A0A3Q0KI44_SCHMA Loading...

Ashwin

AlphaFold DB , UniProt , Accession A0A3Q0KI44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M49.3Very low56.5Low244 Ų244176.5 Ų176.5100%1.20286%0.856SS**  0108.40-73.2162.680.400107.9
2K55.7Low57.8Low211 Ų211175.1 Ų175.192%0.91784%0.842SS**  trans-82.4122.6169.6-76.4-177.2174.9-178.20106.7E4K2-E4 PolarHBondContact O-N 2.78Å
3K57.4Low60.1Low200 Ų200166 Ų16687%0.8780%0.804SS**  trans-67.8117.4171.2-78-179.8174.1179.90107.1E5K3-E5 PolarHBondContact O-N 2.98Å
4E56.7Low62.3Low191 Ų191159 Ų15989%0.89378%0.78SS**  trans-63.2112.9161.1-82.2174.3146.600107.2K2 K6K2-E4 PolarHBondContact O-N 2.78Å; E4-K6 PolarHBondContact O-N 3.02Å; E4-K6 VanDerWaalsContact O-N 3.13Å
5E51.9Low64.5Low174 Ų174150.7 Ų150.781%0.81374%0.739SS**  trans-64.6109.9166.1-71.6-179.7157.400107K3 N7K3-E5 PolarHBondContact O-N 2.98Å; E5-N7 PolarHBondContact O-N 3.2Å
6K55.3Low66.5Low196 Ų196149.5 Ų149.585%0.85273%0.725SS**  trans-57.7108.1165.2-83.9-177.4173.2-177.70106.8E4 E8E4-K6 PolarHBondContact O-N 3.02Å; E4-K6 VanDerWaalsContact O-N 3.13Å; K6-E8 PolarHBondContact O-N 3.2Å
7N53.4Low68.3Low157 Ų157140.7 Ų140.784%0.8468%0.682SS**  trans-63.991.2163.9-74.8-51000107.2E5 S9E5-N7 PolarHBondContact O-N 3.2Å; N7-S9 PolarHBondContact O-N 3.33Å
8E54.7Low69.9Low184 Ų184136.7 Ų136.786%0.8667%0.669SS**  trans-59.9105.6164.7-85.3178.8165.900107.2K6 K10K6-E8 PolarHBondContact O-N 3.2Å; E8-K10 PolarHBondContact O-N 3.15Å; E8-K10 VanDerWaalsContact O-N 3.09Å
9S61.7Low71.2Confident112 Ų112137.1 Ų137.178%0.78367%0.667SS**  trans-58.8114.7171.452.70000107.6N7N7-S9 PolarHBondContact O-N 3.33Å
10K62.1Low72.4Confident182 Ų182132.5 Ų132.579%0.79165%0.649SS**  trans-48.4142.2172.9-67.2-179-179.5179.60109.3E8 K12E8-K10 PolarHBondContact O-N 3.15Å; E8-K10 VanDerWaalsContact O-N 3.09Å; K10-K12 PolarHBondContact O-N 3.1Å
11P63.6Low73.5Confident91 Ų91128.3 Ų128.359%0.59164%0.64SS**  trans-57.3114178.323.3-32.6000109V13 Y27P11-V13 PolarHBondContact O-N 2.84Å; P11-Y27 HydrophobicContact CG-CE2 4.27Å; P11-Y27 WeakPolarHBondContact O-CD2 3.39Å; P11-Y27 WeakPolarHBondContact O-CE2 3.11Å
12K72.4Confident75.7Confident159 Ų159119.1 Ų119.169%0.69160%0.598SS**  trans-79.3104.3178.9-171.1174.9-175.5177.20108.4K10K10-K12 PolarHBondContact O-N 3.1Å
13V87.1Confident77.6Confident57 Ų57113.5 Ų113.535%0.34558%0.581SS.*  trans-99.9102174.2176.40000107.2P11 L26 Y27P11-V13 PolarHBondContact O-N 2.84Å; V13-L26 HydrophobicContact CG1-CB 4.35Å; V13-L26 HydrophobicContact CG1-CD1 3.95Å; V13-L26 HydrophobicContact CG1-CG 4.44Å; V13-L26 WeakPolarHBondContact O-CB 3.09Å; V13-L26 WeakPolarHBondContact O-CG 3.23Å; V13-L26 PolarHBondContact O-N 2.82Å; V13-Y27 HydrophobicContact CB-CD2 4.06Å; V13-Y27 HydrophobicContact CB-CE2 3.73Å; V13-Y27 HydrophobicContact CG2-CD2 4.23Å; V13-Y27 HydrophobicContact CG2-CE2 3.45Å; V13-Y27 VanDerWaalsContact CG2-CE2 3.45Å
14S91.4Very high79.4Confident68 Ų68104.6 Ų104.648%0.47654%0.543SS..EExtended strand (participates in β ladder)trans-106.4141.3-176.259.20000113.2V24S14-V24 CarbonylContact C-O 3.55Å; S14-V24 WeakPolarHBondContact CA-O 3.48Å
15E94Very high81.1Confident35 Ų3597.5 Ų97.516%0.16451%0.512CS..EExtended strand (participates in β ladder)trans-125.7137.5176.5-171.9-179.4168.200110.6L17 T23 V24 L26 R43 R44E15-L17 HydrophobicContact CG-CD2 4.46Å; E15-T23 WeakPolarHBondContact O-CA 3.39Å; E15-V24 PolarHBondContact N-O 3.23Å; E15-V24 PolarHBondContact O-N 3.37Å; E15-L26 HydrophobicContact CB-CD1 4.06Å; E15-L26 HydrophobicContact CB-CD2 3.95Å; E15-L26 HydrophobicContact CB-CG 4.12Å; E15-R43 IonicContact OE1-CZ 2.84Å; E15-R43 IonicContact OE1-NE 2.79Å; E15-R43 PolarHBondContact OE1-NE 3.02Å; E15-R43 IonicContact OE1-NH2 2.96Å; E15-R43 PolarHBondContact OE1-NH2 3.28Å; E15-R44 IonicContact OE1-NH1 2.96Å; E15-R44 IonicContact OE2-CZ 2.72Å; E15-R44 IonicContact OE2-NH1 3.34Å; E15-R44 PolarHBondContact OE2-NH1 3.5Å; E15-R44 IonicContact OE2-NH2 3.97Å; E15-R44 PolarHBondContact OE2-NH2 3.32Å
16Y97.1Very high83.1Confident131 Ų13189.8 Ų89.851%0.51448%0.476SS..EExtended strand (participates in β ladder)trans-84.1126.4171.2179.6-103.4000110.7P18 V22Y16-P18 HydrophobicContact CD1-CB 4.5Å; Y16-P18 HydrophobicContact CE1-CB 4.03Å; Y16-P18 WeakPolarHBondContact O-CD 3.42Å; Y16-V22 WeakPolarHBondContact CD2-O 3.26Å
17L97Very high84.8Confident0 Ų083.7 Ų83.70%045%0.448CS..EExtended strand (participates in β ladder)trans-101.2101.6178.9-63-171000109.6E15 K19 C20 G21 V22 V24 Q36 E39 I40E15-L17 HydrophobicContact CG-CD2 4.46Å; L17-K19 PolarHBondContact O-N 3.08Å; L17-C20 HydrophobicContact CB-CB 4.31Å; L17-C20 PolarHBondContact O-N 3.12Å; L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.48Å; L17-V22 PolarHBondContact N-O 2.98Å; L17-V22 PolarHBondContact O-N 3.47Å; L17-V24 HydrophobicContact CD1-CG1 3.78Å; L17-V24 HydrophobicContact CD1-CG2 3.86Å; L17-V24 HydrophobicContact CD2-CG2 4.47Å; L17-V24 HydrophobicContact CG-CG1 4.32Å; L17-V24 HydrophobicContact CG-CG2 3.97Å; L17-Q36 HydrophobicContact CD1-CB 3.62Å; L17-Q36 HydrophobicContact CD1-CG 3.93Å; L17-E39 WeakPolarHBondContact CB-OE2 3.45Å; L17-E39 HydrophobicContact CD2-CG 4.38Å; L17-I40 HydrophobicContact CD1-CD1 4.15Å; L17-I40 HydrophobicContact CD1-CG1 4.09Å; L17-I40 HydrophobicContact CD2-CD1 4.35Å; L17-I40 HydrophobicContact CD2-CG1 3.64Å
18P96.6Very high86.6Confident69 Ų6977.7 Ų77.745%0.44842%0.418SS..THydrogen-bonded Turntrans-65.3-29-173.223.9-35.4000115.3Y16 E39Y16-P18 HydrophobicContact CD1-CB 4.5Å; Y16-P18 HydrophobicContact CE1-CB 4.03Å; Y16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-E39 WeakPolarHBondContact CD-OE1 3.46Å; P18-E39 WeakPolarHBondContact CG-OE1 3.24Å; P18-E39 VanDerWaalsContact N-OE1 3.08Å
19K95.8Very high88.5Confident143 Ų14369 Ų6962%0.62238%0.377SS*.THydrogen-bonded Turntrans-74.3-39.7177.9-55.1177.4174.3-170.60111.1L17 E39 E42L17-K19 PolarHBondContact O-N 3.08Å; K19-E39 VanDerWaalsContact CB-OE2 3.24Å; K19-E39 WeakPolarHBondContact CB-OE2 3.49Å; K19-E39 HydrophobicContact CD-CG 4.17Å; K19-E39 HydrophobicContact CG-CG 4.36Å; K19-E39 WeakPolarHBondContact CG-OE1 3.36Å; K19-E39 PolarHBondContact N-OE1 3.47Å; K19-E39 PolarHBondContact N-OE2 2.82Å; K19-E42 IonicContact NZ-OE1 3.81Å; K19-E42 IonicContact NZ-OE2 2.57Å; K19-E42 PolarHBondContact NZ-OE2 3.1Å
20C94.1Very high90.1Very high45 Ų4568.4 Ų68.430%0.30436%0.362SS..THydrogen-bonded Turntrans-82.6-17.7176.5-61.70000113.8L17 V22 Q36 E39L17-C20 HydrophobicContact CB-CB 4.31Å; L17-C20 PolarHBondContact O-N 3.12Å; C20-V22 VanDerWaalsContact C-N 3.32Å; C20-V22 HydrophobicContact CB-CG2 3.79Å; C20-V22 PolarHBondContact O-N 3.04Å; C20-Q36 HydrophobicContact CB-CG 4.04Å; C20-E39 PolarHBondContact N-OE2 3.07Å; C20-E39 VanDerWaalsContact N-OE2 3.1Å; C20-E39 PolarHBondContact SG-OE2 3.45Å
21G95.4Very high91.6Very high45 Ų4567.2 Ų67.246%0.46436%0.36SS..THydrogen-bonded Turntrans70.622.3-179.700000114.6L17L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.48Å
22V96Very high93.1Very high52 Ų5263.3 Ų63.332%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-128.1158.1-173.3-63.50000112.2Y16 L17 C20 V24 Q36Y16-V22 WeakPolarHBondContact CD2-O 3.26Å; L17-V22 PolarHBondContact N-O 2.98Å; L17-V22 PolarHBondContact O-N 3.47Å; C20-V22 VanDerWaalsContact C-N 3.32Å; C20-V22 HydrophobicContact CB-CG2 3.79Å; C20-V22 PolarHBondContact O-N 3.04Å; V22-V24 HydrophobicContact CG2-CG1 4Å; V22-Q36 HydrophobicContact CG2-CG 4.21Å
23T96.1Very high94.2Very high92 Ų9258.1 Ų58.156%0.56432%0.317SS*.EExtended strand (participates in β ladder)trans-101.6126.6169.4-58.30000109.2E15E15-T23 WeakPolarHBondContact O-CA 3.39Å
24V94.4Very high94.6Very high13 Ų1358.8 Ų58.88%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-114.3153.3-177.3-58.80000111.3S14 E15 L17 V22 L26 M32 Q36 I40S14-V24 CarbonylContact C-O 3.55Å; S14-V24 WeakPolarHBondContact CA-O 3.48Å; E15-V24 PolarHBondContact N-O 3.23Å; E15-V24 PolarHBondContact O-N 3.37Å; L17-V24 HydrophobicContact CD1-CG1 3.78Å; L17-V24 HydrophobicContact CD1-CG2 3.86Å; L17-V24 HydrophobicContact CD2-CG2 4.47Å; L17-V24 HydrophobicContact CG-CG1 4.32Å; L17-V24 HydrophobicContact CG-CG2 3.97Å; V22-V24 HydrophobicContact CG2-CG1 4Å; V24-L26 HydrophobicContact CG2-CD2 4.15Å; V24-M32 HydrophobicContact CB-CE 3.97Å; V24-M32 HydrophobicContact CB-CG 4.3Å; V24-M32 HydrophobicContact CB-SD 4.18Å; V24-M32 HydrophobicContact CG1-CG 4.42Å; V24-M32 HydrophobicContact CG2-CE 3.87Å; V24-M32 HydrophobicContact CG2-SD 4.08Å; V24-Q36 HydrophobicContact CG1-CG 4.39Å; V24-I40 HydrophobicContact CG2-CD1 4.14Å
25D92.8Very high94.7Very high43 Ų4360.9 Ų60.923%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-91.6114.3173.4-174.9-11.5000110.4Y27 C28 M32D25-Y27 PolarHBondContact O-N 3.06Å; D25-Y27 VanDerWaalsContact O-N 3.16Å; D25-Y27 PolarHBondContact OD1-N 2.78Å; D25-C28 HydrophobicContact CB-CB 4.5Å; D25-C28 PolarHBondContact O-N 2.84Å; D25-C28 VanDerWaalsContact O-N 3.08Å; D25-M32 WeakPolarHBondContact O-CE 3.16Å
26L93.3Very high94.9Very high12 Ų1260.8 Ų60.86%0.06332%0.324CS..THydrogen-bonded Turntrans-68.5-10.1-175.2-61.4-173.3000114.1V13 E15 V24 M32 I40 R44 Y63 P69V13-L26 HydrophobicContact CG1-CB 4.35Å; V13-L26 HydrophobicContact CG1-CD1 3.95Å; V13-L26 HydrophobicContact CG1-CG 4.44Å; V13-L26 WeakPolarHBondContact O-CB 3.09Å; V13-L26 WeakPolarHBondContact O-CG 3.23Å; V13-L26 PolarHBondContact O-N 2.82Å; E15-L26 HydrophobicContact CB-CD1 4.06Å; E15-L26 HydrophobicContact CB-CD2 3.95Å; E15-L26 HydrophobicContact CB-CG 4.12Å; V24-L26 HydrophobicContact CG2-CD2 4.15Å; L26-M32 HydrophobicContact CD2-CE 4.31Å; L26-I40 HydrophobicContact CD2-CD1 4.18Å; L26-R44 VanDerWaalsContact CD1-NH2 3.27Å; L26-Y63 WeakPolarHBondContact CA-OH 3.18Å; L26-Y63 WeakPolarHBondContact CB-OH 3.36Å; L26-Y63 WeakPolarHBondContact CD2-OH 3.48Å; L26-Y63 WeakPolarHBondContact O-CE1 3.48Å; L26-Y63 PolarHBondContact O-OH 2.81Å; L26-P69 HydrophobicContact CB-CG 3.96Å
27Y91.9Very high94.8Very high68 Ų6854.6 Ų54.627%0.26730%0.299SS..THydrogen-bonded Turntrans-91.8-4.5172.7-73.4-69.2000114.1P11 V13 D25 P29 I68 P69P11-Y27 HydrophobicContact CG-CE2 4.27Å; P11-Y27 WeakPolarHBondContact O-CD2 3.39Å; P11-Y27 WeakPolarHBondContact O-CE2 3.11Å; V13-Y27 HydrophobicContact CB-CD2 4.06Å; V13-Y27 HydrophobicContact CB-CE2 3.73Å; V13-Y27 HydrophobicContact CG2-CD2 4.23Å; V13-Y27 HydrophobicContact CG2-CE2 3.45Å; V13-Y27 VanDerWaalsContact CG2-CE2 3.45Å; D25-Y27 PolarHBondContact O-N 3.06Å; D25-Y27 VanDerWaalsContact O-N 3.16Å; D25-Y27 PolarHBondContact OD1-N 2.78Å; Y27-P29 VanDerWaalsContact C-CD 3.45Å; Y27-P29 WeakPolarHBondContact O-CD 3.49Å; Y27-I68 HydrophobicContact CD1-CD1 4.29Å; Y27-P69 HydrophobicContact CE1-CB 4Å; Y27-P69 HydrophobicContact CE1-CG 4.33Å
28C92.1Very high94.8Very high31 Ų3157.4 Ų57.421%0.20931%0.314CS..  trans-12662.6-177.8-59.10000111.9D25 E30 Q31D25-C28 HydrophobicContact CB-CB 4.5Å; D25-C28 PolarHBondContact O-N 2.84Å; D25-C28 VanDerWaalsContact O-N 3.08Å; C28-E30 PolarHBondContact O-N 2.89Å; C28-Q31 HydrophobicContact CB-CB 4.39Å; C28-Q31 HydrophobicContact CB-CG 4.08Å; C28-Q31 PolarHBondContact O-N 3.05Å; C28-Q31 VanDerWaalsContact O-N 3.11Å
29P94.4Very high94.8Very high0 Ų054.4 Ų54.40%029%0.294CS..G310 helixtrans-60.8-25.3-178.527.3-35.9000113.8Y27 Q31 M32 L37 V60 Y63 Y64Y27-P29 VanDerWaalsContact C-CD 3.45Å; Y27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-Q31 PolarHBondContact O-N 3.17Å; P29-M32 WeakPolarHBondContact O-CB 3.42Å; P29-M32 PolarHBondContact O-N 2.96Å; P29-M32 VanDerWaalsContact O-N 3.13Å; P29-L37 HydrophobicContact CB-CD2 4.06Å; P29-V60 HydrophobicContact CB-CG1 4.41Å; P29-V60 HydrophobicContact CB-CG2 4.46Å; P29-V60 HydrophobicContact CG-CG1 4.16Å; P29-Y63 HydrophobicContact CB-CD1 3.64Å; P29-Y63 HydrophobicContact CB-CD2 4.24Å; P29-Y63 HydrophobicContact CB-CE1 4.02Å; P29-Y63 HydrophobicContact CB-CG 3.79Å; P29-Y63 HydrophobicContact CG-CD1 3.76Å; P29-Y63 HydrophobicContact CG-CE1 4.15Å; P29-Y63 HydrophobicContact CG-CG 4.33Å; P29-Y64 HydrophobicContact CG-CD2 4.5Å; P29-Y64 HydrophobicContact CG-CE1 4.17Å; P29-Y64 HydrophobicContact CG-CE2 3.78Å
30E94.8Very high94.8Very high101 Ų10147.6 Ų47.647%0.47226%0.264SS..G310 helixtrans-66.7-22177.2-57.586167.600113.4C28 M32 V60 Y64C28-E30 PolarHBondContact O-N 2.89Å; E30-M32 VanDerWaalsContact C-N 3.3Å; E30-V60 HydrophobicContact CG-CG1 4.1Å; E30-Y64 WeakPolarHBondContact OE1-CE2 3.45Å; E30-Y64 PolarHBondContact OE1-OH 3.15Å; E30-Y64 PolarHBondContact OE2-OH 3.45Å
31Q94Very high95Very high157 Ų15745.4 Ų45.473%0.73425%0.25SC*.G310 helixtrans-86.7-6.1178.2-59.8-179.219.300112.1C28 P29C28-Q31 HydrophobicContact CB-CB 4.39Å; C28-Q31 HydrophobicContact CB-CG 4.08Å; C28-Q31 PolarHBondContact O-N 3.05Å; C28-Q31 VanDerWaalsContact O-N 3.11Å; P29-Q31 PolarHBondContact O-N 3.17Å
32M94.6Very high95Very high8 Ų846.6 Ų46.64%0.03924%0.243CC..SBendtrans-89.4146.7-178.8-58.1-176.3-163.200111.2V24 D25 L26 P29 E30 Q36 L37 I40V24-M32 HydrophobicContact CB-CE 3.97Å; V24-M32 HydrophobicContact CB-CG 4.3Å; V24-M32 HydrophobicContact CB-SD 4.18Å; V24-M32 HydrophobicContact CG1-CG 4.42Å; V24-M32 HydrophobicContact CG2-CE 3.87Å; V24-M32 HydrophobicContact CG2-SD 4.08Å; D25-M32 WeakPolarHBondContact O-CE 3.16Å; L26-M32 HydrophobicContact CD2-CE 4.31Å; P29-M32 WeakPolarHBondContact O-CB 3.42Å; P29-M32 PolarHBondContact O-N 2.96Å; P29-M32 VanDerWaalsContact O-N 3.13Å; E30-M32 VanDerWaalsContact C-N 3.3Å; M32-Q36 HydrophobicContact CB-CB 4.13Å; M32-L37 HydrophobicContact CB-CD1 4.48Å; M32-L37 HydrophobicContact CB-CD2 4.09Å; M32-L37 HydrophobicContact CB-CG 3.9Å; M32-L37 HydrophobicContact CG-CD2 4.49Å; M32-L37 HydrophobicContact SD-CD2 3.76Å; M32-L37 HydrophobicContact SD-CG 4.44Å; M32-I40 HydrophobicContact CE-CD1 4.17Å; M32-I40 HydrophobicContact SD-CD1 3.44Å; M32-I40 WeakPolarHBondContact SD-CD1 3.2Å
33S95Very high94.9Very high51 Ų5150.4 Ų50.436%0.35725%0.252SS..  trans-71.6160.5168.8750000111.1D35 Q36 L37S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 PolarHBondContact O-N 2.61Å; S33-Q36 WeakPolarHBondContact O-CB 3.26Å; S33-Q36 PolarHBondContact O-N 3.15Å; S33-Q36 VanDerWaalsContact O-N 3.13Å; S33-Q36 VanDerWaalsContact OG-CG 3.28Å; S33-Q36 WeakPolarHBondContact OG-CG 3.42Å; S33-Q36 PolarHBondContact OG-N 3.36Å; S33-L37 PolarHBondContact O-N 3.17Å; S33-L37 VanDerWaalsContact O-N 3.07Å
34I95.1Very high94.9Very high71 Ų7149.7 Ų49.736%0.36424%0.239SC..Hα-helixtrans-53.9-44.9175.1-68.4176.4000110.7Q36 L37 L38 L56 I59I34-Q36 VanDerWaalsContact C-N 3.32Å; I34-Q36 PolarHBondContact O-N 3.32Å; I34-L37 PolarHBondContact O-N 2.99Å; I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.16Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.3Å; I34-L56 HydrophobicContact CD1-CB 4.43Å; I34-L56 HydrophobicContact CG1-CB 4.23Å; I34-L56 HydrophobicContact CG1-CD1 4.01Å; I34-I59 HydrophobicContact CG1-CD1 4.4Å; I34-I59 HydrophobicContact CG2-CD1 3.8Å
35D95.5Very high94.9Very high112 Ų11252 Ų5260%0.59927%0.265SS*.Hα-helixtrans-61.1-39.5179.6-64.3-33.9000112.8S33 L38 E39S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 PolarHBondContact O-N 2.61Å; D35-L38 PolarHBondContact O-N 3.3Å; D35-E39 WeakPolarHBondContact O-CB 3.28Å; D35-E39 PolarHBondContact O-N 2.94Å
36Q96.5Very high95Very high33 Ų3353.6 Ų53.615%0.15427%0.271CS..Hα-helixtrans-65.3-44.1177.7-70165.3-1.600111.1L17 C20 V22 V24 M32 S33 I34 E39 I40L17-Q36 HydrophobicContact CD1-CB 3.62Å; L17-Q36 HydrophobicContact CD1-CG 3.93Å; C20-Q36 HydrophobicContact CB-CG 4.04Å; V22-Q36 HydrophobicContact CG2-CG 4.21Å; V24-Q36 HydrophobicContact CG1-CG 4.39Å; M32-Q36 HydrophobicContact CB-CB 4.13Å; S33-Q36 WeakPolarHBondContact O-CB 3.26Å; S33-Q36 PolarHBondContact O-N 3.15Å; S33-Q36 VanDerWaalsContact O-N 3.13Å; S33-Q36 VanDerWaalsContact OG-CG 3.28Å; S33-Q36 WeakPolarHBondContact OG-CG 3.42Å; S33-Q36 PolarHBondContact OG-N 3.36Å; I34-Q36 VanDerWaalsContact C-N 3.32Å; I34-Q36 PolarHBondContact O-N 3.32Å; Q36-E39 PolarHBondContact O-N 3.2Å; Q36-I40 WeakPolarHBondContact O-CG1 3.4Å; Q36-I40 PolarHBondContact O-N 2.89Å
37L96.6Very high95Very high0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-63.5-46.7175.6-68.5167.1000110.9P29 M32 S33 I34 E39 I40 F41 L56 I59 V60 Y63P29-L37 HydrophobicContact CB-CD2 4.06Å; M32-L37 HydrophobicContact CB-CD1 4.48Å; M32-L37 HydrophobicContact CB-CD2 4.09Å; M32-L37 HydrophobicContact CB-CG 3.9Å; M32-L37 HydrophobicContact CG-CD2 4.49Å; M32-L37 HydrophobicContact SD-CD2 3.76Å; M32-L37 HydrophobicContact SD-CG 4.44Å; S33-L37 PolarHBondContact O-N 3.17Å; S33-L37 VanDerWaalsContact O-N 3.07Å; I34-L37 PolarHBondContact O-N 2.99Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 2.95Å; L37-I40 WeakPolarHBondContact O-CA 3.4Å; L37-I40 WeakPolarHBondContact O-CB 3.5Å; L37-I40 PolarHBondContact O-N 2.57Å; L37-F41 VanDerWaalsContact O-CD2 3.22Å; L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 3.28Å; L37-L56 HydrophobicContact CD1-CD1 3.52Å; L37-I59 HydrophobicContact CB-CG2 3.59Å; L37-I59 HydrophobicContact CD1-CB 4.28Å; L37-I59 HydrophobicContact CD1-CG2 3.81Å; L37-I59 HydrophobicContact CG-CG2 4.24Å; L37-V60 HydrophobicContact CD1-CG2 3.98Å; L37-Y63 HydrophobicContact CD2-CD2 3.71Å; L37-Y63 HydrophobicContact CD2-CE2 4.21Å; L37-Y63 HydrophobicContact CD2-CG 4.37Å
38L96.1Very high95.1Very high59 Ų5960.2 Ų60.231%0.30931%0.312SS..Hα-helixtrans-59.4-40.9178-69.3179000112.1I34 D35 I40 F41 E42 V50 I59I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.16Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.3Å; D35-L38 PolarHBondContact O-N 3.3Å; L38-I40 VanDerWaalsContact C-N 3.34Å; L38-I40 PolarHBondContact O-N 2.72Å; L38-F41 PolarHBondContact O-N 3.41Å; L38-E42 WeakPolarHBondContact O-CB 3.33Å; L38-E42 PolarHBondContact O-N 3.33Å; L38-V50 HydrophobicContact CD2-CB 3.67Å; L38-V50 HydrophobicContact CD2-CG1 4.4Å; L38-V50 HydrophobicContact CD2-CG2 3.58Å; L38-I59 HydrophobicContact CD2-CD1 4.32Å
39E96.6Very high95.2Very high6 Ų661.6 Ų61.63%0.02832%0.317CS..Hα-helixtrans-60.6-43.4173.6178.3170.8-17200111.6L17 P18 K19 C20 D35 Q36 L37 E42 R43L17-E39 WeakPolarHBondContact CB-OE2 3.45Å; L17-E39 HydrophobicContact CD2-CG 4.38Å; P18-E39 WeakPolarHBondContact CD-OE1 3.46Å; P18-E39 WeakPolarHBondContact CG-OE1 3.24Å; P18-E39 VanDerWaalsContact N-OE1 3.08Å; K19-E39 VanDerWaalsContact CB-OE2 3.24Å; K19-E39 WeakPolarHBondContact CB-OE2 3.49Å; K19-E39 HydrophobicContact CD-CG 4.17Å; K19-E39 HydrophobicContact CG-CG 4.36Å; K19-E39 WeakPolarHBondContact CG-OE1 3.36Å; K19-E39 PolarHBondContact N-OE1 3.47Å; K19-E39 PolarHBondContact N-OE2 2.82Å; C20-E39 PolarHBondContact N-OE2 3.07Å; C20-E39 VanDerWaalsContact N-OE2 3.1Å; C20-E39 PolarHBondContact SG-OE2 3.45Å; D35-E39 WeakPolarHBondContact O-CB 3.28Å; D35-E39 PolarHBondContact O-N 2.94Å; Q36-E39 PolarHBondContact O-N 3.2Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 2.95Å; E39-E42 PolarHBondContact O-N 2.88Å; E39-R43 HydrophobicContact CG-CG 4.26Å; E39-R43 WeakPolarHBondContact O-CB 3.39Å; E39-R43 WeakPolarHBondContact O-CD 3.37Å; E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 3.13Å
40I96.6Very high95.2Very high0 Ų062 Ų620%032%0.32CS..Hα-helixtrans-59.6-48.7175.4-74.2166.6000111.1L17 V24 L26 M32 Q36 L37 L38 E42 R43 R44 Y63 L67L17-I40 HydrophobicContact CD1-CD1 4.15Å; L17-I40 HydrophobicContact CD1-CG1 4.09Å; L17-I40 HydrophobicContact CD2-CD1 4.35Å; L17-I40 HydrophobicContact CD2-CG1 3.64Å; V24-I40 HydrophobicContact CG2-CD1 4.14Å; L26-I40 HydrophobicContact CD2-CD1 4.18Å; M32-I40 HydrophobicContact CE-CD1 4.17Å; M32-I40 HydrophobicContact SD-CD1 3.44Å; M32-I40 WeakPolarHBondContact SD-CD1 3.2Å; Q36-I40 WeakPolarHBondContact O-CG1 3.4Å; Q36-I40 PolarHBondContact O-N 2.89Å; L37-I40 WeakPolarHBondContact O-CA 3.4Å; L37-I40 WeakPolarHBondContact O-CB 3.5Å; L37-I40 PolarHBondContact O-N 2.57Å; L38-I40 VanDerWaalsContact C-N 3.34Å; L38-I40 PolarHBondContact O-N 2.72Å; I40-E42 VanDerWaalsContact C-N 3.34Å; I40-E42 PolarHBondContact O-N 3.03Å; I40-R43 PolarHBondContact O-N 3.5Å; I40-R44 WeakPolarHBondContact O-CB 3.37Å; I40-R44 WeakPolarHBondContact O-CG 3.43Å; I40-R44 PolarHBondContact O-N 3.06Å; I40-Y63 HydrophobicContact CD1-CE2 4.14Å; I40-Y63 HydrophobicContact CG2-CD2 4.2Å; I40-Y63 HydrophobicContact CG2-CE2 3.66Å; I40-L67 HydrophobicContact CG2-CD1 3.6Å
41F96.8Very high95Very high0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-60.8-43.3178.3-85.6-84.8000111.5L37 L38 R44 G45 F46 L49 V50 I59 L62 Y63 L67L37-F41 VanDerWaalsContact O-CD2 3.22Å; L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 3.28Å; L38-F41 PolarHBondContact O-N 3.41Å; F41-R44 PolarHBondContact O-N 2.94Å; F41-G45 PolarHBondContact O-N 3.08Å; F41-G45 VanDerWaalsContact O-N 3.15Å; F41-F46 HydrophobicContact CD1-CB 3.62Å; F41-F46 HydrophobicContact CE1-CB 4.4Å; F41-F46 WeakPolarHBondContact O-CA 3.37Å; F41-F46 PolarHBondContact O-N 3.4Å; F41-L49 HydrophobicContact CD1-CD2 4.42Å; F41-L49 HydrophobicContact CE1-CD2 3.88Å; F41-V50 HydrophobicContact CB-CG1 4.07Å; F41-V50 HydrophobicContact CB-CG2 3.77Å; F41-V50 HydrophobicContact CD1-CG1 3.57Å; F41-V50 HydrophobicContact CD2-CG1 3.52Å; F41-V50 HydrophobicContact CE1-CG1 3.84Å; F41-V50 HydrophobicContact CE2-CG1 3.78Å; F41-V50 HydrophobicContact CG-CB 4.42Å; F41-V50 HydrophobicContact CG-CG1 3.43Å; F41-V50 VanDerWaalsContact CG-CG1 3.43Å; F41-V50 HydrophobicContact CG-CG2 4.11Å; F41-V50 HydrophobicContact CZ-CG1 3.93Å; F41-I59 HydrophobicContact CD2-CG2 4.15Å; F41-I59 HydrophobicContact CE2-CG2 3.65Å; F41-L62 HydrophobicContact CE1-CB 4.12Å; F41-L62 HydrophobicContact CZ-CB 3.67Å; F41-Y63 HydrophobicContact CE2-CD2 4.44Å; F41-L67 HydrophobicContact CD1-CD1 3.73Å; F41-L67 HydrophobicContact CD1-CG 4.44Å; F41-L67 HydrophobicContact CD2-CD1 3.94Å; F41-L67 HydrophobicContact CE1-CD1 3.6Å; F41-L67 HydrophobicContact CE1-CG 4.03Å; F41-L67 HydrophobicContact CE2-CD1 3.83Å; F41-L67 HydrophobicContact CG-CD1 3.87Å; F41-L67 HydrophobicContact CZ-CD1 3.66Å; F41-L67 HydrophobicContact CZ-CG 4.26Å
42E95.4Very high94.7Very high69 Ų6960.9 Ų60.932%0.32233%0.328SS..Hα-helixtrans-64.2-46.2177.6-178.4169.6-14700112.1K19 L38 E39 I40 R44 G45 K47K19-E42 IonicContact NZ-OE1 3.81Å; K19-E42 IonicContact NZ-OE2 2.57Å; K19-E42 PolarHBondContact NZ-OE2 3.1Å; L38-E42 WeakPolarHBondContact O-CB 3.33Å; L38-E42 PolarHBondContact O-N 3.33Å; E39-E42 PolarHBondContact O-N 2.88Å; I40-E42 VanDerWaalsContact C-N 3.34Å; I40-E42 PolarHBondContact O-N 3.03Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 2.95Å; E42-G45 PolarHBondContact O-N 3.48Å; E42-G45 VanDerWaalsContact O-N 3.08Å; E42-K47 HydrophobicContact CG-CD 4.13Å; E42-K47 IonicContact OE1-NZ 2.82Å; E42-K47 PolarHBondContact OE1-NZ 3.04Å
43R95.1Very high94.3Very high132 Ų13261.7 Ų61.750%0.49833%0.334SS..Hα-helixtrans-62.7-32.9178.5-72.8168.458.572.22.2112.7E15 E39 I40 G45E15-R43 IonicContact OE1-CZ 2.84Å; E15-R43 IonicContact OE1-NE 2.79Å; E15-R43 PolarHBondContact OE1-NE 3.02Å; E15-R43 IonicContact OE1-NH2 2.96Å; E15-R43 PolarHBondContact OE1-NH2 3.28Å; E39-R43 HydrophobicContact CG-CG 4.26Å; E39-R43 WeakPolarHBondContact O-CB 3.39Å; E39-R43 WeakPolarHBondContact O-CD 3.37Å; E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 3.13Å; I40-R43 PolarHBondContact O-N 3.5Å; R43-G45 VanDerWaalsContact C-N 3.33Å
44R94.6Very high93.8Very high77 Ų7765.9 Ų65.929%0.29135%0.352SS..THydrogen-bonded Turntrans-86.50.1177-66.6178.8177.155.4-0.1113.5E15 L26 I40 F41 E42 F46 L67E15-R44 IonicContact OE1-NH1 2.96Å; E15-R44 IonicContact OE2-CZ 2.72Å; E15-R44 IonicContact OE2-NH1 3.34Å; E15-R44 PolarHBondContact OE2-NH1 3.5Å; E15-R44 IonicContact OE2-NH2 3.97Å; E15-R44 PolarHBondContact OE2-NH2 3.32Å; L26-R44 VanDerWaalsContact CD1-NH2 3.27Å; I40-R44 WeakPolarHBondContact O-CB 3.37Å; I40-R44 WeakPolarHBondContact O-CG 3.43Å; I40-R44 PolarHBondContact O-N 3.06Å; F41-R44 PolarHBondContact O-N 2.94Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 2.95Å; R44-F46 HydrophobicContact CB-CD2 3.83Å; R44-F46 HydrophobicContact CB-CE2 4.27Å; R44-F46 WeakPolarHBondContact O-CD2 3.5Å; R44-L67 HydrophobicContact CB-CD2 4.06Å; R44-L67 HydrophobicContact CG-CD2 4.36Å
45G95.4Very high93.8Very high62 Ų6265.6 Ų65.664%0.63935%0.353SS*.THydrogen-bonded Turntrans83.311.617700000115.4F41 E42 R43F41-G45 PolarHBondContact O-N 3.08Å; F41-G45 VanDerWaalsContact O-N 3.15Å; E42-G45 PolarHBondContact O-N 3.48Å; E42-G45 VanDerWaalsContact O-N 3.08Å; R43-G45 VanDerWaalsContact C-N 3.33Å
46F95.3Very high93.8Very high77 Ų7763.5 Ų63.534%0.33834%0.342SS..  trans-101.824.9-179.1-67.2-80.1000113.1F41 R44 S48 L49 L67F41-F46 HydrophobicContact CD1-CB 3.62Å; F41-F46 HydrophobicContact CE1-CB 4.4Å; F41-F46 WeakPolarHBondContact O-CA 3.37Å; F41-F46 PolarHBondContact O-N 3.4Å; R44-F46 HydrophobicContact CB-CD2 3.83Å; R44-F46 HydrophobicContact CB-CE2 4.27Å; R44-F46 WeakPolarHBondContact O-CD2 3.5Å; F46-S48 PolarHBondContact O-N 2.84Å; F46-S48 VanDerWaalsContact O-N 3.17Å; F46-L49 HydrophobicContact CB-CB 4.39Å; F46-L49 HydrophobicContact CD1-CD2 4.43Å; F46-L49 VanDerWaalsContact O-CB 3.28Å; F46-L49 WeakPolarHBondContact O-CB 3.41Å; F46-L49 PolarHBondContact O-N 3.49Å; F46-L67 HydrophobicContact CD2-CD2 3.43Å; F46-L67 VanDerWaalsContact CD2-CD2 3.43Å; F46-L67 HydrophobicContact CE2-CD2 3.57Å; F46-L67 HydrophobicContact CG-CD2 4.3Å
47K93.7Very high93.7Very high124 Ų12468.9 Ų68.954%0.53937%0.367SS..THydrogen-bonded Turntrans-54.7-36.1-179.2-172.9174.8-173.1163.20113.4E42 L49 V50 S51E42-K47 HydrophobicContact CG-CD 4.13Å; E42-K47 IonicContact OE1-NZ 2.82Å; E42-K47 PolarHBondContact OE1-NZ 3.04Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 3.09Å; K47-V50 WeakPolarHBondContact O-CG2 3.27Å; K47-S51 PolarHBondContact O-N 2.98Å
48S94.1Very high93.7Very high95 Ų9573.4 Ų73.466%0.66439%0.388SS*.THydrogen-bonded Turntrans-64.1-32.6178.650.60000112.9F46 V50 S51F46-S48 PolarHBondContact O-N 2.84Å; F46-S48 VanDerWaalsContact O-N 3.17Å; S48-V50 VanDerWaalsContact C-N 3.35Å; S48-V50 PolarHBondContact O-N 3.15Å; S48-S51 WeakPolarHBondContact O-CB 3.16Å; S48-S51 PolarHBondContact O-N 3.44Å; S48-S51 PolarHBondContact O-OG 3.21Å
49L93.2Very high93.7Very high59 Ų5970.6 Ų70.631%0.30937%0.373SS..THydrogen-bonded Turntrans-69-33.9-176.3-172.665.9000112.5F41 F46 K47 L62 H66F41-L49 HydrophobicContact CD1-CD2 4.42Å; F41-L49 HydrophobicContact CE1-CD2 3.88Å; F46-L49 HydrophobicContact CB-CB 4.39Å; F46-L49 HydrophobicContact CD1-CD2 4.43Å; F46-L49 VanDerWaalsContact O-CB 3.28Å; F46-L49 WeakPolarHBondContact O-CB 3.41Å; F46-L49 PolarHBondContact O-N 3.49Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 3.09Å; L49-L62 HydrophobicContact CD1-CD2 4.09Å; L49-L62 HydrophobicContact CD2-CB 4.43Å; L49-L62 HydrophobicContact CD2-CD2 4.11Å; L49-L62 HydrophobicContact CG-CD1 4.18Å; L49-L62 HydrophobicContact CG-CD2 4.02Å; L49-H66 HydrophobicContact CD2-CB 4.34Å; L49-H66 WeakPolarHBondContact CD2-CD2 3.45Å
50V94.3Very high93.7Very high10 Ų1070.8 Ų70.86%0.06138%0.375CS..THydrogen-bonded Turntrans-96.15.9-179.7-67.10000113.8L38 F41 K47 S48 N52 V53 I59 L62L38-V50 HydrophobicContact CD2-CB 3.67Å; L38-V50 HydrophobicContact CD2-CG1 4.4Å; L38-V50 HydrophobicContact CD2-CG2 3.58Å; F41-V50 HydrophobicContact CB-CG1 4.07Å; F41-V50 HydrophobicContact CB-CG2 3.77Å; F41-V50 HydrophobicContact CD1-CG1 3.57Å; F41-V50 HydrophobicContact CD2-CG1 3.52Å; F41-V50 HydrophobicContact CE1-CG1 3.84Å; F41-V50 HydrophobicContact CE2-CG1 3.78Å; F41-V50 HydrophobicContact CG-CB 4.42Å; F41-V50 HydrophobicContact CG-CG1 3.43Å; F41-V50 VanDerWaalsContact CG-CG1 3.43Å; F41-V50 HydrophobicContact CG-CG2 4.11Å; F41-V50 HydrophobicContact CZ-CG1 3.93Å; K47-V50 WeakPolarHBondContact O-CG2 3.27Å; S48-V50 VanDerWaalsContact C-N 3.35Å; S48-V50 PolarHBondContact O-N 3.15Å; V50-N52 VanDerWaalsContact C-N 3.29Å; V50-N52 PolarHBondContact O-N 3.23Å; V50-V53 PolarHBondContact O-N 2.97Å; V50-I59 HydrophobicContact CG1-CG2 4.37Å; V50-L62 HydrophobicContact CG1-CD1 4.21Å
51S90.1Very high93.6Very high79 Ų7974.7 Ų74.755%0.55240%0.396SS*.THydrogen-bonded Turntrans-63.9-29.5-173.959.10000114.6K47 S48K47-S51 PolarHBondContact O-N 2.98Å; S48-S51 WeakPolarHBondContact O-CB 3.16Å; S48-S51 PolarHBondContact O-N 3.44Å; S48-S51 PolarHBondContact O-OG 3.21Å
52N88.8Confident93.5Very high154 Ų15475.7 Ų75.782%0.82440%0.401SS*.THydrogen-bonded Turntrans-113.512.9-176.3-61.9-44.8000113.1V50V50-N52 VanDerWaalsContact C-N 3.29Å; V50-N52 PolarHBondContact O-N 3.23Å
53V85.9Confident93.6Very high26 Ų2672.4 Ų72.416%0.15839%0.386CS..  trans-97.4130-174-1690000110V50 H58 I59 L62V50-V53 PolarHBondContact O-N 2.97Å; V53-H58 HydrophobicContact CG1-CB 3.49Å; V53-H58 VanDerWaalsContact CG1-CB 3.49Å; V53-I59 HydrophobicContact CB-CG1 3.93Å; V53-I59 HydrophobicContact CG1-CB 4.48Å; V53-I59 HydrophobicContact CG1-CD1 4.28Å; V53-I59 HydrophobicContact CG1-CG1 3.37Å; V53-L62 HydrophobicContact CG2-CD1 3.73Å
54N84.9Confident93.5Very high138 Ų13870.2 Ų70.274%0.73838%0.378SS*.  trans-120.2-6.7-174.963.6-6.9000114.7
55T93.6Very high93.4Very high65 Ų6571.8 Ų71.840%0.39939%0.392SS..SBendtrans-117.2142.4-179.454.40000111.1E57 H58 I59T55-E57 VanDerWaalsContact C-N 3.31Å; T55-E57 PolarHBondContact O-N 2.87Å; T55-H58 PolarHBondContact O-N 3.13Å; T55-H58 VanDerWaalsContact OG1-CB 3.27Å; T55-H58 WeakPolarHBondContact OG1-CB 3.47Å; T55-I59 WeakPolarHBondContact O-CG1 3.32Å; T55-I59 PolarHBondContact O-N 3.28Å
56L95.5Very high93.3Very high69 Ų6973.1 Ų73.136%0.36138%0.381SS..Hα-helixtrans-57.2-45.7177.5178.762.9000111.4I34 L37 H58 I59 V60I34-L56 HydrophobicContact CD1-CB 4.43Å; I34-L56 HydrophobicContact CG1-CB 4.23Å; I34-L56 HydrophobicContact CG1-CD1 4.01Å; L37-L56 HydrophobicContact CD1-CD1 3.52Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 2.96Å; L56-I59 PolarHBondContact O-N 3.35Å; L56-I59 VanDerWaalsContact O-N 3.15Å; L56-V60 HydrophobicContact CD1-CG2 4.08Å; L56-V60 HydrophobicContact CG-CG2 4.22Å; L56-V60 WeakPolarHBondContact O-CG2 3.22Å; L56-V60 PolarHBondContact O-N 3.08Å
57E95.6Very high93.2Very high146 Ų14670.1 Ų70.168%0.68237%0.369SS*.Hα-helixtrans-54.4-45.4179.7-176.1-178.7-17800112.3T55 V60 N61T55-E57 VanDerWaalsContact C-N 3.31Å; T55-E57 PolarHBondContact O-N 2.87Å; E57-V60 PolarHBondContact O-N 2.97Å; E57-N61 VanDerWaalsContact O-CG 3.24Å; E57-N61 PolarHBondContact O-N 2.84Å; E57-N61 PolarHBondContact O-ND2 3.09Å
58H95.4Very high92.9Very high94 Ų9466.3 Ų66.344%0.43535%0.354SS..Hα-helixtrans-67.3-40.7180-167.3136.5000111.5V53 T55 L56 V60 N61 L62V53-H58 HydrophobicContact CG1-CB 3.49Å; V53-H58 VanDerWaalsContact CG1-CB 3.49Å; T55-H58 PolarHBondContact O-N 3.13Å; T55-H58 VanDerWaalsContact OG1-CB 3.27Å; T55-H58 WeakPolarHBondContact OG1-CB 3.47Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 2.96Å; H58-V60 VanDerWaalsContact C-N 3.33Å; H58-V60 PolarHBondContact O-N 3.49Å; H58-N61 PolarHBondContact O-N 3.36Å; H58-L62 WeakPolarHBondContact O-CG 3.44Å; H58-L62 PolarHBondContact O-N 3.26Å; H58-L62 VanDerWaalsContact O-N 3.08Å
59I96.7Very high92.1Very high1 Ų163.5 Ų63.51%0.00533%0.333CS..Hα-helixtrans-65.3-39.7176.9-57.7173.4000110.8I34 L37 L38 F41 V50 V53 T55 L56 L62 Y63I34-I59 HydrophobicContact CG1-CD1 4.4Å; I34-I59 HydrophobicContact CG2-CD1 3.8Å; L37-I59 HydrophobicContact CB-CG2 3.59Å; L37-I59 HydrophobicContact CD1-CB 4.28Å; L37-I59 HydrophobicContact CD1-CG2 3.81Å; L37-I59 HydrophobicContact CG-CG2 4.24Å; L38-I59 HydrophobicContact CD2-CD1 4.32Å; F41-I59 HydrophobicContact CD2-CG2 4.15Å; F41-I59 HydrophobicContact CE2-CG2 3.65Å; V50-I59 HydrophobicContact CG1-CG2 4.37Å; V53-I59 HydrophobicContact CB-CG1 3.93Å; V53-I59 HydrophobicContact CG1-CB 4.48Å; V53-I59 HydrophobicContact CG1-CD1 4.28Å; V53-I59 HydrophobicContact CG1-CG1 3.37Å; T55-I59 WeakPolarHBondContact O-CG1 3.32Å; T55-I59 PolarHBondContact O-N 3.28Å; L56-I59 PolarHBondContact O-N 3.35Å; L56-I59 VanDerWaalsContact O-N 3.15Å; I59-L62 PolarHBondContact O-N 3.42Å; I59-Y63 PolarHBondContact O-N 2.91Å
60V96.4Very high91.2Very high10 Ų1070.7 Ų70.76%0.06136%0.356CS..Hα-helixtrans-63.4-42.8175.8169.30000111P29 E30 L37 L56 E57 H58 L62 Y63 Y64P29-V60 HydrophobicContact CB-CG1 4.41Å; P29-V60 HydrophobicContact CB-CG2 4.46Å; P29-V60 HydrophobicContact CG-CG1 4.16Å; E30-V60 HydrophobicContact CG-CG1 4.1Å; L37-V60 HydrophobicContact CD1-CG2 3.98Å; L56-V60 HydrophobicContact CD1-CG2 4.08Å; L56-V60 HydrophobicContact CG-CG2 4.22Å; L56-V60 WeakPolarHBondContact O-CG2 3.22Å; L56-V60 PolarHBondContact O-N 3.08Å; E57-V60 PolarHBondContact O-N 2.97Å; H58-V60 VanDerWaalsContact C-N 3.33Å; H58-V60 PolarHBondContact O-N 3.49Å; V60-L62 VanDerWaalsContact C-N 3.35Å; V60-L62 PolarHBondContact O-N 3.02Å; V60-Y63 WeakPolarHBondContact O-CA 3.44Å; V60-Y63 VanDerWaalsContact O-CB 3.24Å; V60-Y63 WeakPolarHBondContact O-CB 3.41Å; V60-Y63 PolarHBondContact O-N 3.03Å; V60-Y64 HydrophobicContact CG1-CD2 3.87Å; V60-Y64 HydrophobicContact CG1-CE2 3.6Å; V60-Y64 WeakPolarHBondContact O-CD2 3.37Å; V60-Y64 PolarHBondContact O-N 3.08Å
61N94.9Very high89.6Confident82 Ų8274.2 Ų74.244%0.43938%0.382SS..Hα-helixtrans-59.8-45.5175.4-69.9-20.8000111.5E57 H58 Y63 Y64 D65E57-N61 VanDerWaalsContact O-CG 3.24Å; E57-N61 PolarHBondContact O-N 2.84Å; E57-N61 PolarHBondContact O-ND2 3.09Å; H58-N61 PolarHBondContact O-N 3.36Å; N61-Y63 PolarHBondContact O-N 3.44Å; N61-Y64 PolarHBondContact O-N 3.17Å; N61-Y64 VanDerWaalsContact O-N 3.17Å; N61-D65 PolarHBondContact O-N 3.31Å; N61-D65 VanDerWaalsContact O-N 3.09Å
62L95.6Very high87.8Confident21 Ų2178.5 Ų78.511%0.1140%0.398CS..Hα-helixtrans-61.4-33.9173.7-67.3170.7000112.3F41 L49 V50 V53 H58 I59 V60 Y64 D65 H66F41-L62 HydrophobicContact CE1-CB 4.12Å; F41-L62 HydrophobicContact CZ-CB 3.67Å; L49-L62 HydrophobicContact CD1-CD2 4.09Å; L49-L62 HydrophobicContact CD2-CB 4.43Å; L49-L62 HydrophobicContact CD2-CD2 4.11Å; L49-L62 HydrophobicContact CG-CD1 4.18Å; L49-L62 HydrophobicContact CG-CD2 4.02Å; V50-L62 HydrophobicContact CG1-CD1 4.21Å; V53-L62 HydrophobicContact CG2-CD1 3.73Å; H58-L62 WeakPolarHBondContact O-CG 3.44Å; H58-L62 PolarHBondContact O-N 3.26Å; H58-L62 VanDerWaalsContact O-N 3.08Å; I59-L62 PolarHBondContact O-N 3.42Å; V60-L62 VanDerWaalsContact C-N 3.35Å; V60-L62 PolarHBondContact O-N 3.02Å; L62-Y64 VanDerWaalsContact C-N 3.34Å; L62-D65 PolarHBondContact O-N 2.73Å; L62-H66 WeakPolarHBondContact O-CB 3.29Å; L62-H66 PolarHBondContact O-CD2 2.96Å; L62-H66 VanDerWaalsContact O-CD2 3.26Å; L62-H66 PolarHBondContact O-N 2.98Å
63Y95.9Very high85.6Confident0 Ų080.8 Ų80.80%040%0.396CS..Hα-helixtrans-63.5-44.5177.3-173.2-78.2000110.1L26 P29 L37 I40 F41 I59 V60 N61 D65 L67 I68L26-Y63 WeakPolarHBondContact CA-OH 3.18Å; L26-Y63 WeakPolarHBondContact CB-OH 3.36Å; L26-Y63 WeakPolarHBondContact CD2-OH 3.48Å; L26-Y63 WeakPolarHBondContact O-CE1 3.48Å; L26-Y63 PolarHBondContact O-OH 2.81Å; P29-Y63 HydrophobicContact CB-CD1 3.64Å; P29-Y63 HydrophobicContact CB-CD2 4.24Å; P29-Y63 HydrophobicContact CB-CE1 4.02Å; P29-Y63 HydrophobicContact CB-CG 3.79Å; P29-Y63 HydrophobicContact CG-CD1 3.76Å; P29-Y63 HydrophobicContact CG-CE1 4.15Å; P29-Y63 HydrophobicContact CG-CG 4.33Å; L37-Y63 HydrophobicContact CD2-CD2 3.71Å; L37-Y63 HydrophobicContact CD2-CE2 4.21Å; L37-Y63 HydrophobicContact CD2-CG 4.37Å; I40-Y63 HydrophobicContact CD1-CE2 4.14Å; I40-Y63 HydrophobicContact CG2-CD2 4.2Å; I40-Y63 HydrophobicContact CG2-CE2 3.66Å; F41-Y63 HydrophobicContact CE2-CD2 4.44Å; I59-Y63 PolarHBondContact O-N 2.91Å; V60-Y63 WeakPolarHBondContact O-CA 3.44Å; V60-Y63 VanDerWaalsContact O-CB 3.24Å; V60-Y63 WeakPolarHBondContact O-CB 3.41Å; V60-Y63 PolarHBondContact O-N 3.03Å; N61-Y63 PolarHBondContact O-N 3.44Å; Y63-D65 PolarHBondContact O-N 3.32Å; Y63-L67 HydrophobicContact CD1-CB 4.4Å; Y63-L67 HydrophobicContact CD2-CB 4.05Å; Y63-L67 HydrophobicContact CD2-CD1 3.86Å; Y63-L67 HydrophobicContact CE1-CB 4.47Å; Y63-L67 HydrophobicContact CE2-CB 4.14Å; Y63-L67 HydrophobicContact CE2-CD1 4.21Å; Y63-L67 HydrophobicContact CG-CB 4.18Å; Y63-L67 CarbonylContact O-C 3.49Å; Y63-L67 WeakPolarHBondContact O-CA 3.32Å; Y63-L67 WeakPolarHBondContact O-CB 3.32Å; Y63-L67 PolarHBondContact O-N 3.01Å; Y63-I68 HydrophobicContact CE1-CD1 4.12Å; Y63-I68 PolarHBondContact O-N 2.91Å
64Y94.4Very high83.7Confident86 Ų8688 Ų8834%0.33743%0.427SS..Hα-helixtrans-62.3-40.5176.3-79.1-60.6000113.2P29 E30 V60 N61 L62 I68P29-Y64 HydrophobicContact CG-CD2 4.5Å; P29-Y64 HydrophobicContact CG-CE1 4.17Å; P29-Y64 HydrophobicContact CG-CE2 3.78Å; E30-Y64 WeakPolarHBondContact OE1-CE2 3.45Å; E30-Y64 PolarHBondContact OE1-OH 3.15Å; E30-Y64 PolarHBondContact OE2-OH 3.45Å; V60-Y64 HydrophobicContact CG1-CD2 3.87Å; V60-Y64 HydrophobicContact CG1-CE2 3.6Å; V60-Y64 WeakPolarHBondContact O-CD2 3.37Å; V60-Y64 PolarHBondContact O-N 3.08Å; N61-Y64 PolarHBondContact O-N 3.17Å; N61-Y64 VanDerWaalsContact O-N 3.17Å; L62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-I68 HydrophobicContact CD1-CB 4.24Å; Y64-I68 HydrophobicContact CD1-CD1 3.86Å; Y64-I68 HydrophobicContact CD1-CG1 4.08Å; Y64-I68 HydrophobicContact CE1-CD1 3.69Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 WeakPolarHBondContact O-CG2 2.9Å
65D92.6Very high81.5Confident110 Ų11090.1 Ų90.159%0.58843%0.433SS*.Hα-helixtrans-71.8-37.4-177.9-70.3-22.2000112.9N61 L62 Y63N61-D65 PolarHBondContact O-N 3.31Å; N61-D65 VanDerWaalsContact O-N 3.09Å; L62-D65 PolarHBondContact O-N 2.73Å; Y63-D65 PolarHBondContact O-N 3.32Å
66H93.2Very high78.8Confident89 Ų8990.2 Ų90.241%0.41244%0.436SS..Hα-helixtrans-115.7-25.6-165.6-62.1-71.4000115.1L49 L62L49-H66 HydrophobicContact CD2-CB 4.34Å; L49-H66 WeakPolarHBondContact CD2-CD2 3.45Å; L62-H66 WeakPolarHBondContact O-CB 3.29Å; L62-H66 PolarHBondContact O-CD2 2.96Å; L62-H66 VanDerWaalsContact O-CD2 3.26Å; L62-H66 PolarHBondContact O-N 2.98Å
67L92.9Very high76.3Confident14 Ų1493 Ų937%0.07346%0.456CS..THydrogen-bonded Turntrans-125.3-18-166-55.3-174.3000114.8I40 F41 R44 F46 Y63 P69I40-L67 HydrophobicContact CG2-CD1 3.6Å; F41-L67 HydrophobicContact CD1-CD1 3.73Å; F41-L67 HydrophobicContact CD1-CG 4.44Å; F41-L67 HydrophobicContact CD2-CD1 3.94Å; F41-L67 HydrophobicContact CE1-CD1 3.6Å; F41-L67 HydrophobicContact CE1-CG 4.03Å; F41-L67 HydrophobicContact CE2-CD1 3.83Å; F41-L67 HydrophobicContact CG-CD1 3.87Å; F41-L67 HydrophobicContact CZ-CD1 3.66Å; F41-L67 HydrophobicContact CZ-CG 4.26Å; R44-L67 HydrophobicContact CB-CD2 4.06Å; R44-L67 HydrophobicContact CG-CD2 4.36Å; F46-L67 HydrophobicContact CD2-CD2 3.43Å; F46-L67 VanDerWaalsContact CD2-CD2 3.43Å; F46-L67 HydrophobicContact CE2-CD2 3.57Å; F46-L67 HydrophobicContact CG-CD2 4.3Å; Y63-L67 HydrophobicContact CD1-CB 4.4Å; Y63-L67 HydrophobicContact CD2-CB 4.05Å; Y63-L67 HydrophobicContact CD2-CD1 3.86Å; Y63-L67 HydrophobicContact CE1-CB 4.47Å; Y63-L67 HydrophobicContact CE2-CB 4.14Å; Y63-L67 HydrophobicContact CE2-CD1 4.21Å; Y63-L67 HydrophobicContact CG-CB 4.18Å; Y63-L67 CarbonylContact O-C 3.49Å; Y63-L67 WeakPolarHBondContact O-CA 3.32Å; Y63-L67 WeakPolarHBondContact O-CB 3.32Å; Y63-L67 PolarHBondContact O-N 3.01Å; L67-P69 WeakPolarHBondContact O-CD 3.44Å; L67-P69 VanDerWaalsContact O-N 3.16Å
68I87.8Confident73.8Confident45 Ų4590.2 Ų90.223%0.23145%0.452CS..SBendtrans-51.7126.5-178.4-16667000108.8Y27 Y63 Y64 R70Y27-I68 HydrophobicContact CD1-CD1 4.29Å; Y63-I68 HydrophobicContact CE1-CD1 4.12Å; Y63-I68 PolarHBondContact O-N 2.91Å; Y64-I68 HydrophobicContact CD1-CB 4.24Å; Y64-I68 HydrophobicContact CD1-CD1 3.86Å; Y64-I68 HydrophobicContact CD1-CG1 4.08Å; Y64-I68 HydrophobicContact CE1-CD1 3.69Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 WeakPolarHBondContact O-CG2 2.9Å; I68-R70 PolarHBondContact O-N 3.08Å
69P77.4Confident71.1Confident35 Ų3593.6 Ų93.623%0.22747%0.469CS..  trans-57.4107.6173.4-23.734.3000107.5L26 Y27 L67 S71L26-P69 HydrophobicContact CB-CG 3.96Å; Y27-P69 HydrophobicContact CE1-CB 4Å; Y27-P69 HydrophobicContact CE1-CG 4.33Å; L67-P69 WeakPolarHBondContact O-CD 3.44Å; L67-P69 VanDerWaalsContact O-N 3.16Å; P69-S71 PolarHBondContact O-N 3.35Å; P69-S71 VanDerWaalsContact O-N 3.15Å
70R73.8Confident68.5Low210 Ų210102 Ų10279%0.79251%0.513SS*.  trans-65.5119.5169.7-65.6-175.6178.6-169.1-1.5104.5I68 N72I68-R70 PolarHBondContact O-N 3.08Å; R70-N72 PolarHBondContact O-N 3.16Å
71S61.3Low65.9Low84 Ų84107.9 Ų107.959%0.58755%0.548SS*.  trans-48136161.556.60000106.1P69 R73P69-S71 PolarHBondContact O-N 3.35Å; P69-S71 VanDerWaalsContact O-N 3.15Å; S71-R73 PolarHBondContact O-N 3.06Å
72N51.3Low63.2Low169 Ų169111.7 Ų111.790%0.90456%0.563SS**  trans-58.281.2172.9-57.7-8.8000107.5R70 E74R70-N72 PolarHBondContact O-N 3.16Å; N72-E74 PolarHBondContact O-N 2.84Å; N72-E74 VanDerWaalsContact O-N 3.17Å
73R42.4Very low60.3Low203 Ų203116.8 Ų116.877%0.76660%0.6SS**  trans-73.6110.4171.6-162.6179.5-176.5174.81.3100.9S71 E75S71-R73 PolarHBondContact O-N 3.06Å; R73-E75 PolarHBondContact O-N 2.82Å; R73-E75 VanDerWaalsContact O-N 3.15Å
74E46.4Very low57.4Low176 Ų176123.8 Ų123.882%0.82264%0.643SS**  trans-34.1126.5162.7-65.5-175.2153.800107.7N72 S76N72-E74 PolarHBondContact O-N 2.84Å; N72-E74 VanDerWaalsContact O-N 3.17Å; E74-S76 PolarHBondContact O-N 2.84Å; E74-S76 PolarHBondContact O-OG 2.96Å
75E39.5Very low54.6Low183 Ų183124.1 Ų124.186%0.85566%0.658SS**  trans-45.583.5-179.3-72.7176.1153.400110.8R73 V77R73-E75 PolarHBondContact O-N 2.82Å; R73-E75 VanDerWaalsContact O-N 3.15Å; E75-V77 HydrophobicContact CB-CG2 4.2Å; E75-V77 PolarHBondContact O-N 2.98Å
76S37Very low51.9Low68 Ų68124.3 Ų124.348%0.47666%0.662SS.*  trans-82.369.5153.65.40000104E74 S78E74-S76 PolarHBondContact O-N 2.84Å; E74-S76 PolarHBondContact O-OG 2.96Å; S76-S78 WeakPolarHBondContact CB-OG 3.43Å; S76-S78 PolarHBondContact O-N 3.38Å
77V42.6Very low49.2Very low128 Ų128127.6 Ų127.678%0.77668%0.683SS**  trans-65.771148.6-176.80000104.8E75E75-V77 HydrophobicContact CB-CG2 4.2Å; E75-V77 PolarHBondContact O-N 2.98Å
78S41.9Very low46.4Very low86 Ų86131.9 Ų131.960%0.60172%0.721SS**  trans-119.2105.7175.4-47.50000103.3S76S76-S78 WeakPolarHBondContact CB-OG 3.43Å; S76-S78 PolarHBondContact O-N 3.38Å
79E39.9Very low44.2Very low166 Ų166135 Ų13578%0.77675%0.746SS**SBendtrans74.857157.8-130.4166.9-166.100116.4
80L42.4Very low42.5Very low178 Ų178139.7 Ų139.793%0.93277%0.769SS**  trans-128.147.6145.4-140.192.7000110.6
81T40.9Very low41.1Very low132 Ų132135.8 Ų135.881%0.8176%0.764SS**SBendtrans-131.144172.2460000110.5
82E38.5Very low40.2Very low162 Ų162137 Ų13776%0.75777%0.773SS**  trans-159.167.8167.9-152.3165.2-172.700112.8
83C34.3Very low39.6Very low129 Ų129136.5 Ų136.587%0.87277%0.77SS**SBendtrans-148.542.5161.1-89.50000110.1
84T35Very low39.9Very low147 Ų147132.3 Ų132.390%0.90277%0.772SS**  trans-154.670.6163.4-350000109.1
85S36.3Very low39.7Very low93 Ų93131.3 Ų131.365%0.6577%0.772SS**  trans-131.2105168.2-172.80000108.6
86V36.2Very low40.4Very low114 Ų114130 Ų13069%0.69177%0.771SS**  trans53.5109.1144.5-49.30000117.8
87N35.3Very low41.1Very low157 Ų157132.8 Ų132.884%0.8479%0.787SS**  177.490.2123.5-86.1-15.3000109.7
88A35.1Very low41.1Very low105 Ų105136.3 Ų136.387%0.86879%0.792SS**  trans-154.671.4154.200000107.4
89S41.4Very low41.2Very low109 Ų109140.6 Ų140.676%0.76280%0.802SS**  trans-67.9139.3163.9-55.50000109
90N41.3Very low41.6Very low134 Ų134141.3 Ų141.372%0.71780%0.803SS**  trans89.3115.7157.9-84.333.1000120.6
91D43.6Very low42Very low129 Ų129138.1 Ų138.169%0.6979%0.791SS**  trans81.595.2133-58.8-27.8000117.9
92S42.4Very low42.3Very low110 Ų110138.3 Ų138.377%0.76979%0.786SS**  151.5118.2104.1-64.90000112.5
93N40Very low42.7Very low157 Ų157135.1 Ų135.184%0.8478%0.782SS**  trans34.199.9149.1-76.1-22000119.4
94S46.9Very low43.4Very low116 Ų116133.9 Ų133.981%0.81178%0.775SS**  trans-144124.9137.158.20000110.3L96S94-L96 PolarHBondContact O-N 3.1Å
95N43.2Very low44.2Very low154 Ų154137.5 Ų137.582%0.82477%0.772SS**  trans-79.3109.6-179.9-72.4-60.5000109.6
96L53.4Low44.9Very low157 Ų157142.3 Ų142.382%0.82278%0.781SS**  trans-131.7134.3155.1-74175.3000109.4S94 K98S94-L96 PolarHBondContact O-N 3.1Å; L96-K98 PolarHBondContact O-N 3.32Å
97P51.4Low45.9Very low126 Ų126147.1 Ų147.182%0.81879%0.787SS**  trans-67.4134.1-175.25.23.2000111.2E99P97-E99 PolarHBondContact O-N 3.44Å
98K43.1Very low47.2Very low202 Ų202147.3 Ų147.388%0.87879%0.785SS**  trans-59.2110.4177.5-63.8173.1178.3177.80111.1L96 K100L96-K98 PolarHBondContact O-N 3.32Å; K98-K100 PolarHBondContact O-N 3.02Å
99E45Very low48.2Very low175 Ų175148.2 Ų148.282%0.81878%0.775SS**  trans-77.9110.7161.6-162.2175.3165.600108.5P97 V101P97-E99 PolarHBondContact O-N 3.44Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.71Å
100K47.5Very low49.2Very low182 Ų182147.4 Ų147.479%0.79176%0.762SS**  trans-70.188.1172.5-78.6-179.4175.1-178.50108.8K98 N102K98-K100 PolarHBondContact O-N 3.02Å; K100-N102 PolarHBondContact O-N 3.49Å
101V51.3Low50.7Low111 Ų111146.8 Ų146.867%0.67376%0.758SS**  trans-72.4100163.9-175.40000106.9E99 S103E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.71Å; V101-S103 PolarHBondContact O-N 3.4Å
102N47.1Very low52.1Low135 Ų135148.4 Ų148.472%0.72277%0.767SS**  trans-67.183169-64.6-25.7000108K100 S104K100-N102 PolarHBondContact O-N 3.49Å; N102-S104 PolarHBondContact O-N 3.13Å
103S47.7Very low53.3Low95 Ų95148.8 Ų148.866%0.66476%0.76SS**  trans-6583.9164.4-73.90000108.4V101 R105V101-S103 PolarHBondContact O-N 3.4Å; S103-R105 PolarHBondContact O-N 3.21Å
104S47.4Very low54.9Low104 Ų104146.6 Ų146.673%0.72775%0.748SS**  trans-72.971.9165.1-49.20000107N102 K106N102-S104 PolarHBondContact O-N 3.13Å; S104-K106 PolarHBondContact O-N 3.01Å
105R52.4Low56.2Low223 Ų223146.7 Ų146.784%0.84274%0.743SS**  trans-64.994.7167.4-138.6-177.7-73.8-177-3104.4S103 R107S103-R105 PolarHBondContact O-N 3.21Å; R105-R107 PolarHBondContact O-N 3.38Å
106K52Low57.6Low193 Ų193146.5 Ų146.584%0.83974%0.741SS**  trans-52.5112.3174.8-85.7-179.5173.9177.10106.3S104 M108S104-K106 PolarHBondContact O-N 3.01Å; K106-M108 PolarHBondContact O-N 2.94Å; K106-M108 VanDerWaalsContact O-N 3.1Å
107R56.9Low58.7Low215 Ų215144.5 Ų144.581%0.81174%0.735SS**  trans-57.6114.2172-68.2-148.1-68.4-163.6-0.1107.1R105 D109R105-R107 PolarHBondContact O-N 3.38Å; R107-D109 HydrophobicContact CB-CB 4.29Å; R107-D109 WeakPolarHBondContact CB-OD2 3.24Å; R107-D109 WeakPolarHBondContact CD-OD2 3.02Å; R107-D109 PolarHBondContact O-N 3.35Å
108M61.5Low59.2Low162 Ų162147.1 Ų147.180%0.79873%0.73SS**  trans-90.439.5-178.8-157.9120.88200108.7K106K106-M108 PolarHBondContact O-N 2.94Å; K106-M108 VanDerWaalsContact O-N 3.1Å
109D57.4Low60.5Low124 Ų124140.1 Ų140.166%0.66370%0.702SS**  trans-105.917.2-152.8-62.9-8.6000113.5R107R107-D109 HydrophobicContact CB-CB 4.29Å; R107-D109 WeakPolarHBondContact CB-OD2 3.24Å; R107-D109 WeakPolarHBondContact CD-OD2 3.02Å; R107-D109 PolarHBondContact O-N 3.35Å
110D61.1Low61.7Low91 Ų91136.6 Ų136.649%0.48769%0.693SS.*  trans-155.370.7175.2-159.7-2.8000112.6D112 N113D110-D112 VanDerWaalsContact C-N 3.34Å; D110-N113 VanDerWaalsContact CG-ND2 3.28Å; D110-N113 WeakPolarHBondContact OD1-CB 3.46Å; D110-N113 PolarHBondContact OD1-N 3.33Å; D110-N113 PolarHBondContact OD1-ND2 3.49Å; D110-N113 PolarHBondContact OD2-ND2 3.31Å
111L74.1Confident63Low122 Ų122137.4 Ų137.464%0.63970%0.696SS**  trans-83.4-16.2165.6-68.8176.8000112N113 L114L111-N113 PolarHBondContact O-N 3.26Å; L111-L114 HydrophobicContact CD2-CD2 4.19Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.35Å; L111-L114 PolarHBondContact O-N 3.15Å
112D72Confident63.4Low162 Ų162141.6 Ų141.687%0.86670%0.7SS**THydrogen-bonded Turntrans-65.7-26-179.4-68.1-24000111.9D110D110-D112 VanDerWaalsContact C-N 3.34Å
113N68.4Low64Low118 Ų118141.6 Ų141.663%0.63169%0.694SS**THydrogen-bonded Turntrans-96.711.8173.3-66.8-45.3000114.4D110 L111 V115D110-N113 VanDerWaalsContact CG-ND2 3.28Å; D110-N113 WeakPolarHBondContact OD1-CB 3.46Å; D110-N113 PolarHBondContact OD1-N 3.33Å; D110-N113 PolarHBondContact OD1-ND2 3.49Å; D110-N113 PolarHBondContact OD2-ND2 3.31Å; L111-N113 PolarHBondContact O-N 3.26Å; N113-V115 PolarHBondContact O-N 3.48Å
114L73.5Confident64.2Low112 Ų112142.7 Ų142.759%0.58670%0.696SS**  trans-72.697.6-179.7-174.865.5000111.4L111 I116L111-L114 HydrophobicContact CD2-CD2 4.19Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.35Å; L111-L114 PolarHBondContact O-N 3.15Å; L114-I116 HydrophobicContact CG-CG1 4.4Å; L114-I116 PolarHBondContact O-N 3.32Å
115V73.5Confident64.7Low117 Ų117143.4 Ų143.471%0.70970%0.698SS**  trans-86.3109.3170.5-1780000109.6N113 T117N113-V115 PolarHBondContact O-N 3.48Å; V115-T117 HydrophobicContact CG1-CG2 4.08Å; V115-T117 PolarHBondContact O-N 3.41Å
116I73.9Confident64.3Low151 Ų151137.2 Ų137.277%0.77469%0.688SS**  trans-80.9104.9169.5-56.2176.2000108L114L114-I116 HydrophobicContact CG-CG1 4.4Å; L114-I116 PolarHBondContact O-N 3.32Å
117T74.9Confident63.8Low114 Ų114132.9 Ų132.970%0.69968%0.682SS**  trans-84.9128.4172.657.70000110.6V115 D119V115-T117 HydrophobicContact CG1-CG2 4.08Å; V115-T117 PolarHBondContact O-N 3.41Å; T117-D119 PolarHBondContact O-N 3.01Å
118Y63.4Low63.1Low182 Ų182128 Ų12871%0.71468%0.676SS**  trans-74109.6172.2179.7-107.8000110.4V120Y118-V120 HydrophobicContact CD1-CG2 3.97Å; Y118-V120 HydrophobicContact CE1-CB 4.49Å; Y118-V120 HydrophobicContact CE1-CG2 3.31Å
119D70.7Confident62Low55 Ų55129.4 Ų129.429%0.29468%0.678SS.*  trans-109.6104.6171.4-172.1-13.2000109.8T117 K121 R122T117-D119 PolarHBondContact O-N 3.01Å; D119-K121 PolarHBondContact O-N 2.94Å; D119-K121 VanDerWaalsContact O-N 3.08Å; D119-K121 WeakPolarHBondContact OD1-CB 3.33Å; D119-K121 PolarHBondContact OD1-N 3.17Å; D119-R122 HydrophobicContact CB-CB 4.38Å; D119-R122 HydrophobicContact CB-CG 4.18Å; D119-R122 PolarHBondContact O-N 3.47Å; D119-R122 IonicContact OD2-CZ 3.46Å; D119-R122 IonicContact OD2-NE 3.34Å; D119-R122 PolarHBondContact OD2-NE 2.9Å; D119-R122 IonicContact OD2-NH2 3.3Å; D119-R122 PolarHBondContact OD2-NH2 3.41Å
120V70Confident61.3Low101 Ų101129.6 Ų129.661%0.61268%0.684SS**G310 helixtrans-53.5-30178.9-176.50000111.8Y118 R122Y118-V120 HydrophobicContact CD1-CG2 3.97Å; Y118-V120 HydrophobicContact CE1-CB 4.49Å; Y118-V120 HydrophobicContact CE1-CG2 3.31Å; V120-R122 VanDerWaalsContact C-N 3.35Å; V120-R122 PolarHBondContact O-N 3.37Å
121K74.1Confident60.4Low198 Ų198130.6 Ų130.686%0.86170%0.698SS**G310 helixtrans-80-14.2-176.4-60.5-177179.6-178.20113.7D119D119-K121 PolarHBondContact O-N 2.94Å; D119-K121 VanDerWaalsContact O-N 3.08Å; D119-K121 WeakPolarHBondContact OD1-CB 3.33Å; D119-K121 PolarHBondContact OD1-N 3.17Å
122R59.3Low58.6Low200 Ų200133.2 Ų133.276%0.75571%0.707SS**G310 helixtrans-103.8-0.8-178.3-61.5-173.3-146.8-155.36.7113.5D119 V120 T124D119-R122 HydrophobicContact CB-CB 4.38Å; D119-R122 HydrophobicContact CB-CG 4.18Å; D119-R122 PolarHBondContact O-N 3.47Å; D119-R122 IonicContact OD2-CZ 3.46Å; D119-R122 IonicContact OD2-NE 3.34Å; D119-R122 PolarHBondContact OD2-NE 2.9Å; D119-R122 IonicContact OD2-NH2 3.3Å; D119-R122 PolarHBondContact OD2-NH2 3.41Å; V120-R122 VanDerWaalsContact C-N 3.35Å; V120-R122 PolarHBondContact O-N 3.37Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.13Å
123F60.4Low57.1Low135 Ų135132.2 Ų132.259%0.59271%0.706SS**  trans-69.3114.7-178.4-153.5-97.1000110
124T51.9Low55.4Low118 Ų118131.4 Ų131.472%0.72471%0.71SS**  trans-76.9123164.6-49.70000106.2R122 C126R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.13Å; T124-C126 PolarHBondContact O-N 3.5Å
125P56.4Low53.6Low118 Ų118131 Ų13177%0.76672%0.717SS**  trans-60.6101.8-177.1-18.629000110.5S127P125-S127 PolarHBondContact O-N 3.11Å
126C44.1Very low52.1Low93 Ų93133.3 Ų133.363%0.62872%0.72SS**  trans-83.1106.5167.9-159.70000107.3T124 T128T124-C126 PolarHBondContact O-N 3.5Å; C126-T128 VanDerWaalsContact C-N 3.27Å; C126-T128 PolarHBondContact O-N 3.29Å
127S42Very low50.1Low103 Ų103134 Ų13472%0.7272%0.719SS**  trans-73.480.1174.3170.40000109.7P125 K129P125-S127 PolarHBondContact O-N 3.11Å; S127-K129 VanDerWaalsContact C-N 3.33Å; S127-K129 PolarHBondContact O-N 3.21Å; S127-K129 VanDerWaalsContact O-N 3.1Å
128T42.9Very low48.4Very low111 Ų111137.3 Ų137.368%0.68173%0.727SS**  trans-80.982.4168.751.50000109.5C126 T130C126-T128 VanDerWaalsContact C-N 3.27Å; C126-T128 PolarHBondContact O-N 3.29Å; T128-T130 VanDerWaalsContact C-N 3.28Å; T128-T130 PolarHBondContact O-N 3.13Å
129K38.2Very low47.2Very low193 Ų193135.1 Ų135.184%0.83973%0.727SS**  trans-84.278.5156.6-72.5-170.3178.1-177.80107.8S127S127-K129 VanDerWaalsContact C-N 3.33Å; S127-K129 PolarHBondContact O-N 3.21Å; S127-K129 VanDerWaalsContact O-N 3.1Å
130T41.8Very low45.8Very low127 Ų127140.3 Ų140.378%0.77975%0.754SS**  trans-104.1103.4162.6460000107.5T128 H132T128-T130 VanDerWaalsContact C-N 3.28Å; T128-T130 PolarHBondContact O-N 3.13Å; T130-H132 PolarHBondContact O-N 3.35Å
131S42.9Very low44.4Very low113 Ų113141.6 Ų141.679%0.7976%0.762SS**  trans-67.5113.2171.155.20000109.5V133S131-V133 PolarHBondContact O-N 2.91Å
132H36.7Very low43.2Very low176 Ų176137.2 Ų137.282%0.81575%0.752SS**  trans38.785.1132.5-161.1-76.1000117.1T130T130-H132 PolarHBondContact O-N 3.35Å
133V40.7Very low42.6Very low141 Ų141135 Ų13586%0.85575%0.753SS**  trans-140.8121.4144.2-173.30000107.8S131S131-V133 PolarHBondContact O-N 2.91Å
134S31.7Very low42.2Very low102 Ų102135.8 Ų135.871%0.71376%0.759SS**  trans-80.7139.2-179.364.60000111.5
135S36.4Very low42.3Very low104 Ų104135.5 Ų135.573%0.72776%0.759SS**  171.3138.9129.559.60000110.3
136E41.7Very low41.6Very low165 Ų165139.8 Ų139.877%0.77177%0.765SS**  trans76.785.7159.5-66.8175.416000118.3H138E136-H138 PolarHBondContact O-N 3.06Å
137E32.6Very low41.6Very low165 Ų165143.6 Ų143.677%0.77177%0.774SS**  36.979.1125-58.8-172.2146.900118.6
138H38.9Very low41.2Very low184 Ų184145.5 Ų145.585%0.85278%0.781SS**  trans-116.381.4146.3-69-51.5000109.3E136 L140E136-H138 PolarHBondContact O-N 3.06Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 2.91Å
139N38.6Very low41.4Very low136 Ų136145.7 Ų145.773%0.72778%0.782SS**  trans-6491.8168.2-73-45.8000109.2T141N139-T141 VanDerWaalsContact C-N 3.33Å; N139-T141 PolarHBondContact O-N 3.39Å
140L39.9Very low41.2Very low164 Ų164145.6 Ų145.686%0.85979%0.785SS**  trans-67.198.3160.2-78168.3000107.4H138 V142H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 2.91Å; L140-V142 PolarHBondContact O-N 2.91Å
141T40.5Very low41.4Very low128 Ų128147.8 Ų147.879%0.78579%0.788SS**  trans-69.8100.5176-2.80000107.9N139 I143N139-T141 VanDerWaalsContact C-N 3.33Å; N139-T141 PolarHBondContact O-N 3.39Å; T141-I143 PolarHBondContact O-N 3.05Å; T141-I143 VanDerWaalsContact O-N 3.08Å
142V49.5Very low41.5Very low106 Ų106152.1 Ų152.164%0.64279%0.793SS**  trans-69.8102.7169.2178.40000107.5L140 H144L140-V142 PolarHBondContact O-N 2.91Å; V142-H144 PolarHBondContact O-N 2.83Å; V142-H144 VanDerWaalsContact O-N 3.12Å
143I46.5Very low41.6Very low152 Ų152152 Ų15278%0.77979%0.793SS**  trans-71.6102.8171.9-59.1175.6000107.3T141T141-I143 PolarHBondContact O-N 3.05Å; T141-I143 VanDerWaalsContact O-N 3.08Å
144H52Low41.7Very low152 Ų152153.3 Ų153.370%0.70479%0.792SS**  trans-72.1126.3170.9-73.4-80.9000110V142 K146V142-H144 PolarHBondContact O-N 2.83Å; V142-H144 VanDerWaalsContact O-N 3.12Å; H144-K146 PolarHBondContact O-N 3.39Å
145P53.6Low41.9Very low112 Ų112153.1 Ų153.173%0.72779%0.786SS**  trans-64.3127.7169.524.7-30.3000109.5Q147P145-Q147 PolarHBondContact O-N 2.8Å
146K42.9Very low42.4Very low208 Ų208155 Ų15590%0.90479%0.788SS**  trans-62.9100.3174.6-66.6176.8179.6176.40109.1H144H144-K146 PolarHBondContact O-N 3.39Å
147Q44.1Very low42.3Very low173 Ų173155.4 Ų155.481%0.80879%0.79SS**  trans-120.5107.1164.6-79.4-171.5-2100110.2P145 V149P145-Q147 PolarHBondContact O-N 2.8Å; Q147-V149 PolarHBondContact O-N 3.41Å
148T33.2Very low42.7Very low143 Ų143152.6 Ų152.688%0.87779%0.788SS**  trans-6699.3169.6-50.70000109.3
149V47.4Very low42.6Very low116 Ų116150.6 Ų150.670%0.70378%0.782SS**  trans-142.7117160.5-1710000108.5Q147 M151Q147-V149 PolarHBondContact O-N 3.41Å; V149-M151 HydrophobicContact CG1-CG 4.42Å; V149-M151 PolarHBondContact O-N 3.28Å; V149-M151 VanDerWaalsContact O-N 3.15Å
150Q34.5Very low42.6Very low190 Ų190149.7 Ų149.789%0.88879%0.786SS**  trans-58.9110.4171-65.4178.745.900109.1
151M46.2Very low42.7Very low174 Ų174150.7 Ų150.786%0.85778%0.783SS**  trans-140.3127.9164.8-78.7-64.7-105.800110.6V149V149-M151 HydrophobicContact CG1-CG 4.42Å; V149-M151 PolarHBondContact O-N 3.28Å; V149-M151 VanDerWaalsContact O-N 3.15Å
152K43.8Very low42.8Very low204 Ų204150.3 Ų150.389%0.88778%0.783SS**  trans-44.9128.2-175.9-159.2169-1791780113.9
153E38.5Very low42.6Very low174 Ų174150.1 Ų150.181%0.81379%0.786SS**  trans-50.9123.7172.7-170.7175.2-170.500112.5
154M42.5Very low42.2Very low168 Ų168150.5 Ų150.583%0.82879%0.79SS**  trans-148.288.1162.8-148.2165.5170.300109.2N156M154-N156 PolarHBondContact O-N 3.4Å
155T37.4Very low42Very low97 Ų97149.6 Ų149.660%0.59579%0.789SS**  trans-70.6109178.3-48.10000109.9Q157T155-Q157 HydrophobicContact CG2-CG 4.4Å
156N45.2Very low41.3Very low143 Ų143149.6 Ų149.677%0.76579%0.789SS**  trans-120.288.8168.2-81.5-39.6000109.3M154 S158M154-N156 PolarHBondContact O-N 3.4Å; N156-S158 PolarHBondContact O-N 2.88Å
157Q39.9Very low41.3Very low174 Ų174147.6 Ų147.681%0.81379%0.787SS**  trans-79.1110.5165.2-65.9-171.146.500108.3T155T155-Q157 HydrophobicContact CG2-CG 4.4Å
158S41Very low40.8Very low106 Ų106146.6 Ų146.674%0.74179%0.787SS**  trans-90.9112.5173.3-175.50000109.6N156N156-S158 PolarHBondContact O-N 2.88Å
159I38.4Very low41.2Very low142 Ų142144.9 Ų144.973%0.72878%0.781SS**  trans-84.8105.1175.1-62.2164.6000107.7K161I159-K161 PolarHBondContact O-N 3.43Å
160C38.6Very low41Very low118 Ų118148 Ų14880%0.79779%0.793SS**  trans-80.2107.2169.5-67.50000109.7
161K41.9Very low41.5Very low185 Ų185147.4 Ų147.480%0.80479%0.79SS**  trans-72.4135.3171.4-64.7177178.8177.60109.9I159 S163I159-K161 PolarHBondContact O-N 3.43Å; K161-S163 PolarHBondContact O-N 3.24Å
162P42.6Very low41.1Very low120 Ų120143.7 Ų143.778%0.77978%0.781SS**  trans-77.2118.217029.8-29.9000109.9
163S44.6Very low41Very low101 Ų101140.9 Ų140.971%0.70678%0.775SS**  trans-81112.9166.657.70000109.6K161 I165K161-S163 PolarHBondContact O-N 3.24Å; S163-I165 PolarHBondContact O-N 3.37Å
164N38.7Very low41Very low160 Ų160139.5 Ų139.586%0.85677%0.774SS**  trans-68.4117.2165.8-76.5-51000109.2
165I47.5Very low41.1Very low133 Ų133140.6 Ų140.668%0.68278%0.779SS**  trans-123.4113.9164.5-55.2174.8000106.4S163 L167S163-I165 PolarHBondContact O-N 3.37Å; I165-L167 PolarHBondContact O-N 2.79Å
166P38.4Very low41.6Very low113 Ų113145.4 Ų145.473%0.73479%0.792SS**  trans-73.8121173.4-7.423.7000109.1D168P166-D168 VanDerWaalsContact C-N 3.28Å; P166-D168 PolarHBondContact O-N 3.07Å
167L42.8Very low41.5Very low165 Ų165144.5 Ų144.586%0.86479%0.794SS**  trans-92.755.5176.4-135.292.9000110.4I165I165-L167 PolarHBondContact O-N 2.79Å
168D34.1Very low42.1Very low152 Ų152142.8 Ų142.881%0.81380%0.795SS**  trans-95.689.3164.2-92.1-24.1000107.8P166P166-D168 VanDerWaalsContact C-N 3.28Å; P166-D168 PolarHBondContact O-N 3.07Å
169S41Very low42.4Very low107 Ų107143 Ų14375%0.74879%0.794SS**  trans156.4105.8156.4-79.80000109
170L44.7Very low42.5Very low182 Ų182142.4 Ų142.495%0.95380%0.799SS**  trans-177.377.8139.8-94.6158.8000107.7
171H43Very low42.8Very low178 Ų178145.7 Ų145.782%0.82480%0.803SS**  trans-75.2158.4159.6-87.7117.2000110.1
172S38.8Very low42.8Very low96 Ų96144 Ų14467%0.67180%0.802SS**  trans66.2109.3158.159.30000117.4
173D41.4Very low42.5Very low144 Ų144147 Ų14777%0.7781%0.807SS**  -179.6141100.2-88.5-30.4000114.7
174N38.8Very low42.2Very low145 Ų145149.8 Ų149.878%0.77581%0.814SS**  trans77.785.2152.7-72.5-33.2000121.1
175M43.9Very low42.1Very low192 Ų192150 Ų15095%0.94681%0.81SS**  trans-104.7115.3147.4-71-71.4-11900109.5
176K49Very low41.8Very low197 Ų197152.5 Ų152.586%0.85782%0.816SS**  trans-90.4133165.5-90.7-176.8175.7179.60109.5
177P43Very low41.7Very low125 Ų125152.3 Ų152.381%0.81282%0.817SS**  trans-88.7142.8179.433-29.7000112
178V53.2Low41.7Very low138 Ų138150.3 Ų150.384%0.83682%0.817SS**  trans-107.6134.9170.4176.90000108.3
179P46.2Very low41.8Very low109 Ų109150.7 Ų150.771%0.70882%0.819SS**PPolyproline II helixtrans-84.1159.6-168.533.9-34.9000113.5
180P41.3Very low42Very low130 Ų130150.7 Ų150.784%0.84482%0.819SS**PPolyproline II helixtrans-86.1131.6-175.933.9-30.2000111.4
181H44.2Very low42Very low188 Ų188150.5 Ų150.587%0.8781%0.813SS**PPolyproline II helixtrans-98.2133169.6-165.2-77.6000110.9
182L41.3Very low41.8Very low150 Ų150150 Ų15079%0.78582%0.815SS**PPolyproline II helixtrans-62.7157.4-178.4-75151.6000113.9
183M36Very low42.2Very low182 Ų182152.5 Ų152.590%0.89782%0.821SS**PPolyproline II helixtrans-73.2141.9-179.7-23.9-158.380.100110.8
184N39.5Very low42.5Very low159 Ų159151.3 Ų151.385%0.8581%0.814SS**  trans-158.2127.8140.5-144.11.7000111.6
185E36.9Very low42.9Very low165 Ų165151.9 Ų151.977%0.77181%0.812SS**  trans-72.5149.9173.3-59179.912000111.1
186K39.9Very low43.1Very low186 Ų186147.7 Ų147.781%0.80980%0.802SS**  168.5112123.7-88.7161.3-172.9-175.50111.5
187S38.1Very low43.6Very low109 Ų109146.9 Ų146.976%0.76281%0.806SS**  40.7123.3126.5-39.80000119.3
188S42.4Very low44.4Very low123 Ų123151.5 Ų151.586%0.8681%0.807SS**  -173134.2121.7-77.90000112.1
189N35.8Very low44.7Very low159 Ų159150.8 Ų150.885%0.8581%0.808SS**  trans-75.9161.7179.3-61.5-38.8000112.3
190S44.1Very low45.6Very low107 Ų107153.8 Ų153.875%0.74882%0.815SS**  trans131.1146.6132.1730000115.6
191E45.3Very low47.3Very low178 Ų178157.1 Ų157.183%0.83282%0.816SS**  trans85.187.8158.3-68.8176.7169.400119N193E191-N193 PolarHBondContact O-N 3.13Å
192I39.5Very low49Very low168 Ų168157.8 Ų157.886%0.86282%0.817SS**  trans-20.5118.3135.2-56.7150.4000111.5
193N47.2Very low50.8Low148 Ų148161.8 Ų161.879%0.79182%0.821SS**  trans-133.2116.2148.9-152.62.7000109.7E191E191-N193 PolarHBondContact O-N 3.13Å
194D46.6Very low52.9Low119 Ų119158.9 Ų158.964%0.63682%0.816SS**  trans-65.8170.5171-154.5-19.4000109.1
195H47.3Very low54.9Low157 Ų157161.3 Ų161.373%0.72782%0.819SS**  trans99.6130.5169-41.4-46000118.6
196S49.1Very low56.9Low104 Ų104160.8 Ų160.873%0.72782%0.82SS**  trans91.765.9167.4-145.90000116R198S196-R198 PolarHBondContact O-N 3.3Å
197L58.6Low58.8Low180 Ų180157.5 Ų157.594%0.94281%0.811SS**  trans-59.684.7146.4-68.4176.5000108.3S199L197-S199 PolarHBondContact O-N 3.42Å
198R60Low60.8Low222 Ų222161.9 Ų161.984%0.83881%0.811SS**  trans-50.6113.7165.1-89.3-179.8164-172.9-2.4107.4S196 M200S196-R198 PolarHBondContact O-N 3.3Å; R198-M200 PolarHBondContact O-N 3.36Å
199S60.1Low62.4Low123 Ų123160.8 Ų160.886%0.8680%0.795SS**  trans-45.9115.5172.6-106.20000109.6L197 K201L197-S199 PolarHBondContact O-N 3.42Å; S199-K201 PolarHBondContact O-N 2.57Å
200M65Low64.1Low173 Ų173160 Ų16085%0.85279%0.785SS**PPolyproline II helixtrans-61.8120.9177.4-76.7-168.450.300109.4R198 K202R198-M200 PolarHBondContact O-N 3.36Å; M200-K202 PolarHBondContact O-N 2.93Å; M200-K202 VanDerWaalsContact O-N 3.13Å
201K75.9Confident65.3Low199 Ų199162.5 Ų162.587%0.86579%0.785SS**PPolyproline II helixtrans-58.4117.8170.4-74.1179.1177.31770108.5S199 R203S199-K201 PolarHBondContact O-N 2.57Å; K201-R203 PolarHBondContact O-N 3.46Å
202K79.7Confident66.1Low203 Ų203159.8 Ų159.888%0.88378%0.78SS**PPolyproline II helixtrans-58.7132.3173.1-69.7-175.9178.7177.50109.1M200M200-K202 PolarHBondContact O-N 2.93Å; M200-K202 VanDerWaalsContact O-N 3.13Å
203R79.4Confident67.3Low233 Ų233158 Ų15888%0.87977%0.772SS**PPolyproline II helixtrans-66144.1172.2-80.2-178.4174.2165.6-1.9110.2K201K201-R203 PolarHBondContact O-N 3.46Å
204P80.1Confident68Low122 Ų122156 Ų15679%0.79277%0.765SS**PPolyproline II helixtrans-58.9145.2169.9-19.330.7000111.4I206P204-I206 PolarHBondContact O-N 3.24Å
205K82.7Confident68.6Low210 Ų210156.9 Ų156.991%0.91377%0.77SS**PPolyproline II helixtrans-68.1127.9174-72.1-178.4178.1178.80109.3N207K205-N207 PolarHBondContact O-N 2.87Å
206I79.1Confident68.9Low153 Ų153157.2 Ų157.279%0.78578%0.777SS**PPolyproline II helixtrans-70.8124.2170.3-59.7170000107.5P204 R208P204-I206 PolarHBondContact O-N 3.24Å; I206-R208 PolarHBondContact O-N 3.1Å
207N79.3Confident68.8Low117 Ų117163.7 Ų163.763%0.62680%0.801SS**PPolyproline II helixtrans-73.2123.6170.7-170.8-9.3000108.9K205 N209K205-N207 PolarHBondContact O-N 2.87Å; N207-N209 VanDerWaalsContact OD1-CB 3.23Å; N207-N209 WeakPolarHBondContact OD1-CB 3.47Å; N207-N209 PolarHBondContact OD1-N 2.78Å; N207-N209 PolarHBondContact OD1-ND2 3.39Å; N207-N209 PolarHBondContact OD1-OD1 3.45Å; N207-N209 VanDerWaalsContact OD1-OD1 3.07Å
208R78.9Confident69.3Low201 Ų201162.9 Ų162.976%0.75879%0.794SS**  trans-99.214.2177.8-67.1-173.3178.9129.8-3112.8I206 F210I206-R208 PolarHBondContact O-N 3.1Å; R208-F210 VanDerWaalsContact C-N 3.33Å; R208-F210 WeakPolarHBondContact O-CD2 3.46Å; R208-F210 WeakPolarHBondContact O-CE2 3.28Å; R208-F210 PolarHBondContact O-N 3.42Å
209N76.7Confident69.7Low100 Ų100159.7 Ų159.754%0.53579%0.791SS.*  trans-71.996.7172.8-58.6-1.9000106.6N207 E211N207-N209 VanDerWaalsContact OD1-CB 3.23Å; N207-N209 WeakPolarHBondContact OD1-CB 3.47Å; N207-N209 PolarHBondContact OD1-N 2.78Å; N207-N209 PolarHBondContact OD1-ND2 3.39Å; N207-N209 PolarHBondContact OD1-OD1 3.45Å; N207-N209 VanDerWaalsContact OD1-OD1 3.07Å; N209-E211 PolarHBondContact O-N 3.44Å
210F72.1Confident70.3Confident144 Ų144161.8 Ų161.863%0.63279%0.788SS**G310 helixtrans-67.216.8-178.6-63.1-74.8000113.8R208 T212 L213R208-F210 VanDerWaalsContact C-N 3.33Å; R208-F210 WeakPolarHBondContact O-CD2 3.46Å; R208-F210 WeakPolarHBondContact O-CE2 3.28Å; R208-F210 PolarHBondContact O-N 3.42Å; F210-T212 PolarHBondContact O-N 3.4Å; F210-T212 VanDerWaalsContact O-N 3.1Å; F210-L213 HydrophobicContact CB-CD1 4.14Å; F210-L213 HydrophobicContact CB-CG 4.47Å; F210-L213 HydrophobicContact CD1-CD1 3.41Å; F210-L213 VanDerWaalsContact CD1-CD1 3.41Å; F210-L213 HydrophobicContact CD1-CG 4.27Å; F210-L213 HydrophobicContact CE1-CD1 4.19Å; F210-L213 HydrophobicContact CG-CD1 4.19Å; F210-L213 PolarHBondContact O-N 3.29Å
211E69.4Low70.6Confident159 Ų159161.1 Ų161.174%0.74378%0.784SS**G310 helixtrans-59.7-22.5-177.6-72178.9165.800112.7N209N209-E211 PolarHBondContact O-N 3.44Å
212T61.8Low70.3Confident120 Ų120158.8 Ų158.874%0.73678%0.779SS**G310 helixtrans-89.7-1.3177.540.70000114.9F210 T214F210-T212 PolarHBondContact O-N 3.4Å; F210-T212 VanDerWaalsContact O-N 3.1Å; T212-T214 PolarHBondContact O-N 3.41Å
213L63.9Low69.6Low130 Ų130155.8 Ų155.868%0.68177%0.772SS**G310 helixtrans-83.6-2.3-178.8-71.5-174.2000114.8F210F210-L213 HydrophobicContact CB-CD1 4.14Å; F210-L213 HydrophobicContact CB-CG 4.47Å; F210-L213 HydrophobicContact CD1-CD1 3.41Å; F210-L213 VanDerWaalsContact CD1-CD1 3.41Å; F210-L213 HydrophobicContact CD1-CG 4.27Å; F210-L213 HydrophobicContact CE1-CD1 4.19Å; F210-L213 HydrophobicContact CG-CD1 4.19Å; F210-L213 PolarHBondContact O-N 3.29Å
214T62Low68.9Low106 Ų106150.3 Ų150.365%0.6576%0.764SS**G310 helixtrans-100.613.1-170.254.80000115.9T212T212-T214 PolarHBondContact O-N 3.41Å
215N58.6Low68.1Low138 Ų138152.5 Ų152.574%0.73876%0.762SS**SBendtrans-10021.9-172.5-76.6-10.8000116.6
216N54.9Low66.9Low165 Ų165147.7 Ų147.788%0.88275%0.749SS**  trans-140.260.4176.3-72.9-34.6000112.7
217I45.5Very low65.7Low239 Ų239147.2 Ų147.2100%1.22675%0.746SS**  trans-114.20161.5-61.7177000107.9

Retrieved 217 of 217 residues in 93.3 ms (Link to these results)

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