52.4173.2179.20000110.2I229 K235 K237 L244I229-V231 PolarHBondContact O-N 3.41Å; V231-K235 HydrophobicContact CB-CB 4.43Å; V231-K235 PolarHBondContact N-O 3.38Å; V231-K237 HydrophobicContact CG2-CB 4.15Å; V231-K237 HydrophobicContact CG2-CD 3.68Å; V231-K237 HydrophobicContact CG2-CG 3.54Å; V231-L244 HydrophobicContact CG2-CD1 4.15Å
232S89.4Confident82.3Confident46 Ų4665.8 Ų65.832%0.32238%0.379SS..EExtended strand (participates in β ladder)trans-148.6177.7175.866.10000108.7K230 G234 K235K230-S232 WeakPolarHBondContact CE-O 3.42Å; K230-S232 WeakPolarHBondContact CG-O 3.4Å; S232-G234 PolarHBondContact O-N 3.45Å; S232-K235 PolarHBondContact N-O 2.67Å; S232-K235 PolarHBondContact O-N 3.39Å; S232-K235 VanDerWaalsContact O-O 3.1Å; S232-K235 WeakPolarHBondContact OG-CB 3.44Å; S232-K235 WeakPolarHBondContact OG-CD 3.46Å; S232-K235 WeakPolarHBondContact OG-CG 3.18Å
233E88.3Confident82.8Confident107 Ų10767.5 Ų67.550%0.539%0.394SS..THydrogen-bonded Turntrans-53128.6173.2-170.2168.1-172.400110.7M206 K235M206-E233 WeakPolarHBondContact CB-OE1 3.41Å; M206-E233 HydrophobicContact CE-CG 4.35Å; E233-K235 PolarHBondContact O-N 2.73Å; E233-K235 VanDerWaalsContact O-N 3.08Å
234G89.1Confident83.5Confident0 Ų063.7 Ų63.70%037%0.365CS..THydrogen-bonded Turntrans66.34.3-177.600000116.8S232 F246 I247 R248S232-G234 PolarHBondContact O-N 3.45Å; G234-F246 CarbonylContact O-C 3.52Å; G234-F246 VanDerWaalsContact O-CA 3.29Å; G234-F246 WeakPolarHBondContact O-CA 3.4Å; G234-I247 VanDerWaalsContact CA-O 3.27Å; G234-I247 WeakPolarHBondContact CA-O 3.47Å; G234-I247 PolarHBondContact O-N 3.36Å; G234-R248 PolarHBondContact O-NH1 2.98Å
235K91.9Very high84.3Confident12 Ų1260 Ų605%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-123.4124.5179.7-55.4-170.9-169-170.40111.4E173 V231 S232 E233 L244 F246E173-K235 WeakPolarHBondContact OE2-CE 3.31Å; E173-K235 IonicContact OE2-NZ 3.32Å; E173-K235 PolarHBondContact OE2-NZ 2.92Å; V231-K235 HydrophobicContact CB-CB 4.43Å; V231-K235 PolarHBondContact N-O 3.38Å; S232-K235 PolarHBondContact N-O 2.67Å; S232-K235 PolarHBondContact O-N 3.39Å; S232-K235 VanDerWaalsContact O-O 3.1Å; S232-K235 WeakPolarHBondContact OG-CB 3.44Å; S232-K235 WeakPolarHBondContact OG-CD 3.46Å; S232-K235 WeakPolarHBondContact OG-CG 3.18Å; E233-K235 PolarHBondContact O-N 2.73Å; E233-K235 VanDerWaalsContact O-N 3.08Å; K235-L244 HydrophobicContact CB-CD1 4.19Å; K235-F246 HydrophobicContact CD-CD1 4.28Å; K235-F246 HydrophobicContact CD-CE1 3.81Å; K235-F246 HydrophobicContact CG-CD1 3.94Å; K235-F246 HydrophobicContact CG-CE1 3.99Å
236Y91.2Very high85.3Confident11 Ų1156 Ų564%0.04332%0.316CS..EExtended strand (participates in β ladder)trans-131138.3-174.7-68.2-100.7000110.3D210 V213 M228 I229 K230 L244 I245 I247D210-Y236 PolarHBondContact OD1-OH 3.4Å; V213-Y236 HydrophobicContact CG1-CE1 3.81Å; V213-Y236 HydrophobicContact CG2-CE2 4.48Å; M228-Y236 HydrophobicContact CG-CD1 3.82Å; M228-Y236 HydrophobicContact CG-CG 4.32Å; M228-Y236 HydrophobicContact SD-CD1 4.06Å; M228-Y236 HydrophobicContact SD-CG 4.4Å; I229-Y236 CarbonylContact O-C 3.58Å; I229-Y236 WeakPolarHBondContact O-CA 3.47Å; K230-Y236 HydrophobicContact CB-CD1 3.99Å; K230-Y236 HydrophobicContact CB-CE1 3.66Å; K230-Y236 HydrophobicContact CG-CD1 4.47Å; K230-Y236 HydrophobicContact CG-CE1 3.98Å; Y236-L244 WeakPolarHBondContact O-CA 3.09Å; Y236-I245 PolarHBondContact N-O 3.48Å; Y236-I245 WeakPolarHBondContact O-CG1 3.37Å; Y236-I245 PolarHBondContact O-N 3.47Å; Y236-I247 HydrophobicContact CD1-CD1 4.5Å; Y236-I247 HydrophobicContact CD2-CB 4.13Å; Y236-I247 HydrophobicContact CD2-CD1 3.45Å; Y236-I247 VanDerWaalsContact CD2-CD1 3.45Å; Y236-I247 HydrophobicContact CD2-CG1 3.73Å; Y236-I247 HydrophobicContact CE2-CB 4.18Å; Y236-I247 HydrophobicContact CE2-CD1 3.84Å; Y236-I247 HydrophobicContact CE2-CG1 4.21Å; Y236-I247 HydrophobicContact CG-CD1 3.83Å; Y236-I247 HydrophobicContact CG-CG1 4.45Å
237K90.4Very high86.2Confident92 Ų9254 Ų5440%0.431%0.307SS..EExtended strand (participates in β ladder)trans-93.5131.7168.7-81.7175.2177.3-171.40109M228 I229 V231 A243 L244M228-K237 CarbonylContact C-O 3.58Å; M228-K237 WeakPolarHBondContact CA-O 3.46Å; I229-K237 PolarHBondContact N-O 3.2Å; I229-K237 PolarHBondContact O-N 3.41Å; V231-K237 HydrophobicContact CG2-CB 4.15Å; V231-K237 HydrophobicContact CG2-CD 3.68Å; V231-K237 HydrophobicContact CG2-CG 3.54Å; K237-A243 CarbonylContact C-O 3.56Å; K237-A243 WeakPolarHBondContact CA-O 3.46Å; K237-L244 HydrophobicContact CG-CD1 4.16Å
238V86.7Confident86.7Confident5 Ų551.3 Ų51.33%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-126.4145.3-176.1-76.20000113.3F226 P227 M228 A243 I245 Y268F226-V238 HydrophobicContact CE1-CB 3.62Å; F226-V238 HydrophobicContact CE1-CG1 3.9Å; F226-V238 HydrophobicContact CZ-CB 3.95Å; P227-V238 WeakPolarHBondContact O-CA 3.47Å; M228-V238 HydrophobicContact CB-CG1 4.09Å; M228-V238 HydrophobicContact CE-CG1 3.39Å; M228-V238 HydrophobicContact CG-CG1 3.82Å; M228-V238 HydrophobicContact SD-CG1 4.42Å; V238-A243 HydrophobicContact CG2-CB 4.31Å; V238-A243 VanDerWaalsContact CG2-O 3.28Å; V238-A243 WeakPolarHBondContact CG2-O 3.35Å; V238-A243 PolarHBondContact N-O 3.1Å; V238-A243 PolarHBondContact O-N 3.29Å; V238-A243 VanDerWaalsContact O-N 3.13Å; V238-I245 HydrophobicContact CG1-CD1 3.53Å; V238-I245 HydrophobicContact CG1-CG1 4.13Å; V238-I245 HydrophobicContact CG2-CD1 4.15Å; V238-I245 HydrophobicContact CG2-CG1 4.25Å; V238-I245 HydrophobicContact CG2-CG2 3.59Å; V238-Y268 WeakPolarHBondContact CG2-OH 3.48Å
239G78.1Confident86.9Confident18 Ų1851.2 Ų51.219%0.18629%0.291CS..THydrogen-bonded Turntrans66.9-176.4175.400000114P227 S241 S242P227-G239 PolarHBondContact O-N 3.44Å; G239-S241 VanDerWaalsContact C-N 3.29Å; G239-S241 PolarHBondContact O-N 3.09Å; G239-S242 PolarHBondContact O-N 3.01Å
240D71.4Confident86.9Confident163 Ų16345.7 Ų45.787%0.87226%0.262SS*.THydrogen-bonded Turntrans-70.9-26.5-177.5-57.9-36000112.8S242D240-S242 PolarHBondContact O-N 3.4Å
241S71.4Confident86.7Confident109 Ų10946.1 Ų46.176%0.76226%0.262SS*.THydrogen-bonded Turntrans-77.7-3.4176.4-51.90000113.4G239 A243G239-S241 VanDerWaalsContact C-N 3.29Å; G239-S241 PolarHBondContact O-N 3.09Å; S241-A243 PolarHBondContact O-N 2.92Å
242S78Confident86.4Confident67 Ų6748 Ų4847%0.46927%0.273SS..THydrogen-bonded Turntrans53.236.1-177.569.90000114G239 D240 L244G239-S242 PolarHBondContact O-N 3.01Å; D240-S242 PolarHBondContact O-N 3.4Å; S242-L244 PolarHBondContact O-N 2.96Å
243A85Confident86.3Confident51 Ų5146.7 Ų46.742%0.42126%0.262SS..EExtended strand (participates in β ladder)trans-63.6134.5-17900000110.1K237 V238 S241K237-A243 CarbonylContact C-O 3.56Å; K237-A243 WeakPolarHBondContact CA-O 3.46Å; V238-A243 HydrophobicContact CG2-CB 4.31Å; V238-A243 VanDerWaalsContact CG2-O 3.28Å; V238-A243 WeakPolarHBondContact CG2-O 3.35Å; V238-A243 PolarHBondContact N-O 3.1Å; V238-A243 PolarHBondContact O-N 3.29Å; V238-A243 VanDerWaalsContact O-N 3.13Å; S241-A243 PolarHBondContact O-N 2.92Å
244L88.8Confident86.4Confident67 Ų6742.3 Ų42.335%0.35124%0.243SC..EExtended strand (participates in β ladder)trans-82.6129.1178.3-166.769.9000109.9V231 K235 Y236 K237 S242 F246V231-L244 HydrophobicContact CG2-CD1 4.15Å; K235-L244 HydrophobicContact CB-CD1 4.19Å; Y236-L244 WeakPolarHBondContact O-CA 3.09Å; K237-L244 HydrophobicContact CG-CD1 4.16Å; S242-L244 PolarHBondContact O-N 2.96Å; L244-F246 HydrophobicContact CD2-CE2 4.27Å; L244-F246 HydrophobicContact CD2-CZ 3.86Å; L244-F246 HydrophobicContact CG-CE2 4.48Å; L244-F246 HydrophobicContact CG-CZ 4.46Å
245I90.7Very high86.5Confident0 Ų042.3 Ų42.30%024%0.243CC..EExtended strand (participates in β ladder)trans-122.6151.8171.666173.4000109.5M228 Y236 V238 I247 V256 V258 Y268M228-I245 HydrophobicContact CE-CD1 3.7Å; Y236-I245 PolarHBondContact N-O 3.48Å; Y236-I245 WeakPolarHBondContact O-CG1 3.37Å; Y236-I245 PolarHBondContact O-N 3.47Å; V238-I245 HydrophobicContact CG1-CD1 3.53Å; V238-I245 HydrophobicContact CG1-CG1 4.13Å; V238-I245 HydrophobicContact CG2-CD1 4.15Å; V238-I245 HydrophobicContact CG2-CG1 4.25Å; V238-I245 HydrophobicContact CG2-CG2 3.59Å; I245-I247 HydrophobicContact CD1-CD1 4.18Å; I245-I247 HydrophobicContact CD1-CG1 4.28Å; I245-I247 HydrophobicContact CG1-CG1 4.42Å; I245-V256 HydrophobicContact CB-CG2 4.08Å; I245-V256 HydrophobicContact CD1-CG2 3.74Å; I245-V256 HydrophobicContact CG1-CG2 4.31Å; I245-V258 HydrophobicContact CB-CG2 4.35Å; I245-V258 HydrophobicContact CG2-CG1 4.31Å; I245-V258 HydrophobicContact CG2-CG2 3.74Å; I245-Y268 HydrophobicContact CD1-CE1 4.28Å
246F92.6Very high86.5Confident18 Ų1841.8 Ų41.88%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-107.6130.4177.1-58-100.8000108.7I170 I174 G234 K235 L244 V256 R257I170-F246 HydrophobicContact CD1-CB 3.72Å; I170-F246 HydrophobicContact CD1-CG 4.41Å; I170-F246 HydrophobicContact CG1-CB 4.02Å; I170-F246 HydrophobicContact CG1-CD1 4.25Å; I170-F246 HydrophobicContact CG1-CG 4.28Å; I170-F246 HydrophobicContact CG2-CB 4.16Å; I170-F246 HydrophobicContact CG2-CD1 3.81Å; I170-F246 HydrophobicContact CG2-CD2 3.9Å; I170-F246 HydrophobicContact CG2-CE1 4.16Å; I170-F246 HydrophobicContact CG2-CE2 4.28Å; I170-F246 HydrophobicContact CG2-CG 3.68Å; I170-F246 HydrophobicContact CG2-CZ 4.4Å; I174-F246 HydrophobicContact CD1-CE2 3.81Å; I174-F246 HydrophobicContact CD1-CZ 3.79Å; I174-F246 HydrophobicContact CG1-CE1 4.05Å; I174-F246 HydrophobicContact CG1-CE2 4Å; I174-F246 HydrophobicContact CG1-CZ 3.43Å; I174-F246 VanDerWaalsContact CG1-CZ 3.43Å; G234-F246 CarbonylContact O-C 3.52Å; G234-F246 VanDerWaalsContact O-CA 3.29Å; G234-F246 WeakPolarHBondContact O-CA 3.4Å; K235-F246 HydrophobicContact CD-CD1 4.28Å; K235-F246 HydrophobicContact CD-CE1 3.81Å; K235-F246 HydrophobicContact CG-CD1 3.94Å; K235-F246 HydrophobicContact CG-CE1 3.99Å; L244-F246 HydrophobicContact CD2-CE2 4.27Å; L244-F246 HydrophobicContact CD2-CZ 3.86Å; L244-F246 HydrophobicContact CG-CE2 4.48Å; L244-F246 HydrophobicContact CG-CZ 4.46Å; F246-V256 CarbonylContact O-C 3.58Å; F246-V256 WeakPolarHBondContact O-CA 3.37Å; F246-R257 HydrophobicContact CB-CB 4.14Å; F246-R257 PolarHBondContact N-O 3.33Å; F246-R257 PolarHBondContact O-N 3.28Å
247I91.9Very high86.4Confident0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-117.5135.5178.6-52.2-176000108.1L209 V213 M228 G234 Y236 I245 V254 M255 V256 L265L209-I247 HydrophobicContact CD1-CG2 3.88Å; V213-I247 HydrophobicContact CG1-CD1 4.46Å; V213-I247 HydrophobicContact CG2-CD1 4.21Å; V213-I247 HydrophobicContact CG2-CG2 4.01Å; M228-I247 HydrophobicContact CE-CD1 4.49Å; M228-I247 HydrophobicContact SD-CD1 4.22Å; G234-I247 VanDerWaalsContact CA-O 3.27Å; G234-I247 WeakPolarHBondContact CA-O 3.47Å; G234-I247 PolarHBondContact O-N 3.36Å; Y236-I247 HydrophobicContact CD1-CD1 4.5Å; Y236-I247 HydrophobicContact CD2-CB 4.13Å; Y236-I247 HydrophobicContact CD2-CD1 3.45Å; Y236-I247 VanDerWaalsContact CD2-CD1 3.45Å; Y236-I247 HydrophobicContact CD2-CG1 3.73Å; Y236-I247 HydrophobicContact CE2-CB 4.18Å; Y236-I247 HydrophobicContact CE2-CD1 3.84Å; Y236-I247 HydrophobicContact CE2-CG1 4.21Å; Y236-I247 HydrophobicContact CG-CD1 3.83Å; Y236-I247 HydrophobicContact CG-CG1 4.45Å; I245-I247 HydrophobicContact CD1-CD1 4.18Å; I245-I247 HydrophobicContact CD1-CG1 4.28Å; I245-I247 HydrophobicContact CG1-CG1 4.42Å; I247-V254 HydrophobicContact CG2-CG1 3.51Å; I247-M255 CarbonylContact C-O 3.57Å; I247-M255 VanDerWaalsContact CA-O 3.27Å; I247-M255 WeakPolarHBondContact CA-O 3.35Å; I247-M255 WeakPolarHBondContact CG2-O 3.43Å; I247-V256 HydrophobicContact CG1-CG2 4.36Å; I247-L265 HydrophobicContact CD1-CD1 4.08Å; I247-L265 HydrophobicContact CD1-CD2 4.32Å
248R91.4Very high86Confident2 Ų241.8 Ų41.81%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-139.1156.5177.8-68.5-62.4-174.6-79.41.5110.5L166 E169 I170 E173 G234 M255 W262L166-R248 HydrophobicContact CB-CG 4.5Å; L166-R248 HydrophobicContact CD1-CB 3.89Å; L166-R248 HydrophobicContact CD2-CB 4.02Å; L166-R248 HydrophobicContact CD2-CG 3.97Å; L166-R248 HydrophobicContact CG-CB 4.41Å; E169-R248 IonicContact OE1-CZ 2.84Å; E169-R248 VanDerWaalsContact OE1-CZ 3.26Å; E169-R248 IonicContact OE1-NE 3.26Å; E169-R248 PolarHBondContact OE1-NE 2.99Å; E169-R248 IonicContact OE1-NH2 2.89Å; E169-R248 PolarHBondContact OE1-NH2 3.18Å; I170-R248 HydrophobicContact CD1-CG 4.14Å; E173-R248 IonicContact OE1-CZ 2.77Å; E173-R248 IonicContact OE1-NH2 3.95Å; E173-R248 PolarHBondContact OE1-NH2 3.05Å; E173-R248 IonicContact OE2-CZ 2.57Å; E173-R248 IonicContact OE2-NH2 3.99Å; E173-R248 PolarHBondContact OE2-NH2 3.5Å; G234-R248 PolarHBondContact O-NH1 2.98Å; R248-M255 PolarHBondContact N-O 3Å; R248-M255 PolarHBondContact O-N 3.44Å; R248-W262 HydrophobicContact CB-CH2 4.37Å; R248-W262 HydrophobicContact CB-CZ3 4.48Å; R248-W262 HydrophobicContact CG-CH2 4.31Å
249V89.1Confident85.6Confident27 Ų2745.1 Ų45.116%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-92.8118.4171.3-176.20000108.2L209 L212 R251L209-V249 HydrophobicContact CB-CG2 4.21Å; L209-V249 HydrophobicContact CD1-CG2 3.66Å; L209-V249 HydrophobicContact CG-CG2 4.48Å; L212-V249 HydrophobicContact CD1-CG2 4.14Å; V249-R251 VanDerWaalsContact CG1-O 3.23Å; V249-R251 WeakPolarHBondContact CG1-O 2.89Å
250L88.6Confident85.3Confident0 Ų047.9 Ų47.90%031%0.309CS..EExtended strand (participates in β ladder)trans-106.997.7169.4-176.581.7000108A27 D31 M162 L163 L166 T252 H253 M255A27-L250 HydrophobicContact CB-CD2 4.29Å; D31-L250 HydrophobicContact CB-CD1 4.34Å; D31-L250 HydrophobicContact CB-CD2 4.24Å; M162-L250 HydrophobicContact CB-CD1 3.82Å; M162-L250 HydrophobicContact CE-CD1 3.71Å; M162-L250 HydrophobicContact CE-CG 4.18Å; M162-L250 HydrophobicContact CG-CD1 3.97Å; L163-L250 HydrophobicContact CB-CD1 3.99Å; L163-L250 HydrophobicContact CB-CD2 4.5Å; L163-L250 HydrophobicContact CD1-CD1 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.14Å; L166-L250 HydrophobicContact CD1-CB 4.35Å; L166-L250 HydrophobicContact CD1-CD1 3.96Å; L250-T252 PolarHBondContact O-N 2.9Å; L250-T252 VanDerWaalsContact O-N 3.12Å; L250-H253 PolarHBondContact N-O 3.14Å; L250-H253 WeakPolarHBondContact O-CA 3.44Å; L250-H253 WeakPolarHBondContact O-CB 3.14Å; L250-H253 PolarHBondContact O-N 3.4Å; L250-M255 HydrophobicContact CB-CG 3.42Å; L250-M255 VanDerWaalsContact CB-CG 3.42Å; L250-M255 HydrophobicContact CD2-CE 4.48Å; L250-M255 HydrophobicContact CD2-CG 4.12Å; L250-M255 HydrophobicContact CD2-SD 4.35Å; L250-M255 HydrophobicContact CG-CG 4.41Å
251R85.6Confident85.8Confident93 Ų9342 Ų4235%0.35129%0.288SS..THydrogen-bonded Turntrans58.1-113.9-176.7-51.7178.562.994.9-8.7110.4E30 E34 M162 V249E30-R251 VanDerWaalsContact CD-NE 3.3Å; E30-R251 WeakPolarHBondContact OE2-CD 3.42Å; E30-R251 IonicContact OE2-NE 2.73Å; E30-R251 PolarHBondContact OE2-NE 3.16Å; E34-R251 IonicContact OE2-CZ 3.26Å; E34-R251 IonicContact OE2-NH1 2.73Å; E34-R251 PolarHBondContact OE2-NH1 2.9Å; E34-R251 IonicContact OE2-NH2 2.89Å; E34-R251 PolarHBondContact OE2-NH2 3.12Å; M162-R251 HydrophobicContact CE-CB 4.26Å; M162-R251 HydrophobicContact CE-CG 3.29Å; M162-R251 VanDerWaalsContact CE-N 3.29Å; V249-R251 VanDerWaalsContact CG1-O 3.23Å; V249-R251 WeakPolarHBondContact CG1-O 2.89Å
252T84.9Confident86.6Confident119 Ų11937.8 Ų37.873%0.7326%0.255SS*.THydrogen-bonded Turntrans-92.81.1175.952.80000113.4L250L250-T252 PolarHBondContact O-N 2.9Å; L250-T252 VanDerWaalsContact O-N 3.12Å
253H88.1Confident87.2Confident20 Ų2035.7 Ų35.79%0.09324%0.239CC..EExtended strand (participates in β ladder)trans-103.9132.3-174.8-55.7-79000111.4A27 E30 L250 M255A27-H253 HydrophobicContact CB-CB 4.02Å; A27-H253 VanDerWaalsContact CB-CD2 3.42Å; A27-H253 WeakPolarHBondContact CB-CD2 3.37Å; A27-H253 VanDerWaalsContact CB-CG 3.47Å; E30-H253 IonicContact OE2-CD2 2.66Å; E30-H253 IonicContact OE2-NE2 2.99Å; L250-H253 PolarHBondContact N-O 3.14Å; L250-H253 WeakPolarHBondContact O-CA 3.44Å; L250-H253 WeakPolarHBondContact O-CB 3.14Å; L250-H253 PolarHBondContact O-N 3.4Å; H253-M255 HydrophobicContact CB-CG 4.34Å; H253-M255 HydrophobicContact CB-SD 3.92Å
254V90.5Very high87.4Confident15 Ų1533.5 Ų33.59%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-87.4110.4168.5-175.70000108.1L209 L212 V213 I216 I247 T264 L265L209-V254 HydrophobicContact CD1-CG1 4.4Å; L212-V254 HydrophobicContact CB-CG2 3.89Å; L212-V254 HydrophobicContact CD1-CG2 4.19Å; V213-V254 HydrophobicContact CG2-CG1 4.25Å; I216-V254 HydrophobicContact CD1-CB 3.78Å; I216-V254 HydrophobicContact CD1-CG1 4.24Å; I216-V254 HydrophobicContact CD1-CG2 3.69Å; I247-V254 HydrophobicContact CG2-CG1 3.51Å; V254-T264 WeakPolarHBondContact O-CA 3.44Å; V254-L265 HydrophobicContact CB-CB 4.21Å; V254-L265 HydrophobicContact CG1-CB 3.8Å; V254-L265 HydrophobicContact CG1-CD2 3.79Å; V254-L265 HydrophobicContact CG1-CG 4.45Å; V254-L265 PolarHBondContact O-N 3.33Å
255M90.8Very high87.4Confident0 Ų030.3 Ų30.30%020%0.203CC..EExtended strand (participates in β ladder)trans-102.2140.7-174-60.2-61.2-70.900110.7A27 L163 I247 R248 L250 H253 W262 D263 T264A27-M255 HydrophobicContact CB-SD 4.13Å; L163-M255 HydrophobicContact CD1-CE 4.35Å; I247-M255 CarbonylContact C-O 3.57Å; I247-M255 VanDerWaalsContact CA-O 3.27Å; I247-M255 WeakPolarHBondContact CA-O 3.35Å; I247-M255 WeakPolarHBondContact CG2-O 3.43Å; R248-M255 PolarHBondContact N-O 3Å; R248-M255 PolarHBondContact O-N 3.44Å; L250-M255 HydrophobicContact CB-CG 3.42Å; L250-M255 VanDerWaalsContact CB-CG 3.42Å; L250-M255 HydrophobicContact CD2-CE 4.48Å; L250-M255 HydrophobicContact CD2-CG 4.12Å; L250-M255 HydrophobicContact CD2-SD 4.35Å; L250-M255 HydrophobicContact CG-CG 4.41Å; H253-M255 HydrophobicContact CB-CG 4.34Å; H253-M255 HydrophobicContact CB-SD 3.92Å; M255-W262 HydrophobicContact CB-CE3 3.74Å; M255-W262 HydrophobicContact CB-CZ3 3.8Å; M255-W262 HydrophobicContact CE-CB 4.03Å; M255-D263 CarbonylContact C-O 3.59Å; M255-D263 WeakPolarHBondContact CA-O 3.41Å; M255-T264 HydrophobicContact SD-CG2 4.05Å
256V90.4Very high87.2Confident0 Ų033.1 Ų33.10%022%0.216CC..EExtended strand (participates in β ladder)trans-118.1135.1175.362.20000110.6I245 F246 I247 V258 D263 Y268I245-V256 HydrophobicContact CB-CG2 4.08Å; I245-V256 HydrophobicContact CD1-CG2 3.74Å; I245-V256 HydrophobicContact CG1-CG2 4.31Å; F246-V256 CarbonylContact O-C 3.58Å; F246-V256 WeakPolarHBondContact O-CA 3.37Å; I247-V256 HydrophobicContact CG1-CG2 4.36Å; V256-V258 HydrophobicContact CG2-CG2 3.85Å; V256-D263 HydrophobicContact CG1-CB 3.98Å; V256-D263 WeakPolarHBondContact CG1-O 3.35Å; V256-D263 PolarHBondContact N-O 3.13Å; V256-D263 PolarHBondContact O-N 2.8Å; V256-Y268 HydrophobicContact CG1-CD2 4.4Å; V256-Y268 HydrophobicContact CG1-CG 4.05Å
257R89.8Confident86.8Confident35 Ų3533.3 Ų33.313%0.13222%0.217CC..EExtended strand (participates in β ladder)trans-107120.1174.3-165.278.3177.369.57109.3I170 F246 G259 G260 G261 W262I170-R257 HydrophobicContact CD1-CB 4.07Å; I170-R257 HydrophobicContact CD1-CG 4.33Å; F246-R257 HydrophobicContact CB-CB 4.14Å; F246-R257 PolarHBondContact N-O 3.33Å; F246-R257 PolarHBondContact O-N 3.28Å; R257-G259 VanDerWaalsContact NH1-C 3.25Å; R257-G259 PolarHBondContact NH1-O 3.4Å; R257-G259 PolarHBondContact NH2-O 2.82Å; R257-G260 PolarHBondContact NH1-O 2.98Å; R257-G260 PolarHBondContact NH2-O 3.38Å; R257-G261 WeakPolarHBondContact CD-O 3.5Å; R257-G261 PolarHBondContact NH1-O 3.24Å; R257-W262 HydrophobicContact CB-CD2 4.4Å; R257-W262 HydrophobicContact CB-CE3 3.96Å; R257-W262 HydrophobicContact CB-CH2 4.14Å; R257-W262 HydrophobicContact CB-CZ3 3.83Å; R257-W262 VanDerWaalsContact CD-CD2 3.44Å
258V82.1Confident86.5Confident68 Ų6834.6 Ų34.641%0.41222%0.222SC..EExtended strand (participates in β ladder)trans-130.8116.1173.8-1660000108.6I245 V256 G260 G261 Y268I245-V258 HydrophobicContact CB-CG2 4.35Å; I245-V258 HydrophobicContact CG2-CG1 4.31Å; I245-V258 HydrophobicContact CG2-CG2 3.74Å; V256-V258 HydrophobicContact CG2-CG2 3.85Å; V258-G260 PolarHBondContact O-N 2.83Å; V258-G261 PolarHBondContact N-O 2.73Å; V258-Y268 HydrophobicContact CG2-CD2 4.12Å; V258-Y268 HydrophobicContact CG2-CE2 3.81Å
259G78.3Confident86.1Confident76 Ų7634.6 Ų34.678%0.78422%0.222SC*.THydrogen-bonded Turntrans59.3-110.8-179.800000113R257R257-G259 VanDerWaalsContact NH1-C 3.25Å; R257-G259 PolarHBondContact NH1-O 3.4Å; R257-G259 PolarHBondContact NH2-O 2.82Å
260G71.1Confident85.7Confident75 Ų7534.4 Ų34.477%0.77322%0.221SC*.THydrogen-bonded Turntrans-101.4-10.4-170.500000118R257 V258R257-G260 PolarHBondContact NH1-O 2.98Å; R257-G260 PolarHBondContact NH2-O 3.38Å; V258-G260 PolarHBondContact O-N 2.83Å
261G82.7Confident85.2Confident41 Ų4139.7 Ų39.742%0.42324%0.244SC..EExtended strand (participates in β ladder)trans-127.7172.9175.400000116.3R257 V258R257-G261 WeakPolarHBondContact CD-O 3.5Å; R257-G261 PolarHBondContact NH1-O 3.24Å; V258-G261 PolarHBondContact N-O 2.73Å
262W89.2Confident84.9Confident19 Ų1938.7 Ų38.77%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-101.3149.8169.8-72.8100.9000111.8M28 L163 L166 E167 I170 R248 M255 R257M28-W262 HydrophobicContact CE-CB 4.18Å; L163-W262 HydrophobicContact CD1-CB 4.49Å; L163-W262 HydrophobicContact CD1-CD2 3.65Å; L163-W262 HydrophobicContact CD1-CE3 4.31Å; L163-W262 HydrophobicContact CD1-CG 3.75Å; L163-W262 HydrophobicContact CD1-CZ2 4.12Å; L163-W262 HydrophobicContact CG-CG 4.42Å; L166-W262 HydrophobicContact CB-CH2 3.98Å; L166-W262 HydrophobicContact CB-CZ2 3.94Å; E167-W262 HydrophobicContact CG-CZ2 3.65Å; E167-W262 PolarHBondContact OE1-NE1 3.42Å; I170-W262 HydrophobicContact CD1-CH2 3.39Å; I170-W262 HydrophobicContact CD1-CZ2 3.91Å; I170-W262 HydrophobicContact CD1-CZ3 4.26Å; R248-W262 HydrophobicContact CB-CH2 4.37Å; R248-W262 HydrophobicContact CB-CZ3 4.48Å; R248-W262 HydrophobicContact CG-CH2 4.31Å; M255-W262 HydrophobicContact CB-CE3 3.74Å; M255-W262 HydrophobicContact CB-CZ3 3.8Å; M255-W262 HydrophobicContact CE-CB 4.03Å; R257-W262 HydrophobicContact CB-CD2 4.4Å; R257-W262 HydrophobicContact CB-CE3 3.96Å; R257-W262 HydrophobicContact CB-CH2 4.14Å; R257-W262 HydrophobicContact CB-CZ3 3.83Å; R257-W262 VanDerWaalsContact CD-CD2 3.44Å
263D88.9Confident84.7Confident24 Ų2433.2 Ų33.213%0.12821%0.209CC..EExtended strand (participates in β ladder)trans-144168.1170.3-147.8-11.4000109.9M255 V256 H267 K271M255-D263 CarbonylContact C-O 3.59Å; M255-D263 WeakPolarHBondContact CA-O 3.41Å; V256-D263 HydrophobicContact CG1-CB 3.98Å; V256-D263 WeakPolarHBondContact CG1-O 3.35Å; V256-D263 PolarHBondContact N-O 3.13Å; V256-D263 PolarHBondContact O-N 2.8Å; D263-H267 WeakPolarHBondContact OD1-CB 3.31Å; D263-H267 IonicContact OD1-CE1 3.14Å; D263-H267 IonicContact OD1-CG 2.98Å; D263-H267 IonicContact OD1-ND1 2.93Å; D263-H267 PolarHBondContact OD1-ND1 2.85Å; D263-H267 IonicContact OD2-CE1 3.64Å; D263-H267 PolarHBondContact OD2-CE1 3.36Å; D263-H267 IonicContact OD2-CG 3.15Å; D263-H267 IonicContact OD2-ND1 2.67Å; D263-H267 PolarHBondContact OD2-ND1 3.31Å; D263-K271 IonicContact OD2-NZ 3.49Å; D263-K271 PolarHBondContact OD2-NZ 3.18Å
264T89.9Confident84Confident4 Ų436.4 Ų36.43%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-78148165.865.50000109.6E23 V254 M255 E266 H267 Y268E23-T264 HydrophobicContact CG-CG2 4.22Å; V254-T264 WeakPolarHBondContact O-CA 3.44Å; M255-T264 HydrophobicContact SD-CG2 4.05Å; T264-E266 PolarHBondContact O-N 3.27Å; T264-H267 PolarHBondContact O-N 2.98Å; T264-H267 VanDerWaalsContact OG1-CB 3.25Å; T264-H267 WeakPolarHBondContact OG1-CB 3.29Å; T264-H267 PolarHBondContact OG1-N 3.17Å; T264-H267 VanDerWaalsContact OG1-N 3.13Å; T264-Y268 PolarHBondContact O-N 2.62Å
265L88.1Confident83.1Confident0 Ų037 Ų370%024%0.236CC..Hα-helixtrans-59.2-39.3176.4177.760.7000110.9V213 I216 M228 I247 V254 Y268 L269V213-L265 HydrophobicContact CB-CD2 4.34Å; V213-L265 HydrophobicContact CG1-CD2 4.12Å; V213-L265 HydrophobicContact CG2-CD2 4.03Å; I216-L265 HydrophobicContact CB-CD2 4.25Å; I216-L265 HydrophobicContact CD1-CB 4.45Å; I216-L265 HydrophobicContact CD1-CD2 4Å; I216-L265 HydrophobicContact CG2-CD2 4.07Å; I216-L265 HydrophobicContact CG2-CG 4.08Å; M228-L265 HydrophobicContact CE-CD1 3.9Å; I247-L265 HydrophobicContact CD1-CD1 4.08Å; I247-L265 HydrophobicContact CD1-CD2 4.32Å; V254-L265 HydrophobicContact CB-CB 4.21Å; V254-L265 HydrophobicContact CG1-CB 3.8Å; V254-L265 HydrophobicContact CG1-CD2 3.79Å; V254-L265 HydrophobicContact CG1-CG 4.45Å; V254-L265 PolarHBondContact O-N 3.33Å; L265-Y268 PolarHBondContact O-N 3.22Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.17Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 WeakPolarHBondContact O-CG 3.19Å; L265-L269 PolarHBondContact O-N 3.31Å
266E86.4Confident82.2Confident60 Ų6038.6 Ų38.628%0.2824%0.242SC..Hα-helixtrans-59.2-48.2174.8-66.4-164.7-168.400111.9I216 T264 Y268 L269 D270 R276I216-E266 HydrophobicContact CD1-CG 4.3Å; I216-E266 HydrophobicContact CG1-CG 4.31Å; I216-E266 HydrophobicContact CG2-CG 3.9Å; T264-E266 PolarHBondContact O-N 3.27Å; E266-Y268 VanDerWaalsContact C-N 3.34Å; E266-Y268 PolarHBondContact O-N 2.97Å; E266-L269 PolarHBondContact O-N 3.42Å; E266-D270 PolarHBondContact O-N 3.49Å; E266-R276 PolarHBondContact O-NH1 2.9Å; E266-R276 PolarHBondContact O-NH2 3.01Å
267H84.8Confident80.7Confident22 Ų2241.2 Ų41.210%0.10226%0.26CS..Hα-helixtrans-68.4-33.6179179.3-153.8000112.9S20 D263 T264 D270 K271S20-H267 WeakPolarHBondContact CB-CD2 3.26Å; S20-H267 PolarHBondContact O-ND1 3.27Å; S20-H267 PolarHBondContact OG-CD2 3.49Å; S20-H267 PolarHBondContact OG-NE2 3.33Å; D263-H267 WeakPolarHBondContact OD1-CB 3.31Å; D263-H267 IonicContact OD1-CE1 3.14Å; D263-H267 IonicContact OD1-CG 2.98Å; D263-H267 IonicContact OD1-ND1 2.93Å; D263-H267 PolarHBondContact OD1-ND1 2.85Å; D263-H267 IonicContact OD2-CE1 3.64Å; D263-H267 PolarHBondContact OD2-CE1 3.36Å; D263-H267 IonicContact OD2-CG 3.15Å; D263-H267 IonicContact OD2-ND1 2.67Å; D263-H267 PolarHBondContact OD2-ND1 3.31Å; T264-H267 PolarHBondContact O-N 2.98Å; T264-H267 VanDerWaalsContact OG1-CB 3.25Å; T264-H267 WeakPolarHBondContact OG1-CB 3.29Å; T264-H267 PolarHBondContact OG1-N 3.17Å; T264-H267 VanDerWaalsContact OG1-N 3.13Å; H267-D270 WeakPolarHBondContact O-CB 3.46Å; H267-D270 PolarHBondContact O-N 3.07Å; H267-K271 PolarHBondContact CE1-NZ 3.08Å; H267-K271 WeakPolarHBondContact NE2-CE 3.41Å; H267-K271 PolarHBondContact NE2-NZ 3.14Å
268Y84.9Confident79Confident27 Ų2741.9 Ų41.911%0.10627%0.273CS..Hα-helixtrans-61.2-47.9174177.1-98.4000111.2F226 V238 I245 V256 V258 T264 L265 E266 D270 K271 H272F226-Y268 HydrophobicContact CE1-CE1 4.19Å; V238-Y268 WeakPolarHBondContact CG2-OH 3.48Å; I245-Y268 HydrophobicContact CD1-CE1 4.28Å; V256-Y268 HydrophobicContact CG1-CD2 4.4Å; V256-Y268 HydrophobicContact CG1-CG 4.05Å; V258-Y268 HydrophobicContact CG2-CD2 4.12Å; V258-Y268 HydrophobicContact CG2-CE2 3.81Å; T264-Y268 PolarHBondContact O-N 2.62Å; L265-Y268 PolarHBondContact O-N 3.22Å; E266-Y268 VanDerWaalsContact C-N 3.34Å; E266-Y268 PolarHBondContact O-N 2.97Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.29Å; Y268-K271 PolarHBondContact O-N 2.88Å; Y268-H272 AromaticContact CD1-CD2 3.91Å; Y268-H272 AromaticContact CD2-NE2 3.97Å; Y268-H272 AromaticContact CE1-CD2 3.53Å; Y268-H272 AromaticContact CE2-CD2 3.66Å; Y268-H272 AromaticContact CE2-NE2 3.33Å; Y268-H272 VanDerWaalsContact CE2-NE2 3.33Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.41Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.35Å; Y268-H272 VanDerWaalsContact CZ-NE2 3.35Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 PolarHBondContact OH-NE2 3.28Å
269L84.4Confident77.6Confident1 Ų140.4 Ų40.41%0.00527%0.268CS..Hα-helixtrans-67.7-25.2178.4-68.1171000112.8I216 L217 F226 M228 L265 E266 K271 H272 D273I216-L269 HydrophobicContact CG2-CD1 3.69Å; L217-L269 HydrophobicContact CD2-CD1 3.72Å; L217-L269 HydrophobicContact CD2-CD2 3.94Å; L217-L269 HydrophobicContact CD2-CG 4.48Å; F226-L269 HydrophobicContact CD1-CD2 4.3Å; M228-L269 HydrophobicContact CE-CD2 4.29Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.17Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 WeakPolarHBondContact O-CG 3.19Å; L265-L269 PolarHBondContact O-N 3.31Å; E266-L269 PolarHBondContact O-N 3.42Å; L269-K271 PolarHBondContact O-N 3.21Å; L269-K271 VanDerWaalsContact O-N 3.15Å; L269-H272 PolarHBondContact O-N 3.05Å; L269-D273 WeakPolarHBondContact O-CB 3.37Å; L269-D273 PolarHBondContact O-N 3.47Å
270D80.3Confident76.3Confident24 Ų2440.4 Ų40.413%0.12825%0.246CC..Hα-helixtrans-62.2-23.8177.3-84.9-26.1000112.1E266 H267 Y268 R276 C277 F280E266-D270 PolarHBondContact O-N 3.49Å; H267-D270 WeakPolarHBondContact O-CB 3.46Å; H267-D270 PolarHBondContact O-N 3.07Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.29Å; D270-R276 IonicContact OD1-CZ 3.92Å; D270-R276 IonicContact OD1-NE 3.39Å; D270-R276 PolarHBondContact OD1-NE 2.89Å; D270-R276 IonicContact OD1-NH1 2.85Å; D270-R276 PolarHBondContact OD1-NH1 3.4Å; D270-R276 IonicContact OD1-NH2 3.32Å; D270-R276 PolarHBondContact OD1-NH2 3.37Å; D270-R276 VanDerWaalsContact OD1-NH2 3.15Å; D270-C277 PolarHBondContact O-SG 3.28Å; D270-F280 HydrophobicContact CB-CE2 4.46Å
271K78.5Confident75.2Confident111 Ų11139.4 Ų39.448%0.48323%0.231SC..THydrogen-bonded Turntrans-90.6-14.3178.3-60.6165.7-169.4151.30112.6D263 H267 Y268 L269D263-K271 IonicContact OD2-NZ 3.49Å; D263-K271 PolarHBondContact OD2-NZ 3.18Å; H267-K271 PolarHBondContact CE1-NZ 3.08Å; H267-K271 WeakPolarHBondContact NE2-CE 3.41Å; H267-K271 PolarHBondContact NE2-NZ 3.14Å; Y268-K271 PolarHBondContact O-N 2.88Å; L269-K271 PolarHBondContact O-N 3.21Å; L269-K271 VanDerWaalsContact O-N 3.15Å
272H78.6Confident73.6Confident72 Ų7244.4 Ų44.433%0.33324%0.243SC..THydrogen-bonded Turntrans-115.6-29.8-170.1-67.9-51.5000113.4F226 Y268 L269 P274F226-H272 HydrophobicContact CD1-CB 4.06Å; F226-H272 HydrophobicContact CD2-CB 4.06Å; F226-H272 HydrophobicContact CE1-CB 4.18Å; F226-H272 HydrophobicContact CE2-CB 4.22Å; F226-H272 HydrophobicContact CG-CB 3.99Å; F226-H272 HydrophobicContact CZ-CB 4.27Å; Y268-H272 AromaticContact CD1-CD2 3.91Å; Y268-H272 AromaticContact CD2-NE2 3.97Å; Y268-H272 AromaticContact CE1-CD2 3.53Å; Y268-H272 AromaticContact CE2-CD2 3.66Å; Y268-H272 AromaticContact CE2-NE2 3.33Å; Y268-H272 VanDerWaalsContact CE2-NE2 3.33Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.41Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.35Å; Y268-H272 VanDerWaalsContact CZ-NE2 3.35Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 PolarHBondContact OH-NE2 3.28Å; L269-H272 PolarHBondContact O-N 3.05Å; H272-P274 WeakPolarHBondContact O-CD 3.48Å
273D80.5Confident71.5Confident4 Ų450.9 Ų50.92%0.02127%0.267CS..  trans-89.3118.1179.1-78.2-25000112.4C220 F226 L269 C275 R276 C277C220-D273 VanDerWaalsContact SG-CG 3.53Å; F226-D273 VanDerWaalsContact CB-OD1 3.31Å; F226-D273 WeakPolarHBondContact CB-OD1 3.3Å; L269-D273 WeakPolarHBondContact O-CB 3.37Å; L269-D273 PolarHBondContact O-N 3.47Å; D273-C275 VanDerWaalsContact C-N 3.29Å; D273-C275 PolarHBondContact O-N 3.4Å; D273-R276 HydrophobicContact CB-CB 4.03Å; D273-R276 HydrophobicContact CB-CG 3.89Å; D273-R276 PolarHBondContact O-N 2.8Å; D273-C277 PolarHBondContact O-N 3.4Å; D273-C277 PolarHBondContact O-SG 3.33Å; D273-C277 VanDerWaalsContact O-SG 3.36Å
274P73.4Confident69.1Low86 Ų8656.2 Ų56.256%0.55829%0.286SS*.Hα-helixtrans-56.6-36.2-179-27.934.9000115H272 R276 A278H272-P274 WeakPolarHBondContact O-CD 3.48Å; P274-R276 VanDerWaalsContact C-N 3.35Å; P274-A278 WeakPolarHBondContact O-CB 3.5Å; P274-A278 PolarHBondContact O-N 3.09Å
275C72.3Confident66.9Low28 Ų2862.4 Ų62.419%0.18932%0.315CS..Hα-helixtrans-71.5-29.8-18038.20000112C220 C222 D273 A279C220-C275 PolarHBondContact SG-SG 3.37Å; C222-C275 HydrophobicContact CB-CB 4.32Å; C222-C275 WeakPolarHBondContact CB-SG 3.47Å; C222-C275 PolarHBondContact N-SG 3.21Å; C222-C275 WeakPolarHBondContact SG-CB 3.41Å; C222-C275 PolarHBondContact SG-N 3.41Å; C222-C275 CovalentContact SG-SG 2.07Å; C222-C275 PolarHBondContact SG-SG 2.88Å; D273-C275 VanDerWaalsContact C-N 3.29Å; D273-C275 PolarHBondContact O-N 3.4Å; C275-A279 PolarHBondContact O-N 3.06Å
276R71.4Confident64.7Low33 Ų3369.3 Ų69.313%0.12535%0.347CS..Hα-helixtrans-81.5-38.5174.9-57.9-177.978.6-123.91.3110.5E266 D270 D273 P274 A278 A279 F280E266-R276 PolarHBondContact O-NH1 2.9Å; E266-R276 PolarHBondContact O-NH2 3.01Å; D270-R276 IonicContact OD1-CZ 3.92Å; D270-R276 IonicContact OD1-NE 3.39Å; D270-R276 PolarHBondContact OD1-NE 2.89Å; D270-R276 IonicContact OD1-NH1 2.85Å; D270-R276 PolarHBondContact OD1-NH1 3.4Å; D270-R276 IonicContact OD1-NH2 3.32Å; D270-R276 PolarHBondContact OD1-NH2 3.37Å; D270-R276 VanDerWaalsContact OD1-NH2 3.15Å; D273-R276 HydrophobicContact CB-CB 4.03Å; D273-R276 HydrophobicContact CB-CG 3.89Å; D273-R276 PolarHBondContact O-N 2.8Å; P274-R276 VanDerWaalsContact C-N 3.35Å; R276-A278 PolarHBondContact O-N 3.22Å; R276-A279 PolarHBondContact O-N 3.47Å; R276-F280 PolarHBondContact O-N 3.16Å
277C59.9Low62.7Low55 Ų5569.9 Ų69.937%0.37236%0.362SS..Hα-helixtrans-56.9-47.2169.6-71.60000113.1D270 D273 F280 A281D270-C277 PolarHBondContact O-SG 3.28Å; D273-C277 PolarHBondContact O-N 3.4Å; D273-C277 PolarHBondContact O-SG 3.33Å; D273-C277 VanDerWaalsContact O-SG 3.36Å; C277-F280 WeakPolarHBondContact O-CB 3.21Å; C277-F280 PolarHBondContact O-N 2.88Å; C277-A281 PolarHBondContact O-N 2.91Å
278A53.8Low60.8Low49 Ų4975.7 Ų75.741%0.40539%0.387SS..Hα-helixtrans-69.9-34.9-178.300000112.9P274 R276 F280 A281 H282P274-A278 WeakPolarHBondContact O-CB 3.5Å; P274-A278 PolarHBondContact O-N 3.09Å; R276-A278 PolarHBondContact O-N 3.22Å; A278-F280 PolarHBondContact O-N 3.03Å; A278-A281 PolarHBondContact O-N 3.47Å; A278-H282 PolarHBondContact O-N 3.29Å
279A52.7Low58.7Low38 Ų3877.4 Ų77.431%0.31441%0.407SS..Hα-helixtrans-65-28.5173.200000112.5C275 R276 R283C275-A279 PolarHBondContact O-N 3.06Å; R276-A279 PolarHBondContact O-N 3.47Å; A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 WeakPolarHBondContact O-CG 3.44Å; A279-R283 PolarHBondContact O-N 3.48Å; A279-R283 PolarHBondContact O-NE 2.9Å; A279-R283 VanDerWaalsContact O-NE 3.08Å
280F49.7Very low56.8Low76 Ų7681.8 Ų81.833%0.33344%0.438SS..Hα-helixtrans-69.6-42.3170.9-105-88.4000112.3D270 R276 C277 A278 Y284D270-F280 HydrophobicContact CB-CE2 4.46Å; R276-F280 PolarHBondContact O-N 3.16Å; C277-F280 WeakPolarHBondContact O-CB 3.21Å; C277-F280 PolarHBondContact O-N 2.88Å; A278-F280 PolarHBondContact O-N 3.03Å; F280-Y284 WeakPolarHBondContact O-CB 3.33Å; F280-Y284 PolarHBondContact O-N 3.04Å; F280-Y284 VanDerWaalsContact O-N 3.07Å
281A48.6Very low55Low53 Ų5383.9 Ų83.944%0.43847%0.465SS..Hα-helixtrans-65-44.1177.700000112.6C277 A278 Y284 H285C277-A281 PolarHBondContact O-N 2.91Å; A278-A281 PolarHBondContact O-N 3.47Å; A281-Y284 PolarHBondContact O-N 3.01Å; A281-H285 PolarHBondContact O-CD2 2.93Å; A281-H285 PolarHBondContact O-N 3.02Å; A281-H285 VanDerWaalsContact O-N 3.13Å
282H48.8Very low53.3Low147 Ų14787.2 Ų87.268%0.68148%0.482SS*.Hα-helixtrans-68.2-38.3177.8-88.1-74.1000113.1A278 H285 Q286A278-H282 PolarHBondContact O-N 3.29Å; H282-H285 PolarHBondContact O-N 3.38Å; H282-Q286 WeakPolarHBondContact O-CB 3.42Å; H282-Q286 PolarHBondContact O-N 3.37Å
283R46.3Very low51.4Low155 Ų15588.4 Ų88.459%0.58550%0.498SS*.Hα-helixtrans-67.7-34.9176.1-78.4-176.6-76.6-164.41.6112.7A279 Q286 A287A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 WeakPolarHBondContact O-CG 3.44Å; A279-R283 PolarHBondContact O-N 3.48Å; A279-R283 PolarHBondContact O-NE 2.9Å; A279-R283 VanDerWaalsContact O-NE 3.08Å; R283-Q286 PolarHBondContact O-N 2.89Å; R283-A287 PolarHBondContact O-N 3.48Å
284Y38.7Very low49.4Very low135 Ų13597.9 Ų97.953%0.52954%0.543SS..Hα-helixtrans-69.6-38.6175.6-159.1-101000112.7F280 A281 K288F280-Y284 WeakPolarHBondContact O-CB 3.33Å; F280-Y284 PolarHBondContact O-N 3.04Å; F280-Y284 VanDerWaalsContact O-N 3.07Å; A281-Y284 PolarHBondContact O-N 3.01Å; Y284-K288 PolarHBondContact O-N 3.02Å
285H41.8Very low47.5Very low135 Ų13597.8 Ų97.863%0.62556%0.557SS**Hα-helixtrans-68.8-35.6174.6-87.4-72.5000112.9A281 H282 K288 A289A281-H285 PolarHBondContact O-CD2 2.93Å; A281-H285 PolarHBondContact O-N 3.02Å; A281-H285 VanDerWaalsContact O-N 3.13Å; H282-H285 PolarHBondContact O-N 3.38Å; H285-K288 PolarHBondContact O-N 3Å; H285-A289 WeakPolarHBondContact O-CB 3.35Å; H285-A289 PolarHBondContact O-N 3.44Å
286Q43.4Very low45.7Very low144 Ų144100.9 Ų100.967%0.67358%0.584SS**Hα-helixtrans-68.1-38.3178.1-156.4172.652.500112.1H282 R283 K288 A289 S290H282-Q286 WeakPolarHBondContact O-CB 3.42Å; H282-Q286 PolarHBondContact O-N 3.37Å; R283-Q286 PolarHBondContact O-N 2.89Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 3.19Å; Q286-A289 PolarHBondContact O-N 3.2Å; Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 VanDerWaalsContact O-N 3.11Å; Q286-S290 PolarHBondContact O-OG 2.73Å
287A44.6Very low43.9Very low72 Ų72107.5 Ų107.560%0.59562%0.617SS**Hα-helixtrans-65.4-29.6175.100000113.8R283 S290R283-A287 PolarHBondContact O-N 3.48Å; A287-S290 PolarHBondContact O-OG 3.44Å
288K43.5Very low42.5Very low144 Ų144111.1 Ų111.163%0.62664%0.643SS**Hα-helixtrans-81-33.4172.2-78.8-167.2175.2-175.10113.3Y284 H285 Q286 G291Y284-K288 PolarHBondContact O-N 3.02Å; H285-K288 PolarHBondContact O-N 3Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 3.19Å; K288-G291 PolarHBondContact O-N 2.89Å
289A42.4Very low41.7Very low64 Ų64118.1 Ų118.153%0.52966%0.664SS.*Hα-helixtrans-74-27.2-179.500000113.2H285 Q286 G291H285-A289 WeakPolarHBondContact O-CB 3.35Å; H285-A289 PolarHBondContact O-N 3.44Å; Q286-A289 PolarHBondContact O-N 3.2Å; A289-G291 VanDerWaalsContact C-N 3.26Å; A289-G291 PolarHBondContact O-N 2.7Å
290S43.4Very low40.7Very low93 Ų93121.3 Ų121.365%0.6568%0.684SS**THydrogen-bonded Turntrans-75.5-7.6175.446.30000114.5Q286 A287Q286-S290 PolarHBondContact O-N 3.33Å; Q286-S290 VanDerWaalsContact O-N 3.11Å; Q286-S290 PolarHBondContact O-OG 2.73Å; A287-S290 PolarHBondContact O-OG 3.44Å
291G43.1Very low39.9Very low67 Ų67122.8 Ų122.869%0.69170%0.703SS**THydrogen-bonded Turntrans-94.9-5.8175.900000115.4K288 A289K288-G291 PolarHBondContact O-N 2.89Å; A289-G291 VanDerWaalsContact C-N 3.26Å; A289-G291 PolarHBondContact O-N 2.7Å
292Q43.3Very low39.1Very low182 Ų182126 Ų12685%0.8572%0.723SS**SBendtrans-139.767.9-178.9-89.1-178.4-600111
293S37.2Very low38.5Very low96 Ų96123 Ų12367%0.67172%0.724SS**  trans-15648.3164.355.40000113.4
294Q39.2Very low37.8Very low204 Ų204124.8 Ų124.895%0.95374%0.738SS**SBendtrans-138.9111.4151.5-70.7-164.91000109.3
295G34.4Very low37.6Very low83 Ų83123.1 Ų123.186%0.85675%0.746SS**  trans143.950.4168.600000116.2
296A33.6Very low37.3Very low93 Ų93122.1 Ų122.177%0.76975%0.754SS**  trans-150.1100.9159.100000111.4
297Q33.3Very low36.9Very low173 Ų173126.4 Ų126.481%0.80876%0.764SS**  152.5117.8117.8-81.1-173.9-0.400111.6
298S31.7Very low36.5Very low131 Ų131127 Ų12792%0.91676%0.764SS**  trans-155.6129.2130.7-56.60000109
299K36.5Very low36.1Very low196 Ų196126.8 Ų126.885%0.85278%0.775SS**  trans-84.7149.7-178.9-62.4169.8173.5175.70110.6
300S30.5Very low36.1Very low105 Ų105129.1 Ų129.173%0.73479%0.787SS**  -173.1124.3120.667.10000113
301S33.5Very low36.3Very low106 Ų106130.8 Ų130.874%0.74180%0.796SS**  trans31.6132.4139.659.20000119.7
302S32.2Very low36.1Very low121 Ų121130.9 Ų130.985%0.84680%0.797SS**  cis-177.6164.249.7380000110.4
303A35.4Very low36.1Very low84 Ų84132 Ų13269%0.69482%0.82SS**  trans-63.3155.1-171.500000116.5
304H33.2Very low36Very low193 Ų193133.9 Ų133.989%0.89483%0.828SS**  -173.3143.3114.2-106.1-74.1000112.8
305S34.2Very low35.9Very low100 Ų100130.2 Ų130.270%0.69982%0.821SS**  trans-81.4163.6-177.7-53.60000114.4
306S34.7Very low35.9Very low113 Ų113132.8 Ų132.879%0.7982%0.819SS**  trans88.8115.4143.3-10000121
307R34.6Very low36.1Very low235 Ų235135.1 Ų135.189%0.88782%0.822SS**  53.5117.3120.6-119.8-166.4169.4-179.9-4.4120.8
308S35.9Very low36.2Very low83 Ų83132.8 Ų132.858%0.5882%0.823SS**  trans39.3123.3132.759.40000120.9
309T36.3Very low36.6Very low140 Ų140132.9 Ų132.986%0.85982%0.817SS**  171.5153.810833.10000111.3
310S42.8Very low36.6Very low113 Ų113128.4 Ų128.479%0.7981%0.814SS**  trans-56.5168-175.8-36.50000115.9
311P47.3Very low37Very low129 Ų129130.2 Ų130.284%0.83882%0.821SS**  trans-122.2133.215233.6-19.5000112.7
312G39.3Very low37.3Very low69 Ų69132.2 Ų132.271%0.71183%0.827SS**  trans-116.6176.7143.700000107.6
313P42Very low37.8Very low206 Ų206133.2 Ų133.2100%1.33883%0.825SS**  cis-98.9012.616.33.4000115

Retrieved 313 of 313 residues in 272.2 ms (Link to these results)