A0A077ZDA4_TRITR Loading...

HAD 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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
1M51.9Low72.9Confident135 Ų13583.4 Ų83.467%0.66546%0.455SS*.  0107.90-70.2173.3-118.700108.4H240M1-H240 HydrophobicContact CE-CB 3.84Å; M1-H240 WeakPolarHBondContact CE-CD2 3.37Å
2K43.5Very low75.1Confident217 Ų21776.4 Ų76.494%0.94342%0.417SS*.  trans-91.5106.7169-77.1-179176.7179.40105.8
3G50.9Low76.9Confident50 Ų5070.7 Ų70.752%0.51539%0.386SS..  trans140.9-18163.900000118.5S5G3-S5 PolarHBondContact O-N 2.86Å
4V52.9Low78.5Confident49 Ų4966.2 Ų66.230%0.29736%0.361SS..  trans-7776.2172.2-171.30000108I6 I8 I226V4-I6 VanDerWaalsContact C-N 3.27Å; V4-I6 VanDerWaalsContact CG1-O 3.29Å; V4-I6 WeakPolarHBondContact CG1-O 3.31Å; V4-I8 HydrophobicContact CG1-CG1 4.29Å; V4-I226 HydrophobicContact CG2-CD1 4.04Å; V4-I226 HydrophobicContact CG2-CG1 4.01Å
5S54.7Low79.8Confident114 Ų11461.8 Ų61.880%0.79734%0.337SS*.  trans-82.2-10178.566.40000112.5G3G3-S5 PolarHBondContact O-N 2.86Å
6I69.6Low81Confident66 Ų6659.3 Ų59.334%0.33832%0.323SS..SBendtrans-117.2133.1-177.8-58.7170.6000108.6V4 I8 E183 Q205V4-I6 VanDerWaalsContact C-N 3.27Å; V4-I6 VanDerWaalsContact CG1-O 3.29Å; V4-I6 WeakPolarHBondContact CG1-O 3.31Å; I6-I8 PolarHBondContact O-N 3.46Å; I6-E183 VanDerWaalsContact CG2-O 3.31Å; I6-E183 WeakPolarHBondContact CG2-O 3.09Å; I6-Q205 PolarHBondContact O-NE2 2.79Å
7L88.4Confident81.9Confident139 Ų13955.9 Ų55.973%0.72831%0.305SS*.  trans-59.4123.7176-82.8154.1000110.7N184L7-N184 WeakPolarHBondContact O-CB 3.44Å; L7-N184 PolarHBondContact O-ND2 3.32Å
8I96.3Very high82.8Confident11 Ų1152.8 Ų52.86%0.05629%0.288CS..  trans-79132.9168.8-58-61.3000108.8V4 I6 T10 L186 Q205 I241 F242V4-I8 HydrophobicContact CG1-CG1 4.29Å; I6-I8 PolarHBondContact O-N 3.46Å; I8-T10 WeakPolarHBondContact CG2-O 3.27Å; I8-L186 HydrophobicContact CD1-CB 3.96Å; I8-L186 HydrophobicContact CD1-CD1 4.45Å; I8-L186 HydrophobicContact CG1-CB 4.39Å; I8-L186 HydrophobicContact CG2-CB 3.89Å; I8-Q205 HydrophobicContact CD1-CB 3.93Å; I8-Q205 HydrophobicContact CD1-CG 4.02Å; I8-I241 HydrophobicContact CB-CG2 3.75Å; I8-I241 HydrophobicContact CG1-CG2 3.95Å; I8-I241 HydrophobicContact CG2-CG2 4.37Å; I8-F242 HydrophobicContact CB-CE1 4.44Å; I8-F242 HydrophobicContact CB-CZ 4.23Å; I8-F242 HydrophobicContact CG2-CE1 4.22Å; I8-F242 HydrophobicContact CG2-CZ 3.66Å; I8-F242 VanDerWaalsContact O-CE1 3.28Å; I8-F242 WeakPolarHBondContact O-CE1 3.5Å
9E97.1Very high83.7Confident117 Ų11750.1 Ų50.155%0.54727%0.273SS..  trans-116.3-25.8178.8-65.1-179.4170.500112.4P125 N184E9-P125 WeakPolarHBondContact O-CD 3.29Å; E9-N184 HydrophobicContact CB-CB 4.16Å; E9-N184 HydrophobicContact CG-CB 4.01Å; E9-N184 PolarHBondContact N-O 3.17Å
10T98.3Very high84.4Confident19 Ų1947.8 Ų47.812%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-141155.1-177.359.80000111.3I8 P125 L180 N184 S185 L186I8-T10 WeakPolarHBondContact CG2-O 3.27Å; T10-P125 HydrophobicContact CG2-CB 3.92Å; T10-P125 HydrophobicContact CG2-CG 3.92Å; T10-L180 HydrophobicContact CG2-CB 4.47Å; T10-N184 PolarHBondContact N-O 3.08Å; T10-S185 WeakPolarHBondContact OG1-CB 3.35Å; T10-S185 PolarHBondContact OG1-OG 2.98Å; T10-L186 PolarHBondContact O-N 2.73Å
11V98.7Very high85Confident0 Ų046.8 Ų46.80%026%0.255CS..EExtended strand (participates in β ladder)trans-128.2134.1-179.8-170.10000109.6F13 L119 V124 P125 V126 S127 L186 V188 F238 F242V11-F13 HydrophobicContact CB-CE2 4.14Å; V11-F13 HydrophobicContact CG1-CD2 3.89Å; V11-F13 HydrophobicContact CG1-CE2 3.32Å; V11-F13 HydrophobicContact CG1-CZ 3.74Å; V11-L119 HydrophobicContact CB-CD1 4.3Å; V11-L119 HydrophobicContact CG1-CD1 4.47Å; V11-L119 HydrophobicContact CG2-CD1 4.16Å; V11-L119 HydrophobicContact CG2-CD2 4.1Å; V11-V124 HydrophobicContact CG2-CG1 3.97Å; V11-P125 PolarHBondContact N-O 2.83Å; V11-V126 VanDerWaalsContact O-CA 3.29Å; V11-V126 WeakPolarHBondContact O-CA 3.4Å; V11-S127 PolarHBondContact O-N 3.17Å; V11-L186 WeakPolarHBondContact CA-O 3.5Å; V11-V188 HydrophobicContact CG1-CG2 3.74Å; V11-F238 HydrophobicContact CB-CE1 4.4Å; V11-F238 HydrophobicContact CG1-CE1 3.81Å; V11-F238 HydrophobicContact CG1-CZ 3.81Å; V11-F238 HydrophobicContact CG2-CD1 4.4Å; V11-F238 HydrophobicContact CG2-CE1 3.64Å; V11-F238 HydrophobicContact CG2-CZ 4.47Å; V11-F242 HydrophobicContact CG2-CE2 3.86Å; V11-F242 HydrophobicContact CG2-CZ 3.85Å
12V98.9Very high87.1Confident0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-125.1127.8177.3-1760000109S127 I129 F178 L180 L186 Y187 V188 W204V12-S127 CarbonylContact C-O 3.57Å; V12-S127 VanDerWaalsContact CA-O 3.27Å; V12-S127 WeakPolarHBondContact CA-O 3.47Å; V12-I129 HydrophobicContact CG1-CB 4.33Å; V12-I129 HydrophobicContact CG1-CD1 3.99Å; V12-I129 HydrophobicContact CG1-CG1 3.74Å; V12-F178 HydrophobicContact CG1-CE2 4.36Å; V12-F178 HydrophobicContact CG2-CD2 4.46Å; V12-L180 HydrophobicContact CG2-CD2 3.98Å; V12-L186 PolarHBondContact N-O 3.47Å; V12-Y187 HydrophobicContact CB-CD2 3.95Å; V12-Y187 HydrophobicContact CB-CE2 4.35Å; V12-Y187 HydrophobicContact CG1-CD2 3.84Å; V12-Y187 HydrophobicContact CG1-CE2 3.76Å; V12-Y187 CarbonylContact O-C 3.6Å; V12-Y187 WeakPolarHBondContact O-CA 3.29Å; V12-V188 PolarHBondContact O-N 3.25Å; V12-W204 HydrophobicContact CB-CZ3 3.95Å; V12-W204 HydrophobicContact CG1-CZ3 4.47Å; V12-W204 HydrophobicContact CG2-CH2 4.1Å; V12-W204 HydrophobicContact CG2-CZ3 3.55Å
13F98.9Very high89.6Confident2 Ų231.9 Ų31.91%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-106.4143.3-177.4-72.2-94.5000111.6V11 T18 I19 L116 L119 V126 S127 I128 I129 V188 F238V11-F13 HydrophobicContact CB-CE2 4.14Å; V11-F13 HydrophobicContact CG1-CD2 3.89Å; V11-F13 HydrophobicContact CG1-CE2 3.32Å; V11-F13 HydrophobicContact CG1-CZ 3.74Å; F13-T18 HydrophobicContact CD1-CG2 4.24Å; F13-I19 HydrophobicContact CB-CD1 3.93Å; F13-I19 HydrophobicContact CD1-CD1 3.93Å; F13-I19 HydrophobicContact CG-CD1 4.03Å; F13-L116 HydrophobicContact CD2-CD2 4.36Å; F13-L116 HydrophobicContact CE2-CD2 3.93Å; F13-L116 HydrophobicContact CZ-CD2 4.43Å; F13-L119 HydrophobicContact CE2-CD1 4Å; F13-L119 HydrophobicContact CZ-CD1 4.22Å; F13-V126 HydrophobicContact CD2-CG1 3.79Å; F13-V126 HydrophobicContact CE2-CG1 4.01Å; F13-S127 PolarHBondContact N-O 3.32Å; F13-I128 WeakPolarHBondContact O-CA 3.4Å; F13-I129 PolarHBondContact O-N 3.31Å; F13-I129 VanDerWaalsContact O-N 3.08Å; F13-V188 HydrophobicContact CD1-CB 3.59Å; F13-V188 HydrophobicContact CD1-CG1 3.66Å; F13-V188 HydrophobicContact CD1-CG2 4.12Å; F13-V188 HydrophobicContact CE1-CB 3.8Å; F13-V188 HydrophobicContact CE1-CG1 3.64Å; F13-V188 HydrophobicContact CE1-CG2 3.89Å; F13-V188 HydrophobicContact CG-CB 4.22Å; F13-V188 HydrophobicContact CZ-CG2 4.21Å; F13-F238 HydrophobicContact CZ-CE2 4.3Å; F13-F238 HydrophobicContact CZ-CZ 4.13Å
14D98.8Very high91.8Very high8 Ų832 Ų324%0.04317%0.174CC..  trans-71.1171.2150.3-174.246.2000110.7D16 T18 I19 T130 K165 Y187 V188D14-D16 PolarHBondContact OD2-N 2.77Å; D14-D16 VanDerWaalsContact OD2-O 3.13Å; D14-T18 HydrophobicContact CB-CG2 4.31Å; D14-I19 VanDerWaalsContact O-CG1 3.25Å; D14-I19 WeakPolarHBondContact O-CG1 3.22Å; D14-T130 WeakPolarHBondContact OD1-CB 3.33Å; D14-T130 PolarHBondContact OD1-OG1 2.89Å; D14-K165 IonicContact OD1-NZ 2.76Å; D14-K165 PolarHBondContact OD1-NZ 3.05Å; D14-K165 IonicContact OD2-NZ 2.98Å; D14-Y187 HydrophobicContact CB-CE1 4.48Å; D14-V188 PolarHBondContact N-O 3.36Å
15I98.7Very high94Very high0 Ų029.9 Ų29.90%016%0.161CC..  trans-105.8-59.2176-60.4-174.4000111.8D17 T18 I19 Y20 I128 T130 K140 I141 L144 L146I15-D17 PolarHBondContact O-N 3.36Å; I15-T18 PolarHBondContact O-N 3.34Å; I15-T18 VanDerWaalsContact O-N 3.12Å; I15-I19 PolarHBondContact O-N 3.49Å; I15-Y20 HydrophobicContact CG2-CD1 4.25Å; I15-Y20 HydrophobicContact CG2-CE1 4.08Å; I15-I128 HydrophobicContact CD1-CG2 3.93Å; I15-I128 HydrophobicContact CG1-CG2 3.79Å; I15-T130 HydrophobicContact CD1-CG2 3.86Å; I15-T130 HydrophobicContact CG1-CG2 4.17Å; I15-K140 HydrophobicContact CG2-CB 4.49Å; I15-K140 HydrophobicContact CG2-CD 4.43Å; I15-I141 HydrophobicContact CD1-CD1 3.91Å; I15-I141 HydrophobicContact CD1-CG1 3.39Å; I15-L144 HydrophobicContact CG2-CD1 3.84Å; I15-L146 HydrophobicContact CD1-CD1 4.13Å; I15-L146 HydrophobicContact CG1-CD1 4.33Å
16D97.8Very high96.1Very high22 Ų2224.5 Ų24.512%0.11812%0.123CC..THydrogen-bonded Turntrans-64.2124.2-168.8-87.1-63.6000110.9D14 T18 Y20 Q22 Q137 K140D14-D16 PolarHBondContact OD2-N 2.77Å; D14-D16 VanDerWaalsContact OD2-O 3.13Å; D16-T18 PolarHBondContact O-N 3.35Å; D16-T18 PolarHBondContact O-OG1 3.41Å; D16-Y20 PolarHBondContact OD1-OH 2.77Å; D16-Q22 VanDerWaalsContact CG-NE2 3.28Å; D16-Q22 PolarHBondContact OD1-NE2 3.49Å; D16-Q137 PolarHBondContact OD2-NE2 3.11Å; D16-K140 IonicContact OD1-NZ 3.32Å; D16-K140 PolarHBondContact OD1-NZ 3.46Å; D16-K140 IonicContact OD2-NZ 2.61Å; D16-K140 PolarHBondContact OD2-NZ 3.09Å
17D97.3Very high97.4Very high1 Ų123.4 Ų23.41%0.00512%0.115CC..THydrogen-bonded Turntrans58.810.2-177.6-144.743.1000115I15 Y20 Q22 D190 H211 R212 R214I15-D17 PolarHBondContact O-N 3.36Å; D17-Y20 CarbonylContact C-O 3.47Å; D17-Y20 WeakPolarHBondContact CA-O 3.37Å; D17-Y20 PolarHBondContact N-O 3.48Å; D17-Q22 HydrophobicContact CB-CB 3.93Å; D17-Q22 PolarHBondContact OD1-N 3.35Å; D17-D190 HydrophobicContact CB-CB 4.22Å; D17-H211 VanDerWaalsContact CG-CE1 3.5Å; D17-H211 VanDerWaalsContact CG-NE2 3.29Å; D17-H211 PolarHBondContact O-CD2 3.18Å; D17-H211 PolarHBondContact O-NE2 3.31Å; D17-H211 IonicContact OD1-CE1 3.08Å; D17-H211 PolarHBondContact OD1-CE1 3.13Å; D17-H211 VanDerWaalsContact OD1-CE1 3.32Å; D17-H211 IonicContact OD1-NE2 2.76Å; D17-H211 PolarHBondContact OD1-NE2 3.12Å; D17-H211 IonicContact OD2-CE1 2.75Å; D17-H211 PolarHBondContact OD2-CE1 3.21Å; D17-H211 IonicContact OD2-NE2 3.75Å; D17-H211 PolarHBondContact OD2-NE2 3.14Å; D17-R212 IonicContact OD1-CZ 3.91Å; D17-R212 IonicContact OD1-NE 3.39Å; D17-R212 PolarHBondContact OD1-NE 3.1Å; D17-R212 IonicContact OD1-NH2 2.74Å; D17-R212 PolarHBondContact OD1-NH2 3.43Å; D17-R212 WeakPolarHBondContact OD2-CD 3.38Å; D17-R212 IonicContact OD2-CZ 3.78Å; D17-R212 IonicContact OD2-NE 3.05Å; D17-R212 PolarHBondContact OD2-NE 3Å; D17-R212 IonicContact OD2-NH2 3.64Å; D17-R214 IonicContact OD2-CZ 2.66Å; D17-R214 IonicContact OD2-NH1 2.65Å; D17-R214 PolarHBondContact OD2-NH1 3.32Å; D17-R214 IonicContact OD2-NH2 2.93Å; D17-R214 PolarHBondContact OD2-NH2 2.97Å
18T98.7Very high97.9Very high1 Ų120 Ų201%0.00610%0.095CC..THydrogen-bonded Turntrans-117.4-41.5-178.2-60.50000112.1F13 D14 I15 D16 V188 G189 D190 F231F13-T18 HydrophobicContact CD1-CG2 4.24Å; D14-T18 HydrophobicContact CB-CG2 4.31Å; I15-T18 PolarHBondContact O-N 3.34Å; I15-T18 VanDerWaalsContact O-N 3.12Å; D16-T18 PolarHBondContact O-N 3.35Å; D16-T18 PolarHBondContact O-OG1 3.41Å; T18-V188 HydrophobicContact CG2-CG1 4.07Å; T18-G189 WeakPolarHBondContact OG1-CA 3.11Å; T18-D190 PolarHBondContact OG1-N 3.12Å; T18-D190 VanDerWaalsContact OG1-N 3.15Å; T18-F231 WeakPolarHBondContact O-CE1 3.36Å
19I98.6Very high98Very high1 Ų119.5 Ų19.51%0.0059%0.092CC..THydrogen-bonded Turntrans-93.8-29.3175.2-62.8-64.9000111.3F13 D14 I15 M108 H109 V112 L144 L146F13-I19 HydrophobicContact CB-CD1 3.93Å; F13-I19 HydrophobicContact CD1-CD1 3.93Å; F13-I19 HydrophobicContact CG-CD1 4.03Å; D14-I19 VanDerWaalsContact O-CG1 3.25Å; D14-I19 WeakPolarHBondContact O-CG1 3.22Å; I15-I19 PolarHBondContact O-N 3.49Å; I19-M108 HydrophobicContact CG2-CB 4.42Å; I19-M108 HydrophobicContact CG2-CE 3.91Å; I19-M108 HydrophobicContact CG2-CG 3.81Å; I19-M108 HydrophobicContact CG2-SD 4.39Å; I19-H109 PolarHBondContact O-N 3.43Å; I19-V112 HydrophobicContact CD1-CG1 3.6Å; I19-V112 HydrophobicContact CG2-CG1 4.22Å; I19-L144 HydrophobicContact CB-CD1 4.43Å; I19-L144 HydrophobicContact CG2-CD1 3.89Å; I19-L146 HydrophobicContact CD1-CD2 4.29Å; I19-L146 HydrophobicContact CG1-CD2 4.5Å; I19-L146 HydrophobicContact CG2-CD1 4.29Å; I19-L146 HydrophobicContact CG2-CD2 4.09Å; I19-L146 HydrophobicContact CG2-CG 4.46Å
20Y98.1Very high98.1Very high4 Ų414 Ų142%0.0167%0.066CC..SBendtrans-142.9161.9-177.879.1-74.7000110.2I15 D16 D17 Q22 I106 T107 K140 L144I15-Y20 HydrophobicContact CG2-CD1 4.25Å; I15-Y20 HydrophobicContact CG2-CE1 4.08Å; D16-Y20 PolarHBondContact OD1-OH 2.77Å; D17-Y20 CarbonylContact C-O 3.47Å; D17-Y20 WeakPolarHBondContact CA-O 3.37Å; D17-Y20 PolarHBondContact N-O 3.48Å; Y20-Q22 HydrophobicContact CE2-CB 4.39Å; Y20-Q22 PolarHBondContact O-N 3.33Å; Y20-I106 HydrophobicContact CD1-CD1 4.5Å; Y20-I106 HydrophobicContact CD2-CB 4Å; Y20-I106 HydrophobicContact CD2-CD1 4.3Å; Y20-I106 HydrophobicContact CD2-CG2 3.95Å; Y20-I106 HydrophobicContact CE1-CD1 4.27Å; Y20-I106 HydrophobicContact CE2-CB 4.12Å; Y20-I106 HydrophobicContact CE2-CD1 4.06Å; Y20-I106 HydrophobicContact CE2-CG2 3.65Å; Y20-T107 WeakPolarHBondContact CB-O 3.39Å; Y20-K140 HydrophobicContact CE1-CD 4.29Å; Y20-K140 WeakPolarHBondContact OH-CE 3.33Å; Y20-K140 PolarHBondContact OH-NZ 3.39Å; Y20-L144 HydrophobicContact CD1-CD1 3.94Å; Y20-L144 HydrophobicContact CG-CD1 4.48Å; Y20-L144 HydrophobicContact CG-CD2 4.33Å
21D96.2Very high98Very high27 Ų2717.5 Ų17.514%0.1448%0.081CC..  trans-77.7107.8173.9177.4-2.7000109.8Q23 E24 R27 R212D21-Q23 PolarHBondContact O-N 3.09Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.21Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.35Å; D21-Q23 PolarHBondContact OD1-N 2.96Å; D21-E24 HydrophobicContact CB-CB 3.87Å; D21-E24 WeakPolarHBondContact O-CB 3.46Å; D21-E24 PolarHBondContact O-N 2.99Å; D21-E24 VanDerWaalsContact O-N 3.11Å; D21-E24 PolarHBondContact OD1-N 3.41Å; D21-R27 IonicContact OD2-CZ 2.7Å; D21-R27 IonicContact OD2-NH1 3.96Å; D21-R27 PolarHBondContact OD2-NH1 3.26Å; D21-R27 IonicContact OD2-NH2 3.65Å; D21-R27 PolarHBondContact OD2-NH2 3.15Å; D21-R212 IonicContact OD1-CZ 3.19Å; D21-R212 IonicContact OD1-NH1 2.95Å; D21-R212 IonicContact OD1-NH2 3.48Å; D21-R212 PolarHBondContact OD1-NH2 3.03Å
22Q96.1Very high98Very high34 Ų3424.2 Ų24.216%0.15911%0.11CC..THydrogen-bonded Turntrans-66-24.8-178.4-165.4-171.660.800112.9D16 D17 Y20 Y46D16-Q22 VanDerWaalsContact CG-NE2 3.28Å; D16-Q22 PolarHBondContact OD1-NE2 3.49Å; D17-Q22 HydrophobicContact CB-CB 3.93Å; D17-Q22 PolarHBondContact OD1-N 3.35Å; Y20-Q22 HydrophobicContact CE2-CB 4.39Å; Y20-Q22 PolarHBondContact O-N 3.33Å; Q22-Y46 WeakPolarHBondContact CG-OH 3.48Å; Q22-Y46 PolarHBondContact OE1-OH 2.9Å
23Q96.8Very high98Very high5 Ų526.9 Ų26.92%0.02312%0.124CC..THydrogen-bonded Turntrans-80.5-21.2177176.4177.895.600112D21 F26 R27 Y46D21-Q23 PolarHBondContact O-N 3.09Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.21Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.35Å; D21-Q23 PolarHBondContact OD1-N 2.96Å; Q23-F26 WeakPolarHBondContact O-CA 3.46Å; Q23-F26 WeakPolarHBondContact O-CB 3.16Å; Q23-F26 PolarHBondContact O-N 2.93Å; Q23-R27 PolarHBondContact O-N 3.03Å; Q23-Y46 HydrophobicContact CB-CD1 4Å; Q23-Y46 HydrophobicContact CB-CE1 4.11Å; Q23-Y46 HydrophobicContact CB-CG 4.29Å; Q23-Y46 HydrophobicContact CG-CD1 4.09Å; Q23-Y46 HydrophobicContact CG-CD2 4.46Å; Q23-Y46 HydrophobicContact CG-CG 3.96Å
24E97.2Very high97.9Very high52 Ų5227.8 Ų27.824%0.24313%0.128CC..Hα-helixtrans-56.2-44.9-172.5-175.8-174.217900113.4D21 F26 R27 K28D21-E24 HydrophobicContact CB-CB 3.87Å; D21-E24 WeakPolarHBondContact O-CB 3.46Å; D21-E24 PolarHBondContact O-N 2.99Å; D21-E24 VanDerWaalsContact O-N 3.11Å; D21-E24 PolarHBondContact OD1-N 3.41Å; E24-F26 VanDerWaalsContact C-N 3.28Å; E24-F26 PolarHBondContact O-N 3.14Å; E24-R27 WeakPolarHBondContact O-CB 3.22Å; E24-R27 PolarHBondContact O-N 3.41Å; E24-K28 HydrophobicContact CG-CD 4.27Å; E24-K28 HydrophobicContact CG-CG 4.46Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.18Å; E24-K28 WeakPolarHBondContact OE1-CE 3.39Å; E24-K28 IonicContact OE1-NZ 2.67Å; E24-K28 PolarHBondContact OE1-NZ 2.8Å
25P98.2Very high97.7Very high5 Ų532.2 Ų32.23%0.03216%0.157CC..Hα-helixtrans-59.8-38.9175.6-28.138.6000113.4A29 Y99 E102 L103 I106P25-A29 PolarHBondContact O-N 2.76Å; P25-A29 VanDerWaalsContact O-N 3.13Å; P25-Y99 HydrophobicContact CB-CD2 4.11Å; P25-Y99 HydrophobicContact CB-CE2 3.91Å; P25-E102 HydrophobicContact CB-CB 3.68Å; P25-L103 HydrophobicContact CB-CD2 4.07Å; P25-L103 HydrophobicContact CB-CG 4.16Å; P25-L103 HydrophobicContact CG-CD2 4.18Å; P25-I106 HydrophobicContact CG-CG2 3.62Å
26F98.5Very high97.5Very high0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-66.1-47.2176.2177.5-91.9000110.7Q23 E24 K28 A29 V30 L45 Y46 F49 I75 F95 Y99Q23-F26 WeakPolarHBondContact O-CA 3.46Å; Q23-F26 WeakPolarHBondContact O-CB 3.16Å; Q23-F26 PolarHBondContact O-N 2.93Å; E24-F26 VanDerWaalsContact C-N 3.28Å; E24-F26 PolarHBondContact O-N 3.14Å; F26-K28 VanDerWaalsContact C-N 3.34Å; F26-K28 PolarHBondContact O-N 3Å; F26-A29 PolarHBondContact O-N 2.64Å; F26-V30 HydrophobicContact CD1-CG2 3.98Å; F26-V30 HydrophobicContact CE1-CG2 3.5Å; F26-V30 HydrophobicContact CE2-CG2 4.08Å; F26-V30 HydrophobicContact CG-CG2 4.45Å; F26-V30 HydrophobicContact CZ-CG2 3.54Å; F26-V30 WeakPolarHBondContact O-CG2 3.07Å; F26-V30 PolarHBondContact O-N 3.05Å; F26-L45 HydrophobicContact CE1-CB 4.36Å; F26-L45 HydrophobicContact CE1-CD2 3.92Å; F26-L45 HydrophobicContact CE1-CG 3.96Å; F26-L45 HydrophobicContact CZ-CD2 3.88Å; F26-L45 HydrophobicContact CZ-CG 3.78Å; F26-Y46 HydrophobicContact CB-CD2 3.72Å; F26-Y46 HydrophobicContact CB-CE2 3.99Å; F26-Y46 AromaticContact CD1-CD2 3.73Å; F26-Y46 HydrophobicContact CD1-CD2 3.73Å; F26-Y46 HydrophobicContact CD1-CG 4.2Å; F26-Y46 AromaticContact CD2-CD2 3.97Å; F26-Y46 HydrophobicContact CD2-CD2 3.97Å; F26-Y46 HydrophobicContact CE1-CD2 4.35Å; F26-Y46 AromaticContact CG-CD2 3.52Å; F26-Y46 HydrophobicContact CG-CD2 3.52Å; F26-Y46 HydrophobicContact CG-CE2 4.21Å; F26-Y46 HydrophobicContact CG-CG 4.42Å; F26-F49 AromaticContact CD2-CD1 3.93Å; F26-F49 HydrophobicContact CD2-CD1 3.93Å; F26-F49 HydrophobicContact CD2-CD2 4.46Å; F26-F49 HydrophobicContact CD2-CE1 4.08Å; F26-F49 HydrophobicContact CD2-CG 4.11Å; F26-F49 HydrophobicContact CD2-CZ 4.38Å; F26-F49 HydrophobicContact CE2-CB 3.82Å; F26-F49 AromaticContact CE2-CD1 3.83Å; F26-F49 HydrophobicContact CE2-CD1 3.83Å; F26-F49 AromaticContact CE2-CD2 3.7Å; F26-F49 HydrophobicContact CE2-CD2 3.7Å; F26-F49 HydrophobicContact CE2-CE1 4.25Å; F26-F49 HydrophobicContact CE2-CE2 4.12Å; F26-F49 AromaticContact CE2-CG 3.51Å; F26-F49 HydrophobicContact CE2-CG 3.51Å; F26-F49 HydrophobicContact CE2-CZ 4.36Å; F26-F49 HydrophobicContact CZ-CB 4.08Å; F26-F49 HydrophobicContact CZ-CG 4.27Å; F26-I75 HydrophobicContact CE2-CD1 4.2Å; F26-I75 HydrophobicContact CZ-CD1 4.24Å; F26-F95 HydrophobicContact CD2-CE2 4.44Å; F26-F95 AromaticContact CD2-CZ 3.67Å; F26-F95 HydrophobicContact CD2-CZ 3.67Å; F26-F95 HydrophobicContact CE2-CE1 4.36Å; F26-F95 HydrophobicContact CE2-CE2 4.27Å; F26-F95 AromaticContact CE2-CZ 3.52Å; F26-F95 HydrophobicContact CE2-CZ 3.52Å; F26-F95 HydrophobicContact CZ-CZ 4.45Å; F26-Y99 HydrophobicContact CB-CD2 4.26Å; F26-Y99 HydrophobicContact CB-CE2 3.78Å
27R98.1Very high97.6Very high44 Ų4438.2 Ų38.217%0.16619%0.189CC..Hα-helixtrans-56.2-47.8177.7-172.9-171.3-65.31091.9110.9D21 Q23 E24 A29 V30 Q31 E39 M42D21-R27 IonicContact OD2-CZ 2.7Å; D21-R27 IonicContact OD2-NH1 3.96Å; D21-R27 PolarHBondContact OD2-NH1 3.26Å; D21-R27 IonicContact OD2-NH2 3.65Å; D21-R27 PolarHBondContact OD2-NH2 3.15Å; Q23-R27 PolarHBondContact O-N 3.03Å; E24-R27 WeakPolarHBondContact O-CB 3.22Å; E24-R27 PolarHBondContact O-N 3.41Å; R27-A29 PolarHBondContact O-N 2.77Å; R27-V30 PolarHBondContact O-N 3.45Å; R27-Q31 HydrophobicContact CG-CG 4.33Å; R27-Q31 WeakPolarHBondContact O-CB 3.3Å; R27-Q31 VanDerWaalsContact O-CG 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.36Å; R27-Q31 PolarHBondContact O-N 3.5Å; R27-E39 WeakPolarHBondContact CD-OE1 3.28Å; R27-E39 IonicContact NE-OE1 2.67Å; R27-E39 PolarHBondContact NE-OE1 2.98Å; R27-E39 VanDerWaalsContact NE-OE1 3.08Å; R27-M42 HydrophobicContact CG-CG 4.17Å; R27-M42 HydrophobicContact CG-SD 4.04Å
28K98.3Very high97.5Very high68 Ų6840.2 Ų40.230%0.29620%0.203SC..Hα-helixtrans-60.5-44.1178.1-73177.9-178.21640112.2E24 F26 K32 E102E24-K28 HydrophobicContact CG-CD 4.27Å; E24-K28 HydrophobicContact CG-CG 4.46Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.18Å; E24-K28 WeakPolarHBondContact OE1-CE 3.39Å; E24-K28 IonicContact OE1-NZ 2.67Å; E24-K28 PolarHBondContact OE1-NZ 2.8Å; F26-K28 VanDerWaalsContact C-N 3.34Å; F26-K28 PolarHBondContact O-N 3Å; K28-K32 VanDerWaalsContact O-CB 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.37Å; K28-K32 PolarHBondContact O-N 3.33Å; K28-K32 VanDerWaalsContact O-N 3.07Å; K28-E102 HydrophobicContact CB-CG 3.99Å; K28-E102 WeakPolarHBondContact CD-OE2 3.27Å
29A98.6Very high97.4Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-64.4-44177.500000112.5P25 F26 R27 K32 L33 F95 V98P25-A29 PolarHBondContact O-N 2.76Å; P25-A29 VanDerWaalsContact O-N 3.13Å; F26-A29 PolarHBondContact O-N 2.64Å; R27-A29 PolarHBondContact O-N 2.77Å; A29-K32 PolarHBondContact O-N 2.98Å; A29-L33 PolarHBondContact O-N 3.17Å; A29-F95 HydrophobicContact CB-CD2 3.9Å; A29-F95 HydrophobicContact CB-CE2 3.54Å; A29-F95 HydrophobicContact CB-CZ 4.32Å; A29-V98 HydrophobicContact CB-CB 4.33Å; A29-V98 HydrophobicContact CB-CG1 3.8Å
30V98.6Very high97.3Very high0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-64.5-49.2176.6173.70000111.1F26 R27 K32 L33 F34 V37 M42 L45 F95F26-V30 HydrophobicContact CD1-CG2 3.98Å; F26-V30 HydrophobicContact CE1-CG2 3.5Å; F26-V30 HydrophobicContact CE2-CG2 4.08Å; F26-V30 HydrophobicContact CG-CG2 4.45Å; F26-V30 HydrophobicContact CZ-CG2 3.54Å; F26-V30 WeakPolarHBondContact O-CG2 3.07Å; F26-V30 PolarHBondContact O-N 3.05Å; R27-V30 PolarHBondContact O-N 3.45Å; V30-K32 PolarHBondContact O-N 2.92Å; V30-L33 PolarHBondContact O-N 2.8Å; V30-F34 HydrophobicContact CG1-CB 4.26Å; V30-F34 HydrophobicContact CG1-CD2 4.36Å; V30-F34 CarbonylContact O-C 3.35Å; V30-F34 WeakPolarHBondContact O-CA 3.42Å; V30-F34 PolarHBondContact O-N 3.39Å; V30-V37 HydrophobicContact CG1-CB 3.71Å; V30-V37 HydrophobicContact CG1-CG1 3.88Å; V30-V37 HydrophobicContact CG1-CG2 3.8Å; V30-M42 HydrophobicContact CB-CE 4.33Å; V30-M42 HydrophobicContact CB-SD 4.14Å; V30-M42 HydrophobicContact CG1-CE 3.75Å; V30-M42 HydrophobicContact CG1-SD 3.86Å; V30-L45 HydrophobicContact CG1-CD2 3.92Å; V30-L45 HydrophobicContact CG2-CD2 3.95Å; V30-F95 HydrophobicContact CG2-CE2 3.69Å; V30-F95 HydrophobicContact CG2-CZ 4.37Å
31Q97.8Very high97.3Very high93 Ų9355 Ų5544%0.43527%0.273SS..Hα-helixtrans-59.8-33.9180-74.7176.6-16.200112.3R27 E39 M42R27-Q31 HydrophobicContact CG-CG 4.33Å; R27-Q31 WeakPolarHBondContact O-CB 3.3Å; R27-Q31 VanDerWaalsContact O-CG 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.36Å; R27-Q31 PolarHBondContact O-N 3.5Å; Q31-E39 PolarHBondContact NE2-OE2 3.45Å; Q31-M42 HydrophobicContact CG-CE 3.63Å
32K97.7Very high97.3Very high142 Ų14253.8 Ų53.862%0.61727%0.267SS*.Hα-helixtrans-70.8-40.3178.9-175.2176179.7-177.60113.2K28 A29 V30 V98K28-K32 VanDerWaalsContact O-CB 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.37Å; K28-K32 PolarHBondContact O-N 3.33Å; K28-K32 VanDerWaalsContact O-N 3.07Å; A29-K32 PolarHBondContact O-N 2.98Å; V30-K32 PolarHBondContact O-N 2.92Å; K32-V98 HydrophobicContact CD-CG1 3.9Å; K32-V98 HydrophobicContact CD-CG2 4.34Å
33L97.9Very high97.3Very high56 Ų5655.4 Ų55.429%0.29328%0.276SS..Hα-helixtrans-107.8-29.1-169.3-65.1171.9000113.8A29 V30 P35 T94 F95 V98A29-L33 PolarHBondContact O-N 3.17Å; V30-L33 PolarHBondContact O-N 2.8Å; L33-P35 WeakPolarHBondContact O-CD 3.33Å; L33-T94 HydrophobicContact CD1-CG2 4.15Å; L33-T94 HydrophobicContact CD2-CG2 3.98Å; L33-F95 HydrophobicContact CD1-CB 3.75Å; L33-F95 HydrophobicContact CD1-CD2 4.38Å; L33-V98 HydrophobicContact CD1-CB 4.29Å; L33-V98 HydrophobicContact CD1-CG2 4.06Å
34F97.2Very high97.4Very high21 Ų2157.2 Ų57.29%0.09229%0.289CS..  trans-124.262.9-177.6-45.6-48.3000110.1V30 L36 V37 I75 L79 I87 F95V30-F34 HydrophobicContact CG1-CB 4.26Å; V30-F34 HydrophobicContact CG1-CD2 4.36Å; V30-F34 CarbonylContact O-C 3.35Å; V30-F34 WeakPolarHBondContact O-CA 3.42Å; V30-F34 PolarHBondContact O-N 3.39Å; F34-L36 PolarHBondContact O-N 3.28Å; F34-V37 HydrophobicContact CB-CG2 3.88Å; F34-V37 WeakPolarHBondContact O-CB 3.35Å; F34-V37 WeakPolarHBondContact O-CG2 3.48Å; F34-V37 PolarHBondContact O-N 3.46Å; F34-I75 HydrophobicContact CE2-CD1 4.12Å; F34-I75 HydrophobicContact CE2-CG1 3.81Å; F34-I75 HydrophobicContact CZ-CG1 4.41Å; F34-L79 HydrophobicContact CD2-CD1 4.06Å; F34-L79 HydrophobicContact CD2-CD2 4.45Å; F34-L79 HydrophobicContact CE2-CD1 4.04Å; F34-L79 HydrophobicContact CG-CD1 4.33Å; F34-L79 HydrophobicContact CZ-CD1 4.3Å; F34-I87 HydrophobicContact CD1-CG2 4.09Å; F34-I87 HydrophobicContact CE1-CB 4.43Å; F34-I87 HydrophobicContact CE1-CD1 4.1Å; F34-I87 HydrophobicContact CE1-CG2 3.67Å; F34-I87 HydrophobicContact CE2-CD1 4.39Å; F34-I87 HydrophobicContact CZ-CD1 3.64Å; F34-I87 HydrophobicContact CZ-CG2 4.27Å; F34-F95 HydrophobicContact CD2-CD2 4.34Å; F34-F95 HydrophobicContact CE2-CB 3.98Å; F34-F95 AromaticContact CE2-CD2 3.59Å; F34-F95 HydrophobicContact CE2-CD2 3.59Å; F34-F95 HydrophobicContact CE2-CE2 4.36Å; F34-F95 AromaticContact CE2-CG 3.89Å; F34-F95 HydrophobicContact CE2-CG 3.89Å; F34-F95 HydrophobicContact CZ-CB 3.88Å; F34-F95 HydrophobicContact CZ-CD2 4.33Å; F34-F95 HydrophobicContact CZ-CG 4.3Å
35P95Very high97.5Very high101 Ų10154.7 Ų54.766%0.65628%0.277SS*.THydrogen-bonded Turntrans-65.8-8.5-172.729-38000114.4L33 V37L33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-V37 VanDerWaalsContact C-N 3.29Å
36L95.8Very high97.5Very high135 Ų13555.1 Ų55.171%0.70728%0.278SS*.THydrogen-bonded Turntrans-75.5-18.6172-64177.9000112.6F34 S38 Y84 P85F34-L36 PolarHBondContact O-N 3.28Å; L36-S38 PolarHBondContact O-N 3.45Å; L36-Y84 WeakPolarHBondContact O-CE1 3.49Å; L36-P85 HydrophobicContact CD1-CG 4.25Å
37V98Very high97.4Very high12 Ų1258.6 Ų58.67%0.07330%0.299CS..SBendtrans-67.8121.9177.2-179.50000109.6V30 F34 P35 D41 M42 L45 L79 Y84V30-V37 HydrophobicContact CG1-CB 3.71Å; V30-V37 HydrophobicContact CG1-CG1 3.88Å; V30-V37 HydrophobicContact CG1-CG2 3.8Å; F34-V37 HydrophobicContact CB-CG2 3.88Å; F34-V37 WeakPolarHBondContact O-CB 3.35Å; F34-V37 WeakPolarHBondContact O-CG2 3.48Å; F34-V37 PolarHBondContact O-N 3.46Å; P35-V37 VanDerWaalsContact C-N 3.29Å; V37-D41 HydrophobicContact CG1-CB 4.33Å; V37-M42 HydrophobicContact CB-CE 4.13Å; V37-M42 HydrophobicContact CG1-CE 3.8Å; V37-M42 HydrophobicContact CG1-SD 4.11Å; V37-L45 HydrophobicContact CG1-CD2 3.91Å; V37-L45 HydrophobicContact CG2-CD2 4.33Å; V37-L79 HydrophobicContact CG2-CD2 3.79Å; V37-Y84 HydrophobicContact CB-CE1 4.27Å; V37-Y84 HydrophobicContact CG1-CE2 4.21Å; V37-Y84 HydrophobicContact CG2-CD1 4.04Å; V37-Y84 HydrophobicContact CG2-CD2 4.28Å; V37-Y84 HydrophobicContact CG2-CE1 4.02Å; V37-Y84 HydrophobicContact CG2-CE2 4.27Å; V37-Y84 HydrophobicContact CG2-CG 4.18Å
38S96.8Very high97.4Very high43 Ų4360.1 Ų60.130%0.30131%0.305SS..  trans-70.7153.8178.980.70000111.5L36 E40 D41 M42 Y84L36-S38 PolarHBondContact O-N 3.45Å; S38-E40 PolarHBondContact O-N 2.92Å; S38-D41 PolarHBondContact O-N 3.11Å; S38-D41 WeakPolarHBondContact OG-CB 3.31Å; S38-D41 PolarHBondContact OG-N 3.01Å; S38-D41 PolarHBondContact OG-OD2 3.19Å; S38-M42 PolarHBondContact O-N 2.86Å; S38-Y84 PolarHBondContact N-OH 3.3Å
39E95.6Very high97.4Very high103 Ų10357 Ų5748%0.48129%0.292SS..THydrogen-bonded Turntrans-64.5-31.9174.7-17159.2-148.300111.8R27 Q31 D41 M42R27-E39 WeakPolarHBondContact CD-OE1 3.28Å; R27-E39 IonicContact NE-OE1 2.67Å; R27-E39 PolarHBondContact NE-OE1 2.98Å; R27-E39 VanDerWaalsContact NE-OE1 3.08Å; Q31-E39 PolarHBondContact NE2-OE2 3.45Å; E39-D41 PolarHBondContact O-N 3.35Å; E39-M42 WeakPolarHBondContact O-CB 3.22Å; E39-M42 PolarHBondContact O-N 3.04Å
40E96.5Very high97.3Very high172 Ų17262.2 Ų62.280%0.80431%0.311SS*.THydrogen-bonded Turntrans-61.1-33.2176.1-174.2174.3-178.600111.9S38 P44S38-E40 PolarHBondContact O-N 2.92Å; E40-P44 WeakPolarHBondContact O-CD 3.21Å
41D97.9Very high97.2Very high41 Ų4166.3 Ų66.322%0.21934%0.336CS..THydrogen-bonded Turntrans-86.7-7-179.9-72.1-43.1000114.4V37 S38 E39 L43 P44 L45 L82 Y84V37-D41 HydrophobicContact CG1-CB 4.33Å; S38-D41 PolarHBondContact O-N 3.11Å; S38-D41 WeakPolarHBondContact OG-CB 3.31Å; S38-D41 PolarHBondContact OG-N 3.01Å; S38-D41 PolarHBondContact OG-OD2 3.19Å; E39-D41 PolarHBondContact O-N 3.35Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 2.88Å; D41-P44 WeakPolarHBondContact O-CD 3.26Å; D41-L45 WeakPolarHBondContact O-CB 3.45Å; D41-L45 PolarHBondContact O-N 3.42Å; D41-L82 HydrophobicContact CB-CD1 4.38Å; D41-Y84 HydrophobicContact CB-CE2 4.08Å; D41-Y84 PolarHBondContact OD2-OH 3.12Å
42M97.7Very high97.2Very high2 Ų263.3 Ų63.31%0.0132%0.322CS..Hα-helixtrans-59.7-43.2-176.6-72-66.1171.600112.7R27 V30 Q31 V37 S38 E39 Y46R27-M42 HydrophobicContact CG-CG 4.17Å; R27-M42 HydrophobicContact CG-SD 4.04Å; V30-M42 HydrophobicContact CB-CE 4.33Å; V30-M42 HydrophobicContact CB-SD 4.14Å; V30-M42 HydrophobicContact CG1-CE 3.75Å; V30-M42 HydrophobicContact CG1-SD 3.86Å; Q31-M42 HydrophobicContact CG-CE 3.63Å; V37-M42 HydrophobicContact CB-CE 4.13Å; V37-M42 HydrophobicContact CG1-CE 3.8Å; V37-M42 HydrophobicContact CG1-SD 4.11Å; S38-M42 PolarHBondContact O-N 2.86Å; E39-M42 WeakPolarHBondContact O-CB 3.22Å; E39-M42 PolarHBondContact O-N 3.04Å; M42-Y46 VanDerWaalsContact O-CB 3.29Å; M42-Y46 WeakPolarHBondContact O-CB 3.42Å; M42-Y46 PolarHBondContact O-N 3.41Å
43L96Very high97.2Very high68 Ų6857.3 Ų57.336%0.35630%0.298SS..Hα-helixtrans-70.7-48.3176.7177.765.8000113.2D41 L45 Y46 T47D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 2.88Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 3.49Å; L43-Y46 PolarHBondContact O-N 3Å; L43-T47 WeakPolarHBondContact O-CB 3.36Å; L43-T47 PolarHBondContact O-N 3.26Å; L43-T47 PolarHBondContact O-OG1 3.28Å
44P97.8Very high97Very high43 Ų4360 Ų6028%0.27931%0.312SS..Hα-helixtrans-53.7-39.9170-28.834.2000114E40 D41 R48 L82E40-P44 WeakPolarHBondContact O-CD 3.21Å; D41-P44 WeakPolarHBondContact O-CD 3.26Å; P44-R48 WeakPolarHBondContact O-CG 3.42Å; P44-R48 PolarHBondContact O-N 2.81Å; P44-R48 PolarHBondContact O-NH1 3.48Å; P44-L82 HydrophobicContact CB-CD1 4.16Å; P44-L82 HydrophobicContact CB-CD2 4.24Å
45L98.6Very high96.9Very high0 Ų062 Ų620%033%0.333CS..Hα-helixtrans-71-48.4-179.5-177.167.8000111.1F26 V30 V37 D41 L43 T47 R48 F49 S78 L79 L82F26-L45 HydrophobicContact CE1-CB 4.36Å; F26-L45 HydrophobicContact CE1-CD2 3.92Å; F26-L45 HydrophobicContact CE1-CG 3.96Å; F26-L45 HydrophobicContact CZ-CD2 3.88Å; F26-L45 HydrophobicContact CZ-CG 3.78Å; V30-L45 HydrophobicContact CG1-CD2 3.92Å; V30-L45 HydrophobicContact CG2-CD2 3.95Å; V37-L45 HydrophobicContact CG1-CD2 3.91Å; V37-L45 HydrophobicContact CG2-CD2 4.33Å; D41-L45 WeakPolarHBondContact O-CB 3.45Å; D41-L45 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 3.49Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 2.84Å; L45-R48 PolarHBondContact O-N 2.86Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 PolarHBondContact O-N 3.06Å; L45-S78 VanDerWaalsContact CD1-C 3.43Å; L45-S78 WeakPolarHBondContact CD1-O 3.29Å; L45-L79 HydrophobicContact CD1-CD2 3.97Å; L45-L79 HydrophobicContact CD1-CG 4.29Å; L45-L79 HydrophobicContact CD2-CD2 4.05Å; L45-L82 HydrophobicContact CB-CD1 3.68Å; L45-L82 HydrophobicContact CD1-CD1 3.91Å; L45-L82 HydrophobicContact CG-CD1 4.39Å
46Y98.2Very high97Very high13 Ų1358 Ų585%0.05131%0.307CS..Hα-helixtrans-59.3-39.8176.2-179.2-118.2000112.1Q22 Q23 F26 M42 L43 F49 R50Q22-Y46 WeakPolarHBondContact CG-OH 3.48Å; Q22-Y46 PolarHBondContact OE1-OH 2.9Å; Q23-Y46 HydrophobicContact CB-CD1 4Å; Q23-Y46 HydrophobicContact CB-CE1 4.11Å; Q23-Y46 HydrophobicContact CB-CG 4.29Å; Q23-Y46 HydrophobicContact CG-CD1 4.09Å; Q23-Y46 HydrophobicContact CG-CD2 4.46Å; Q23-Y46 HydrophobicContact CG-CG 3.96Å; F26-Y46 HydrophobicContact CB-CD2 3.72Å; F26-Y46 HydrophobicContact CB-CE2 3.99Å; F26-Y46 AromaticContact CD1-CD2 3.73Å; F26-Y46 HydrophobicContact CD1-CD2 3.73Å; F26-Y46 HydrophobicContact CD1-CG 4.2Å; F26-Y46 AromaticContact CD2-CD2 3.97Å; F26-Y46 HydrophobicContact CD2-CD2 3.97Å; F26-Y46 HydrophobicContact CE1-CD2 4.35Å; F26-Y46 AromaticContact CG-CD2 3.52Å; F26-Y46 HydrophobicContact CG-CD2 3.52Å; F26-Y46 HydrophobicContact CG-CE2 4.21Å; F26-Y46 HydrophobicContact CG-CG 4.42Å; M42-Y46 VanDerWaalsContact O-CB 3.29Å; M42-Y46 WeakPolarHBondContact O-CB 3.42Å; M42-Y46 PolarHBondContact O-N 3.41Å; L43-Y46 PolarHBondContact O-N 3Å; Y46-F49 HydrophobicContact CD2-CD1 4.48Å; Y46-F49 WeakPolarHBondContact O-CB 3.44Å; Y46-F49 PolarHBondContact O-N 3.4Å; Y46-R50 HydrophobicContact CE1-CG 4.38Å; Y46-R50 HydrophobicContact CE2-CG 4.17Å; Y46-R50 WeakPolarHBondContact O-CG 3.36Å; Y46-R50 PolarHBondContact O-N 3.36Å
47T96.5Very high97Very high73 Ų7356.8 Ų56.845%0.44830%0.295SS..Hα-helixtrans-62-46.7177.6-57.40000111.1L43 L45 F49 R50 V51L43-T47 WeakPolarHBondContact O-CB 3.36Å; L43-T47 PolarHBondContact O-N 3.26Å; L43-T47 PolarHBondContact O-OG1 3.28Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 2.84Å; T47-F49 VanDerWaalsContact C-N 3.34Å; T47-R50 PolarHBondContact O-N 2.6Å; T47-V51 WeakPolarHBondContact O-CG2 3.34Å; T47-V51 PolarHBondContact O-N 2.7Å
48R98.4Very high96.9Very high76 Ų7661.2 Ų61.229%0.28732%0.319SS..Hα-helixtrans-63.8-40.3175.5-71.7174.6175.781.9-12.7112.1P44 L45 R50 V51 H52 S78 D81 L82P44-R48 WeakPolarHBondContact O-CG 3.42Å; P44-R48 PolarHBondContact O-N 2.81Å; P44-R48 PolarHBondContact O-NH1 3.48Å; L45-R48 PolarHBondContact O-N 2.86Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.98Å; R48-V51 PolarHBondContact O-N 3.1Å; R48-V51 VanDerWaalsContact O-N 3.14Å; R48-H52 PolarHBondContact O-CD2 3.19Å; R48-H52 PolarHBondContact O-N 2.87Å; R48-S78 VanDerWaalsContact C-OG 3.28Å; R48-D81 VanDerWaalsContact CD-CB 3.45Å; R48-L82 VanDerWaalsContact NH2-CD2 3.3Å
49F98.6Very high96.9Very high3 Ų361.9 Ų61.91%0.01332%0.316CS..Hα-helixtrans-58.6-41177.1174.8-96.8000112F26 L45 Y46 T47 S53 R74 I75 S78 F95 Y99F26-F49 AromaticContact CD2-CD1 3.93Å; F26-F49 HydrophobicContact CD2-CD1 3.93Å; F26-F49 HydrophobicContact CD2-CD2 4.46Å; F26-F49 HydrophobicContact CD2-CE1 4.08Å; F26-F49 HydrophobicContact CD2-CG 4.11Å; F26-F49 HydrophobicContact CD2-CZ 4.38Å; F26-F49 HydrophobicContact CE2-CB 3.82Å; F26-F49 AromaticContact CE2-CD1 3.83Å; F26-F49 HydrophobicContact CE2-CD1 3.83Å; F26-F49 AromaticContact CE2-CD2 3.7Å; F26-F49 HydrophobicContact CE2-CD2 3.7Å; F26-F49 HydrophobicContact CE2-CE1 4.25Å; F26-F49 HydrophobicContact CE2-CE2 4.12Å; F26-F49 AromaticContact CE2-CG 3.51Å; F26-F49 HydrophobicContact CE2-CG 3.51Å; F26-F49 HydrophobicContact CE2-CZ 4.36Å; F26-F49 HydrophobicContact CZ-CB 4.08Å; F26-F49 HydrophobicContact CZ-CG 4.27Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 PolarHBondContact O-N 3.06Å; Y46-F49 HydrophobicContact CD2-CD1 4.48Å; Y46-F49 WeakPolarHBondContact O-CB 3.44Å; Y46-F49 PolarHBondContact O-N 3.4Å; T47-F49 VanDerWaalsContact C-N 3.34Å; F49-S53 WeakPolarHBondContact O-CB 3.44Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.06Å; F49-R74 HydrophobicContact CD2-CB 4.26Å; F49-R74 HydrophobicContact CD2-CG 3.86Å; F49-R74 HydrophobicContact CE2-CB 4.4Å; F49-R74 HydrophobicContact CE2-CG 3.52Å; F49-R74 VanDerWaalsContact CE2-NE 3.27Å; F49-R74 HydrophobicContact CZ-CG 4.29Å; F49-I75 HydrophobicContact CD2-CB 4.33Å; F49-I75 HydrophobicContact CD2-CD1 4.44Å; F49-I75 HydrophobicContact CE2-CB 4.3Å; F49-S78 WeakPolarHBondContact CA-OG 3.35Å; F49-S78 PolarHBondContact N-OG 2.95Å; F49-F95 AromaticContact CE2-CE1 3.79Å; F49-F95 HydrophobicContact CE2-CE1 3.79Å; F49-F95 HydrophobicContact CE2-CZ 4.36Å; F49-F95 HydrophobicContact CZ-CE1 4.19Å; F49-Y99 HydrophobicContact CE1-CD1 4.47Å; F49-Y99 AromaticContact CE1-CE1 3.71Å; F49-Y99 HydrophobicContact CE1-CE1 3.71Å; F49-Y99 HydrophobicContact CZ-CD1 4.05Å; F49-Y99 AromaticContact CZ-CE1 3.71Å; F49-Y99 HydrophobicContact CZ-CE1 3.71Å
50R96.4Very high97Very high110 Ų11058.5 Ų58.542%0.41530%0.303SS..Hα-helixtrans-67.8-45.6173.1-71.1-170.162.2-169.4-2.8112.5Y46 T47 R48 H52 S53 D54Y46-R50 HydrophobicContact CE1-CG 4.38Å; Y46-R50 HydrophobicContact CE2-CG 4.17Å; Y46-R50 WeakPolarHBondContact O-CG 3.36Å; Y46-R50 PolarHBondContact O-N 3.36Å; T47-R50 PolarHBondContact O-N 2.6Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.98Å; R50-H52 VanDerWaalsContact C-N 3.33Å; R50-H52 PolarHBondContact O-N 3.3Å; R50-S53 WeakPolarHBondContact O-CA 3.47Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 VanDerWaalsContact O-N 3.08Å; R50-D54 PolarHBondContact O-N 3Å
51V97Very high97Very high86 Ų8655.2 Ų55.252%0.52129%0.29SS..Hα-helixtrans-57.1-46.4176.1168.50000111.4T47 R48 S53 D54 A55T47-V51 WeakPolarHBondContact O-CG2 3.34Å; T47-V51 PolarHBondContact O-N 2.7Å; R48-V51 PolarHBondContact O-N 3.1Å; R48-V51 VanDerWaalsContact O-N 3.14Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.17Å; V51-D54 PolarHBondContact O-N 2.96Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 3.12Å
52H98.1Very high96.9Very high30 Ų3057.8 Ų57.814%0.13931%0.307CS..Hα-helixtrans-68-30177-75.4-62.2000112.7R48 R50 N56 R74 S78 D81R48-H52 PolarHBondContact O-CD2 3.19Å; R48-H52 PolarHBondContact O-N 2.87Å; R50-H52 VanDerWaalsContact C-N 3.33Å; R50-H52 PolarHBondContact O-N 3.3Å; H52-N56 WeakPolarHBondContact O-CB 3.46Å; H52-N56 PolarHBondContact O-N 2.84Å; H52-N56 PolarHBondContact O-ND2 3.48Å; H52-R74 HydrophobicContact CB-CB 3.8Å; H52-S78 PolarHBondContact CD2-OG 3Å; H52-D81 IonicContact CD2-OD2 3.41Å; H52-D81 IonicContact CE1-OD2 2.67Å; H52-D81 IonicContact NE2-OD2 3.32Å; H52-D81 PolarHBondContact NE2-OD2 3.05Å
53S96.3Very high96.9Very high16 Ų1666.1 Ų66.111%0.11235%0.346CS..Hα-helixtrans-65.1-54.3171.7-610000110.4F49 R50 V51 A55 N56 F57 R74F49-S53 WeakPolarHBondContact O-CB 3.44Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.06Å; R50-S53 WeakPolarHBondContact O-CA 3.47Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 VanDerWaalsContact O-N 3.08Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.17Å; S53-A55 PolarHBondContact O-N 3.46Å; S53-N56 PolarHBondContact O-N 2.97Å; S53-F57 WeakPolarHBondContact O-CB 3.35Å; S53-F57 PolarHBondContact O-N 2.86Å; S53-R74 WeakPolarHBondContact OG-CD 3.37Å; S53-R74 PolarHBondContact OG-NH1 3.25Å
54D95Very high97Very high111 Ų11168.5 Ų68.559%0.59436%0.355SS*.Hα-helixtrans-65.8-41.9-175-65.1-16.4000111.6R50 V51 N56R50-D54 PolarHBondContact O-N 3Å; V51-D54 PolarHBondContact O-N 2.96Å; D54-N56 VanDerWaalsContact C-N 3.27Å; D54-N56 PolarHBondContact O-N 3.3Å
55A95.5Very high97Very high65 Ų6568.5 Ų68.554%0.53735%0.35SS..Hα-helixtrans-64.4-30.318000000113.2V51 S53V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 3.12Å; S53-A55 PolarHBondContact O-N 3.46Å
56N97.2Very high96.9Very high17 Ų1772.6 Ų72.69%0.09138%0.375CS..Hα-helixtrans-109.6-8.5-172.3-63.1-56.2000114.1H52 S53 D54 N58 K59 W65 M70H52-N56 WeakPolarHBondContact O-CB 3.46Å; H52-N56 PolarHBondContact O-N 2.84Å; H52-N56 PolarHBondContact O-ND2 3.48Å; S53-N56 PolarHBondContact O-N 2.97Å; D54-N56 VanDerWaalsContact C-N 3.27Å; D54-N56 PolarHBondContact O-N 3.3Å; N56-N58 VanDerWaalsContact C-N 3.26Å; N56-N58 PolarHBondContact O-N 3.39Å; N56-K59 VanDerWaalsContact O-CB 3.31Å; N56-K59 WeakPolarHBondContact O-CB 3.44Å; N56-K59 PolarHBondContact O-N 3.11Å; N56-W65 HydrophobicContact CB-CE3 3.97Å; N56-W65 HydrophobicContact CB-CH2 4.36Å; N56-W65 HydrophobicContact CB-CZ3 3.53Å; N56-W65 WeakPolarHBondContact OD1-CH2 3.34Å; N56-W65 WeakPolarHBondContact OD1-CZ3 3.49Å; N56-M70 HydrophobicContact CB-CG 4.01Å
57F94.6Very high96.8Very high108 Ų10875.7 Ų75.747%0.47439%0.391SS..Hα-helixtrans-59.4-37.6-179.7-171.9-112.9000112.5S53 K59 V60 I61S53-F57 WeakPolarHBondContact O-CB 3.35Å; S53-F57 PolarHBondContact O-N 2.86Å; F57-K59 PolarHBondContact O-N 3.16Å; F57-V60 WeakPolarHBondContact O-CB 3.44Å; F57-V60 PolarHBondContact O-N 3.1Å; F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CD1-CG1 4.31Å; F57-I61 HydrophobicContact CE1-CD1 3.71Å; F57-I61 HydrophobicContact CE1-CG1 4.11Å; F57-I61 PolarHBondContact O-N 3.24Å
58N95.9Very high96.8Very high106 Ų10678 Ų7857%0.56740%0.398SS*.Hα-helixtrans-59.8-31.2175.5-77.6-29.2000112.9N56 V60 I61 T62N56-N58 VanDerWaalsContact C-N 3.26Å; N56-N58 PolarHBondContact O-N 3.39Å; N58-V60 PolarHBondContact O-N 2.86Å; N58-I61 PolarHBondContact O-N 2.83Å; N58-T62 WeakPolarHBondContact O-CG2 3.38Å; N58-T62 PolarHBondContact O-N 3.35Å; N58-T62 PolarHBondContact O-OG1 3.16Å; N58-T62 VanDerWaalsContact O-OG1 3.12Å
59K98.1Very high96.7Very high57 Ų5779.5 Ų79.525%0.24840%0.404CS..Hα-helixtrans-67.4-27.2176.3-61.7-176.4169.3-126.10112.5N56 F57 T62 Q63 E64 W65N56-K59 VanDerWaalsContact O-CB 3.31Å; N56-K59 WeakPolarHBondContact O-CB 3.44Å; N56-K59 PolarHBondContact O-N 3.11Å; F57-K59 PolarHBondContact O-N 3.16Å; K59-T62 WeakPolarHBondContact CA-OG1 3.13Å; K59-T62 PolarHBondContact O-OG1 2.88Å; K59-Q63 PolarHBondContact O-N 3.16Å; K59-E64 HydrophobicContact CB-CB 4.19Å; K59-E64 IonicContact NZ-OE1 4Å; K59-E64 PolarHBondContact NZ-OE1 3.2Å; K59-E64 IonicContact NZ-OE2 2.73Å; K59-E64 PolarHBondContact O-N 3.11Å; K59-W65 HydrophobicContact CB-CB 4.13Å; K59-W65 HydrophobicContact CB-CD2 4.07Å; K59-W65 HydrophobicContact CB-CE3 4.39Å; K59-W65 HydrophobicContact CB-CG 3.97Å; K59-W65 HydrophobicContact CD-CD2 3.68Å; K59-W65 HydrophobicContact CD-CE3 4Å; K59-W65 HydrophobicContact CD-CG 4.25Å; K59-W65 HydrophobicContact CD-CH2 4.08Å; K59-W65 HydrophobicContact CD-CZ2 3.76Å; K59-W65 HydrophobicContact CD-CZ3 4.21Å; K59-W65 PolarHBondContact O-N 3.46Å
60V97.5Very high96.7Very high32 Ų3279.7 Ų79.719%0.19441%0.405CS..Hα-helixtrans-74-42.8172.7-176.90000110.1F57 N58 T62 Q63 W65 L67 M70F57-V60 WeakPolarHBondContact O-CB 3.44Å; F57-V60 PolarHBondContact O-N 3.1Å; N58-V60 PolarHBondContact O-N 2.86Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 2.87Å; V60-Q63 PolarHBondContact O-N 2.85Å; V60-Q63 VanDerWaalsContact O-N 3.08Å; V60-W65 WeakPolarHBondContact CA-O 3.2Å; V60-L67 HydrophobicContact CG1-CB 4.13Å; V60-L67 HydrophobicContact CG1-CD1 4.44Å; V60-M70 HydrophobicContact CG2-CB 3.65Å; V60-M70 HydrophobicContact CG2-CG 3.96Å
61I95.3Very high96.7Very high103 Ų10377.6 Ų77.653%0.52840%0.397SS..Hα-helixtrans-61.1-43.4176.9-60.9175.1000111.1F57 N58 Q63F57-I61 HydrophobicContact CD1-CD1 3.84Å; F57-I61 HydrophobicContact CD1-CG1 4.31Å; F57-I61 HydrophobicContact CE1-CD1 3.71Å; F57-I61 HydrophobicContact CE1-CG1 4.11Å; F57-I61 PolarHBondContact O-N 3.24Å; N58-I61 PolarHBondContact O-N 2.83Å; I61-Q63 PolarHBondContact O-N 2.82Å
62T97.2Very high96.8Very high95 Ų9573.8 Ų73.858%0.58337%0.374SS*.THydrogen-bonded Turntrans-78.21.8177.960.50000113.5N58 K59 V60 E64N58-T62 WeakPolarHBondContact O-CG2 3.38Å; N58-T62 PolarHBondContact O-N 3.35Å; N58-T62 PolarHBondContact O-OG1 3.16Å; N58-T62 VanDerWaalsContact O-OG1 3.12Å; K59-T62 WeakPolarHBondContact CA-OG1 3.13Å; K59-T62 PolarHBondContact O-OG1 2.88Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 2.87Å; T62-E64 PolarHBondContact O-N 2.85Å
63Q96.4Very high96.7Very high176 Ų17673.9 Ų73.982%0.82237%0.374SS*.THydrogen-bonded Turntrans59.519.5-177.8-52.5175.811.600114K59 V60 I61K59-Q63 PolarHBondContact O-N 3.16Å; V60-Q63 PolarHBondContact O-N 2.85Å; V60-Q63 VanDerWaalsContact O-N 3.08Å; I61-Q63 PolarHBondContact O-N 2.82Å
64E97.9Very high96.8Very high118 Ų11874.5 Ų74.555%0.55137%0.374SS*.SBendtrans-68-42.3170.8-176.3-171.9146.900110.1K59 T62K59-E64 HydrophobicContact CB-CB 4.19Å; K59-E64 IonicContact NZ-OE1 4Å; K59-E64 PolarHBondContact NZ-OE1 3.2Å; K59-E64 IonicContact NZ-OE2 2.73Å; K59-E64 PolarHBondContact O-N 3.11Å; T62-E64 PolarHBondContact O-N 2.85Å
65W97.8Very high97Very high44 Ų4469.2 Ų69.217%0.16735%0.346CS..SBendtrans-116.9146.6177.3-70.7-0000111.2N56 K59 V60 Y69 M70 H73N56-W65 HydrophobicContact CB-CE3 3.97Å; N56-W65 HydrophobicContact CB-CH2 4.36Å; N56-W65 HydrophobicContact CB-CZ3 3.53Å; N56-W65 WeakPolarHBondContact OD1-CH2 3.34Å; N56-W65 WeakPolarHBondContact OD1-CZ3 3.49Å; K59-W65 HydrophobicContact CB-CB 4.13Å; K59-W65 HydrophobicContact CB-CD2 4.07Å; K59-W65 HydrophobicContact CB-CE3 4.39Å; K59-W65 HydrophobicContact CB-CG 3.97Å; K59-W65 HydrophobicContact CD-CD2 3.68Å; K59-W65 HydrophobicContact CD-CE3 4Å; K59-W65 HydrophobicContact CD-CG 4.25Å; K59-W65 HydrophobicContact CD-CH2 4.08Å; K59-W65 HydrophobicContact CD-CZ2 3.76Å; K59-W65 HydrophobicContact CD-CZ3 4.21Å; K59-W65 PolarHBondContact O-N 3.46Å; V60-W65 WeakPolarHBondContact CA-O 3.2Å; W65-Y69 HydrophobicContact CB-CD1 4.04Å; W65-Y69 AromaticContact CD2-CD1 3.45Å; W65-Y69 HydrophobicContact CD2-CD1 3.45Å; W65-Y69 VanDerWaalsContact CD2-CD1 3.45Å; W65-Y69 AromaticContact CD2-CE1 3.49Å; W65-Y69 HydrophobicContact CD2-CE1 3.49Å; W65-Y69 VanDerWaalsContact CD2-CE1 3.49Å; W65-Y69 AromaticContact CE2-CD1 3.9Å; W65-Y69 AromaticContact CE2-CE1 3.43Å; W65-Y69 VanDerWaalsContact CE2-CE1 3.43Å; W65-Y69 AromaticContact CE3-CD1 3.68Å; W65-Y69 HydrophobicContact CE3-CD1 3.68Å; W65-Y69 AromaticContact CE3-CE1 3.76Å; W65-Y69 HydrophobicContact CE3-CE1 3.76Å; W65-Y69 AromaticContact CG-CD1 3.61Å; W65-Y69 HydrophobicContact CG-CD1 3.61Å; W65-Y69 AromaticContact CG-CE1 3.99Å; W65-Y69 HydrophobicContact CG-CE1 3.99Å; W65-Y69 AromaticContact CH2-CE1 3.96Å; W65-Y69 HydrophobicContact CH2-CE1 3.96Å; W65-Y69 AromaticContact CZ2-CE1 3.7Å; W65-Y69 HydrophobicContact CZ2-CE1 3.7Å; W65-Y69 HydrophobicContact CZ3-CD1 4.28Å; W65-Y69 AromaticContact CZ3-CE1 3.96Å; W65-Y69 HydrophobicContact CZ3-CE1 3.96Å; W65-Y69 AromaticContact NE1-CE1 3.84Å; W65-M70 HydrophobicContact CE3-CB 4.19Å; W65-M70 HydrophobicContact CE3-CG 4.42Å; W65-H73 AromaticContact CH2-CD2 3.77Å; W65-H73 AromaticContact CH2-CE1 3.7Å; W65-H73 AromaticContact CH2-CG 3.86Å; W65-H73 AromaticContact CH2-ND1 3.81Å; W65-H73 AromaticContact CH2-NE2 3.66Å; W65-H73 HydrophobicContact CZ3-CB 4.16Å; W65-H73 AromaticContact CZ3-CD2 3.7Å; W65-H73 AromaticContact CZ3-CG 3.76Å
66T97.5Very high97.1Very high86 Ų8666.7 Ų66.753%0.52832%0.324SS..  trans-71.7154.2164.865.80000109.7E68 Y69 M70T66-E68 PolarHBondContact O-N 2.87Å; T66-Y69 PolarHBondContact O-N 2.79Å; T66-Y69 VanDerWaalsContact OG1-CB 3.27Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.1Å; T66-Y69 PolarHBondContact OG1-N 2.67Å; T66-M70 PolarHBondContact O-N 3.22Å
67L95.3Very high97.2Very high77 Ų7768.4 Ų68.440%0.40333%0.332SS..Hα-helixtrans-58.3-39.3172.8178.961.4000111.2V60 M70 R71V60-L67 HydrophobicContact CG1-CB 4.13Å; V60-L67 HydrophobicContact CG1-CD1 4.44Å; L67-M70 HydrophobicContact CD1-CE 3.78Å; L67-M70 PolarHBondContact O-N 3.35Å; L67-R71 HydrophobicContact CD1-CG 4.44Å; L67-R71 WeakPolarHBondContact O-CB 3.25Å; L67-R71 WeakPolarHBondContact O-CD 3.46Å; L67-R71 VanDerWaalsContact O-CG 3.25Å; L67-R71 WeakPolarHBondContact O-CG 3.25Å; L67-R71 PolarHBondContact O-N 3.08Å
68E97Very high97.4Very high123 Ų12363.2 Ų63.258%0.57531%0.309SS*.Hα-helixtrans-57.9-49.9175.4-171.8-179.199.800111.8T66 M70 R71 S72 L93T66-E68 PolarHBondContact O-N 2.87Å; E68-M70 PolarHBondContact O-N 3.42Å; E68-R71 WeakPolarHBondContact O-CB 3.42Å; E68-R71 PolarHBondContact O-N 2.94Å; E68-S72 PolarHBondContact O-N 3.02Å; E68-L93 HydrophobicContact CG-CD1 4.09Å; E68-L93 HydrophobicContact CG-CD2 3.49Å; E68-L93 VanDerWaalsContact CG-CD2 3.49Å; E68-L93 HydrophobicContact CG-CG 4.41Å
69Y97.2Very high97.5Very high106 Ų10658.3 Ų58.342%0.41628%0.283SS..Hα-helixtrans-63.1-43.5178.5-179.8-98.3000111.9W65 T66 R71 S72 H73W65-Y69 HydrophobicContact CB-CD1 4.04Å; W65-Y69 AromaticContact CD2-CD1 3.45Å; W65-Y69 HydrophobicContact CD2-CD1 3.45Å; W65-Y69 VanDerWaalsContact CD2-CD1 3.45Å; W65-Y69 AromaticContact CD2-CE1 3.49Å; W65-Y69 HydrophobicContact CD2-CE1 3.49Å; W65-Y69 VanDerWaalsContact CD2-CE1 3.49Å; W65-Y69 AromaticContact CE2-CD1 3.9Å; W65-Y69 AromaticContact CE2-CE1 3.43Å; W65-Y69 VanDerWaalsContact CE2-CE1 3.43Å; W65-Y69 AromaticContact CE3-CD1 3.68Å; W65-Y69 HydrophobicContact CE3-CD1 3.68Å; W65-Y69 AromaticContact CE3-CE1 3.76Å; W65-Y69 HydrophobicContact CE3-CE1 3.76Å; W65-Y69 AromaticContact CG-CD1 3.61Å; W65-Y69 HydrophobicContact CG-CD1 3.61Å; W65-Y69 AromaticContact CG-CE1 3.99Å; W65-Y69 HydrophobicContact CG-CE1 3.99Å; W65-Y69 AromaticContact CH2-CE1 3.96Å; W65-Y69 HydrophobicContact CH2-CE1 3.96Å; W65-Y69 AromaticContact CZ2-CE1 3.7Å; W65-Y69 HydrophobicContact CZ2-CE1 3.7Å; W65-Y69 HydrophobicContact CZ3-CD1 4.28Å; W65-Y69 AromaticContact CZ3-CE1 3.96Å; W65-Y69 HydrophobicContact CZ3-CE1 3.96Å; W65-Y69 AromaticContact NE1-CE1 3.84Å; T66-Y69 PolarHBondContact O-N 2.79Å; T66-Y69 VanDerWaalsContact OG1-CB 3.27Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.1Å; T66-Y69 PolarHBondContact OG1-N 2.67Å; Y69-R71 VanDerWaalsContact C-N 3.3Å; Y69-R71 PolarHBondContact O-N 3.41Å; Y69-S72 PolarHBondContact O-N 2.99Å; Y69-H73 HydrophobicContact CE1-CB 4.33Å; Y69-H73 WeakPolarHBondContact O-CB 3.47Å; Y69-H73 PolarHBondContact O-N 2.84Å
70M97.4Very high97.5Very high7 Ų761.8 Ų61.83%0.03430%0.298CS..Hα-helixtrans-59.6-42.5176.4-174.9-79.2-66.800111.5N56 V60 W65 T66 L67 E68 H73 R74N56-M70 HydrophobicContact CB-CG 4.01Å; V60-M70 HydrophobicContact CG2-CB 3.65Å; V60-M70 HydrophobicContact CG2-CG 3.96Å; W65-M70 HydrophobicContact CE3-CB 4.19Å; W65-M70 HydrophobicContact CE3-CG 4.42Å; T66-M70 PolarHBondContact O-N 3.22Å; L67-M70 HydrophobicContact CD1-CE 3.78Å; L67-M70 PolarHBondContact O-N 3.35Å; E68-M70 PolarHBondContact O-N 3.42Å; M70-H73 PolarHBondContact O-N 2.81Å; M70-R74 WeakPolarHBondContact O-CG 3.49Å; M70-R74 PolarHBondContact O-N 3.21Å; M70-R74 HydrophobicContact SD-CG 4.42Å
71R97.1Very high97.6Very high67 Ų6763.7 Ų63.725%0.25331%0.307SS..Hα-helixtrans-63.3-43.7177.8-75.1160.2166.8-143.4-7.6112.2L67 E68 Y69 R74 Q96 E100L67-R71 HydrophobicContact CD1-CG 4.44Å; L67-R71 WeakPolarHBondContact O-CB 3.25Å; L67-R71 WeakPolarHBondContact O-CD 3.46Å; L67-R71 VanDerWaalsContact O-CG 3.25Å; L67-R71 WeakPolarHBondContact O-CG 3.25Å; L67-R71 PolarHBondContact O-N 3.08Å; E68-R71 WeakPolarHBondContact O-CB 3.42Å; E68-R71 PolarHBondContact O-N 2.94Å; Y69-R71 VanDerWaalsContact C-N 3.3Å; Y69-R71 PolarHBondContact O-N 3.41Å; R71-R74 VanDerWaalsContact O-CG 3.25Å; R71-R74 WeakPolarHBondContact O-CG 3.32Å; R71-Q96 HydrophobicContact CB-CG 4.22Å; R71-Q96 HydrophobicContact CG-CG 4.16Å; R71-E100 IonicContact CZ-OE1 3.69Å; R71-E100 IonicContact NE-OE1 3.55Å; R71-E100 IonicContact NH1-OE1 3.26Å; R71-E100 PolarHBondContact NH1-OE1 2.99Å; R71-E100 IonicContact NH1-OE2 3.97Å; R71-E100 IonicContact NH2-OE1 2.64Å; R71-E100 PolarHBondContact NH2-OE1 2.87Å
72S97.9Very high97.7Very high5 Ų560.1 Ų60.14%0.03529%0.289CS..Hα-helixtrans-62.5-48.7172.3173.20000111.1E68 Y69 R74 I75 S76 D89 A92E68-S72 PolarHBondContact O-N 3.02Å; Y69-S72 PolarHBondContact O-N 2.99Å; S72-R74 PolarHBondContact O-N 2.91Å; S72-I75 VanDerWaalsContact O-CG2 3.32Å; S72-I75 WeakPolarHBondContact O-CG2 3.21Å; S72-I75 PolarHBondContact O-N 3.48Å; S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 3.14Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 2.9Å; S72-S76 VanDerWaalsContact O-OG 3.05Å; S72-D89 PolarHBondContact OG-OD1 2.79Å; S72-A92 WeakPolarHBondContact OG-CB 3.45Å
73H97.5Very high97.7Very high33 Ų3363.2 Ų63.215%0.15330%0.302CS..Hα-helixtrans-58.4-46.4-175.3-177.691.5000112.8W65 Y69 M70 I75 S76 Q77W65-H73 AromaticContact CH2-CD2 3.77Å; W65-H73 AromaticContact CH2-CE1 3.7Å; W65-H73 AromaticContact CH2-CG 3.86Å; W65-H73 AromaticContact CH2-ND1 3.81Å; W65-H73 AromaticContact CH2-NE2 3.66Å; W65-H73 HydrophobicContact CZ3-CB 4.16Å; W65-H73 AromaticContact CZ3-CD2 3.7Å; W65-H73 AromaticContact CZ3-CG 3.76Å; Y69-H73 HydrophobicContact CE1-CB 4.33Å; Y69-H73 WeakPolarHBondContact O-CB 3.47Å; Y69-H73 PolarHBondContact O-N 2.84Å; M70-H73 PolarHBondContact O-N 2.81Å; H73-I75 PolarHBondContact O-N 2.89Å; H73-S76 PolarHBondContact O-N 2.85Å; H73-Q77 VanDerWaalsContact CE1-CG 3.44Å; H73-Q77 WeakPolarHBondContact CE1-CG 3.27Å; H73-Q77 VanDerWaalsContact NE2-CG 3.34Å; H73-Q77 WeakPolarHBondContact NE2-CG 3.25Å; H73-Q77 WeakPolarHBondContact O-CB 3.19Å; H73-Q77 WeakPolarHBondContact O-CG 3.48Å; H73-Q77 PolarHBondContact O-N 3.4Å
74R98Very high97.8Very high29 Ų2956.6 Ų56.611%0.10927%0.27CS..Hα-helixtrans-63.5-39.7-174.361.7175.2177.9-179.33.5113.3F49 H52 S53 M70 R71 S72 S78F49-R74 HydrophobicContact CD2-CB 4.26Å; F49-R74 HydrophobicContact CD2-CG 3.86Å; F49-R74 HydrophobicContact CE2-CB 4.4Å; F49-R74 HydrophobicContact CE2-CG 3.52Å; F49-R74 VanDerWaalsContact CE2-NE 3.27Å; F49-R74 HydrophobicContact CZ-CG 4.29Å; H52-R74 HydrophobicContact CB-CB 3.8Å; S53-R74 WeakPolarHBondContact OG-CD 3.37Å; S53-R74 PolarHBondContact OG-NH1 3.25Å; M70-R74 WeakPolarHBondContact O-CG 3.49Å; M70-R74 PolarHBondContact O-N 3.21Å; M70-R74 HydrophobicContact SD-CG 4.42Å; R71-R74 VanDerWaalsContact O-CG 3.25Å; R71-R74 WeakPolarHBondContact O-CG 3.32Å; S72-R74 PolarHBondContact O-N 2.91Å; R74-S78 VanDerWaalsContact O-CB 3.28Å; R74-S78 WeakPolarHBondContact O-CB 3.47Å; R74-S78 PolarHBondContact O-N 3.34Å; R74-S78 PolarHBondContact O-OG 2.68Å
75I98.5Very high97.7Very high0 Ų054.9 Ų54.90%027%0.268CS..Hα-helixtrans-76.6-43178.6-177.160.7000110.3F26 F34 F49 S72 H73 Q77 S78 L79 I87 A92 F95F26-I75 HydrophobicContact CE2-CD1 4.2Å; F26-I75 HydrophobicContact CZ-CD1 4.24Å; F34-I75 HydrophobicContact CE2-CD1 4.12Å; F34-I75 HydrophobicContact CE2-CG1 3.81Å; F34-I75 HydrophobicContact CZ-CG1 4.41Å; F49-I75 HydrophobicContact CD2-CB 4.33Å; F49-I75 HydrophobicContact CD2-CD1 4.44Å; F49-I75 HydrophobicContact CE2-CB 4.3Å; S72-I75 VanDerWaalsContact O-CG2 3.32Å; S72-I75 WeakPolarHBondContact O-CG2 3.21Å; S72-I75 PolarHBondContact O-N 3.48Å; H73-I75 PolarHBondContact O-N 2.89Å; I75-Q77 PolarHBondContact O-N 3.44Å; I75-S78 PolarHBondContact O-N 2.9Å; I75-L79 HydrophobicContact CD1-CD1 4.38Å; I75-L79 HydrophobicContact CD1-CG 4.29Å; I75-L79 HydrophobicContact CG1-CD1 4.19Å; I75-L79 WeakPolarHBondContact O-CG 3.27Å; I75-L79 PolarHBondContact O-N 3.49Å; I75-I87 HydrophobicContact CG1-CD1 4.25Å; I75-I87 HydrophobicContact CG2-CD1 4.07Å; I75-A92 HydrophobicContact CG2-CB 3.75Å; I75-F95 HydrophobicContact CB-CD1 3.9Å; I75-F95 HydrophobicContact CB-CE1 3.99Å; I75-F95 HydrophobicContact CD1-CD1 4.28Å; I75-F95 HydrophobicContact CD1-CD2 4.48Å; I75-F95 HydrophobicContact CD1-CE1 3.97Å; I75-F95 HydrophobicContact CD1-CE2 4.17Å; I75-F95 HydrophobicContact CD1-CZ 3.92Å; I75-F95 HydrophobicContact CG1-CD1 3.74Å; I75-F95 HydrophobicContact CG1-CD2 4.39Å; I75-F95 HydrophobicContact CG1-CE1 3.89Å; I75-F95 HydrophobicContact CG1-CG 4.02Å; I75-F95 HydrophobicContact CG1-CZ 4.29Å; I75-F95 HydrophobicContact CG2-CD1 3.97Å
76S98.4Very high97.6Very high12 Ų1260.8 Ų60.88%0.08430%0.298CS..Hα-helixtrans-60.2-44.6178.5-670000112.9S72 H73 K80 I87S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 3.14Å; S72-S76 VanDerWaalsContact O-N 3.1Å; S72-S76 PolarHBondContact O-OG 2.9Å; S72-S76 VanDerWaalsContact O-OG 3.05Å; H73-S76 PolarHBondContact O-N 2.85Å; S76-K80 WeakPolarHBondContact O-CB 3.31Å; S76-K80 PolarHBondContact O-N 3.19Å; S76-K80 VanDerWaalsContact O-N 3.16Å; S76-I87 WeakPolarHBondContact OG-CG1 3.31Å
77Q98.4Very high97.7Very high52 Ų5257.1 Ų57.124%0.24328%0.275CS..Hα-helixtrans-70.4-37.3175.3-67.3-47.3-64.600112.1H73 I75 L79 K80 D81H73-Q77 VanDerWaalsContact CE1-CG 3.44Å; H73-Q77 WeakPolarHBondContact CE1-CG 3.27Å; H73-Q77 VanDerWaalsContact NE2-CG 3.34Å; H73-Q77 WeakPolarHBondContact NE2-CG 3.25Å; H73-Q77 WeakPolarHBondContact O-CB 3.19Å; H73-Q77 WeakPolarHBondContact O-CG 3.48Å; H73-Q77 PolarHBondContact O-N 3.4Å; I75-Q77 PolarHBondContact O-N 3.44Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.02Å; Q77-K80 PolarHBondContact O-N 2.9Å; Q77-D81 WeakPolarHBondContact O-CB 3.46Å; Q77-D81 PolarHBondContact O-N 2.91Å
78S98.6Very high97.7Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-63-39.9179.3-59.80000112.5L45 R48 F49 H52 R74 I75L45-S78 VanDerWaalsContact CD1-C 3.43Å; L45-S78 WeakPolarHBondContact CD1-O 3.29Å; R48-S78 VanDerWaalsContact C-OG 3.28Å; F49-S78 WeakPolarHBondContact CA-OG 3.35Å; F49-S78 PolarHBondContact N-OG 2.95Å; H52-S78 PolarHBondContact CD2-OG 3Å; R74-S78 VanDerWaalsContact O-CB 3.28Å; R74-S78 WeakPolarHBondContact O-CB 3.47Å; R74-S78 PolarHBondContact O-N 3.34Å; R74-S78 PolarHBondContact O-OG 2.68Å; I75-S78 PolarHBondContact O-N 2.9Å
79L98.7Very high97.6Very high3 Ų355.8 Ų55.82%0.01627%0.274CS..Hα-helixtrans-65.3-46.3173.8-71.9170000111.1F34 V37 L45 I75 Q77 D81 L82 D83 Y84 I87F34-L79 HydrophobicContact CD2-CD1 4.06Å; F34-L79 HydrophobicContact CD2-CD2 4.45Å; F34-L79 HydrophobicContact CE2-CD1 4.04Å; F34-L79 HydrophobicContact CG-CD1 4.33Å; F34-L79 HydrophobicContact CZ-CD1 4.3Å; V37-L79 HydrophobicContact CG2-CD2 3.79Å; L45-L79 HydrophobicContact CD1-CD2 3.97Å; L45-L79 HydrophobicContact CD1-CG 4.29Å; L45-L79 HydrophobicContact CD2-CD2 4.05Å; I75-L79 HydrophobicContact CD1-CD1 4.38Å; I75-L79 HydrophobicContact CD1-CG 4.29Å; I75-L79 HydrophobicContact CG1-CD1 4.19Å; I75-L79 WeakPolarHBondContact O-CG 3.27Å; I75-L79 PolarHBondContact O-N 3.49Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.02Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3.26Å; L79-L82 CarbonylContact O-C 3.46Å; L79-L82 PolarHBondContact O-N 3.29Å; L79-L82 VanDerWaalsContact O-N 3.1Å; L79-D83 PolarHBondContact O-N 3.45Å; L79-Y84 HydrophobicContact CD2-CD2 4.31Å; L79-Y84 HydrophobicContact CD2-CG 4.25Å; L79-Y84 WeakPolarHBondContact O-CB 3.33Å; L79-Y84 PolarHBondContact O-N 3.24Å; L79-I87 HydrophobicContact CD1-CD1 3.83Å; L79-I87 HydrophobicContact CD1-CG1 4.23Å; L79-I87 HydrophobicContact CD1-CG2 3.84Å
80K98.3Very high97.6Very high130 Ų13058 Ų5857%0.56529%0.289SS*.Hα-helixtrans-59.8-41.1178-179.5-173.3170.6-1670112.8S76 Q77 L82 D83S76-K80 WeakPolarHBondContact O-CB 3.31Å; S76-K80 PolarHBondContact O-N 3.19Å; S76-K80 VanDerWaalsContact O-N 3.16Å; Q77-K80 PolarHBondContact O-N 2.9Å; K80-L82 PolarHBondContact O-N 3.18Å; K80-L82 VanDerWaalsContact O-N 3.12Å; K80-D83 PolarHBondContact O-N 2.68Å
81D98.5Very high97.6Very high72 Ų7261.9 Ų61.939%0.38531%0.307SS..THydrogen-bonded Turntrans-65.5-10.1178.6-72.3-14.8000113.8R48 H52 Q77 L79R48-D81 VanDerWaalsContact CD-CB 3.45Å; H52-D81 IonicContact CD2-OD2 3.41Å; H52-D81 IonicContact CE1-OD2 2.67Å; H52-D81 IonicContact NE2-OD2 3.32Å; H52-D81 PolarHBondContact NE2-OD2 3.05Å; Q77-D81 WeakPolarHBondContact O-CB 3.46Å; Q77-D81 PolarHBondContact O-N 2.91Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3.26Å
82L98.2Very high97.7Very high28 Ų2858.7 Ų58.715%0.14730%0.295CS..THydrogen-bonded Turntrans-11817.6175.6-75.5172.6000111.8D41 P44 L45 R48 L79 K80 Y84D41-L82 HydrophobicContact CB-CD1 4.38Å; P44-L82 HydrophobicContact CB-CD1 4.16Å; P44-L82 HydrophobicContact CB-CD2 4.24Å; L45-L82 HydrophobicContact CB-CD1 3.68Å; L45-L82 HydrophobicContact CD1-CD1 3.91Å; L45-L82 HydrophobicContact CG-CD1 4.39Å; R48-L82 VanDerWaalsContact NH2-CD2 3.3Å; L79-L82 CarbonylContact O-C 3.46Å; L79-L82 PolarHBondContact O-N 3.29Å; L79-L82 VanDerWaalsContact O-N 3.1Å; K80-L82 PolarHBondContact O-N 3.18Å; K80-L82 VanDerWaalsContact O-N 3.12Å; L82-Y84 HydrophobicContact CB-CD2 3.63Å; L82-Y84 HydrophobicContact CB-CE2 3.83Å; L82-Y84 HydrophobicContact CD1-CE2 4.47Å; L82-Y84 PolarHBondContact O-N 3.08Å; L82-Y84 VanDerWaalsContact O-N 3.14Å
83D97.8Very high97.6Very high159 Ų15961 Ų6185%0.8531%0.306SS*.THydrogen-bonded Turntrans59.223.2177.5-58.7-55.7000114.6L79 K80L79-D83 PolarHBondContact O-N 3.45Å; K80-D83 PolarHBondContact O-N 2.68Å
84Y98.3Very high97.6Very high38 Ų3862 Ų6215%0.14932%0.315CS..PPolyproline II helixtrans-77156.8171.2-74.7-72.5000111.9L36 V37 S38 D41 L79 L82L36-Y84 WeakPolarHBondContact O-CE1 3.49Å; V37-Y84 HydrophobicContact CB-CE1 4.27Å; V37-Y84 HydrophobicContact CG1-CE2 4.21Å; V37-Y84 HydrophobicContact CG2-CD1 4.04Å; V37-Y84 HydrophobicContact CG2-CD2 4.28Å; V37-Y84 HydrophobicContact CG2-CE1 4.02Å; V37-Y84 HydrophobicContact CG2-CE2 4.27Å; V37-Y84 HydrophobicContact CG2-CG 4.18Å; S38-Y84 PolarHBondContact N-OH 3.3Å; D41-Y84 HydrophobicContact CB-CE2 4.08Å; D41-Y84 PolarHBondContact OD2-OH 3.12Å; L79-Y84 HydrophobicContact CD2-CD2 4.31Å; L79-Y84 HydrophobicContact CD2-CG 4.25Å; L79-Y84 WeakPolarHBondContact O-CB 3.33Å; L79-Y84 PolarHBondContact O-N 3.24Å; L82-Y84 HydrophobicContact CB-CD2 3.63Å; L82-Y84 HydrophobicContact CB-CE2 3.83Å; L82-Y84 HydrophobicContact CD1-CE2 4.47Å; L82-Y84 PolarHBondContact O-N 3.08Å; L82-Y84 VanDerWaalsContact O-N 3.14Å
85P96.1Very high97.7Very high81 Ų8160.6 Ų60.653%0.52631%0.309SS..PPolyproline II helixtrans-54.1145.7179.2-26.835.5000113.2L36L36-P85 HydrophobicContact CD1-CG 4.25Å
86H96Very high97.6Very high168 Ų16861 Ų6178%0.77831%0.311SS*.PPolyproline II helixtrans-63138.8171.4179.660.5000110.5
87I97.6Very high97.6Very high10 Ų1066.9 Ų66.95%0.05134%0.337CS..  trans-111.3150.2174.665.4170.4000109.9F34 I75 S76 L79 E91 A92F34-I87 HydrophobicContact CD1-CG2 4.09Å; F34-I87 HydrophobicContact CE1-CB 4.43Å; F34-I87 HydrophobicContact CE1-CD1 4.1Å; F34-I87 HydrophobicContact CE1-CG2 3.67Å; F34-I87 HydrophobicContact CE2-CD1 4.39Å; F34-I87 HydrophobicContact CZ-CD1 3.64Å; F34-I87 HydrophobicContact CZ-CG2 4.27Å; I75-I87 HydrophobicContact CG1-CD1 4.25Å; I75-I87 HydrophobicContact CG2-CD1 4.07Å; S76-I87 WeakPolarHBondContact OG-CG1 3.31Å; L79-I87 HydrophobicContact CD1-CD1 3.83Å; L79-I87 HydrophobicContact CD1-CG1 4.23Å; L79-I87 HydrophobicContact CD1-CG2 3.84Å; I87-E91 WeakPolarHBondContact CA-OE2 3.45Å; I87-E91 HydrophobicContact CB-CB 4.09Å; I87-A92 HydrophobicContact CD1-CB 3.74Å; I87-A92 HydrophobicContact CG1-CB 4.41Å
88T96.9Very high97.7Very high70 Ų7065.3 Ų65.343%0.42933%0.331SS..  trans-72.4160.6172.560.90000111.3E90 E91 A92T88-E90 PolarHBondContact O-N 3.38Å; T88-E91 PolarHBondContact N-OE2 3.03Å; T88-E91 PolarHBondContact O-N 3.02Å; T88-E91 VanDerWaalsContact OG1-CG 3.31Å; T88-E91 WeakPolarHBondContact OG1-CG 3.34Å; T88-E91 PolarHBondContact OG1-N 3.19Å; T88-E91 PolarHBondContact OG1-OE2 3.29Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.35Å
89D94.6Very high97.7Very high101 Ų10166.3 Ų66.354%0.5434%0.335SS..Hα-helixtrans-59.4-35.3172.5-72.6-39.8000111.7S72 A92 L93S72-D89 PolarHBondContact OG-OD1 2.79Å; D89-A92 PolarHBondContact O-N 2.88Å; D89-L93 VanDerWaalsContact O-CG 3.27Å; D89-L93 WeakPolarHBondContact O-CG 3.5Å; D89-L93 PolarHBondContact O-N 3.17Å
90E96.5Very high97.6Very high153 Ų15369.3 Ų69.372%0.71535%0.349SS*.Hα-helixtrans-63-44.6176.2-174.7177.7178.200111.9T88 A92 L93 T94T88-E90 PolarHBondContact O-N 3.38Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 2.83Å; E90-L93 PolarHBondContact O-N 2.94Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.49Å; E90-T94 PolarHBondContact O-OG1 3Å
91E98.1Very high97.6Very high89 Ų8966 Ų6642%0.41635%0.346SS..Hα-helixtrans-64.1-38174.4-73.9164.4136.700111.7I87 T88 T94 F95I87-E91 WeakPolarHBondContact CA-OE2 3.45Å; I87-E91 HydrophobicContact CB-CB 4.09Å; T88-E91 PolarHBondContact N-OE2 3.03Å; T88-E91 PolarHBondContact O-N 3.02Å; T88-E91 VanDerWaalsContact OG1-CG 3.31Å; T88-E91 WeakPolarHBondContact OG1-CG 3.34Å; T88-E91 PolarHBondContact OG1-N 3.19Å; T88-E91 PolarHBondContact OG1-OE2 3.29Å; E91-T94 PolarHBondContact O-N 2.94Å; E91-F95 WeakPolarHBondContact O-CB 3.13Å; E91-F95 PolarHBondContact O-N 3.11Å
92A98.4Very high97.6Very high0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-68.7-37.1178.600000112.4S72 I75 I87 T88 D89 E90 F95 Q96S72-A92 WeakPolarHBondContact OG-CB 3.45Å; I75-A92 HydrophobicContact CG2-CB 3.75Å; I87-A92 HydrophobicContact CD1-CB 3.74Å; I87-A92 HydrophobicContact CG1-CB 4.41Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.35Å; D89-A92 PolarHBondContact O-N 2.88Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 2.83Å; A92-F95 WeakPolarHBondContact O-CB 3.4Å; A92-F95 PolarHBondContact O-N 3.03Å; A92-Q96 PolarHBondContact O-N 2.84Å
93L96.1Very high97.5Very high52 Ų5265.5 Ų65.527%0.27234%0.342SS..Hα-helixtrans-71.1-40.5173.3-66.8177.6000111.9E68 D89 E90 F95 Q96 E97E68-L93 HydrophobicContact CG-CD1 4.09Å; E68-L93 HydrophobicContact CG-CD2 3.49Å; E68-L93 VanDerWaalsContact CG-CD2 3.49Å; E68-L93 HydrophobicContact CG-CG 4.41Å; D89-L93 VanDerWaalsContact O-CG 3.27Å; D89-L93 WeakPolarHBondContact O-CG 3.5Å; D89-L93 PolarHBondContact O-N 3.17Å; E90-L93 PolarHBondContact O-N 2.94Å; L93-F95 PolarHBondContact O-N 2.98Å; L93-Q96 WeakPolarHBondContact O-CA 3.45Å; L93-Q96 WeakPolarHBondContact O-CB 3.28Å; L93-Q96 PolarHBondContact O-N 2.72Å; L93-E97 PolarHBondContact O-N 2.66Å
94T98.4Very high97.5Very high54 Ų5462.3 Ų62.333%0.33133%0.325SS..Hα-helixtrans-58.4-41.1172-56.30000110.7L33 E90 E91 Q96 E97 V98L33-T94 HydrophobicContact CD1-CG2 4.15Å; L33-T94 HydrophobicContact CD2-CG2 3.98Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.49Å; E90-T94 PolarHBondContact O-OG1 3Å; E91-T94 PolarHBondContact O-N 2.94Å; T94-Q96 VanDerWaalsContact C-N 3.34Å; T94-Q96 PolarHBondContact O-N 3.2Å; T94-E97 PolarHBondContact O-N 3.15Å; T94-V98 WeakPolarHBondContact O-CG2 3.2Å; T94-V98 PolarHBondContact O-N 2.83Å; T94-V98 VanDerWaalsContact O-N 3.08Å
95F98.7Very high97.4Very high0 Ų063.1 Ų63.10%034%0.339CS..Hα-helixtrans-59.4-44.2172.2167.7-90.4000112.5F26 A29 V30 L33 F34 F49 I75 E91 A92 L93 E97 V98 Y99F26-F95 HydrophobicContact CD2-CE2 4.44Å; F26-F95 AromaticContact CD2-CZ 3.67Å; F26-F95 HydrophobicContact CD2-CZ 3.67Å; F26-F95 HydrophobicContact CE2-CE1 4.36Å; F26-F95 HydrophobicContact CE2-CE2 4.27Å; F26-F95 AromaticContact CE2-CZ 3.52Å; F26-F95 HydrophobicContact CE2-CZ 3.52Å; F26-F95 HydrophobicContact CZ-CZ 4.45Å; A29-F95 HydrophobicContact CB-CD2 3.9Å; A29-F95 HydrophobicContact CB-CE2 3.54Å; A29-F95 HydrophobicContact CB-CZ 4.32Å; V30-F95 HydrophobicContact CG2-CE2 3.69Å; V30-F95 HydrophobicContact CG2-CZ 4.37Å; L33-F95 HydrophobicContact CD1-CB 3.75Å; L33-F95 HydrophobicContact CD1-CD2 4.38Å; F34-F95 HydrophobicContact CD2-CD2 4.34Å; F34-F95 HydrophobicContact CE2-CB 3.98Å; F34-F95 AromaticContact CE2-CD2 3.59Å; F34-F95 HydrophobicContact CE2-CD2 3.59Å; F34-F95 HydrophobicContact CE2-CE2 4.36Å; F34-F95 AromaticContact CE2-CG 3.89Å; F34-F95 HydrophobicContact CE2-CG 3.89Å; F34-F95 HydrophobicContact CZ-CB 3.88Å; F34-F95 HydrophobicContact CZ-CD2 4.33Å; F34-F95 HydrophobicContact CZ-CG 4.3Å; F49-F95 AromaticContact CE2-CE1 3.79Å; F49-F95 HydrophobicContact CE2-CE1 3.79Å; F49-F95 HydrophobicContact CE2-CZ 4.36Å; F49-F95 HydrophobicContact CZ-CE1 4.19Å; I75-F95 HydrophobicContact CB-CD1 3.9Å; I75-F95 HydrophobicContact CB-CE1 3.99Å; I75-F95 HydrophobicContact CD1-CD1 4.28Å; I75-F95 HydrophobicContact CD1-CD2 4.48Å; I75-F95 HydrophobicContact CD1-CE1 3.97Å; I75-F95 HydrophobicContact CD1-CE2 4.17Å; I75-F95 HydrophobicContact CD1-CZ 3.92Å; I75-F95 HydrophobicContact CG1-CD1 3.74Å; I75-F95 HydrophobicContact CG1-CD2 4.39Å; I75-F95 HydrophobicContact CG1-CE1 3.89Å; I75-F95 HydrophobicContact CG1-CG 4.02Å; I75-F95 HydrophobicContact CG1-CZ 4.29Å; I75-F95 HydrophobicContact CG2-CD1 3.97Å; E91-F95 WeakPolarHBondContact O-CB 3.13Å; E91-F95 PolarHBondContact O-N 3.11Å; A92-F95 WeakPolarHBondContact O-CB 3.4Å; A92-F95 PolarHBondContact O-N 3.03Å; L93-F95 PolarHBondContact O-N 2.98Å; F95-E97 PolarHBondContact O-N 3.34Å; F95-V98 PolarHBondContact O-N 3.41Å; F95-Y99 HydrophobicContact CE1-CD1 4.48Å; F95-Y99 HydrophobicContact CZ-CG 4.38Å; F95-Y99 VanDerWaalsContact O-CB 3.27Å; F95-Y99 WeakPolarHBondContact O-CB 3.45Å; F95-Y99 PolarHBondContact O-N 3.08Å
96Q98.3Very high97.5Very high9 Ų959.8 Ų59.84%0.04232%0.317CS..Hα-helixtrans-61.9-42.8178.8-176.960.835.600112.3R71 A92 L93 T94 Y99 E100R71-Q96 HydrophobicContact CB-CG 4.22Å; R71-Q96 HydrophobicContact CG-CG 4.16Å; A92-Q96 PolarHBondContact O-N 2.84Å; L93-Q96 WeakPolarHBondContact O-CA 3.45Å; L93-Q96 WeakPolarHBondContact O-CB 3.28Å; L93-Q96 PolarHBondContact O-N 2.72Å; T94-Q96 VanDerWaalsContact C-N 3.34Å; T94-Q96 PolarHBondContact O-N 3.2Å; Q96-Y99 PolarHBondContact O-N 3.33Å; Q96-E100 PolarHBondContact NE2-OE1 3.2Å; Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 2.83Å
97E98.3Very high97.6Very high135 Ų13555.6 Ų55.663%0.63130%0.303SS*.Hα-helixtrans-62.6-45.9177.7-69.9178.8176.800111.7L93 T94 F95 E100 A101L93-E97 PolarHBondContact O-N 2.66Å; T94-E97 PolarHBondContact O-N 3.15Å; F95-E97 PolarHBondContact O-N 3.34Å; E97-E100 PolarHBondContact O-N 3.29Å; E97-A101 PolarHBondContact O-N 2.77Å
98V98.7Very high97.6Very high19 Ų1956.3 Ų56.312%0.11531%0.307CS..Hα-helixtrans-63.2-45.1176.41750000110.5A29 K32 L33 T94 F95 E100 A101 E102A29-V98 HydrophobicContact CB-CB 4.33Å; A29-V98 HydrophobicContact CB-CG1 3.8Å; K32-V98 HydrophobicContact CD-CG1 3.9Å; K32-V98 HydrophobicContact CD-CG2 4.34Å; L33-V98 HydrophobicContact CD1-CB 4.29Å; L33-V98 HydrophobicContact CD1-CG2 4.06Å; T94-V98 WeakPolarHBondContact O-CG2 3.2Å; T94-V98 PolarHBondContact O-N 2.83Å; T94-V98 VanDerWaalsContact O-N 3.08Å; F95-V98 PolarHBondContact O-N 3.41Å; V98-E100 VanDerWaalsContact C-N 3.33Å; V98-E100 PolarHBondContact O-N 3.45Å; V98-A101 PolarHBondContact O-N 3.09Å; V98-E102 HydrophobicContact CG1-CG 4.36Å; V98-E102 WeakPolarHBondContact O-CG 3.43Å; V98-E102 PolarHBondContact O-N 2.81Å
99Y98.6Very high97.7Very high21 Ų2155.8 Ų55.88%0.08230%0.299CS..Hα-helixtrans-62.1-39.7179.6178.5-135.6000112.2P25 F26 F49 F95 Q96 E102 L103P25-Y99 HydrophobicContact CB-CD2 4.11Å; P25-Y99 HydrophobicContact CB-CE2 3.91Å; F26-Y99 HydrophobicContact CB-CD2 4.26Å; F26-Y99 HydrophobicContact CB-CE2 3.78Å; F49-Y99 HydrophobicContact CE1-CD1 4.47Å; F49-Y99 AromaticContact CE1-CE1 3.71Å; F49-Y99 HydrophobicContact CE1-CE1 3.71Å; F49-Y99 HydrophobicContact CZ-CD1 4.05Å; F49-Y99 AromaticContact CZ-CE1 3.71Å; F49-Y99 HydrophobicContact CZ-CE1 3.71Å; F95-Y99 HydrophobicContact CE1-CD1 4.48Å; F95-Y99 HydrophobicContact CZ-CG 4.38Å; F95-Y99 VanDerWaalsContact O-CB 3.27Å; F95-Y99 WeakPolarHBondContact O-CB 3.45Å; F95-Y99 PolarHBondContact O-N 3.08Å; Q96-Y99 PolarHBondContact O-N 3.33Å; Y99-E102 PolarHBondContact O-N 2.9Å; Y99-L103 HydrophobicContact CD1-CD1 4.14Å; Y99-L103 HydrophobicContact CD2-CD1 4.27Å; Y99-L103 HydrophobicContact CD2-CG 4.12Å; Y99-L103 HydrophobicContact CE1-CD1 3.8Å; Y99-L103 HydrophobicContact CE2-CD1 3.94Å; Y99-L103 HydrophobicContact CE2-CD2 4Å; Y99-L103 HydrophobicContact CE2-CG 3.78Å; Y99-L103 HydrophobicContact CG-CD1 4.36Å; Y99-L103 WeakPolarHBondContact O-CB 3.3Å; Y99-L103 VanDerWaalsContact O-CG 3.29Å; Y99-L103 WeakPolarHBondContact O-CG 3.41Å; Y99-L103 PolarHBondContact O-N 3.19Å
100E97.6Very high97.8Very high66 Ų6656.8 Ų56.831%0.30830%0.301SS..Hα-helixtrans-65.3-41.4174.5-76.1175.9179.800112.5R71 Q96 E97 V98 E102 L103 D104R71-E100 IonicContact CZ-OE1 3.69Å; R71-E100 IonicContact NE-OE1 3.55Å; R71-E100 IonicContact NH1-OE1 3.26Å; R71-E100 PolarHBondContact NH1-OE1 2.99Å; R71-E100 IonicContact NH1-OE2 3.97Å; R71-E100 IonicContact NH2-OE1 2.64Å; R71-E100 PolarHBondContact NH2-OE1 2.87Å; Q96-E100 PolarHBondContact NE2-OE1 3.2Å; Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 2.83Å; E97-E100 PolarHBondContact O-N 3.29Å; V98-E100 VanDerWaalsContact C-N 3.33Å; V98-E100 PolarHBondContact O-N 3.45Å; E100-E102 VanDerWaalsContact C-N 3.31Å; E100-E102 PolarHBondContact O-N 3.09Å; E100-L103 PolarHBondContact O-N 3.11Å; E100-D104 WeakPolarHBondContact O-CB 3.42Å; E100-D104 PolarHBondContact O-N 3.05Å
101A98.3Very high97.9Very high60 Ų6050.6 Ų50.650%0.49627%0.272SS..Hα-helixtrans-62.1-39.9174.800000112E97 V98 D104 A105E97-A101 PolarHBondContact O-N 2.77Å; V98-A101 PolarHBondContact O-N 3.09Å; A101-D104 PolarHBondContact O-N 2.67Å; A101-A105 PolarHBondContact O-N 3.24Å
102E98.3Very high98Very high50 Ų5046.4 Ų46.423%0.23425%0.252CS..Hα-helixtrans-71.3-35.2176.7-66.1-63.7157.100112.5P25 K28 V98 Y99 E100 D104 A105 I106P25-E102 HydrophobicContact CB-CB 3.68Å; K28-E102 HydrophobicContact CB-CG 3.99Å; K28-E102 WeakPolarHBondContact CD-OE2 3.27Å; V98-E102 HydrophobicContact CG1-CG 4.36Å; V98-E102 WeakPolarHBondContact O-CG 3.43Å; V98-E102 PolarHBondContact O-N 2.81Å; Y99-E102 PolarHBondContact O-N 2.9Å; E100-E102 VanDerWaalsContact C-N 3.31Å; E100-E102 PolarHBondContact O-N 3.09Å; E102-D104 PolarHBondContact O-N 3.07Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 PolarHBondContact O-N 3.08Å; E102-A105 VanDerWaalsContact O-N 3.11Å; E102-I106 PolarHBondContact O-N 2.73Å
103L97.1Very high98Very high41 Ų4150.6 Ų50.622%0.21527%0.272CS..Hα-helixtrans-62.9-31.9170.8-76.6169.3000111.3P25 Y99 E100 A105P25-L103 HydrophobicContact CB-CD2 4.07Å; P25-L103 HydrophobicContact CB-CG 4.16Å; P25-L103 HydrophobicContact CG-CD2 4.18Å; Y99-L103 HydrophobicContact CD1-CD1 4.14Å; Y99-L103 HydrophobicContact CD2-CD1 4.27Å; Y99-L103 HydrophobicContact CD2-CG 4.12Å; Y99-L103 HydrophobicContact CE1-CD1 3.8Å; Y99-L103 HydrophobicContact CE2-CD1 3.94Å; Y99-L103 HydrophobicContact CE2-CD2 4Å; Y99-L103 HydrophobicContact CE2-CG 3.78Å; Y99-L103 HydrophobicContact CG-CD1 4.36Å; Y99-L103 WeakPolarHBondContact O-CB 3.3Å; Y99-L103 VanDerWaalsContact O-CG 3.29Å; Y99-L103 WeakPolarHBondContact O-CG 3.41Å; Y99-L103 PolarHBondContact O-N 3.19Å; E100-L103 PolarHBondContact O-N 3.11Å; L103-A105 PolarHBondContact O-N 2.96Å
104D96.4Very high98.1Very high91 Ų9151.9 Ų51.949%0.48728%0.275SS..THydrogen-bonded Turntrans-78.8-7.2176.7-82.410.3000113.8E100 A101 E102 K139 Q143E100-D104 WeakPolarHBondContact O-CB 3.42Å; E100-D104 PolarHBondContact O-N 3.05Å; A101-D104 PolarHBondContact O-N 2.67Å; E102-D104 PolarHBondContact O-N 3.07Å; D104-K139 WeakPolarHBondContact OD1-CE 3.47Å; D104-K139 IonicContact OD1-NZ 3.64Å; D104-K139 PolarHBondContact OD1-NZ 3.39Å; D104-K139 IonicContact OD2-NZ 3.33Å; D104-K139 PolarHBondContact OD2-NZ 2.88Å; D104-Q143 PolarHBondContact O-NE2 3.44Å
105A96.5Very high98.1Very high55 Ų5549.3 Ų49.346%0.45526%0.259SS..THydrogen-bonded Turntrans-123.325.1-177.400000113.5A101 E102 L103A101-A105 PolarHBondContact O-N 3.24Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 PolarHBondContact O-N 3.08Å; E102-A105 VanDerWaalsContact O-N 3.11Å; L103-A105 PolarHBondContact O-N 2.96Å
106I98.3Very high98.2Very high12 Ų1249.4 Ų49.46%0.06226%0.26CS..  trans-59146.3175.659.5169.8000111.9Y20 P25 E102 K140 Q143 L144Y20-I106 HydrophobicContact CD1-CD1 4.5Å; Y20-I106 HydrophobicContact CD2-CB 4Å; Y20-I106 HydrophobicContact CD2-CD1 4.3Å; Y20-I106 HydrophobicContact CD2-CG2 3.95Å; Y20-I106 HydrophobicContact CE1-CD1 4.27Å; Y20-I106 HydrophobicContact CE2-CB 4.12Å; Y20-I106 HydrophobicContact CE2-CD1 4.06Å; Y20-I106 HydrophobicContact CE2-CG2 3.65Å; P25-I106 HydrophobicContact CG-CG2 3.62Å; E102-I106 PolarHBondContact O-N 2.73Å; I106-K140 HydrophobicContact CD1-CB 4.03Å; I106-K140 HydrophobicContact CD1-CD 4.27Å; I106-K140 HydrophobicContact CD1-CG 3.77Å; I106-Q143 HydrophobicContact CG1-CB 4.12Å; I106-L144 HydrophobicContact CB-CD2 4.44Å; I106-L144 HydrophobicContact CD1-CD1 4.12Å; I106-L144 HydrophobicContact CD1-CD2 3.97Å; I106-L144 HydrophobicContact CD1-CG 3.95Å; I106-L144 HydrophobicContact CG1-CD2 4.03Å; I106-L144 HydrophobicContact CG1-CG 4.36Å
107T97.7Very high98.2Very high79 Ų7952.9 Ų52.949%0.48528%0.279SS..  trans-128.2145.2178.952.90000110.8Y20 L144Y20-T107 WeakPolarHBondContact CB-O 3.39Å; T107-L144 VanDerWaalsContact C-CD2 3.46Å
108M98.3Very high98.2Very high26 Ų2648 Ų4813%0.12826%0.255CS..  trans-61.3141.7174.8-176.3178.7-59.400110.4I19 Q110 V112 E113 L116 L144 L146 W149I19-M108 HydrophobicContact CG2-CB 4.42Å; I19-M108 HydrophobicContact CG2-CE 3.91Å; I19-M108 HydrophobicContact CG2-CG 3.81Å; I19-M108 HydrophobicContact CG2-SD 4.39Å; M108-Q110 PolarHBondContact O-N 3.37Å; M108-V112 HydrophobicContact CG-CB 3.99Å; M108-V112 HydrophobicContact CG-CG1 4.04Å; M108-V112 HydrophobicContact SD-CB 4.24Å; M108-V112 HydrophobicContact SD-CG1 3.89Å; M108-E113 HydrophobicContact CG-CB 4.43Å; M108-E113 VanDerWaalsContact SD-CA 3.55Å; M108-E113 HydrophobicContact SD-CB 3.75Å; M108-E113 HydrophobicContact SD-CG 4.43Å; M108-L116 HydrophobicContact CE-CD1 3.75Å; M108-L116 HydrophobicContact SD-CD1 3.73Å; M108-L144 HydrophobicContact CB-CD2 4.34Å; M108-L144 WeakPolarHBondContact CE-O 3.26Å; M108-L146 HydrophobicContact CE-CD2 3.55Å; M108-L146 HydrophobicContact CE-CG 4.03Å; M108-W149 HydrophobicContact CE-CE3 4.24Å; M108-W149 HydrophobicContact CE-CH2 4.28Å; M108-W149 HydrophobicContact CE-CZ3 3.66Å; M108-W149 HydrophobicContact SD-CH2 4.44Å; M108-W149 HydrophobicContact SD-CZ3 4.36Å
109H98.3Very high98.2Very high58 Ų5847 Ų4727%0.26925%0.25SC..  trans-66.2134.4173.3-169.8-75.5000110.1I19 E111 V112 E113 F231I19-H109 PolarHBondContact O-N 3.43Å; H109-E111 VanDerWaalsContact C-N 3.29Å; H109-E111 PolarHBondContact ND1-N 2.94Å; H109-E111 PolarHBondContact O-N 3.4Å; H109-V112 HydrophobicContact CB-CB 4.44Å; H109-V112 HydrophobicContact CB-CG2 3.97Å; H109-V112 WeakPolarHBondContact O-CA 3.37Å; H109-V112 WeakPolarHBondContact O-CB 3.48Å; H109-V112 PolarHBondContact O-N 3.34Å; H109-E113 PolarHBondContact O-N 2.85Å; H109-E113 VanDerWaalsContact O-N 3.13Å; H109-F231 HydrophobicContact CB-CD1 4.03Å; H109-F231 HydrophobicContact CB-CE1 4.02Å; H109-F231 AromaticContact CD2-CD2 3.75Å; H109-F231 AromaticContact CD2-CG 3.77Å; H109-F231 WeakPolarHBondContact CE1-CB 3.42Å; H109-F231 AromaticContact CE1-CG 3.67Å; H109-F231 AromaticContact CG-CD1 3.69Å; H109-F231 AromaticContact CG-CG 3.75Å; H109-F231 AromaticContact ND1-CD1 3.76Å; H109-F231 AromaticContact ND1-CG 3.66Å; H109-F231 AromaticContact NE2-CD2 3.77Å; H109-F231 AromaticContact NE2-CG 3.73Å
110Q98Very high98.2Very high122 Ų12251.8 Ų51.857%0.5727%0.271SS*.Hα-helixtrans-56.9-40-172.3-170.2-178.315.300113.4M108 V112 E113 K114M108-Q110 PolarHBondContact O-N 3.37Å; Q110-V112 VanDerWaalsContact C-N 3.28Å; Q110-V112 PolarHBondContact O-N 2.81Å; Q110-E113 PolarHBondContact O-N 2.96Å; Q110-K114 WeakPolarHBondContact O-CG 3.35Å; Q110-K114 PolarHBondContact O-N 3.01Å
111E98.5Very high98.2Very high24 Ų2452.8 Ų52.811%0.11229%0.285CS..Hα-helixtrans-68.4-25.9177-60.8-55.9125.800113.5H109 K114 T115 F231H109-E111 VanDerWaalsContact C-N 3.29Å; H109-E111 PolarHBondContact ND1-N 2.94Å; H109-E111 PolarHBondContact O-N 3.4Å; E111-K114 IonicContact OE1-NZ 2.73Å; E111-K114 PolarHBondContact OE1-NZ 3.22Å; E111-T115 VanDerWaalsContact O-CB 3.29Å; E111-T115 WeakPolarHBondContact O-CB 3.49Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.07Å; E111-F231 HydrophobicContact CB-CB 4.16Å; E111-F231 WeakPolarHBondContact CB-O 3.37Å; E111-F231 HydrophobicContact CG-CB 4.47Å
112V98.8Very high98.2Very high1 Ų154.5 Ų54.51%0.00628%0.282CS..Hα-helixtrans-71.2-45.6172.4177.70000109.5I19 M108 H109 Q110 K114 T115 L116 F231 L234I19-V112 HydrophobicContact CD1-CG1 3.6Å; I19-V112 HydrophobicContact CG2-CG1 4.22Å; M108-V112 HydrophobicContact CG-CB 3.99Å; M108-V112 HydrophobicContact CG-CG1 4.04Å; M108-V112 HydrophobicContact SD-CB 4.24Å; M108-V112 HydrophobicContact SD-CG1 3.89Å; H109-V112 HydrophobicContact CB-CB 4.44Å; H109-V112 HydrophobicContact CB-CG2 3.97Å; H109-V112 WeakPolarHBondContact O-CA 3.37Å; H109-V112 WeakPolarHBondContact O-CB 3.48Å; H109-V112 PolarHBondContact O-N 3.34Å; Q110-V112 VanDerWaalsContact C-N 3.28Å; Q110-V112 PolarHBondContact O-N 2.81Å; V112-K114 PolarHBondContact O-N 3.16Å; V112-T115 CarbonylContact O-C 3.55Å; V112-T115 WeakPolarHBondContact O-CA 3.44Å; V112-T115 WeakPolarHBondContact O-CB 3.5Å; V112-T115 PolarHBondContact O-N 3.44Å; V112-T115 VanDerWaalsContact O-N 3.09Å; V112-L116 HydrophobicContact CG1-CD1 4.04Å; V112-L116 HydrophobicContact CG1-CG 4.26Å; V112-L116 WeakPolarHBondContact O-CG 3.49Å; V112-L116 PolarHBondContact O-N 3.07Å; V112-F231 HydrophobicContact CG2-CD1 3.75Å; V112-F231 HydrophobicContact CG2-CE1 3.77Å; V112-L234 HydrophobicContact CG2-CD1 3.87Å
113E98.8Very high98.2Very high88 Ų8861 Ų6141%0.41131%0.309SS..Hα-helixtrans-57.4-49.9176.8-174177.7-161.300111.3M108 H109 Q110 T115 L116 D117 W149M108-E113 HydrophobicContact CG-CB 4.43Å; M108-E113 VanDerWaalsContact SD-CA 3.55Å; M108-E113 HydrophobicContact SD-CB 3.75Å; M108-E113 HydrophobicContact SD-CG 4.43Å; H109-E113 PolarHBondContact O-N 2.85Å; H109-E113 VanDerWaalsContact O-N 3.13Å; Q110-E113 PolarHBondContact O-N 2.96Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.76Å; E113-L116 PolarHBondContact O-N 3.24Å; E113-D117 PolarHBondContact O-N 3.03Å; E113-W149 HydrophobicContact CG-CH2 4.01Å; E113-W149 HydrophobicContact CG-CZ2 3.92Å
114K98.8Very high98.2Very high78 Ų7859.8 Ų59.834%0.33930%0.303SS..Hα-helixtrans-58.4-38.6175.4-67.9171.4-176.8164.70112.4Q110 E111 V112 F118 L235Q110-K114 WeakPolarHBondContact O-CG 3.35Å; Q110-K114 PolarHBondContact O-N 3.01Å; E111-K114 IonicContact OE1-NZ 2.73Å; E111-K114 PolarHBondContact OE1-NZ 3.22Å; V112-K114 PolarHBondContact O-N 3.16Å; K114-F118 WeakPolarHBondContact O-CB 3.39Å; K114-F118 PolarHBondContact O-N 3.46Å; K114-L235 HydrophobicContact CB-CD2 4.07Å; K114-L235 HydrophobicContact CD-CD2 4.44Å
115T98.8Very high98.3Very high0 Ų058.7 Ų58.70%030%0.301CS..Hα-helixtrans-67-45.1177.6-62.10000111.1E111 V112 E113 F118 L119 L235 F238E111-T115 VanDerWaalsContact O-CB 3.29Å; E111-T115 WeakPolarHBondContact O-CB 3.49Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.07Å; V112-T115 CarbonylContact O-C 3.55Å; V112-T115 WeakPolarHBondContact O-CA 3.44Å; V112-T115 WeakPolarHBondContact O-CB 3.5Å; V112-T115 PolarHBondContact O-N 3.44Å; V112-T115 VanDerWaalsContact O-N 3.09Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.76Å; T115-F118 WeakPolarHBondContact O-CB 3.43Å; T115-F118 PolarHBondContact O-N 3.26Å; T115-L119 HydrophobicContact CG2-CD1 4.2Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 VanDerWaalsContact O-CG 3.31Å; T115-L119 WeakPolarHBondContact O-CG 3.3Å; T115-L119 PolarHBondContact O-N 2.95Å; T115-L235 WeakPolarHBondContact OG1-CA 3.34Å; T115-L235 PolarHBondContact OG1-N 3.44Å; T115-F238 HydrophobicContact CG2-CB 4.1Å; T115-F238 HydrophobicContact CG2-CD2 3.3Å; T115-F238 HydrophobicContact CG2-CE2 3.86Å; T115-F238 HydrophobicContact CG2-CG 3.75Å
116L98.9Very high98.4Very high2 Ų256.6 Ų56.61%0.0128%0.282CS..Hα-helixtrans-64.2-40.6177.6-69.9175.6000112F13 M108 V112 E113 F118 L119 K120 V126 L146 W149F13-L116 HydrophobicContact CD2-CD2 4.36Å; F13-L116 HydrophobicContact CE2-CD2 3.93Å; F13-L116 HydrophobicContact CZ-CD2 4.43Å; M108-L116 HydrophobicContact CE-CD1 3.75Å; M108-L116 HydrophobicContact SD-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CD1 4.04Å; V112-L116 HydrophobicContact CG1-CG 4.26Å; V112-L116 WeakPolarHBondContact O-CG 3.49Å; V112-L116 PolarHBondContact O-N 3.07Å; E113-L116 PolarHBondContact O-N 3.24Å; L116-F118 VanDerWaalsContact C-N 3.34Å; L116-F118 PolarHBondContact O-N 3.31Å; L116-L119 PolarHBondContact O-N 2.94Å; L116-K120 WeakPolarHBondContact O-CB 3.45Å; L116-K120 PolarHBondContact O-N 2.91Å; L116-V126 HydrophobicContact CD2-CG1 3.91Å; L116-V126 HydrophobicContact CD2-CG2 4.46Å; L116-L146 HydrophobicContact CD1-CD2 4.05Å; L116-W149 HydrophobicContact CB-CB 4.43Å; L116-W149 HydrophobicContact CB-CD2 3.9Å; L116-W149 HydrophobicContact CB-CG 3.75Å; L116-W149 HydrophobicContact CD1-CD2 4.01Å; L116-W149 HydrophobicContact CD1-CE3 3.96Å; L116-W149 HydrophobicContact CD1-CG 4.31Å; L116-W149 HydrophobicContact CD1-CZ3 4.46Å; L116-W149 HydrophobicContact CG-CG 4.5Å
117D98.8Very high98.4Very high83 Ų8356.2 Ų56.244%0.44428%0.281SS..Hα-helixtrans-60.7-43.3172.7-83.3-14.3000112.2E113 K120 S121 W149E113-D117 PolarHBondContact O-N 3.03Å; D117-K120 PolarHBondContact O-N 3.12Å; D117-S121 WeakPolarHBondContact O-CB 3.39Å; D117-S121 PolarHBondContact O-N 2.65Å; D117-W149 PolarHBondContact OD1-NE1 2.87Å
118F98.8Very high98.5Very high31 Ų3152.5 Ų52.514%0.13626%0.258CS..Hα-helixtrans-61.2-49.3175.1172-100.2000111.5K114 T115 L116 K120 S121 K122 L235 F238 Q239 F242K114-F118 WeakPolarHBondContact O-CB 3.39Å; K114-F118 PolarHBondContact O-N 3.46Å; T115-F118 WeakPolarHBondContact O-CB 3.43Å; T115-F118 PolarHBondContact O-N 3.26Å; L116-F118 VanDerWaalsContact C-N 3.34Å; L116-F118 PolarHBondContact O-N 3.31Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.11Å; F118-S121 WeakPolarHBondContact O-CB 3.48Å; F118-S121 PolarHBondContact O-N 2.69Å; F118-S121 VanDerWaalsContact O-N 3.14Å; F118-S121 PolarHBondContact O-OG 2.82Å; F118-K122 HydrophobicContact CD2-CG 4.45Å; F118-K122 HydrophobicContact CE1-CG 4.19Å; F118-K122 HydrophobicContact CE2-CD 4.45Å; F118-K122 HydrophobicContact CE2-CG 3.91Å; F118-K122 HydrophobicContact CZ-CD 4.36Å; F118-K122 HydrophobicContact CZ-CG 3.75Å; F118-K122 PolarHBondContact O-N 3.39Å; F118-L235 HydrophobicContact CB-CD1 3.71Å; F118-L235 HydrophobicContact CD1-CD1 4.48Å; F118-L235 HydrophobicContact CG-CD1 4.04Å; F118-F238 HydrophobicContact CD1-CB 4.24Å; F118-F238 HydrophobicContact CE1-CB 4.31Å; F118-F238 WeakPolarHBondContact CE1-O 3.44Å; F118-Q239 HydrophobicContact CD1-CG 4.39Å; F118-Q239 HydrophobicContact CD2-CG 4.04Å; F118-Q239 HydrophobicContact CE1-CG 4.17Å; F118-Q239 HydrophobicContact CE2-CG 3.79Å; F118-Q239 HydrophobicContact CG-CG 4.33Å; F118-Q239 HydrophobicContact CZ-CB 4.27Å; F118-Q239 HydrophobicContact CZ-CG 3.87Å; F118-F242 HydrophobicContact CE1-CB 4.05Å; F118-F242 HydrophobicContact CE1-CD2 4.45Å; F118-F242 HydrophobicContact CZ-CB 4.21Å
119L98.7Very high98.5Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-58.8-43.7178-69174000111.7V11 F13 T115 L116 S121 K122 K123 V124 V126 F238 F242V11-L119 HydrophobicContact CB-CD1 4.3Å; V11-L119 HydrophobicContact CG1-CD1 4.47Å; V11-L119 HydrophobicContact CG2-CD1 4.16Å; V11-L119 HydrophobicContact CG2-CD2 4.1Å; F13-L119 HydrophobicContact CE2-CD1 4Å; F13-L119 HydrophobicContact CZ-CD1 4.22Å; T115-L119 HydrophobicContact CG2-CD1 4.2Å; T115-L119 HydrophobicContact CG2-CG 4.49Å; T115-L119 VanDerWaalsContact O-CG 3.31Å; T115-L119 WeakPolarHBondContact O-CG 3.3Å; T115-L119 PolarHBondContact O-N 2.95Å; L116-L119 PolarHBondContact O-N 2.94Å; L119-S121 PolarHBondContact O-N 3.05Å; L119-K122 CarbonylContact O-C 3.6Å; L119-K122 PolarHBondContact O-N 2.76Å; L119-K123 PolarHBondContact O-N 3.19Å; L119-V124 HydrophobicContact CB-CB 4.27Å; L119-V124 HydrophobicContact CD2-CB 4.02Å; L119-V124 HydrophobicContact CD2-CG1 4.04Å; L119-V124 HydrophobicContact CD2-CG2 4.2Å; L119-V124 PolarHBondContact O-N 2.77Å; L119-V126 HydrophobicContact CB-CG2 4.03Å; L119-V126 HydrophobicContact CD1-CG2 3.95Å; L119-F238 HydrophobicContact CD1-CD1 4.44Å; L119-F238 HydrophobicContact CD1-CE1 4.46Å; L119-F238 HydrophobicContact CD2-CD1 3.82Å; L119-F238 HydrophobicContact CD2-CE1 4.37Å; L119-F238 HydrophobicContact CD2-CG 4.45Å; L119-F242 HydrophobicContact CD2-CD2 3.61Å; L119-F242 HydrophobicContact CD2-CE2 3.39Å; L119-F242 HydrophobicContact CD2-CZ 4.25Å
120K98.5Very high98.6Very high121 Ų12148.5 Ų48.553%0.52624%0.239SC..Hα-helixtrans-61.4-42.5174.8-177.4174.4-178.4173.60112.2L116 D117 F118 K122 K123 N148L116-K120 WeakPolarHBondContact O-CB 3.45Å; L116-K120 PolarHBondContact O-N 2.91Å; D117-K120 PolarHBondContact O-N 3.12Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.11Å; K120-K122 PolarHBondContact O-N 3.32Å; K120-K123 PolarHBondContact O-N 3.48Å; K120-N148 PolarHBondContact NZ-O 2.64Å
121S98.4Very high98.6Very high87 Ų8743.9 Ų43.961%0.60822%0.219SC*.Hα-helixtrans-62.5-33.1177.181.60000112.7D117 F118 L119 K123D117-S121 WeakPolarHBondContact O-CB 3.39Å; D117-S121 PolarHBondContact O-N 2.65Å; F118-S121 WeakPolarHBondContact O-CB 3.48Å; F118-S121 PolarHBondContact O-N 2.69Å; F118-S121 VanDerWaalsContact O-N 3.14Å; F118-S121 PolarHBondContact O-OG 2.82Å; L119-S121 PolarHBondContact O-N 3.05Å; S121-K123 VanDerWaalsContact C-N 3.3Å
122K97.8Very high98.5Very high96 Ų9643.9 Ų43.942%0.41723%0.225SC..THydrogen-bonded Turntrans-84-3175.2-68.7-70.9-171.8144.70113.3F118 L119 K120 V124 F242 A243F118-K122 HydrophobicContact CD2-CG 4.45Å; F118-K122 HydrophobicContact CE1-CG 4.19Å; F118-K122 HydrophobicContact CE2-CD 4.45Å; F118-K122 HydrophobicContact CE2-CG 3.91Å; F118-K122 HydrophobicContact CZ-CD 4.36Å; F118-K122 HydrophobicContact CZ-CG 3.75Å; F118-K122 PolarHBondContact O-N 3.39Å; L119-K122 CarbonylContact O-C 3.6Å; L119-K122 PolarHBondContact O-N 2.76Å; K120-K122 PolarHBondContact O-N 3.32Å; K122-V124 HydrophobicContact CB-CG2 3.9Å; K122-V124 PolarHBondContact O-N 3.33Å; K122-F242 WeakPolarHBondContact CE-O 3.42Å; K122-F242 PolarHBondContact NZ-O 3.44Å; K122-A243 PolarHBondContact NZ-O 2.86Å
123K97.6Very high98.4Very high186 Ų18647 Ų4781%0.80925%0.245SC*.THydrogen-bonded Turntrans57.931.2-175.3-53.4179.8179.8179.20113.3L119 K120 S121 P125L119-K123 PolarHBondContact O-N 3.19Å; K120-K123 PolarHBondContact O-N 3.48Å; S121-K123 VanDerWaalsContact C-N 3.3Å; K123-P125 WeakPolarHBondContact O-CD 3.25Å
124V98.1Very high98.4Very high16 Ų1644.7 Ų44.710%0.09724%0.237CC..  trans-75.2125.3173.5177.40000108.2V11 L119 K122 V126 F242V11-V124 HydrophobicContact CG2-CG1 3.97Å; L119-V124 HydrophobicContact CB-CB 4.27Å; L119-V124 HydrophobicContact CD2-CB 4.02Å; L119-V124 HydrophobicContact CD2-CG1 4.04Å; L119-V124 HydrophobicContact CD2-CG2 4.2Å; L119-V124 PolarHBondContact O-N 2.77Å; K122-V124 HydrophobicContact CB-CG2 3.9Å; K122-V124 PolarHBondContact O-N 3.33Å; V124-V126 PolarHBondContact O-N 2.67Å; V124-F242 HydrophobicContact CB-CE1 4.39Å; V124-F242 HydrophobicContact CB-CZ 4.33Å; V124-F242 HydrophobicContact CG1-CE1 3.89Å; V124-F242 HydrophobicContact CG1-CE2 4.14Å; V124-F242 HydrophobicContact CG1-CZ 3.54Å; V124-F242 HydrophobicContact CG2-CD1 3.6Å; V124-F242 HydrophobicContact CG2-CD2 4.26Å; V124-F242 HydrophobicContact CG2-CE1 3.53Å; V124-F242 HydrophobicContact CG2-CE2 4.21Å; V124-F242 HydrophobicContact CG2-CG 3.97Å; V124-F242 HydrophobicContact CG2-CZ 3.85Å
125P98.3Very high98.3Very high68 Ų6847.7 Ų47.744%0.44226%0.257SS..  trans-62.2130.9174.4-22.634.3000111.3E9 T10 V11 K123E9-P125 WeakPolarHBondContact O-CD 3.29Å; T10-P125 HydrophobicContact CG2-CB 3.92Å; T10-P125 HydrophobicContact CG2-CG 3.92Å; V11-P125 PolarHBondContact N-O 2.83Å; K123-P125 WeakPolarHBondContact O-CD 3.25Å
126V98.8Very high98.2Very high10 Ų1051.9 Ų51.96%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-115.6136.5175.3-174.10000109.2V11 F13 L116 L119 V124 V150V11-V126 VanDerWaalsContact O-CA 3.29Å; V11-V126 WeakPolarHBondContact O-CA 3.4Å; F13-V126 HydrophobicContact CD2-CG1 3.79Å; F13-V126 HydrophobicContact CE2-CG1 4.01Å; L116-V126 HydrophobicContact CD2-CG1 3.91Å; L116-V126 HydrophobicContact CD2-CG2 4.46Å; L119-V126 HydrophobicContact CB-CG2 4.03Å; L119-V126 HydrophobicContact CD1-CG2 3.95Å; V124-V126 PolarHBondContact O-N 2.67Å; V126-V150 HydrophobicContact CB-CG2 4.02Å; V126-V150 HydrophobicContact CG1-CG2 3.66Å
127S98.9Very high98.1Very high4 Ų452 Ų523%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-136.7170.3175.4-47.40000110.8V11 V12 F13 N154V11-S127 PolarHBondContact O-N 3.17Å; V12-S127 CarbonylContact C-O 3.57Å; V12-S127 VanDerWaalsContact CA-O 3.27Å; V12-S127 WeakPolarHBondContact CA-O 3.47Å; F13-S127 PolarHBondContact N-O 3.32Å; S127-N154 CarbonylContact C-O 3.49Å; S127-N154 VanDerWaalsContact CA-O 3.25Å; S127-N154 WeakPolarHBondContact CA-O 3.39Å; S127-N154 VanDerWaalsContact CB-O 3.25Å; S127-N154 WeakPolarHBondContact CB-O 3.46Å
128I98.9Very high98.1Very high1 Ų151.6 Ų51.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-129135.1-179.8-67.2162.7000109.8F13 I15 T130 L146 V150 N154 I155 I156F13-I128 WeakPolarHBondContact O-CA 3.4Å; I15-I128 HydrophobicContact CD1-CG2 3.93Å; I15-I128 HydrophobicContact CG1-CG2 3.79Å; I128-T130 HydrophobicContact CG2-CG2 4.39Å; I128-L146 HydrophobicContact CD1-CB 4.13Å; I128-L146 HydrophobicContact CD1-CD1 3.84Å; I128-L146 HydrophobicContact CD1-CD2 4.26Å; I128-L146 HydrophobicContact CD1-CG 4.31Å; I128-V150 HydrophobicContact CD1-CB 4.22Å; I128-V150 HydrophobicContact CD1-CG1 4.21Å; I128-V150 HydrophobicContact CD1-CG2 4.07Å; I128-V150 HydrophobicContact CG1-CG1 4.36Å; I128-V150 HydrophobicContact CG1-CG2 4.28Å; I128-N154 PolarHBondContact N-O 3.26Å; I128-I155 HydrophobicContact CB-CG1 4.35Å; I128-I155 HydrophobicContact CB-CG2 4.45Å; I128-I155 HydrophobicContact CD1-CD1 4.48Å; I128-I155 HydrophobicContact CD1-CG1 4.35Å; I128-I155 HydrophobicContact CG2-CG2 4.48Å; I128-I156 PolarHBondContact O-N 3.47Å
129I98.8Very high98.1Very high0 Ų054 Ų540%028%0.28CS..EExtended strand (participates in β ladder)trans-129.6119.8163.4-55.5172.5000106.9V12 F13 I156 K165 I170 F171 F178 Y187 W204V12-I129 HydrophobicContact CG1-CB 4.33Å; V12-I129 HydrophobicContact CG1-CD1 3.99Å; V12-I129 HydrophobicContact CG1-CG1 3.74Å; F13-I129 PolarHBondContact O-N 3.31Å; F13-I129 VanDerWaalsContact O-N 3.08Å; I129-I156 WeakPolarHBondContact CA-O 3.45Å; I129-I156 HydrophobicContact CG1-CB 4.22Å; I129-I156 HydrophobicContact CG2-CB 4.43Å; I129-I156 HydrophobicContact CG2-CG2 4.18Å; I129-K165 HydrophobicContact CG2-CD 4.4Å; I129-K165 HydrophobicContact CG2-CG 4.5Å; I129-K165 PolarHBondContact O-NZ 2.77Å; I129-I170 HydrophobicContact CG2-CD1 3.49Å; I129-I170 VanDerWaalsContact CG2-CD1 3.49Å; I129-I170 HydrophobicContact CG2-CG1 3.74Å; I129-I170 HydrophobicContact CG2-CG2 4.42Å; I129-F171 HydrophobicContact CD1-CD1 4.35Å; I129-F178 HydrophobicContact CD1-CE2 4.04Å; I129-F178 HydrophobicContact CG1-CE2 3.74Å; I129-F178 HydrophobicContact CG1-CZ 4.14Å; I129-Y187 HydrophobicContact CB-CE2 3.95Å; I129-Y187 HydrophobicContact CD1-CE2 4.3Å; I129-Y187 HydrophobicContact CG1-CE2 4.43Å; I129-Y187 PolarHBondContact O-OH 3.03Å; I129-W204 HydrophobicContact CD1-CH2 4.21Å
130T98.7Very high98.1Very high1 Ų154.5 Ų54.51%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-136151-178.7-165.90000113D14 I15 I128 Q137 I156 I157 S158D14-T130 WeakPolarHBondContact OD1-CB 3.33Å; D14-T130 PolarHBondContact OD1-OG1 2.89Å; I15-T130 HydrophobicContact CD1-CG2 3.86Å; I15-T130 HydrophobicContact CG1-CG2 4.17Å; I128-T130 HydrophobicContact CG2-CG2 4.39Å; T130-Q137 HydrophobicContact CG2-CB 4.02Å; T130-Q137 HydrophobicContact CG2-CG 3.92Å; T130-I156 PolarHBondContact N-O 3.32Å; T130-I157 HydrophobicContact CG2-CG1 4.06Å; T130-I157 WeakPolarHBondContact O-CA 3.44Å; T130-S158 PolarHBondContact O-N 3.12Å
131N98.6Very high98.1Very high25 Ų2548.8 Ų48.813%0.13426%0.257CS..  trans-88.3152.4176.5-79.310.4000111.3Q137 S158 K165N131-Q137 WeakPolarHBondContact O-CG 3.3Å; N131-Q137 PolarHBondContact O-NE2 3.18Å; N131-S158 VanDerWaalsContact CA-OG 3.26Å; N131-S158 WeakPolarHBondContact CA-OG 3.18Å; N131-K165 PolarHBondContact ND2-N 3.31Å; N131-K165 PolarHBondContact ND2-O 2.98Å; N131-K165 WeakPolarHBondContact OD1-CB 3.38Å; N131-K165 WeakPolarHBondContact OD1-CE 3.4Å; N131-K165 WeakPolarHBondContact OD1-CG 3.5Å; N131-K165 PolarHBondContact OD1-N 3.41Å
132G96.4Very high98.1Very high23 Ų2349.2 Ų49.224%0.23725%0.252CS..SBendtrans116.7-178.2172.100000114.6I157 S158 Q159G132-I157 WeakPolarHBondContact O-CG2 3.31Å; G132-S158 PolarHBondContact N-OG 2.91Å; G132-S158 PolarHBondContact O-OG 3.45Å; G132-Q159 WeakPolarHBondContact O-CB 3.1Å
133P97Very high98.1Very high67 Ų6747.4 Ų47.444%0.43525%0.245SC..  trans-66137.7-174.3-20.232.6000112.3D135 H136 Q137P133-D135 PolarHBondContact O-N 3.03Å; P133-H136 HydrophobicContact CB-CB 4.14Å; P133-H136 HydrophobicContact CG-CB 4.49Å; P133-H136 PolarHBondContact O-N 3.13Å; P133-Q137 PolarHBondContact O-N 2.91Å
134T98.1Very high98.2Very high40 Ų4039 Ų3925%0.24521%0.209CC..Hα-helixtrans-53.6-55.3-175.8-55.30000111.7H136 Q137 Y138 I157 Q159 A160T134-H136 VanDerWaalsContact C-N 3.3Å; T134-H136 PolarHBondContact O-N 3.32Å; T134-Q137 PolarHBondContact O-N 3.43Å; T134-Y138 VanDerWaalsContact O-CB 3.22Å; T134-Y138 WeakPolarHBondContact O-CB 3.49Å; T134-Y138 PolarHBondContact O-N 3.23Å; T134-I157 HydrophobicContact CG2-CD1 4.48Å; T134-Q159 PolarHBondContact OG1-OE1 3.21Å; T134-A160 HydrophobicContact CG2-CB 4.38Å; T134-A160 PolarHBondContact OG1-N 3.39Å
135D97.8Very high98.2Very high140 Ų14039.4 Ų39.475%0.74922%0.216SC*.Hα-helixtrans-63.3-38.4-176.8-63.8-14000112P133 K139P133-D135 PolarHBondContact O-N 3.03Å; D135-K139 WeakPolarHBondContact O-CB 3.22Å; D135-K139 PolarHBondContact O-N 2.67Å
136H96.3Very high98.2Very high89 Ų8936.2 Ų36.241%0.41220%0.195SC..Hα-helixtrans-70.3-46.3-179.1-174.363.9000111.7P133 T134 K139 K140P133-H136 HydrophobicContact CB-CB 4.14Å; P133-H136 HydrophobicContact CG-CB 4.49Å; P133-H136 PolarHBondContact O-N 3.13Å; T134-H136 VanDerWaalsContact C-N 3.3Å; T134-H136 PolarHBondContact O-N 3.32Å; H136-K139 WeakPolarHBondContact O-CB 3.49Å; H136-K139 PolarHBondContact O-N 3.43Å; H136-K140 WeakPolarHBondContact NE2-CE 3.42Å; H136-K140 PolarHBondContact NE2-NZ 3.42Å; H136-K140 PolarHBondContact O-N 3.32Å; H136-K140 VanDerWaalsContact O-N 3.15Å
137Q98Very high98.2Very high4 Ų438.8 Ų38.82%0.01921%0.208CC..Hα-helixtrans-68.9-38.4178.1-69.3-60.8-11.700111.5D16 T130 N131 P133 T134 K139 K140 I141 I157D16-Q137 PolarHBondContact OD2-NE2 3.11Å; T130-Q137 HydrophobicContact CG2-CB 4.02Å; T130-Q137 HydrophobicContact CG2-CG 3.92Å; N131-Q137 WeakPolarHBondContact O-CG 3.3Å; N131-Q137 PolarHBondContact O-NE2 3.18Å; P133-Q137 PolarHBondContact O-N 2.91Å; T134-Q137 PolarHBondContact O-N 3.43Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 3.15Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 3.37Å; Q137-K140 VanDerWaalsContact O-N 3.16Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.4Å; Q137-I141 PolarHBondContact O-N 2.96Å; Q137-I157 HydrophobicContact CB-CD1 3.91Å; Q137-I157 HydrophobicContact CB-CG1 4.07Å; Q137-I157 HydrophobicContact CB-CG2 3.84Å; Q137-I157 HydrophobicContact CG-CG2 4.04Å
138Y98.3Very high98.1Very high75 Ų7543.5 Ų43.529%0.29423%0.233SC..Hα-helixtrans-64.2-38.3175.2-159.1-105.6000112T134 K140 I141 L142 E152 I157T134-Y138 VanDerWaalsContact O-CB 3.22Å; T134-Y138 WeakPolarHBondContact O-CB 3.49Å; T134-Y138 PolarHBondContact O-N 3.23Å; Y138-K140 VanDerWaalsContact C-N 3.35Å; Y138-K140 PolarHBondContact O-N 3.22Å; Y138-I141 HydrophobicContact CD2-CD1 4.37Å; Y138-I141 WeakPolarHBondContact O-CB 3.29Å; Y138-I141 PolarHBondContact O-N 3.44Å; Y138-L142 HydrophobicContact CD1-CD1 4.09Å; Y138-L142 HydrophobicContact CD1-CG 4.36Å; Y138-L142 HydrophobicContact CE1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD2 4.31Å; Y138-L142 HydrophobicContact CE1-CG 4.2Å; Y138-L142 WeakPolarHBondContact O-CG 3.37Å; Y138-L142 PolarHBondContact O-N 2.89Å; Y138-L142 VanDerWaalsContact O-N 3.11Å; Y138-E152 PolarHBondContact OH-OE1 3.28Å; Y138-I157 HydrophobicContact CD2-CD1 4.35Å
139K98.3Very high98.1Very high81 Ų8145.5 Ų45.535%0.35224%0.241SC..Hα-helixtrans-56.8-46.7171-172.8-175.5-178.2-178.80111.6D104 D135 H136 Q137 I141 L142 Q143D104-K139 WeakPolarHBondContact OD1-CE 3.47Å; D104-K139 IonicContact OD1-NZ 3.64Å; D104-K139 PolarHBondContact OD1-NZ 3.39Å; D104-K139 IonicContact OD2-NZ 3.33Å; D104-K139 PolarHBondContact OD2-NZ 2.88Å; D135-K139 WeakPolarHBondContact O-CB 3.22Å; D135-K139 PolarHBondContact O-N 2.67Å; H136-K139 WeakPolarHBondContact O-CB 3.49Å; H136-K139 PolarHBondContact O-N 3.43Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 3.15Å; K139-I141 VanDerWaalsContact C-N 3.34Å; K139-I141 PolarHBondContact O-N 2.67Å; K139-L142 PolarHBondContact O-N 3.24Å; K139-Q143 HydrophobicContact CG-CG 4.41Å; K139-Q143 VanDerWaalsContact O-CG 3.32Å; K139-Q143 WeakPolarHBondContact O-CG 3.34Å; K139-Q143 PolarHBondContact O-N 3.34Å; K139-Q143 PolarHBondContact O-OE1 3.48Å
140K98.5Very high98.1Very high11 Ų1145.6 Ų45.65%0.04824%0.241CC..Hα-helixtrans-60.7-41.8176.4-66-177.5-172.2167.40112.2I15 D16 Y20 I106 H136 Q137 Y138 L142 Q143 L144I15-K140 HydrophobicContact CG2-CB 4.49Å; I15-K140 HydrophobicContact CG2-CD 4.43Å; D16-K140 IonicContact OD1-NZ 3.32Å; D16-K140 PolarHBondContact OD1-NZ 3.46Å; D16-K140 IonicContact OD2-NZ 2.61Å; D16-K140 PolarHBondContact OD2-NZ 3.09Å; Y20-K140 HydrophobicContact CE1-CD 4.29Å; Y20-K140 WeakPolarHBondContact OH-CE 3.33Å; Y20-K140 PolarHBondContact OH-NZ 3.39Å; I106-K140 HydrophobicContact CD1-CB 4.03Å; I106-K140 HydrophobicContact CD1-CD 4.27Å; I106-K140 HydrophobicContact CD1-CG 3.77Å; H136-K140 WeakPolarHBondContact NE2-CE 3.42Å; H136-K140 PolarHBondContact NE2-NZ 3.42Å; H136-K140 PolarHBondContact O-N 3.32Å; H136-K140 VanDerWaalsContact O-N 3.15Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 3.37Å; Q137-K140 VanDerWaalsContact O-N 3.16Å; Y138-K140 VanDerWaalsContact C-N 3.35Å; Y138-K140 PolarHBondContact O-N 3.22Å; K140-L142 VanDerWaalsContact C-N 3.26Å; K140-L142 PolarHBondContact O-N 2.92Å; K140-Q143 PolarHBondContact O-N 3.24Å; K140-L144 HydrophobicContact CB-CD1 4.42Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.31Å; K140-L144 WeakPolarHBondContact O-CG 3.46Å; K140-L144 PolarHBondContact O-N 3.42Å
141I98.7Very high98.1Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-57.1-43177.7-70167.4000111.1I15 Q137 Y138 K139 G145 L146 L147 I155 I157I15-I141 HydrophobicContact CD1-CD1 3.91Å; I15-I141 HydrophobicContact CD1-CG1 3.39Å; Q137-I141 VanDerWaalsContact O-CG1 3.31Å; Q137-I141 WeakPolarHBondContact O-CG1 3.4Å; Q137-I141 PolarHBondContact O-N 2.96Å; Y138-I141 HydrophobicContact CD2-CD1 4.37Å; Y138-I141 WeakPolarHBondContact O-CB 3.29Å; Y138-I141 PolarHBondContact O-N 3.44Å; K139-I141 VanDerWaalsContact C-N 3.34Å; K139-I141 PolarHBondContact O-N 2.67Å; I141-G145 PolarHBondContact O-N 2.86Å; I141-L146 HydrophobicContact CG1-CD1 4.3Å; I141-L146 HydrophobicContact CG2-CB 4.13Å; I141-L146 PolarHBondContact O-N 3.42Å; I141-L147 HydrophobicContact CG2-CD2 3.94Å; I141-L147 HydrophobicContact CG2-CG 4.15Å; I141-I155 HydrophobicContact CD1-CD1 4.22Å; I141-I155 HydrophobicContact CD1-CG2 3.58Å; I141-I155 HydrophobicContact CG2-CD1 3.98Å; I141-I157 HydrophobicContact CD1-CD1 4.13Å
142L98.4Very high98Very high96 Ų9652.8 Ų52.850%0.50328%0.281SS..Hα-helixtrans-69.8-45.6176.3-62.2178.3000112.3Y138 K139 K140 L144 G145 L147Y138-L142 HydrophobicContact CD1-CD1 4.09Å; Y138-L142 HydrophobicContact CD1-CG 4.36Å; Y138-L142 HydrophobicContact CE1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD2 4.31Å; Y138-L142 HydrophobicContact CE1-CG 4.2Å; Y138-L142 WeakPolarHBondContact O-CG 3.37Å; Y138-L142 PolarHBondContact O-N 2.89Å; Y138-L142 VanDerWaalsContact O-N 3.11Å; K139-L142 PolarHBondContact O-N 3.24Å; K140-L142 VanDerWaalsContact C-N 3.26Å; K140-L142 PolarHBondContact O-N 2.92Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.1Å; L142-G145 PolarHBondContact O-N 3.41Å; L142-G145 VanDerWaalsContact O-N 3.1Å; L142-L147 HydrophobicContact CD2-CD1 3.68Å
143Q97.9Very high98.1Very high59 Ų5957.9 Ų57.928%0.27630%0.302SS..Hα-helixtrans-60.1-41.5179-73.5168.9-49.200112.4D104 I106 K139 K140 G145D104-Q143 PolarHBondContact O-NE2 3.44Å; I106-Q143 HydrophobicContact CG1-CB 4.12Å; K139-Q143 HydrophobicContact CG-CG 4.41Å; K139-Q143 VanDerWaalsContact O-CG 3.32Å; K139-Q143 WeakPolarHBondContact O-CG 3.34Å; K139-Q143 PolarHBondContact O-N 3.34Å; K139-Q143 PolarHBondContact O-OE1 3.48Å; K140-Q143 PolarHBondContact O-N 3.24Å; Q143-G145 PolarHBondContact O-N 3.14Å
144L98.5Very high98.2Very high10 Ų1056.6 Ų56.65%0.05229%0.292CS..THydrogen-bonded Turntrans-80.5-3.6179.5-61.4170.6000112.5I15 I19 Y20 I106 T107 M108 K140 L142 L146I15-L144 HydrophobicContact CG2-CD1 3.84Å; I19-L144 HydrophobicContact CB-CD1 4.43Å; I19-L144 HydrophobicContact CG2-CD1 3.89Å; Y20-L144 HydrophobicContact CD1-CD1 3.94Å; Y20-L144 HydrophobicContact CG-CD1 4.48Å; Y20-L144 HydrophobicContact CG-CD2 4.33Å; I106-L144 HydrophobicContact CB-CD2 4.44Å; I106-L144 HydrophobicContact CD1-CD1 4.12Å; I106-L144 HydrophobicContact CD1-CD2 3.97Å; I106-L144 HydrophobicContact CD1-CG 3.95Å; I106-L144 HydrophobicContact CG1-CD2 4.03Å; I106-L144 HydrophobicContact CG1-CG 4.36Å; T107-L144 VanDerWaalsContact C-CD2 3.46Å; M108-L144 HydrophobicContact CB-CD2 4.34Å; M108-L144 WeakPolarHBondContact CE-O 3.26Å; K140-L144 HydrophobicContact CB-CD1 4.42Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.31Å; K140-L144 WeakPolarHBondContact O-CG 3.46Å; K140-L144 PolarHBondContact O-N 3.42Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.1Å; L144-L146 HydrophobicContact CB-CD1 4.16Å; L144-L146 HydrophobicContact CB-CG 4.05Å; L144-L146 HydrophobicContact CD1-CD1 4.19Å; L144-L146 PolarHBondContact O-N 3.4Å
145G98.2Very high98.2Very high23 Ų2355.6 Ų55.624%0.23729%0.285CS..THydrogen-bonded Turntrans63.724.1179.500000114I141 L142 Q143 L147 N148 W149I141-G145 PolarHBondContact O-N 2.86Å; L142-G145 PolarHBondContact O-N 3.41Å; L142-G145 VanDerWaalsContact O-N 3.1Å; Q143-G145 PolarHBondContact O-N 3.14Å; G145-L147 PolarHBondContact O-N 2.77Å; G145-L147 VanDerWaalsContact O-N 3.07Å; G145-N148 WeakPolarHBondContact O-CB 3.31Å; G145-N148 PolarHBondContact O-N 2.96Å; G145-N148 PolarHBondContact O-ND2 2.98Å; G145-N148 VanDerWaalsContact O-ND2 3.11Å; G145-W149 VanDerWaalsContact O-CZ3 3.31Å; G145-W149 WeakPolarHBondContact O-CZ3 3.48Å
146L98.7Very high98.3Very high2 Ų249.1 Ų49.11%0.0125%0.25CS..G310 helixtrans-61.1-23.1-172.5-81.3165.8000113.2I15 I19 M108 L116 I128 I141 L144 N148 W149 V150I15-L146 HydrophobicContact CD1-CD1 4.13Å; I15-L146 HydrophobicContact CG1-CD1 4.33Å; I19-L146 HydrophobicContact CD1-CD2 4.29Å; I19-L146 HydrophobicContact CG1-CD2 4.5Å; I19-L146 HydrophobicContact CG2-CD1 4.29Å; I19-L146 HydrophobicContact CG2-CD2 4.09Å; I19-L146 HydrophobicContact CG2-CG 4.46Å; M108-L146 HydrophobicContact CE-CD2 3.55Å; M108-L146 HydrophobicContact CE-CG 4.03Å; L116-L146 HydrophobicContact CD1-CD2 4.05Å; I128-L146 HydrophobicContact CD1-CB 4.13Å; I128-L146 HydrophobicContact CD1-CD1 3.84Å; I128-L146 HydrophobicContact CD1-CD2 4.26Å; I128-L146 HydrophobicContact CD1-CG 4.31Å; I141-L146 HydrophobicContact CG1-CD1 4.3Å; I141-L146 HydrophobicContact CG2-CB 4.13Å; I141-L146 PolarHBondContact O-N 3.42Å; L144-L146 HydrophobicContact CB-CD1 4.16Å; L144-L146 HydrophobicContact CB-CG 4.05Å; L144-L146 HydrophobicContact CD1-CD1 4.19Å; L144-L146 PolarHBondContact O-N 3.4Å; L146-N148 PolarHBondContact O-N 3.32Å; L146-N148 VanDerWaalsContact O-N 3.11Å; L146-W149 PolarHBondContact O-N 3Å; L146-V150 PolarHBondContact O-N 3.25Å
147L98.7Very high98.4Very high63 Ų6345.5 Ų45.533%0.3323%0.234SC..G310 helixtrans-64.8-10.8175.6-58.7-175.3000114.2I141 L142 G145 W149 V150 E152 I155I141-L147 HydrophobicContact CG2-CD2 3.94Å; I141-L147 HydrophobicContact CG2-CG 4.15Å; L142-L147 HydrophobicContact CD2-CD1 3.68Å; G145-L147 PolarHBondContact O-N 2.77Å; G145-L147 VanDerWaalsContact O-N 3.07Å; L147-W149 PolarHBondContact O-N 3.35Å; L147-V150 WeakPolarHBondContact CA-O 3.14Å; L147-V150 WeakPolarHBondContact CD2-O 3.38Å; L147-E152 HydrophobicContact CD1-CG 4.46Å; L147-E152 HydrophobicContact CD2-CG 3.98Å; L147-I155 HydrophobicContact CD2-CD1 3.74Å
148N98.2Very high98.4Very high104 Ų10445.6 Ų45.656%0.55624%0.235SC*.G310 helixtrans-69.9-19.1170.6-67.3-38.1000113.1K120 G145 L146K120-N148 PolarHBondContact NZ-O 2.64Å; G145-N148 WeakPolarHBondContact O-CB 3.31Å; G145-N148 PolarHBondContact O-N 2.96Å; G145-N148 PolarHBondContact O-ND2 2.98Å; G145-N148 VanDerWaalsContact O-ND2 3.11Å; L146-N148 PolarHBondContact O-N 3.32Å; L146-N148 VanDerWaalsContact O-N 3.11Å
149W98.6Very high98.4Very high42 Ų4247.7 Ų47.716%0.15925%0.247CC..THydrogen-bonded Turntrans-124.9-25.9-178.3-57-91.1000113.8M108 E113 L116 D117 G145 L146 L147M108-W149 HydrophobicContact CE-CE3 4.24Å; M108-W149 HydrophobicContact CE-CH2 4.28Å; M108-W149 HydrophobicContact CE-CZ3 3.66Å; M108-W149 HydrophobicContact SD-CH2 4.44Å; M108-W149 HydrophobicContact SD-CZ3 4.36Å; E113-W149 HydrophobicContact CG-CH2 4.01Å; E113-W149 HydrophobicContact CG-CZ2 3.92Å; L116-W149 HydrophobicContact CB-CB 4.43Å; L116-W149 HydrophobicContact CB-CD2 3.9Å; L116-W149 HydrophobicContact CB-CG 3.75Å; L116-W149 HydrophobicContact CD1-CD2 4.01Å; L116-W149 HydrophobicContact CD1-CE3 3.96Å; L116-W149 HydrophobicContact CD1-CG 4.31Å; L116-W149 HydrophobicContact CD1-CZ3 4.46Å; L116-W149 HydrophobicContact CG-CG 4.5Å; D117-W149 PolarHBondContact OD1-NE1 2.87Å; G145-W149 VanDerWaalsContact O-CZ3 3.31Å; G145-W149 WeakPolarHBondContact O-CZ3 3.48Å; L146-W149 PolarHBondContact O-N 3Å; L147-W149 PolarHBondContact O-N 3.35Å
150V98.7Very high98.3Very high2 Ų247.3 Ų47.31%0.01226%0.259CS..SBendtrans-123.2123.5-174.7-173.90000110.4V126 I128 L146 L147 N154 I155V126-V150 HydrophobicContact CB-CG2 4.02Å; V126-V150 HydrophobicContact CG1-CG2 3.66Å; I128-V150 HydrophobicContact CD1-CB 4.22Å; I128-V150 HydrophobicContact CD1-CG1 4.21Å; I128-V150 HydrophobicContact CD1-CG2 4.07Å; I128-V150 HydrophobicContact CG1-CG1 4.36Å; I128-V150 HydrophobicContact CG1-CG2 4.28Å; L146-V150 PolarHBondContact O-N 3.25Å; L147-V150 WeakPolarHBondContact CA-O 3.14Å; L147-V150 WeakPolarHBondContact CD2-O 3.38Å; V150-N154 HydrophobicContact CG1-CB 3.82Å; V150-N154 WeakPolarHBondContact CG1-O 3.33Å; V150-I155 HydrophobicContact CG1-CD1 4.28Å; V150-I155 HydrophobicContact CG1-CG1 3.74Å
151S97.9Very high98.2Very high60 Ų6048.7 Ų48.742%0.4227%0.269SS..  trans-69.1151.6172.754.50000111.3D153 N154S151-D153 PolarHBondContact O-N 3.11Å; S151-N154 WeakPolarHBondContact O-CA 3.32Å; S151-N154 WeakPolarHBondContact O-CB 3.26Å; S151-N154 PolarHBondContact O-N 3.48Å; S151-N154 PolarHBondContact OG-ND2 2.82Å; S151-N154 VanDerWaalsContact OG-ND2 3.16Å
152E97.7Very high98Very high118 Ų11851.9 Ų51.955%0.55130%0.302SS*.G310 helixtrans-55.7-36.9178.8-68.3-177.7-169.500112.9Y138 L147 N154 I155Y138-E152 PolarHBondContact OH-OE1 3.28Å; L147-E152 HydrophobicContact CD1-CG 4.46Å; L147-E152 HydrophobicContact CD2-CG 3.98Å; E152-N154 PolarHBondContact O-N 3.35Å; E152-N154 VanDerWaalsContact O-N 3.11Å; E152-I155 WeakPolarHBondContact O-CB 3.46Å; E152-I155 PolarHBondContact O-N 3.3Å; E152-I155 VanDerWaalsContact O-N 3.16Å
153D98Very high98Very high129 Ų12952.5 Ų52.569%0.6930%0.298SS*.G310 helixtrans-63.8-16.1175.9-63.6-37.3000113.6S151 Q177S151-D153 PolarHBondContact O-N 3.11Å; D153-Q177 PolarHBondContact O-NE2 2.83Å
154N98.5Very high98Very high41 Ų4155 Ų5522%0.21931%0.31CS..G310 helixtrans-10226.3178.9-74.3-19.3000112.6S127 I128 V150 S151 E152 F178S127-N154 CarbonylContact C-O 3.49Å; S127-N154 VanDerWaalsContact CA-O 3.25Å; S127-N154 WeakPolarHBondContact CA-O 3.39Å; S127-N154 VanDerWaalsContact CB-O 3.25Å; S127-N154 WeakPolarHBondContact CB-O 3.46Å; I128-N154 PolarHBondContact N-O 3.26Å; V150-N154 HydrophobicContact CG1-CB 3.82Å; V150-N154 WeakPolarHBondContact CG1-O 3.33Å; S151-N154 WeakPolarHBondContact O-CA 3.32Å; S151-N154 WeakPolarHBondContact O-CB 3.26Å; S151-N154 PolarHBondContact O-N 3.48Å; S151-N154 PolarHBondContact OG-ND2 2.82Å; S151-N154 VanDerWaalsContact OG-ND2 3.16Å; E152-N154 PolarHBondContact O-N 3.35Å; E152-N154 VanDerWaalsContact O-N 3.11Å; N154-F178 VanDerWaalsContact CA-CE1 3.41Å; N154-F178 HydrophobicContact CB-CD1 4.26Å; N154-F178 HydrophobicContact CB-CE1 4.41Å
155I98.8Very high98Very high19 Ų1954.7 Ų54.710%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-125.9130.6179.6-58.7176.9000109.2I128 I141 L147 V150 E152 I157 Q177I128-I155 HydrophobicContact CB-CG1 4.35Å; I128-I155 HydrophobicContact CB-CG2 4.45Å; I128-I155 HydrophobicContact CD1-CD1 4.48Å; I128-I155 HydrophobicContact CD1-CG1 4.35Å; I128-I155 HydrophobicContact CG2-CG2 4.48Å; I141-I155 HydrophobicContact CD1-CD1 4.22Å; I141-I155 HydrophobicContact CD1-CG2 3.58Å; I141-I155 HydrophobicContact CG2-CD1 3.98Å; L147-I155 HydrophobicContact CD2-CD1 3.74Å; V150-I155 HydrophobicContact CG1-CD1 4.28Å; V150-I155 HydrophobicContact CG1-CG1 3.74Å; E152-I155 WeakPolarHBondContact O-CB 3.46Å; E152-I155 PolarHBondContact O-N 3.3Å; E152-I155 VanDerWaalsContact O-N 3.16Å; I155-I157 HydrophobicContact CG2-CG1 4.23Å; I155-Q177 PolarHBondContact O-NE2 3.33Å
156I98.8Very high98Very high4 Ų455.4 Ų55.42%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-122.8127.9170.4-71.2170.5000109.1I128 I129 T130 T161 I170 L173 Q177 F178I128-I156 PolarHBondContact O-N 3.47Å; I129-I156 WeakPolarHBondContact CA-O 3.45Å; I129-I156 HydrophobicContact CG1-CB 4.22Å; I129-I156 HydrophobicContact CG2-CB 4.43Å; I129-I156 HydrophobicContact CG2-CG2 4.18Å; T130-I156 PolarHBondContact N-O 3.32Å; I156-T161 HydrophobicContact CG2-CG2 3.81Å; I156-I170 HydrophobicContact CG2-CD1 4.05Å; I156-I170 HydrophobicContact CG2-CG1 3.82Å; I156-L173 HydrophobicContact CD1-CB 4.39Å; I156-L173 HydrophobicContact CD1-CD2 4.14Å; I156-L173 HydrophobicContact CD1-CG 3.9Å; I156-L173 HydrophobicContact CG2-CD2 4.43Å; I156-Q177 HydrophobicContact CD1-CB 4.29Å; I156-F178 HydrophobicContact CB-CZ 4.2Å; I156-F178 HydrophobicContact CD1-CE1 3.98Å; I156-F178 HydrophobicContact CD1-CE2 4.12Å; I156-F178 HydrophobicContact CD1-CZ 3.54Å; I156-F178 HydrophobicContact CG1-CE1 3.97Å; I156-F178 HydrophobicContact CG1-CZ 3.63Å
157I98.7Very high97.9Very high12 Ų1258.6 Ų58.66%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-116.5123.6172.2-58.8164.9000108.1T130 G132 T134 Q137 Y138 I141 I155 Q159 A160T130-I157 HydrophobicContact CG2-CG1 4.06Å; T130-I157 WeakPolarHBondContact O-CA 3.44Å; G132-I157 WeakPolarHBondContact O-CG2 3.31Å; T134-I157 HydrophobicContact CG2-CD1 4.48Å; Q137-I157 HydrophobicContact CB-CD1 3.91Å; Q137-I157 HydrophobicContact CB-CG1 4.07Å; Q137-I157 HydrophobicContact CB-CG2 3.84Å; Q137-I157 HydrophobicContact CG-CG2 4.04Å; Y138-I157 HydrophobicContact CD2-CD1 4.35Å; I141-I157 HydrophobicContact CD1-CD1 4.13Å; I155-I157 HydrophobicContact CG2-CG1 4.23Å; I157-Q159 PolarHBondContact O-N 3.21Å; I157-A160 WeakPolarHBondContact O-CB 3.49Å; I157-A160 PolarHBondContact O-N 3Å
158S98.5Very high97.9Very high6 Ų657.9 Ų57.94%0.04232%0.324CS..Hα-helixtrans-46.5-49.2-172.457.80000115T130 N131 G132 A160 T161 G162 Y163T130-S158 PolarHBondContact O-N 3.12Å; N131-S158 VanDerWaalsContact CA-OG 3.26Å; N131-S158 WeakPolarHBondContact CA-OG 3.18Å; G132-S158 PolarHBondContact N-OG 2.91Å; G132-S158 PolarHBondContact O-OG 3.45Å; S158-A160 PolarHBondContact O-N 3.23Å; S158-T161 PolarHBondContact O-N 2.99Å; S158-T161 PolarHBondContact O-OG1 2.92Å; S158-G162 PolarHBondContact O-N 2.79Å; S158-Y163 CarbonylContact C-O 3.54Å; S158-Y163 WeakPolarHBondContact CA-O 3.21Å; S158-Y163 WeakPolarHBondContact CB-O 3.3Å
159Q97.8Very high97.9Very high119 Ų11957.7 Ų57.756%0.55632%0.319SS*.Hα-helixtrans-58.3-34.9-177.2-176.2-176.346.300112.4G132 T134 I157 T161G132-Q159 WeakPolarHBondContact O-CB 3.1Å; T134-Q159 PolarHBondContact OG1-OE1 3.21Å; I157-Q159 PolarHBondContact O-N 3.21Å; Q159-T161 PolarHBondContact O-N 3.28Å
160A96.6Very high97.9Very high73 Ų7355.7 Ų55.760%0.60331%0.312SS*.Hα-helixtrans-69.6-17.1178.500000113T134 I157 S158T134-A160 HydrophobicContact CG2-CB 4.38Å; T134-A160 PolarHBondContact OG1-N 3.39Å; I157-A160 WeakPolarHBondContact O-CB 3.49Å; I157-A160 PolarHBondContact O-N 3Å; S158-A160 PolarHBondContact O-N 3.23Å
161T95.9Very high97.9Very high40 Ų4055.6 Ų55.625%0.24531%0.311CS..Hα-helixtrans-108.1-24.5-174.174.50000113.6I156 S158 Q159 Y163 L173I156-T161 HydrophobicContact CG2-CG2 3.81Å; S158-T161 PolarHBondContact O-N 2.99Å; S158-T161 PolarHBondContact O-OG1 2.92Å; Q159-T161 PolarHBondContact O-N 3.28Å; T161-Y163 VanDerWaalsContact C-N 3.28Å; T161-Y163 PolarHBondContact OG1-N 2.61Å; T161-Y163 VanDerWaalsContact OG1-N 3.16Å; T161-Y163 PolarHBondContact OG1-O 2.82Å; T161-Y163 VanDerWaalsContact OG1-O 3.1Å; T161-L173 HydrophobicContact CG2-CD2 3.41Å; T161-L173 VanDerWaalsContact CG2-CD2 3.41Å
162G95.3Very high98Very high67 Ų6756.3 Ų56.369%0.69131%0.308SS*.THydrogen-bonded Turntrans82.2-0.7-172.600000114.7S158S158-G162 PolarHBondContact O-N 2.79Å
163Y97.7Very high98Very high110 Ų11053.3 Ų53.343%0.43130%0.295SS..  trans-116.9144.6173.5-54-70.3000109.7S158 T161 E169 I170S158-Y163 CarbonylContact C-O 3.54Å; S158-Y163 WeakPolarHBondContact CA-O 3.21Å; S158-Y163 WeakPolarHBondContact CB-O 3.3Å; T161-Y163 VanDerWaalsContact C-N 3.28Å; T161-Y163 PolarHBondContact OG1-N 2.61Å; T161-Y163 VanDerWaalsContact OG1-N 3.16Å; T161-Y163 PolarHBondContact OG1-O 2.82Å; T161-Y163 VanDerWaalsContact OG1-O 3.1Å; Y163-E169 HydrophobicContact CD1-CB 3.44Å; Y163-E169 VanDerWaalsContact CD1-CB 3.44Å; Y163-E169 HydrophobicContact CD1-CG 3.86Å; Y163-E169 HydrophobicContact CD2-CB 3.9Å; Y163-E169 HydrophobicContact CE1-CB 3.79Å; Y163-E169 HydrophobicContact CE1-CG 3.77Å; Y163-E169 HydrophobicContact CE2-CB 4.22Å; Y163-E169 HydrophobicContact CG-CB 3.49Å; Y163-E169 VanDerWaalsContact CG-CB 3.49Å; Y163-E169 HydrophobicContact CG-CG 4.38Å; Y163-I170 WeakPolarHBondContact O-CD1 3.32Å
164E98Very high98Very high112 Ų11247.1 Ų47.152%0.52326%0.262SS..  trans-130.2152.5177.566.7178.1-165.800110.8D167E164-D167 WeakPolarHBondContact O-CA 3.39Å; E164-D167 WeakPolarHBondContact O-CB 3.33Å; E164-D167 PolarHBondContact O-N 3.25Å
165K98.4Very high98Very high3 Ų348.7 Ų48.71%0.01327%0.267CS..THydrogen-bonded Turntrans-59.7134.5170.6-61.4178.5-711740108.9D14 I129 N131 I170 F171 Y187 N194 D195D14-K165 IonicContact OD1-NZ 2.76Å; D14-K165 PolarHBondContact OD1-NZ 3.05Å; D14-K165 IonicContact OD2-NZ 2.98Å; I129-K165 HydrophobicContact CG2-CD 4.4Å; I129-K165 HydrophobicContact CG2-CG 4.5Å; I129-K165 PolarHBondContact O-NZ 2.77Å; N131-K165 PolarHBondContact ND2-N 3.31Å; N131-K165 PolarHBondContact ND2-O 2.98Å; N131-K165 WeakPolarHBondContact OD1-CB 3.38Å; N131-K165 WeakPolarHBondContact OD1-CE 3.4Å; N131-K165 WeakPolarHBondContact OD1-CG 3.5Å; N131-K165 PolarHBondContact OD1-N 3.41Å; K165-I170 HydrophobicContact CG-CD1 4.45Å; K165-I170 HydrophobicContact CG-CG2 3.78Å; K165-F171 HydrophobicContact CB-CE2 4.36Å; K165-F171 HydrophobicContact CB-CZ 4.38Å; K165-F171 HydrophobicContact CD-CE1 4.46Å; K165-F171 HydrophobicContact CD-CZ 3.85Å; K165-F171 HydrophobicContact CG-CE2 3.87Å; K165-F171 HydrophobicContact CG-CZ 3.68Å; K165-Y187 HydrophobicContact CD-CE1 4.32Å; K165-Y187 VanDerWaalsContact CD-OH 3.25Å; K165-Y187 WeakPolarHBondContact CD-OH 3.46Å; K165-Y187 WeakPolarHBondContact CE-OH 3.42Å; K165-Y187 PolarHBondContact NZ-OH 2.99Å; K165-N194 HydrophobicContact CB-CB 3.78Å; K165-N194 WeakPolarHBondContact CB-O 3.43Å; K165-N194 PolarHBondContact O-OD1 3.08Å; K165-D195 WeakPolarHBondContact CD-OD1 3.4Å; K165-D195 WeakPolarHBondContact CE-OD1 3.46Å; K165-D195 IonicContact NZ-OD1 2.72Å; K165-D195 PolarHBondContact NZ-OD1 2.98Å
166P98Very high98Very high37 Ų3755.9 Ų55.924%0.2430%0.298CS..THydrogen-bonded Turncis-98.420.415.538.7-37000116.2V168 N193P166-V168 PolarHBondContact O-N 3.39Å; P166-N193 VanDerWaalsContact CB-O 3.27Å; P166-N193 WeakPolarHBondContact CB-O 3.5Å
167D98.2Very high97.9Very high69 Ų6959.5 Ų59.537%0.36931%0.314SS..  trans-59136.8176.8-61.4-22.9000109.9E164 E169 I170 F171E164-D167 WeakPolarHBondContact O-CA 3.39Å; E164-D167 WeakPolarHBondContact O-CB 3.33Å; E164-D167 PolarHBondContact O-N 3.25Å; D167-E169 PolarHBondContact O-N 3.44Å; D167-I170 WeakPolarHBondContact O-CG2 3.45Å; D167-F171 WeakPolarHBondContact O-CD2 3.39Å
168V98.2Very high97.9Very high49 Ų4960 Ų6030%0.29732%0.316SS..Hα-helixtrans-66.7-27.7-177.71710000110.5P166 I170 F171 E172 R201 A202P166-V168 PolarHBondContact O-N 3.39Å; V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 3.19Å; V168-F171 PolarHBondContact O-N 2.81Å; V168-F171 VanDerWaalsContact O-N 3.11Å; V168-E172 HydrophobicContact CG1-CG 4Å; V168-E172 PolarHBondContact O-N 3.34Å; V168-R201 HydrophobicContact CG2-CB 3.76Å; V168-A202 HydrophobicContact CG1-CB 4.03Å
169E98.5Very high97.8Very high99 Ų9964.8 Ų64.846%0.46335%0.35SS..Hα-helixtrans-58.7-38.5-177-70.582.3170.700113Y163 D167 F171 L173Y163-E169 HydrophobicContact CD1-CB 3.44Å; Y163-E169 VanDerWaalsContact CD1-CB 3.44Å; Y163-E169 HydrophobicContact CD1-CG 3.86Å; Y163-E169 HydrophobicContact CD2-CB 3.9Å; Y163-E169 HydrophobicContact CE1-CB 3.79Å; Y163-E169 HydrophobicContact CE1-CG 3.77Å; Y163-E169 HydrophobicContact CE2-CB 4.22Å; Y163-E169 HydrophobicContact CG-CB 3.49Å; Y163-E169 VanDerWaalsContact CG-CB 3.49Å; Y163-E169 HydrophobicContact CG-CG 4.38Å; D167-E169 PolarHBondContact O-N 3.44Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.83Å; E169-L173 WeakPolarHBondContact O-CB 3.32Å; E169-L173 PolarHBondContact O-N 2.75Å
170I98.7Very high97.8Very high0 Ų060.1 Ų60.10%033%0.329CS..Hα-helixtrans-69.4-33.8177.9-159.7178.6000111.6I129 I156 Y163 K165 D167 V168 G174I129-I170 HydrophobicContact CG2-CD1 3.49Å; I129-I170 VanDerWaalsContact CG2-CD1 3.49Å; I129-I170 HydrophobicContact CG2-CG1 3.74Å; I129-I170 HydrophobicContact CG2-CG2 4.42Å; I156-I170 HydrophobicContact CG2-CD1 4.05Å; I156-I170 HydrophobicContact CG2-CG1 3.82Å; Y163-I170 WeakPolarHBondContact O-CD1 3.32Å; K165-I170 HydrophobicContact CG-CD1 4.45Å; K165-I170 HydrophobicContact CG-CG2 3.78Å; D167-I170 WeakPolarHBondContact O-CG2 3.45Å; V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 3.19Å; I170-G174 PolarHBondContact O-N 3.43Å
171F98.7Very high97.8Very high0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-75.8-39.7176.8-64.8-82.8000111.5I129 K165 D167 V168 E169 L173 G174 K175 Y187 G198 S199 A202 W204I129-F171 HydrophobicContact CD1-CD1 4.35Å; K165-F171 HydrophobicContact CB-CE2 4.36Å; K165-F171 HydrophobicContact CB-CZ 4.38Å; K165-F171 HydrophobicContact CD-CE1 4.46Å; K165-F171 HydrophobicContact CD-CZ 3.85Å; K165-F171 HydrophobicContact CG-CE2 3.87Å; K165-F171 HydrophobicContact CG-CZ 3.68Å; D167-F171 WeakPolarHBondContact O-CD2 3.39Å; V168-F171 PolarHBondContact O-N 2.81Å; V168-F171 VanDerWaalsContact O-N 3.11Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.83Å; F171-L173 VanDerWaalsContact C-N 3.28Å; F171-L173 PolarHBondContact O-N 3.29Å; F171-G174 PolarHBondContact O-N 3.11Å; F171-K175 PolarHBondContact O-N 3.27Å; F171-Y187 HydrophobicContact CD1-CD2 4.38Å; F171-Y187 HydrophobicContact CE1-CD1 4.28Å; F171-Y187 AromaticContact CE1-CD2 3.81Å; F171-Y187 HydrophobicContact CE1-CD2 3.81Å; F171-Y187 HydrophobicContact CE1-CE1 4.34Å; F171-Y187 AromaticContact CE1-CE2 3.91Å; F171-Y187 HydrophobicContact CE1-CE2 3.91Å; F171-Y187 HydrophobicContact CE1-CG 4.01Å; F171-G198 VanDerWaalsContact CE2-CA 3.45Å; F171-S199 VanDerWaalsContact CZ-N 3.31Å; F171-A202 HydrophobicContact CB-CB 3.37Å; F171-A202 HydrophobicContact CD2-CB 4.31Å; F171-A202 HydrophobicContact CG-CB 3.94Å; F171-W204 HydrophobicContact CB-CZ2 4.4Å; F171-W204 VanDerWaalsContact O-CZ2 3.31Å; F171-W204 WeakPolarHBondContact O-CZ2 3.4Å
172E98.4Very high97.8Very high75 Ų7558.7 Ų58.735%0.3531%0.31SS..Hα-helixtrans-64.1-34.9172.2-75.1-64.8145.400111.8V168 K175 K176V168-E172 HydrophobicContact CG1-CG 4Å; V168-E172 PolarHBondContact O-N 3.34Å; E172-K175 PolarHBondContact O-N 2.99Å; E172-K175 IonicContact OE1-NZ 3.46Å; E172-K175 PolarHBondContact OE1-NZ 3.22Å; E172-K175 VanDerWaalsContact OE2-CD 3.27Å; E172-K175 WeakPolarHBondContact OE2-CD 3.43Å; E172-K175 IonicContact OE2-NZ 2.86Å; E172-K175 PolarHBondContact OE2-NZ 3.18Å; E172-K176 PolarHBondContact O-N 3.43Å; E172-K176 VanDerWaalsContact O-N 3.09Å
173L98.2Very high97.8Very high55 Ų5561 Ų6129%0.28830%0.303SS..Hα-helixtrans-62.3-47170.4-177.965.6000111.2I156 T161 E169 F171 K175 K176 Q177I156-L173 HydrophobicContact CD1-CB 4.39Å; I156-L173 HydrophobicContact CD1-CD2 4.14Å; I156-L173 HydrophobicContact CD1-CG 3.9Å; I156-L173 HydrophobicContact CG2-CD2 4.43Å; T161-L173 HydrophobicContact CG2-CD2 3.41Å; T161-L173 VanDerWaalsContact CG2-CD2 3.41Å; E169-L173 WeakPolarHBondContact O-CB 3.32Å; E169-L173 PolarHBondContact O-N 2.75Å; F171-L173 VanDerWaalsContact C-N 3.28Å; F171-L173 PolarHBondContact O-N 3.29Å; L173-K175 PolarHBondContact O-N 2.88Å; L173-K176 PolarHBondContact O-N 3.02Å; L173-Q177 WeakPolarHBondContact O-CB 3.38Å; L173-Q177 PolarHBondContact O-N 3.37Å
174G98.4Very high97.8Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-57.6-45.2175.700000112.9I170 F171 K176 Q177 F178I170-G174 PolarHBondContact O-N 3.43Å; F171-G174 PolarHBondContact O-N 3.11Å; G174-K176 VanDerWaalsContact C-N 3.31Å; G174-K176 PolarHBondContact O-N 2.91Å; G174-Q177 PolarHBondContact O-N 3.2Å; G174-F178 VanDerWaalsContact O-CB 3.26Å; G174-F178 WeakPolarHBondContact O-CB 3.31Å; G174-F178 VanDerWaalsContact O-CD2 3.22Å; G174-F178 WeakPolarHBondContact O-CD2 3.49Å; G174-F178 WeakPolarHBondContact O-CG 3.39Å; G174-F178 PolarHBondContact O-N 3.01Å
175K97.8Very high97.8Very high74 Ų7451.6 Ų51.632%0.32226%0.263SS..Hα-helixtrans-54.3-47.7173.8168.3-167.1179.5-176.60112.3F171 E172 L173 S179 L180 P182 W204F171-K175 PolarHBondContact O-N 3.27Å; E172-K175 PolarHBondContact O-N 2.99Å; E172-K175 IonicContact OE1-NZ 3.46Å; E172-K175 PolarHBondContact OE1-NZ 3.22Å; E172-K175 VanDerWaalsContact OE2-CD 3.27Å; E172-K175 WeakPolarHBondContact OE2-CD 3.43Å; E172-K175 IonicContact OE2-NZ 2.86Å; E172-K175 PolarHBondContact OE2-NZ 3.18Å; L173-K175 PolarHBondContact O-N 2.88Å; K175-S179 WeakPolarHBondContact O-CA 3.43Å; K175-S179 PolarHBondContact O-N 2.91Å; K175-S179 VanDerWaalsContact O-N 3.13Å; K175-L180 HydrophobicContact CB-CD1 3.93Å; K175-L180 HydrophobicContact CG-CD1 4.31Å; K175-L180 PolarHBondContact O-N 2.78Å; K175-P182 HydrophobicContact CB-CG 4.24Å; K175-P182 HydrophobicContact CD-CG 3.64Å; K175-P182 HydrophobicContact CG-CG 3.93Å; K175-W204 HydrophobicContact CB-CZ2 4.24Å
176K98.2Very high97.8Very high169 Ų16951.4 Ų51.474%0.73526%0.263SS*.Hα-helixtrans-69.3-48180-177.2-177.4175.8-1740112.1E172 L173 G174 S179E172-K176 PolarHBondContact O-N 3.43Å; E172-K176 VanDerWaalsContact O-N 3.09Å; L173-K176 PolarHBondContact O-N 3.02Å; G174-K176 VanDerWaalsContact C-N 3.31Å; G174-K176 PolarHBondContact O-N 2.91Å; K176-S179 PolarHBondContact O-N 3.03Å
177Q98.5Very high97.8Very high80 Ų8049.7 Ų49.737%0.37425%0.251SS..Hα-helixtrans-67.5-46.4-175.2-176.5173-36.700111.3D153 I155 I156 L173 G174 S179D153-Q177 PolarHBondContact O-NE2 2.83Å; I155-Q177 PolarHBondContact O-NE2 3.33Å; I156-Q177 HydrophobicContact CD1-CB 4.29Å; L173-Q177 WeakPolarHBondContact O-CB 3.38Å; L173-Q177 PolarHBondContact O-N 3.37Å; G174-Q177 PolarHBondContact O-N 3.2Å; Q177-S179 VanDerWaalsContact C-N 3.27Å; Q177-S179 PolarHBondContact O-N 2.74Å
178F98.3Very high97.8Very high22 Ų2246.4 Ų46.410%0.09623%0.234CC..THydrogen-bonded Turntrans-84.9-2.4-178.1-46.8-30000112.8V12 I129 N154 I156 G174 L180V12-F178 HydrophobicContact CG1-CE2 4.36Å; V12-F178 HydrophobicContact CG2-CD2 4.46Å; I129-F178 HydrophobicContact CD1-CE2 4.04Å; I129-F178 HydrophobicContact CG1-CE2 3.74Å; I129-F178 HydrophobicContact CG1-CZ 4.14Å; N154-F178 VanDerWaalsContact CA-CE1 3.41Å; N154-F178 HydrophobicContact CB-CD1 4.26Å; N154-F178 HydrophobicContact CB-CE1 4.41Å; I156-F178 HydrophobicContact CB-CZ 4.2Å; I156-F178 HydrophobicContact CD1-CE1 3.98Å; I156-F178 HydrophobicContact CD1-CE2 4.12Å; I156-F178 HydrophobicContact CD1-CZ 3.54Å; I156-F178 HydrophobicContact CG1-CE1 3.97Å; I156-F178 HydrophobicContact CG1-CZ 3.63Å; G174-F178 VanDerWaalsContact O-CB 3.26Å; G174-F178 WeakPolarHBondContact O-CB 3.31Å; G174-F178 VanDerWaalsContact O-CD2 3.22Å; G174-F178 WeakPolarHBondContact O-CD2 3.49Å; G174-F178 WeakPolarHBondContact O-CG 3.39Å; G174-F178 PolarHBondContact O-N 3.01Å; F178-L180 VanDerWaalsContact C-N 3.32Å; F178-L180 HydrophobicContact CB-CD2 3.83Å; F178-L180 HydrophobicContact CB-CG 4.15Å; F178-L180 HydrophobicContact CD2-CD2 3.97Å; F178-L180 HydrophobicContact CG-CD2 4.43Å; F178-L180 PolarHBondContact O-N 3.45Å
179S96.8Very high97.9Very high108 Ų10844 Ų4476%0.75522%0.22SC*.THydrogen-bonded Turntrans5247-179.8-590000113.1K175 K176 Q177K175-S179 WeakPolarHBondContact O-CA 3.43Å; K175-S179 PolarHBondContact O-N 2.91Å; K175-S179 VanDerWaalsContact O-N 3.13Å; K176-S179 PolarHBondContact O-N 3.03Å; Q177-S179 VanDerWaalsContact C-N 3.27Å; Q177-S179 PolarHBondContact O-N 2.74Å
180L96.1Very high97.9Very high21 Ų2139.9 Ų39.911%0.1120%0.201CC..  trans-110165.7-176.359.470.4000112.8T10 V12 K175 F178 P182 S185 W204T10-L180 HydrophobicContact CG2-CB 4.47Å; V12-L180 HydrophobicContact CG2-CD2 3.98Å; K175-L180 HydrophobicContact CB-CD1 3.93Å; K175-L180 HydrophobicContact CG-CD1 4.31Å; K175-L180 PolarHBondContact O-N 2.78Å; F178-L180 VanDerWaalsContact C-N 3.32Å; F178-L180 HydrophobicContact CB-CD2 3.83Å; F178-L180 HydrophobicContact CB-CG 4.15Å; F178-L180 HydrophobicContact CD2-CD2 3.97Å; F178-L180 HydrophobicContact CG-CD2 4.43Å; F178-L180 PolarHBondContact O-N 3.45Å; L180-P182 HydrophobicContact CD1-CG 4.49Å; L180-S185 WeakPolarHBondContact CD1-OG 3.34Å; L180-W204 HydrophobicContact CD1-CH2 3.68Å; L180-W204 HydrophobicContact CD1-CZ2 3.68Å; L180-W204 HydrophobicContact CD1-CZ3 4.24Å; L180-W204 HydrophobicContact CD2-CH2 3.63Å; L180-W204 HydrophobicContact CD2-CZ2 4.44Å; L180-W204 HydrophobicContact CD2-CZ3 3.96Å; L180-W204 HydrophobicContact CG-CH2 4.24Å
181N96.8Very high97.8Very high74 Ų7442.5 Ų42.540%0.39621%0.214SC..  trans-102.3115.4169.7-175.312.8000110E183 N184 S185N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 3.21Å; N181-E183 VanDerWaalsContact O-N 3.14Å; N181-N184 HydrophobicContact CB-CB 4.43Å; N181-N184 PolarHBondContact ND2-OD1 3.19Å; N181-N184 CarbonylContact O-C 3.55Å; N181-N184 PolarHBondContact O-N 3.33Å; N181-S185 PolarHBondContact O-N 3.08Å; N181-S185 PolarHBondContact O-OG 3.17Å
182P96.2Very high97.8Very high9 Ų942.9 Ų42.96%0.05822%0.216CC..G310 helixtrans-47.3-44.5-179.2-34.339.8000114.6K175 L180 N184 S185 G203 W204K175-P182 HydrophobicContact CB-CG 4.24Å; K175-P182 HydrophobicContact CD-CG 3.64Å; K175-P182 HydrophobicContact CG-CG 3.93Å; L180-P182 HydrophobicContact CD1-CG 4.49Å; P182-N184 PolarHBondContact O-N 3.38Å; P182-N184 VanDerWaalsContact O-N 3.15Å; P182-S185 PolarHBondContact O-N 2.87Å; P182-G203 CarbonylContact C-O 3.49Å; P182-W204 HydrophobicContact CB-CD2 4.42Å; P182-W204 HydrophobicContact CB-CG 3.96Å; P182-W204 WeakPolarHBondContact O-CA 3.36Å
183E95.9Very high97.7Very high115 Ų11542.9 Ų42.954%0.53722%0.219SC..G310 helixtrans-62.8-25.1-177.6-63.6-178.7-179.300112.8I6 N181 Q205I6-E183 VanDerWaalsContact CG2-O 3.31Å; I6-E183 WeakPolarHBondContact CG2-O 3.09Å; N181-E183 VanDerWaalsContact C-N 3.27Å; N181-E183 PolarHBondContact O-N 3.21Å; N181-E183 VanDerWaalsContact O-N 3.14Å; E183-Q205 PolarHBondContact O-NE2 3.32Å
184N96.9Very high97.7Very high24 Ų2442.4 Ų42.413%0.12822%0.217CC..G310 helixtrans-105.29.7177.8-58.993.9000112.5L7 E9 T10 N181 P182L7-N184 WeakPolarHBondContact O-CB 3.44Å; L7-N184 PolarHBondContact O-ND2 3.32Å; E9-N184 HydrophobicContact CB-CB 4.16Å; E9-N184 HydrophobicContact CG-CB 4.01Å; E9-N184 PolarHBondContact N-O 3.17Å; T10-N184 PolarHBondContact N-O 3.08Å; N181-N184 HydrophobicContact CB-CB 4.43Å; N181-N184 PolarHBondContact ND2-OD1 3.19Å; N181-N184 CarbonylContact O-C 3.55Å; N181-N184 PolarHBondContact O-N 3.33Å; P182-N184 PolarHBondContact O-N 3.38Å; P182-N184 VanDerWaalsContact O-N 3.15Å
185S98Very high97.7Very high0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-112.9125.3-178-66.20000110.9T10 L180 N181 P182 Q205T10-S185 WeakPolarHBondContact OG1-CB 3.35Å; T10-S185 PolarHBondContact OG1-OG 2.98Å; L180-S185 WeakPolarHBondContact CD1-OG 3.34Å; N181-S185 PolarHBondContact O-N 3.08Å; N181-S185 PolarHBondContact O-OG 3.17Å; P182-S185 PolarHBondContact O-N 2.87Å; S185-Q205 PolarHBondContact O-N 3Å
186L98.5Very high97.7Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-95.6114.6177.1-17163.2000110.4I8 T10 V11 V12 V188 Q205 L207 I226 F238 I241I8-L186 HydrophobicContact CD1-CB 3.96Å; I8-L186 HydrophobicContact CD1-CD1 4.45Å; I8-L186 HydrophobicContact CG1-CB 4.39Å; I8-L186 HydrophobicContact CG2-CB 3.89Å; T10-L186 PolarHBondContact O-N 2.73Å; V11-L186 WeakPolarHBondContact CA-O 3.5Å; V12-L186 PolarHBondContact N-O 3.47Å; L186-V188 HydrophobicContact CD2-CG2 4.47Å; L186-V188 HydrophobicContact CG-CG2 4.35Å; L186-Q205 HydrophobicContact CD1-CB 3.85Å; L186-L207 HydrophobicContact CD1-CB 3.97Å; L186-L207 HydrophobicContact CD2-CB 4.11Å; L186-L207 HydrophobicContact CD2-CD1 4.1Å; L186-L207 HydrophobicContact CG-CB 4.08Å; L186-I226 HydrophobicContact CD2-CD1 4.39Å; L186-F238 HydrophobicContact CD2-CE1 3.98Å; L186-F238 HydrophobicContact CD2-CZ 4.05Å; L186-I241 HydrophobicContact CD2-CD1 4.06Å
187Y98.8Very high97.7Very high0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans-86.3126.3169.4-165.3-92.7000110.7V12 D14 I129 K165 F171 D195 Q205 S206 L207V12-Y187 HydrophobicContact CB-CD2 3.95Å; V12-Y187 HydrophobicContact CB-CE2 4.35Å; V12-Y187 HydrophobicContact CG1-CD2 3.84Å; V12-Y187 HydrophobicContact CG1-CE2 3.76Å; V12-Y187 CarbonylContact O-C 3.6Å; V12-Y187 WeakPolarHBondContact O-CA 3.29Å; D14-Y187 HydrophobicContact CB-CE1 4.48Å; I129-Y187 HydrophobicContact CB-CE2 3.95Å; I129-Y187 HydrophobicContact CD1-CE2 4.3Å; I129-Y187 HydrophobicContact CG1-CE2 4.43Å; I129-Y187 PolarHBondContact O-OH 3.03Å; K165-Y187 HydrophobicContact CD-CE1 4.32Å; K165-Y187 VanDerWaalsContact CD-OH 3.25Å; K165-Y187 WeakPolarHBondContact CD-OH 3.46Å; K165-Y187 WeakPolarHBondContact CE-OH 3.42Å; K165-Y187 PolarHBondContact NZ-OH 2.99Å; F171-Y187 HydrophobicContact CD1-CD2 4.38Å; F171-Y187 HydrophobicContact CE1-CD1 4.28Å; F171-Y187 AromaticContact CE1-CD2 3.81Å; F171-Y187 HydrophobicContact CE1-CD2 3.81Å; F171-Y187 HydrophobicContact CE1-CE1 4.34Å; F171-Y187 AromaticContact CE1-CE2 3.91Å; F171-Y187 HydrophobicContact CE1-CE2 3.91Å; F171-Y187 HydrophobicContact CE1-CG 4.01Å; Y187-D195 HydrophobicContact CD1-CB 3.93Å; Y187-D195 HydrophobicContact CE1-CB 3.54Å; Y187-D195 WeakPolarHBondContact CE1-OD1 3.11Å; Y187-Q205 PolarHBondContact N-O 3.19Å; Y187-S206 WeakPolarHBondContact O-CA 3.47Å; Y187-L207 PolarHBondContact O-N 3.41Å
188V98.9Very high97.6Very high0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-112.8121.7-178.1-176.70000109.1V11 V12 F13 D14 T18 L186 L207 F238V11-V188 HydrophobicContact CG1-CG2 3.74Å; V12-V188 PolarHBondContact O-N 3.25Å; F13-V188 HydrophobicContact CD1-CB 3.59Å; F13-V188 HydrophobicContact CD1-CG1 3.66Å; F13-V188 HydrophobicContact CD1-CG2 4.12Å; F13-V188 HydrophobicContact CE1-CB 3.8Å; F13-V188 HydrophobicContact CE1-CG1 3.64Å; F13-V188 HydrophobicContact CE1-CG2 3.89Å; F13-V188 HydrophobicContact CG-CB 4.22Å; F13-V188 HydrophobicContact CZ-CG2 4.21Å; D14-V188 PolarHBondContact N-O 3.36Å; T18-V188 HydrophobicContact CG2-CG1 4.07Å; L186-V188 HydrophobicContact CD2-CG2 4.47Å; L186-V188 HydrophobicContact CG-CG2 4.35Å; V188-L207 HydrophobicContact CG1-CD2 4.11Å; V188-L207 HydrophobicContact CG2-CB 4.21Å; V188-L207 HydrophobicContact CG2-CD1 4.48Å; V188-F238 HydrophobicContact CG2-CZ 3.86Å
189G98.8Very high97.6Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-161.7162.3177.600000113.8T18 D195 L207 L209T18-G189 WeakPolarHBondContact OG1-CA 3.11Å; G189-D195 WeakPolarHBondContact CA-OD2 3.34Å; G189-L207 PolarHBondContact N-O 3.34Å; G189-L209 PolarHBondContact O-N 3.47Å
190D98.3Very high97.7Very high12 Ų1224.8 Ų24.86%0.06413%0.126CC..SBendtrans-88.7-23.9-17786.7-59.9000113.3D17 T18 D195 W208 L209 R214D17-D190 HydrophobicContact CB-CB 4.22Å; T18-D190 PolarHBondContact OG1-N 3.12Å; T18-D190 VanDerWaalsContact OG1-N 3.15Å; D190-D195 PolarHBondContact N-OD2 3.31Å; D190-W208 PolarHBondContact O-NE1 3.13Å; D190-L209 WeakPolarHBondContact CA-O 3.39Å; D190-R214 IonicContact OD2-CZ 3.89Å; D190-R214 IonicContact OD2-NE 2.69Å; D190-R214 IonicContact OD2-NH1 3.49Å; D190-R214 PolarHBondContact OD2-NH1 3.01Å; D190-R214 IonicContact OD2-NH2 3.01Å; D190-R214 PolarHBondContact OD2-NH2 3.23Å
191N97.5Very high97.7Very high54 Ų5432 Ų3229%0.28915%0.152SC..  trans-97.8110.7-168.5-172-50000110.8N193 N194 D195 V196N191-N193 VanDerWaalsContact C-N 3.28Å; N191-N193 PolarHBondContact O-N 2.73Å; N191-N193 PolarHBondContact OD1-N 2.8Å; N191-N194 HydrophobicContact CB-CB 4.12Å; N191-N194 PolarHBondContact O-N 3.36Å; N191-N194 PolarHBondContact OD1-N 2.96Å; N191-D195 WeakPolarHBondContact CA-OD2 3.37Å; N191-D195 VanDerWaalsContact CB-OD2 3.3Å; N191-D195 WeakPolarHBondContact CB-OD2 3.29Å; N191-D195 PolarHBondContact N-OD2 2.7Å; N191-D195 WeakPolarHBondContact O-CA 3Å; N191-D195 WeakPolarHBondContact O-CB 3.34Å; N191-D195 PolarHBondContact O-N 3.39Å; N191-V196 PolarHBondContact O-N 3.41Å
192F97.9Very high97.8Very high8 Ų829 Ų294%0.03514%0.136CC..Iπ-helixtrans-58-39-177.7-165.1-89.8000113.5V196 I197 W208 L216 P217 T220 S221 I223F192-V196 HydrophobicContact CD2-CB 3.93Å; F192-V196 HydrophobicContact CD2-CG1 4.1Å; F192-V196 HydrophobicContact CD2-CG2 3.91Å; F192-V196 HydrophobicContact CE2-CB 4.11Å; F192-V196 HydrophobicContact CE2-CG1 3.75Å; F192-V196 HydrophobicContact CE2-CG2 4.35Å; F192-V196 HydrophobicContact CG-CB 4.24Å; F192-V196 HydrophobicContact CG-CG2 4.44Å; F192-V196 HydrophobicContact CZ-CG1 4.07Å; F192-V196 VanDerWaalsContact O-CB 3.31Å; F192-V196 WeakPolarHBondContact O-CB 3.46Å; F192-V196 PolarHBondContact O-N 2.92Å; F192-I197 HydrophobicContact CD1-CD1 4.01Å; F192-I197 HydrophobicContact CD1-CG1 4Å; F192-I197 HydrophobicContact CE1-CD1 4Å; F192-I197 HydrophobicContact CE1-CG1 3.83Å; F192-I197 WeakPolarHBondContact O-CG1 3.49Å; F192-I197 PolarHBondContact O-N 3.02Å; F192-W208 HydrophobicContact CB-CZ2 4.08Å; F192-W208 AromaticContact CD2-CD2 3.78Å; F192-W208 HydrophobicContact CD2-CD2 3.78Å; F192-W208 AromaticContact CD2-CE2 3.9Å; F192-W208 AromaticContact CD2-CE3 3.82Å; F192-W208 HydrophobicContact CD2-CE3 3.82Å; F192-W208 HydrophobicContact CD2-CG 4.37Å; F192-W208 HydrophobicContact CD2-CH2 4.08Å; F192-W208 HydrophobicContact CD2-CZ2 4.04Å; F192-W208 AromaticContact CD2-CZ3 3.99Å; F192-W208 HydrophobicContact CD2-CZ3 3.99Å; F192-W208 HydrophobicContact CE2-CD2 4.5Å; F192-W208 HydrophobicContact CE2-CE3 4.18Å; F192-W208 HydrophobicContact CE2-CZ3 4.34Å; F192-W208 HydrophobicContact CG-CZ2 4.48Å; F192-L216 HydrophobicContact CD1-CD2 4.26Å; F192-L216 HydrophobicContact CD2-CD2 3.55Å; F192-L216 HydrophobicContact CE1-CD2 3.96Å; F192-L216 HydrophobicContact CE2-CD2 3.2Å; F192-L216 HydrophobicContact CG-CD2 4.06Å; F192-L216 HydrophobicContact CZ-CD2 3.42Å; F192-L216 VanDerWaalsContact CZ-CD2 3.42Å; F192-P217 HydrophobicContact CB-CG 4.42Å; F192-P217 VanDerWaalsContact CD1-CD 3.46Å; F192-P217 HydrophobicContact CD1-CG 3.76Å; F192-P217 HydrophobicContact CG-CG 4.43Å; F192-T220 HydrophobicContact CE1-CG2 4.41Å; F192-S221 WeakPolarHBondContact CZ-O 3.44Å; F192-I223 HydrophobicContact CZ-CG1 3.98Å
193N96.3Very high97.8Very high75 Ų7530.4 Ų30.440%0.40115%0.153SC..Iπ-helixtrans-72.6-54.3-179.8-75.6-27.3000111.1P166 N191 I197 G198 P217P166-N193 VanDerWaalsContact CB-O 3.27Å; P166-N193 WeakPolarHBondContact CB-O 3.5Å; N191-N193 VanDerWaalsContact C-N 3.28Å; N191-N193 PolarHBondContact O-N 2.73Å; N191-N193 PolarHBondContact OD1-N 2.8Å; N193-I197 WeakPolarHBondContact O-CB 3.48Å; N193-I197 WeakPolarHBondContact OD1-CD1 3.49Å; N193-G198 PolarHBondContact O-N 3.23Å; N193-P217 WeakPolarHBondContact OD1-CG 3.5Å
194N97.9Very high97.9Very high46 Ų4625 Ų2525%0.24613%0.128CC..Iπ-helixtrans-70.1-49-174.1-68-1.2000111.2K165 N191 G198K165-N194 HydrophobicContact CB-CB 3.78Å; K165-N194 WeakPolarHBondContact CB-O 3.43Å; K165-N194 PolarHBondContact O-OD1 3.08Å; N191-N194 HydrophobicContact CB-CB 4.12Å; N191-N194 PolarHBondContact O-N 3.36Å; N191-N194 PolarHBondContact OD1-N 2.96Å; N194-G198 WeakPolarHBondContact O-CA 3.47Å; N194-G198 PolarHBondContact O-N 3.31Å
195D98.6Very high97.9Very high1 Ų124.4 Ų24.41%0.00512%0.124CC..Iπ-helixtrans-89.9-52.9-167.3-55-36.1000111K165 Y187 G189 D190 N191 S199K165-D195 WeakPolarHBondContact CD-OD1 3.4Å; K165-D195 WeakPolarHBondContact CE-OD1 3.46Å; K165-D195 IonicContact NZ-OD1 2.72Å; K165-D195 PolarHBondContact NZ-OD1 2.98Å; Y187-D195 HydrophobicContact CD1-CB 3.93Å; Y187-D195 HydrophobicContact CE1-CB 3.54Å; Y187-D195 WeakPolarHBondContact CE1-OD1 3.11Å; G189-D195 WeakPolarHBondContact CA-OD2 3.34Å; D190-D195 PolarHBondContact N-OD2 3.31Å; N191-D195 WeakPolarHBondContact CA-OD2 3.37Å; N191-D195 VanDerWaalsContact CB-OD2 3.3Å; N191-D195 WeakPolarHBondContact CB-OD2 3.29Å; N191-D195 PolarHBondContact N-OD2 2.7Å; N191-D195 WeakPolarHBondContact O-CA 3Å; N191-D195 WeakPolarHBondContact O-CB 3.34Å; N191-D195 PolarHBondContact O-N 3.39Å; D195-S199 WeakPolarHBondContact O-CB 3.45Å; D195-S199 PolarHBondContact O-N 2.86Å; D195-S199 PolarHBondContact O-OG 3.19Å
196V98.4Very high97.9Very high0 Ų024.4 Ų24.40%012%0.124CC..Iπ-helixtrans-73.8-58.3-175.4-177.70000110.7N191 F192 G198 S199 K200 S206 W208 I223 Q224N191-V196 PolarHBondContact O-N 3.41Å; F192-V196 HydrophobicContact CD2-CB 3.93Å; F192-V196 HydrophobicContact CD2-CG1 4.1Å; F192-V196 HydrophobicContact CD2-CG2 3.91Å; F192-V196 HydrophobicContact CE2-CB 4.11Å; F192-V196 HydrophobicContact CE2-CG1 3.75Å; F192-V196 HydrophobicContact CE2-CG2 4.35Å; F192-V196 HydrophobicContact CG-CB 4.24Å; F192-V196 HydrophobicContact CG-CG2 4.44Å; F192-V196 HydrophobicContact CZ-CG1 4.07Å; F192-V196 VanDerWaalsContact O-CB 3.31Å; F192-V196 WeakPolarHBondContact O-CB 3.46Å; F192-V196 PolarHBondContact O-N 2.92Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.45Å; V196-S199 PolarHBondContact O-OG 3.41Å; V196-K200 HydrophobicContact CG1-CG 4.31Å; V196-K200 WeakPolarHBondContact O-CB 3.33Å; V196-K200 WeakPolarHBondContact O-CG 3.34Å; V196-K200 PolarHBondContact O-N 3.41Å; V196-S206 WeakPolarHBondContact CA-OG 3.37Å; V196-W208 HydrophobicContact CG2-CB 3.67Å; V196-W208 HydrophobicContact CG2-CG 3.81Å; V196-I223 HydrophobicContact CG1-CD1 4.3Å; V196-I223 HydrophobicContact CG1-CG1 3.81Å; V196-Q224 HydrophobicContact CG1-CB 3.75Å; V196-Q224 HydrophobicContact CG2-CB 4.45Å
197I97.6Very high97.9Very high21 Ų2124.4 Ų24.411%0.10812%0.124CC..Iπ-helixtrans-62.4-43-179.8-64.3174.9000110.7F192 N193 R201 T220 I223F192-I197 HydrophobicContact CD1-CD1 4.01Å; F192-I197 HydrophobicContact CD1-CG1 4Å; F192-I197 HydrophobicContact CE1-CD1 4Å; F192-I197 HydrophobicContact CE1-CG1 3.83Å; F192-I197 WeakPolarHBondContact O-CG1 3.49Å; F192-I197 PolarHBondContact O-N 3.02Å; N193-I197 WeakPolarHBondContact O-CB 3.48Å; N193-I197 WeakPolarHBondContact OD1-CD1 3.49Å; I197-R201 HydrophobicContact CG2-CG 4.22Å; I197-R201 VanDerWaalsContact CG2-NE 3.33Å; I197-R201 WeakPolarHBondContact O-CB 3.25Å; I197-R201 WeakPolarHBondContact O-CG 3.4Å; I197-R201 PolarHBondContact O-N 3.46Å; I197-T220 HydrophobicContact CD1-CG2 4.01Å; I197-I223 HydrophobicContact CG1-CD1 4Å
198G97.9Very high97.9Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-57.6-55.9178.300000112.7F171 N193 N194 V196 K200 R201 A202F171-G198 VanDerWaalsContact CE2-CA 3.45Å; N193-G198 PolarHBondContact O-N 3.23Å; N194-G198 WeakPolarHBondContact O-CA 3.47Å; N194-G198 PolarHBondContact O-N 3.31Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.45Å; G198-K200 PolarHBondContact O-N 2.58Å; G198-R201 PolarHBondContact O-N 2.88Å; G198-A202 PolarHBondContact O-N 2.95Å
199S98.3Very high97.9Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-64.4-43.3-178.264.20000112.4F171 D195 V196 R201 A202 G203 W204 S206F171-S199 VanDerWaalsContact CZ-N 3.31Å; D195-S199 WeakPolarHBondContact O-CB 3.45Å; D195-S199 PolarHBondContact O-N 2.86Å; D195-S199 PolarHBondContact O-OG 3.19Å; V196-S199 PolarHBondContact O-OG 3.41Å; S199-R201 VanDerWaalsContact C-N 3.34Å; S199-R201 PolarHBondContact O-N 3.37Å; S199-A202 CarbonylContact O-C 3.52Å; S199-A202 PolarHBondContact O-N 3.41Å; S199-A202 VanDerWaalsContact O-N 3.12Å; S199-G203 PolarHBondContact O-N 3.23Å; S199-W204 WeakPolarHBondContact O-CB 3.25Å; S199-W204 PolarHBondContact O-N 3.44Å; S199-S206 WeakPolarHBondContact OG-CB 3.46Å; S199-S206 PolarHBondContact OG-OG 3.39Å
200K97.6Very high97.8Very high61 Ų6124.8 Ų24.827%0.26513%0.126SC..Hα-helixtrans-63.1-38.3177.7-66.2-56.3-62.9-179.40112.2V196 G198 A202 G203 W204 I223 D225V196-K200 HydrophobicContact CG1-CG 4.31Å; V196-K200 WeakPolarHBondContact O-CB 3.33Å; V196-K200 WeakPolarHBondContact O-CG 3.34Å; V196-K200 PolarHBondContact O-N 3.41Å; G198-K200 PolarHBondContact O-N 2.58Å; K200-A202 VanDerWaalsContact C-N 3.25Å; K200-A202 PolarHBondContact O-N 2.85Å; K200-G203 PolarHBondContact O-N 3.16Å; K200-G203 VanDerWaalsContact O-N 3.09Å; K200-W204 WeakPolarHBondContact CD-O 3.44Å; K200-W204 PolarHBondContact NZ-O 3.41Å; K200-I223 HydrophobicContact CB-CD1 4.01Å; K200-I223 WeakPolarHBondContact CD-O 3.19Å; K200-I223 WeakPolarHBondContact CE-O 3.3Å; K200-I223 HydrophobicContact CG-CB 4.49Å; K200-I223 HydrophobicContact CG-CD1 4.02Å; K200-I223 HydrophobicContact CG-CG1 4.13Å; K200-D225 VanDerWaalsContact NZ-CG 3.27Å; K200-D225 IonicContact NZ-OD1 2.79Å; K200-D225 PolarHBondContact NZ-OD1 3.38Å; K200-D225 IonicContact NZ-OD2 2.82Å; K200-D225 PolarHBondContact NZ-OD2 3.46Å
201R97.3Very high97.8Very high173 Ų17325.8 Ų25.865%0.65313%0.13SC*.Hα-helixtrans-64.6-31175.5-78.3176.7176.2177.61.2112.7V168 I197 G198 S199 G203V168-R201 HydrophobicContact CG2-CB 3.76Å; I197-R201 HydrophobicContact CG2-CG 4.22Å; I197-R201 VanDerWaalsContact CG2-NE 3.33Å; I197-R201 WeakPolarHBondContact O-CB 3.25Å; I197-R201 WeakPolarHBondContact O-CG 3.4Å; I197-R201 PolarHBondContact O-N 3.46Å; G198-R201 PolarHBondContact O-N 2.88Å; S199-R201 VanDerWaalsContact C-N 3.34Å; S199-R201 PolarHBondContact O-N 3.37Å; R201-G203 VanDerWaalsContact C-N 3.26Å; R201-G203 PolarHBondContact O-N 2.85Å
202A97.6Very high97.6Very high9 Ų924.8 Ų24.87%0.07412%0.123CC..THydrogen-bonded Turntrans-833.1174.500000113.8V168 F171 G198 S199 K200V168-A202 HydrophobicContact CG1-CB 4.03Å; F171-A202 HydrophobicContact CB-CB 3.37Å; F171-A202 HydrophobicContact CD2-CB 4.31Å; F171-A202 HydrophobicContact CG-CB 3.94Å; G198-A202 PolarHBondContact O-N 2.95Å; S199-A202 CarbonylContact O-C 3.52Å; S199-A202 PolarHBondContact O-N 3.41Å; S199-A202 VanDerWaalsContact O-N 3.12Å; K200-A202 VanDerWaalsContact C-N 3.25Å; K200-A202 PolarHBondContact O-N 2.85Å
203G96.8Very high97.4Very high40 Ų4029.8 Ų29.841%0.41215%0.149SC..THydrogen-bonded Turntrans8215.2179.100000115.2P182 S199 K200 R201P182-G203 CarbonylContact C-O 3.49Å; S199-G203 PolarHBondContact O-N 3.23Å; K200-G203 PolarHBondContact O-N 3.16Å; K200-G203 VanDerWaalsContact O-N 3.09Å; R201-G203 VanDerWaalsContact C-N 3.26Å; R201-G203 PolarHBondContact O-N 2.85Å
204W97.7Very high97.2Very high2 Ų229.5 Ų29.51%0.00814%0.143CC..  trans-83.9162.9179.1-63.651.6000111.6V12 I129 F171 K175 L180 P182 S199 K200V12-W204 HydrophobicContact CB-CZ3 3.95Å; V12-W204 HydrophobicContact CG1-CZ3 4.47Å; V12-W204 HydrophobicContact CG2-CH2 4.1Å; V12-W204 HydrophobicContact CG2-CZ3 3.55Å; I129-W204 HydrophobicContact CD1-CH2 4.21Å; F171-W204 HydrophobicContact CB-CZ2 4.4Å; F171-W204 VanDerWaalsContact O-CZ2 3.31Å; F171-W204 WeakPolarHBondContact O-CZ2 3.4Å; K175-W204 HydrophobicContact CB-CZ2 4.24Å; L180-W204 HydrophobicContact CD1-CH2 3.68Å; L180-W204 HydrophobicContact CD1-CZ2 3.68Å; L180-W204 HydrophobicContact CD1-CZ3 4.24Å; L180-W204 HydrophobicContact CD2-CH2 3.63Å; L180-W204 HydrophobicContact CD2-CZ2 4.44Å; L180-W204 HydrophobicContact CD2-CZ3 3.96Å; L180-W204 HydrophobicContact CG-CH2 4.24Å; P182-W204 HydrophobicContact CB-CD2 4.42Å; P182-W204 HydrophobicContact CB-CG 3.96Å; P182-W204 WeakPolarHBondContact O-CA 3.36Å; S199-W204 WeakPolarHBondContact O-CB 3.25Å; S199-W204 PolarHBondContact O-N 3.44Å; K200-W204 WeakPolarHBondContact CD-O 3.44Å; K200-W204 PolarHBondContact NZ-O 3.41Å
205Q97.5Very high97Very high10 Ų1035.4 Ų35.45%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-80148.9159.5-64.3-166.554.600109.9I6 I8 E183 S185 L186 Y187 D225I6-Q205 PolarHBondContact O-NE2 2.79Å; I8-Q205 HydrophobicContact CD1-CB 3.93Å; I8-Q205 HydrophobicContact CD1-CG 4.02Å; E183-Q205 PolarHBondContact O-NE2 3.32Å; S185-Q205 PolarHBondContact O-N 3Å; L186-Q205 HydrophobicContact CD1-CB 3.85Å; Y187-Q205 PolarHBondContact N-O 3.19Å; Q205-D225 WeakPolarHBondContact CA-OD2 3.48Å
206S98.1Very high96.8Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-132.1130.1-175.7-170.70000112.3Y187 V196 S199 D225 I226Y187-S206 WeakPolarHBondContact O-CA 3.47Å; V196-S206 WeakPolarHBondContact CA-OG 3.37Å; S199-S206 WeakPolarHBondContact OG-CB 3.46Å; S199-S206 PolarHBondContact OG-OG 3.39Å; S206-D225 PolarHBondContact N-OD2 3.37Å; S206-D225 PolarHBondContact O-N 2.98Å; S206-I226 PolarHBondContact O-N 2.91Å
207L98.3Very high96.4Very high0 Ų039.6 Ų39.60%019%0.193CC..EExtended strand (participates in β ladder)trans-108.1117.9167.2-173165.6000108.5L186 Y187 V188 G189 L209 I226 L228 F238L186-L207 HydrophobicContact CD1-CB 3.97Å; L186-L207 HydrophobicContact CD2-CB 4.11Å; L186-L207 HydrophobicContact CD2-CD1 4.1Å; L186-L207 HydrophobicContact CG-CB 4.08Å; Y187-L207 PolarHBondContact O-N 3.41Å; V188-L207 HydrophobicContact CG1-CD2 4.11Å; V188-L207 HydrophobicContact CG2-CB 4.21Å; V188-L207 HydrophobicContact CG2-CD1 4.48Å; G189-L207 PolarHBondContact N-O 3.34Å; L207-L209 HydrophobicContact CD2-CB 4.27Å; L207-I226 CarbonylContact C-O 3.58Å; L207-I226 WeakPolarHBondContact CA-O 3.48Å; L207-I226 HydrophobicContact CB-CB 4.2Å; L207-I226 HydrophobicContact CD1-CB 4.34Å; L207-I226 HydrophobicContact CD1-CD1 4.37Å; L207-I226 HydrophobicContact CD1-CG2 4.04Å; L207-I226 HydrophobicContact CG-CB 3.88Å; L207-I226 HydrophobicContact CG-CG2 3.82Å; L207-L228 HydrophobicContact CD1-CD1 4Å; L207-L228 HydrophobicContact CD1-CG 4.35Å; L207-L228 HydrophobicContact CD2-CB 4.45Å; L207-L228 HydrophobicContact CD2-CD1 3.95Å; L207-L228 HydrophobicContact CD2-CG 3.9Å; L207-L228 HydrophobicContact CG-CD1 4.4Å; L207-L228 HydrophobicContact CG-CG 4.32Å; L207-F238 HydrophobicContact CD1-CE2 4.19Å; L207-F238 HydrophobicContact CD1-CZ 4.27Å
208W98.6Very high96Very high3 Ų348.9 Ų48.91%0.01123%0.232CC..EExtended strand (participates in β ladder)trans-90.2110.5173.8-173.424.6000110.9D190 F192 V196 N210 R214 L216 Q224 I226 E227 L228D190-W208 PolarHBondContact O-NE1 3.13Å; F192-W208 HydrophobicContact CB-CZ2 4.08Å; F192-W208 AromaticContact CD2-CD2 3.78Å; F192-W208 HydrophobicContact CD2-CD2 3.78Å; F192-W208 AromaticContact CD2-CE2 3.9Å; F192-W208 AromaticContact CD2-CE3 3.82Å; F192-W208 HydrophobicContact CD2-CE3 3.82Å; F192-W208 HydrophobicContact CD2-CG 4.37Å; F192-W208 HydrophobicContact CD2-CH2 4.08Å; F192-W208 HydrophobicContact CD2-CZ2 4.04Å; F192-W208 AromaticContact CD2-CZ3 3.99Å; F192-W208 HydrophobicContact CD2-CZ3 3.99Å; F192-W208 HydrophobicContact CE2-CD2 4.5Å; F192-W208 HydrophobicContact CE2-CE3 4.18Å; F192-W208 HydrophobicContact CE2-CZ3 4.34Å; F192-W208 HydrophobicContact CG-CZ2 4.48Å; V196-W208 HydrophobicContact CG2-CB 3.67Å; V196-W208 HydrophobicContact CG2-CG 3.81Å; W208-N210 HydrophobicContact CD2-CB 3.74Å; W208-N210 HydrophobicContact CE3-CB 4.1Å; W208-N210 HydrophobicContact CG-CB 4.21Å; W208-N210 HydrophobicContact CH2-CB 4.28Å; W208-N210 WeakPolarHBondContact CH2-ND2 3.45Å; W208-N210 HydrophobicContact CZ2-CB 3.92Å; W208-N210 WeakPolarHBondContact CZ2-ND2 3.28Å; W208-N210 WeakPolarHBondContact CZ2-OD1 3.27Å; W208-N210 HydrophobicContact CZ3-CB 4.34Å; W208-N210 WeakPolarHBondContact CZ3-ND2 3.34Å; W208-N210 PolarHBondContact O-N 3.41Å; W208-R214 WeakPolarHBondContact CH2-O 3.47Å; W208-R214 HydrophobicContact CZ2-CB 4.1Å; W208-L216 HydrophobicContact CH2-CD2 3.89Å; W208-L216 HydrophobicContact CH2-CG 4.43Å; W208-L216 HydrophobicContact CZ3-CD2 3.74Å; W208-L216 HydrophobicContact CZ3-CG 4.43Å; W208-Q224 HydrophobicContact CB-CB 4.11Å; W208-Q224 HydrophobicContact CB-CG 4.01Å; W208-I226 PolarHBondContact N-O 3.22Å; W208-E227 HydrophobicContact CE3-CG 3.84Å; W208-E227 HydrophobicContact CZ3-CG 4.46Å; W208-E227 WeakPolarHBondContact CZ3-OE1 3.49Å; W208-E227 WeakPolarHBondContact O-CA 3.27Å; W208-L228 PolarHBondContact O-N 3.05Å
209L98.7Very high95.6Very high0 Ų053.1 Ų53.10%028%0.277CS..EExtended strand (participates in β ladder)trans-85.979.6173.2-174.161.3000109.8G189 D190 L207 H211 L228 F231 L234G189-L209 PolarHBondContact O-N 3.47Å; D190-L209 WeakPolarHBondContact CA-O 3.39Å; L207-L209 HydrophobicContact CD2-CB 4.27Å; L209-H211 PolarHBondContact O-N 3.07Å; L209-H211 VanDerWaalsContact O-N 3.08Å; L209-L228 CarbonylContact C-O 3.53Å; L209-L228 HydrophobicContact CD1-CB 3.9Å; L209-L228 HydrophobicContact CD1-CD1 4.47Å; L209-F231 HydrophobicContact CD2-CD1 3.95Å; L209-F231 HydrophobicContact CD2-CE1 3.59Å; L209-F231 HydrophobicContact CD2-CZ 3.99Å; L209-L234 HydrophobicContact CD1-CD1 4.39Å; L209-L234 HydrophobicContact CD1-CD2 4.25Å; L209-L234 HydrophobicContact CD1-CG 4.19Å; L209-L234 HydrophobicContact CD2-CD1 4.1Å
210N97.8Very high95.2Very high6 Ų655.5 Ų55.53%0.03229%0.291CS..  trans-84.448.3-176.9-16514.8000113.5W208 R212 N213 R214 E227 L228W208-N210 HydrophobicContact CD2-CB 3.74Å; W208-N210 HydrophobicContact CE3-CB 4.1Å; W208-N210 HydrophobicContact CG-CB 4.21Å; W208-N210 HydrophobicContact CH2-CB 4.28Å; W208-N210 WeakPolarHBondContact CH2-ND2 3.45Å; W208-N210 HydrophobicContact CZ2-CB 3.92Å; W208-N210 WeakPolarHBondContact CZ2-ND2 3.28Å; W208-N210 WeakPolarHBondContact CZ2-OD1 3.27Å; W208-N210 HydrophobicContact CZ3-CB 4.34Å; W208-N210 WeakPolarHBondContact CZ3-ND2 3.34Å; W208-N210 PolarHBondContact O-N 3.41Å; N210-R212 PolarHBondContact O-N 3.01Å; N210-R212 VanDerWaalsContact O-N 3.08Å; N210-N213 PolarHBondContact O-N 2.85Å; N210-N213 VanDerWaalsContact O-N 3.09Å; N210-R214 PolarHBondContact ND2-O 2.94Å; N210-R214 VanDerWaalsContact ND2-O 3.11Å; N210-R214 WeakPolarHBondContact OD1-CA 3.32Å; N210-R214 VanDerWaalsContact OD1-CB 3.31Å; N210-R214 WeakPolarHBondContact OD1-CB 3.04Å; N210-R214 PolarHBondContact OD1-N 2.54Å; N210-E227 HydrophobicContact CB-CG 4.3Å; N210-E227 PolarHBondContact ND2-OE1 3.05Å; N210-L228 CarbonylContact C-O 3.42Å; N210-L228 WeakPolarHBondContact CA-O 3.34Å; N210-L228 PolarHBondContact N-O 3.48Å
211H96.5Very high94.9Very high33 Ų3356.4 Ų56.415%0.15331%0.305CS..THydrogen-bonded Turntrans-66.2-12.2-175.97089.2000114.8D17 L209 T229 F231D17-H211 VanDerWaalsContact CG-CE1 3.5Å; D17-H211 VanDerWaalsContact CG-NE2 3.29Å; D17-H211 PolarHBondContact O-CD2 3.18Å; D17-H211 PolarHBondContact O-NE2 3.31Å; D17-H211 IonicContact OD1-CE1 3.08Å; D17-H211 PolarHBondContact OD1-CE1 3.13Å; D17-H211 VanDerWaalsContact OD1-CE1 3.32Å; D17-H211 IonicContact OD1-NE2 2.76Å; D17-H211 PolarHBondContact OD1-NE2 3.12Å; D17-H211 IonicContact OD2-CE1 2.75Å; D17-H211 PolarHBondContact OD2-CE1 3.21Å; D17-H211 IonicContact OD2-NE2 3.75Å; D17-H211 PolarHBondContact OD2-NE2 3.14Å; L209-H211 PolarHBondContact O-N 3.07Å; L209-H211 VanDerWaalsContact O-N 3.08Å; H211-T229 WeakPolarHBondContact CA-O 3.46Å; H211-F231 HydrophobicContact CB-CD2 4.19Å; H211-F231 HydrophobicContact CB-CE2 4.12Å; H211-F231 AromaticContact CD2-CE2 3.59Å; H211-F231 AromaticContact CD2-CZ 3.85Å; H211-F231 AromaticContact CE1-CE2 3.77Å; H211-F231 AromaticContact CG-CE2 3.57Å; H211-F231 AromaticContact ND1-CE2 3.73Å; H211-F231 AromaticContact NE2-CE2 3.7Å; H211-F231 AromaticContact NE2-CZ 3.82Å
212R94Very high94.6Very high33 Ų3354.5 Ų54.513%0.12530%0.303CS..THydrogen-bonded Turntrans-99.410.2174.8-57-162.4-176-87-1.9114.6D17 D21 N210 R214D17-R212 IonicContact OD1-CZ 3.91Å; D17-R212 IonicContact OD1-NE 3.39Å; D17-R212 PolarHBondContact OD1-NE 3.1Å; D17-R212 IonicContact OD1-NH2 2.74Å; D17-R212 PolarHBondContact OD1-NH2 3.43Å; D17-R212 WeakPolarHBondContact OD2-CD 3.38Å; D17-R212 IonicContact OD2-CZ 3.78Å; D17-R212 IonicContact OD2-NE 3.05Å; D17-R212 PolarHBondContact OD2-NE 3Å; D17-R212 IonicContact OD2-NH2 3.64Å; D21-R212 IonicContact OD1-CZ 3.19Å; D21-R212 IonicContact OD1-NH1 2.95Å; D21-R212 IonicContact OD1-NH2 3.48Å; D21-R212 PolarHBondContact OD1-NH2 3.03Å; N210-R212 PolarHBondContact O-N 3.01Å; N210-R212 VanDerWaalsContact O-N 3.08Å; R212-R214 HydrophobicContact CB-CG 4.12Å; R212-R214 PolarHBondContact O-N 3.03Å
213N93.6Very high94.5Very high112 Ų11257 Ų5760%0.59932%0.315SS*.  trans51.839.5-177.9-60.3-54.9000113.2N210N210-N213 PolarHBondContact O-N 2.85Å; N210-N213 VanDerWaalsContact O-N 3.09Å
214R93.3Very high94.4Very high70 Ų7056.3 Ų56.326%0.26430%0.301SS..PPolyproline II helixtrans-63139.7178.9-61.9177.3174.194.4-7.5109.3D17 D190 W208 N210 R212D17-R214 IonicContact OD2-CZ 2.66Å; D17-R214 IonicContact OD2-NH1 2.65Å; D17-R214 PolarHBondContact OD2-NH1 3.32Å; D17-R214 IonicContact OD2-NH2 2.93Å; D17-R214 PolarHBondContact OD2-NH2 2.97Å; D190-R214 IonicContact OD2-CZ 3.89Å; D190-R214 IonicContact OD2-NE 2.69Å; D190-R214 IonicContact OD2-NH1 3.49Å; D190-R214 PolarHBondContact OD2-NH1 3.01Å; D190-R214 IonicContact OD2-NH2 3.01Å; D190-R214 PolarHBondContact OD2-NH2 3.23Å; W208-R214 WeakPolarHBondContact CH2-O 3.47Å; W208-R214 HydrophobicContact CZ2-CB 4.1Å; N210-R214 PolarHBondContact ND2-O 2.94Å; N210-R214 VanDerWaalsContact ND2-O 3.11Å; N210-R214 WeakPolarHBondContact OD1-CA 3.32Å; N210-R214 VanDerWaalsContact OD1-CB 3.31Å; N210-R214 WeakPolarHBondContact OD1-CB 3.04Å; N210-R214 PolarHBondContact OD1-N 2.54Å; R212-R214 HydrophobicContact CB-CG 4.12Å; R212-R214 PolarHBondContact O-N 3.03Å
215Q93.4Very high94.4Very high170 Ų17058.4 Ų58.479%0.79431%0.312SS*.PPolyproline II helixtrans-76.5147.6172.5-62.3-60-54.500110
216L92.9Very high94.3Very high56 Ų5658.5 Ų58.529%0.29331%0.313SS..PPolyproline II helixtrans-58.9142171-70.1171.1000110.4F192 W208 Q222F192-L216 HydrophobicContact CD1-CD2 4.26Å; F192-L216 HydrophobicContact CD2-CD2 3.55Å; F192-L216 HydrophobicContact CE1-CD2 3.96Å; F192-L216 HydrophobicContact CE2-CD2 3.2Å; F192-L216 HydrophobicContact CG-CD2 4.06Å; F192-L216 HydrophobicContact CZ-CD2 3.42Å; F192-L216 VanDerWaalsContact CZ-CD2 3.42Å; W208-L216 HydrophobicContact CH2-CD2 3.89Å; W208-L216 HydrophobicContact CH2-CG 4.43Å; W208-L216 HydrophobicContact CZ3-CD2 3.74Å; W208-L216 HydrophobicContact CZ3-CG 4.43Å; L216-Q222 HydrophobicContact CD1-CG 3.61Å
217P89.9Confident94.3Very high33 Ų3361.6 Ų61.621%0.21433%0.328CS..PPolyproline II helixtrans-54.4142.6169.8-22.130.5000111.5F192 N193 G219 T220F192-P217 HydrophobicContact CB-CG 4.42Å; F192-P217 VanDerWaalsContact CD1-CD 3.46Å; F192-P217 HydrophobicContact CD1-CG 3.76Å; F192-P217 HydrophobicContact CG-CG 4.43Å; N193-P217 WeakPolarHBondContact OD1-CG 3.5Å; P217-G219 PolarHBondContact O-N 2.82Å; P217-T220 HydrophobicContact CB-CG2 3.84Å; P217-T220 WeakPolarHBondContact CD-OG1 3.46Å; P217-T220 HydrophobicContact CG-CG2 4.31Å; P217-T220 PolarHBondContact O-N 3.31Å; P217-T220 VanDerWaalsContact O-N 3.1Å; P217-T220 PolarHBondContact O-OG1 2.65Å
218K89.7Confident94.3Very high215 Ų21562 Ų6294%0.93533%0.33SS*.THydrogen-bonded Turntrans-57.6131.2178.5-70.9-175.5178.8178.20110.1T220K218-T220 VanDerWaalsContact C-N 3.32Å
219G89.5Confident94.2Very high90 Ų9065 Ų6593%0.92835%0.349SS*.THydrogen-bonded Turntrans82.54.7179.200000115P217P217-G219 PolarHBondContact O-N 2.82Å
220T89.8Confident94.2Very high50 Ų5066.8 Ų66.831%0.30736%0.361SS..  trans-99.9153.6172.166.70000111.6F192 I197 P217 K218F192-T220 HydrophobicContact CE1-CG2 4.41Å; I197-T220 HydrophobicContact CD1-CG2 4.01Å; P217-T220 HydrophobicContact CB-CG2 3.84Å; P217-T220 WeakPolarHBondContact CD-OG1 3.46Å; P217-T220 HydrophobicContact CG-CG2 4.31Å; P217-T220 PolarHBondContact O-N 3.31Å; P217-T220 VanDerWaalsContact O-N 3.1Å; P217-T220 PolarHBondContact O-OG1 2.65Å; K218-T220 VanDerWaalsContact C-N 3.32Å
221S91.1Very high94.2Very high80 Ų8067.2 Ų67.256%0.55936%0.362SS*.  trans-104.4163.3168.555.20000110.4F192 I223F192-S221 WeakPolarHBondContact CZ-O 3.44Å; S221-I223 PolarHBondContact O-N 3.02Å
222Q91.3Very high94.3Very high132 Ų13270.6 Ų70.662%0.61738%0.382SS*.  trans-64.2116.1167.2-68.7-178.4-43.500109.1L216 E227L216-Q222 HydrophobicContact CD1-CG 3.61Å; Q222-E227 PolarHBondContact NE2-OE2 3.1Å
223I95.4Very high94.5Very high63 Ų6372.6 Ų72.632%0.32339%0.392SS..  trans-124.8-9.6-178.660.9169.9000112.6F192 V196 I197 K200 S221F192-I223 HydrophobicContact CZ-CG1 3.98Å; V196-I223 HydrophobicContact CG1-CD1 4.3Å; V196-I223 HydrophobicContact CG1-CG1 3.81Å; I197-I223 HydrophobicContact CG1-CD1 4Å; K200-I223 HydrophobicContact CB-CD1 4.01Å; K200-I223 WeakPolarHBondContact CD-O 3.19Å; K200-I223 WeakPolarHBondContact CE-O 3.3Å; K200-I223 HydrophobicContact CG-CB 4.49Å; K200-I223 HydrophobicContact CG-CD1 4.02Å; K200-I223 HydrophobicContact CG-CG1 4.13Å; S221-I223 PolarHBondContact O-N 3.02Å
224Q95.5Very high94.8Very high24 Ų2467.3 Ų67.311%0.11236%0.364CS..  trans-63.1147.4171.370.2-77.215.800110.6V196 W208 I226 E227V196-Q224 HydrophobicContact CG1-CB 3.75Å; V196-Q224 HydrophobicContact CG2-CB 4.45Å; W208-Q224 HydrophobicContact CB-CB 4.11Å; W208-Q224 HydrophobicContact CB-CG 4.01Å; Q224-I226 WeakPolarHBondContact CG-O 3.38Å; Q224-E227 HydrophobicContact CG-CB 4.12Å; Q224-E227 PolarHBondContact NE2-OE2 3.36Å
225D96.5Very high95Very high46 Ų4665.4 Ų65.425%0.24636%0.359CS..SBendtrans-82.6-29.3177.8-53.7-78.2000110.9K200 Q205 S206K200-D225 VanDerWaalsContact NZ-CG 3.27Å; K200-D225 IonicContact NZ-OD1 2.79Å; K200-D225 PolarHBondContact NZ-OD1 3.38Å; K200-D225 IonicContact NZ-OD2 2.82Å; K200-D225 PolarHBondContact NZ-OD2 3.46Å; Q205-D225 WeakPolarHBondContact CA-OD2 3.48Å; S206-D225 PolarHBondContact N-OD2 3.37Å; S206-D225 PolarHBondContact O-N 2.98Å
226I96.7Very high95.3Very high13 Ų1360.6 Ų60.67%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-137.1139.4177.3-55.9173.7000109V4 L186 S206 L207 W208 Q224 L228 T237 I241V4-I226 HydrophobicContact CG2-CD1 4.04Å; V4-I226 HydrophobicContact CG2-CG1 4.01Å; L186-I226 HydrophobicContact CD2-CD1 4.39Å; S206-I226 PolarHBondContact O-N 2.91Å; L207-I226 CarbonylContact C-O 3.58Å; L207-I226 WeakPolarHBondContact CA-O 3.48Å; L207-I226 HydrophobicContact CB-CB 4.2Å; L207-I226 HydrophobicContact CD1-CB 4.34Å; L207-I226 HydrophobicContact CD1-CD1 4.37Å; L207-I226 HydrophobicContact CD1-CG2 4.04Å; L207-I226 HydrophobicContact CG-CB 3.88Å; L207-I226 HydrophobicContact CG-CG2 3.82Å; W208-I226 PolarHBondContact N-O 3.22Å; Q224-I226 WeakPolarHBondContact CG-O 3.38Å; I226-L228 HydrophobicContact CG2-CD2 3.83Å; I226-L228 HydrophobicContact CG2-CG 4.16Å; I226-T237 HydrophobicContact CD1-CG2 4.21Å; I226-T237 HydrophobicContact CG2-CG2 4.2Å; I226-I241 HydrophobicContact CD1-CD1 3.69Å
227E97.5Very high95.5Very high65 Ų6558.6 Ų58.630%0.30433%0.333SS..EExtended strand (participates in β ladder)trans-124.2128.3168.3-179175.5179.300108.9W208 N210 Q222 Q224W208-E227 HydrophobicContact CE3-CG 3.84Å; W208-E227 HydrophobicContact CZ3-CG 4.46Å; W208-E227 WeakPolarHBondContact CZ3-OE1 3.49Å; W208-E227 WeakPolarHBondContact O-CA 3.27Å; N210-E227 HydrophobicContact CB-CG 4.3Å; N210-E227 PolarHBondContact ND2-OE1 3.05Å; Q222-E227 PolarHBondContact NE2-OE2 3.1Å; Q224-E227 HydrophobicContact CG-CB 4.12Å; Q224-E227 PolarHBondContact NE2-OE2 3.36Å
228L98.4Very high95.9Very high8 Ų857 Ų574%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-117.2135.1173.5-55.8-172.4000109L207 W208 L209 N210 I226 Q233 L234 T237L207-L228 HydrophobicContact CD1-CD1 4Å; L207-L228 HydrophobicContact CD1-CG 4.35Å; L207-L228 HydrophobicContact CD2-CB 4.45Å; L207-L228 HydrophobicContact CD2-CD1 3.95Å; L207-L228 HydrophobicContact CD2-CG 3.9Å; L207-L228 HydrophobicContact CG-CD1 4.4Å; L207-L228 HydrophobicContact CG-CG 4.32Å; W208-L228 PolarHBondContact O-N 3.05Å; L209-L228 CarbonylContact C-O 3.53Å; L209-L228 HydrophobicContact CD1-CB 3.9Å; L209-L228 HydrophobicContact CD1-CD1 4.47Å; N210-L228 CarbonylContact C-O 3.42Å; N210-L228 WeakPolarHBondContact CA-O 3.34Å; N210-L228 PolarHBondContact N-O 3.48Å; I226-L228 HydrophobicContact CG2-CD2 3.83Å; I226-L228 HydrophobicContact CG2-CG 4.16Å; L228-Q233 HydrophobicContact CB-CB 4.28Å; L228-Q233 HydrophobicContact CD1-CB 4.15Å; L228-Q233 HydrophobicContact CD2-CB 3.93Å; L228-Q233 HydrophobicContact CG-CB 4.34Å; L228-L234 HydrophobicContact CD1-CD2 3.71Å; L228-L234 HydrophobicContact CD1-CG 4.04Å; L228-T237 HydrophobicContact CD2-CG2 4.36Å; L228-T237 WeakPolarHBondContact CD2-OG1 3.39Å
229T97.5Very high96.3Very high67 Ų6751.1 Ų51.141%0.41130%0.298SS..SBendtrans-102.4-0.4-179.859.20000112.7H211 Q233H211-T229 WeakPolarHBondContact CA-O 3.46Å; T229-Q233 PolarHBondContact OG1-OE1 3.08Å
230S97.7Very high96.5Very high36 Ų3652.6 Ų52.625%0.25228%0.281SS..SBendtrans-152.3156.4171.374.50000112.3D232 Q233S230-D232 PolarHBondContact O-N 3.44Å; S230-Q233 PolarHBondContact O-N 2.88Å
231F98.4Very high96.8Very high15 Ų1551.7 Ų51.77%0.06627%0.274CS..G310 helixtrans-60.1-33.8173.9-77.6-84.6000112.7T18 H109 E111 V112 L209 H211 Q233 L234T18-F231 WeakPolarHBondContact O-CE1 3.36Å; H109-F231 HydrophobicContact CB-CD1 4.03Å; H109-F231 HydrophobicContact CB-CE1 4.02Å; H109-F231 AromaticContact CD2-CD2 3.75Å; H109-F231 AromaticContact CD2-CG 3.77Å; H109-F231 WeakPolarHBondContact CE1-CB 3.42Å; H109-F231 AromaticContact CE1-CG 3.67Å; H109-F231 AromaticContact CG-CD1 3.69Å; H109-F231 AromaticContact CG-CG 3.75Å; H109-F231 AromaticContact ND1-CD1 3.76Å; H109-F231 AromaticContact ND1-CG 3.66Å; H109-F231 AromaticContact NE2-CD2 3.77Å; H109-F231 AromaticContact NE2-CG 3.73Å; E111-F231 HydrophobicContact CB-CB 4.16Å; E111-F231 WeakPolarHBondContact CB-O 3.37Å; E111-F231 HydrophobicContact CG-CB 4.47Å; V112-F231 HydrophobicContact CG2-CD1 3.75Å; V112-F231 HydrophobicContact CG2-CE1 3.77Å; L209-F231 HydrophobicContact CD2-CD1 3.95Å; L209-F231 HydrophobicContact CD2-CE1 3.59Å; L209-F231 HydrophobicContact CD2-CZ 3.99Å; H211-F231 HydrophobicContact CB-CD2 4.19Å; H211-F231 HydrophobicContact CB-CE2 4.12Å; H211-F231 AromaticContact CD2-CE2 3.59Å; H211-F231 AromaticContact CD2-CZ 3.85Å; H211-F231 AromaticContact CE1-CE2 3.77Å; H211-F231 AromaticContact CG-CE2 3.57Å; H211-F231 AromaticContact ND1-CE2 3.73Å; H211-F231 AromaticContact NE2-CE2 3.7Å; H211-F231 AromaticContact NE2-CZ 3.82Å; F231-Q233 PolarHBondContact O-N 3.39Å; F231-L234 HydrophobicContact CB-CD1 4.46Å; F231-L234 HydrophobicContact CD1-CD1 3.68Å; F231-L234 HydrophobicContact CE1-CD1 4.44Å; F231-L234 HydrophobicContact CG-CD1 4.48Å; F231-L234 VanDerWaalsContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CB 3.49Å; F231-L234 PolarHBondContact O-N 3.21Å
232D98.3Very high96.9Very high104 Ų10449.1 Ų49.156%0.55625%0.252SS*.G310 helixtrans-60.5-18.4179-56.6-32.2000113.6S230 P236S230-D232 PolarHBondContact O-N 3.44Å; D232-P236 VanDerWaalsContact O-CD 3.27Å; D232-P236 WeakPolarHBondContact O-CD 3.32Å
233Q98.6Very high96.7Very high75 Ų7548.8 Ų48.835%0.3527%0.272SS..G310 helixtrans-85.3-14.2177.3-62.5175.5-45.400113.1L228 T229 S230 F231 T237L228-Q233 HydrophobicContact CB-CB 4.28Å; L228-Q233 HydrophobicContact CD1-CB 4.15Å; L228-Q233 HydrophobicContact CD2-CB 3.93Å; L228-Q233 HydrophobicContact CG-CB 4.34Å; T229-Q233 PolarHBondContact OG1-OE1 3.08Å; S230-Q233 PolarHBondContact O-N 2.88Å; F231-Q233 PolarHBondContact O-N 3.39Å; Q233-T237 WeakPolarHBondContact O-CB 3.45Å; Q233-T237 PolarHBondContact O-N 2.94Å; Q233-T237 VanDerWaalsContact O-N 3.12Å; Q233-T237 PolarHBondContact O-OG1 3.26Å
234L98.6Very high96.7Very high1 Ų148.1 Ų48.11%0.00527%0.27CS..Hα-helixtrans-60.6-61.9-176.7-77165.8000111.1V112 L209 L228 F231 T237 F238V112-L234 HydrophobicContact CG2-CD1 3.87Å; L209-L234 HydrophobicContact CD1-CD1 4.39Å; L209-L234 HydrophobicContact CD1-CD2 4.25Å; L209-L234 HydrophobicContact CD1-CG 4.19Å; L209-L234 HydrophobicContact CD2-CD1 4.1Å; L228-L234 HydrophobicContact CD1-CD2 3.71Å; L228-L234 HydrophobicContact CD1-CG 4.04Å; F231-L234 HydrophobicContact CB-CD1 4.46Å; F231-L234 HydrophobicContact CD1-CD1 3.68Å; F231-L234 HydrophobicContact CE1-CD1 4.44Å; F231-L234 HydrophobicContact CG-CD1 4.48Å; F231-L234 VanDerWaalsContact O-CB 3.3Å; F231-L234 WeakPolarHBondContact O-CB 3.49Å; F231-L234 PolarHBondContact O-N 3.21Å; L234-T237 WeakPolarHBondContact O-CB 3.45Å; L234-T237 PolarHBondContact O-N 3.24Å; L234-T237 VanDerWaalsContact O-N 3.08Å; L234-F238 HydrophobicContact CD2-CD2 4.49Å; L234-F238 HydrophobicContact CD2-CE2 3.97Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.34Å; L234-F238 PolarHBondContact O-N 2.88Å
235L98.7Very high96.8Very high30 Ų3049.3 Ų49.316%0.15728%0.278CS..Hα-helixtrans-58.3-49.2-175174.668000112.4K114 T115 F118 T237 F238 Q239K114-L235 HydrophobicContact CB-CD2 4.07Å; K114-L235 HydrophobicContact CD-CD2 4.44Å; T115-L235 WeakPolarHBondContact OG1-CA 3.34Å; T115-L235 PolarHBondContact OG1-N 3.44Å; F118-L235 HydrophobicContact CB-CD1 3.71Å; F118-L235 HydrophobicContact CD1-CD1 4.48Å; F118-L235 HydrophobicContact CG-CD1 4.04Å; L235-T237 VanDerWaalsContact C-N 3.26Å; L235-T237 PolarHBondContact O-N 2.74Å; L235-F238 PolarHBondContact O-N 3.4Å; L235-Q239 HydrophobicContact CD1-CG 4.03Å; L235-Q239 HydrophobicContact CG-CG 4.35Å; L235-Q239 WeakPolarHBondContact O-CB 3.32Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 3.47Å
236P98.4Very high96.8Very high70 Ų7049.5 Ų49.546%0.45528%0.28SS..Hα-helixtrans-58.5-36.9176.1-25.534.9000113.5D232 H240D232-P236 VanDerWaalsContact O-CD 3.27Å; D232-P236 WeakPolarHBondContact O-CD 3.32Å; P236-H240 PolarHBondContact O-N 2.97Å; P236-H240 VanDerWaalsContact O-N 3.11Å
237T97.9Very high96.8Very high14 Ų1451.6 Ų51.69%0.08629%0.292CS..Hα-helixtrans-66.6-47.8177.7-61.90000110.8I226 L228 Q233 L234 L235 Q239 H240 I241I226-T237 HydrophobicContact CD1-CG2 4.21Å; I226-T237 HydrophobicContact CG2-CG2 4.2Å; L228-T237 HydrophobicContact CD2-CG2 4.36Å; L228-T237 WeakPolarHBondContact CD2-OG1 3.39Å; Q233-T237 WeakPolarHBondContact O-CB 3.45Å; Q233-T237 PolarHBondContact O-N 2.94Å; Q233-T237 VanDerWaalsContact O-N 3.12Å; Q233-T237 PolarHBondContact O-OG1 3.26Å; L234-T237 WeakPolarHBondContact O-CB 3.45Å; L234-T237 PolarHBondContact O-N 3.24Å; L234-T237 VanDerWaalsContact O-N 3.08Å; L235-T237 VanDerWaalsContact C-N 3.26Å; L235-T237 PolarHBondContact O-N 2.74Å; T237-Q239 VanDerWaalsContact C-N 3.34Å; T237-Q239 PolarHBondContact O-N 3.23Å; T237-H240 WeakPolarHBondContact O-CB 3.39Å; T237-H240 PolarHBondContact O-N 3.33Å; T237-H240 VanDerWaalsContact O-N 3.12Å; T237-I241 HydrophobicContact CG2-CD1 3.91Å; T237-I241 WeakPolarHBondContact O-CG1 3.27Å; T237-I241 PolarHBondContact O-N 3.24Å
238F98Very high96.8Very high0 Ų050.8 Ų50.80%029%0.292CS..Hα-helixtrans-66.1-35.9178-82.3-72.6000112.8V11 F13 T115 F118 L119 L186 V188 L207 L234 L235 H240 I241 F242V11-F238 HydrophobicContact CB-CE1 4.4Å; V11-F238 HydrophobicContact CG1-CE1 3.81Å; V11-F238 HydrophobicContact CG1-CZ 3.81Å; V11-F238 HydrophobicContact CG2-CD1 4.4Å; V11-F238 HydrophobicContact CG2-CE1 3.64Å; V11-F238 HydrophobicContact CG2-CZ 4.47Å; F13-F238 HydrophobicContact CZ-CE2 4.3Å; F13-F238 HydrophobicContact CZ-CZ 4.13Å; T115-F238 HydrophobicContact CG2-CB 4.1Å; T115-F238 HydrophobicContact CG2-CD2 3.3Å; T115-F238 HydrophobicContact CG2-CE2 3.86Å; T115-F238 HydrophobicContact CG2-CG 3.75Å; F118-F238 HydrophobicContact CD1-CB 4.24Å; F118-F238 HydrophobicContact CE1-CB 4.31Å; F118-F238 WeakPolarHBondContact CE1-O 3.44Å; L119-F238 HydrophobicContact CD1-CD1 4.44Å; L119-F238 HydrophobicContact CD1-CE1 4.46Å; L119-F238 HydrophobicContact CD2-CD1 3.82Å; L119-F238 HydrophobicContact CD2-CE1 4.37Å; L119-F238 HydrophobicContact CD2-CG 4.45Å; L186-F238 HydrophobicContact CD2-CE1 3.98Å; L186-F238 HydrophobicContact CD2-CZ 4.05Å; V188-F238 HydrophobicContact CG2-CZ 3.86Å; L207-F238 HydrophobicContact CD1-CE2 4.19Å; L207-F238 HydrophobicContact CD1-CZ 4.27Å; L234-F238 HydrophobicContact CD2-CD2 4.49Å; L234-F238 HydrophobicContact CD2-CE2 3.97Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.34Å; L234-F238 PolarHBondContact O-N 2.88Å; L235-F238 PolarHBondContact O-N 3.4Å; F238-H240 VanDerWaalsContact C-N 3.26Å; F238-H240 PolarHBondContact O-N 2.99Å; F238-I241 HydrophobicContact CD1-CD1 4.37Å; F238-I241 PolarHBondContact O-N 3.19Å; F238-F242 HydrophobicContact CD1-CD2 4.04Å; F238-F242 AromaticContact CD1-CE2 3.7Å; F238-F242 HydrophobicContact CD1-CE2 3.7Å; F238-F242 HydrophobicContact CE1-CE2 4.16Å; F238-F242 WeakPolarHBondContact O-CD2 3.41Å; F238-F242 PolarHBondContact O-N 2.75Å
239Q97.5Very high96.7Very high91 Ų9153.7 Ų53.743%0.42531%0.308SS..Hα-helixtrans-60.8-35.9171.5-76.4175.6-17.100112.5F118 L235 T237 A243F118-Q239 HydrophobicContact CD1-CG 4.39Å; F118-Q239 HydrophobicContact CD2-CG 4.04Å; F118-Q239 HydrophobicContact CE1-CG 4.17Å; F118-Q239 HydrophobicContact CE2-CG 3.79Å; F118-Q239 HydrophobicContact CG-CG 4.33Å; F118-Q239 HydrophobicContact CZ-CB 4.27Å; F118-Q239 HydrophobicContact CZ-CG 3.87Å; L235-Q239 HydrophobicContact CD1-CG 4.03Å; L235-Q239 HydrophobicContact CG-CG 4.35Å; L235-Q239 WeakPolarHBondContact O-CB 3.32Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 3.47Å; T237-Q239 VanDerWaalsContact C-N 3.34Å; T237-Q239 PolarHBondContact O-N 3.23Å; Q239-A243 WeakPolarHBondContact O-CA 3.34Å; Q239-A243 VanDerWaalsContact O-CB 3.3Å; Q239-A243 WeakPolarHBondContact O-CB 3.31Å; Q239-A243 PolarHBondContact O-N 2.9Å
240H95.1Very high96.6Very high121 Ų12152.7 Ų52.756%0.5630%0.301SS*.Hα-helixtrans-73.4-41.2175-177.276.1000112.7M1 P236 T237 F238 F242M1-H240 HydrophobicContact CE-CB 3.84Å; M1-H240 WeakPolarHBondContact CE-CD2 3.37Å; P236-H240 PolarHBondContact O-N 2.97Å; P236-H240 VanDerWaalsContact O-N 3.11Å; T237-H240 WeakPolarHBondContact O-CB 3.39Å; T237-H240 PolarHBondContact O-N 3.33Å; T237-H240 VanDerWaalsContact O-N 3.12Å; F238-H240 VanDerWaalsContact C-N 3.26Å; F238-H240 PolarHBondContact O-N 2.99Å; H240-F242 VanDerWaalsContact C-N 3.32Å; H240-F242 PolarHBondContact O-N 2.8Å
241I95.4Very high96.5Very high30 Ų3054 Ų5415%0.15431%0.305CS..Hα-helixtrans-62.5-40.9178.8-68.1167.6000111I8 L186 I226 T237 F238I8-I241 HydrophobicContact CB-CG2 3.75Å; I8-I241 HydrophobicContact CG1-CG2 3.95Å; I8-I241 HydrophobicContact CG2-CG2 4.37Å; L186-I241 HydrophobicContact CD2-CD1 4.06Å; I226-I241 HydrophobicContact CD1-CD1 3.69Å; T237-I241 HydrophobicContact CG2-CD1 3.91Å; T237-I241 WeakPolarHBondContact O-CG1 3.27Å; T237-I241 PolarHBondContact O-N 3.24Å; F238-I241 HydrophobicContact CD1-CD1 4.37Å; F238-I241 PolarHBondContact O-N 3.19Å
242F94.5Very high96.4Very high26 Ų2657.3 Ų57.311%0.11433%0.325CS..THydrogen-bonded Turntrans-110.926.6-175.3-61.5-72.5000113.4I8 V11 F118 L119 K122 V124 F238 H240I8-F242 HydrophobicContact CB-CE1 4.44Å; I8-F242 HydrophobicContact CB-CZ 4.23Å; I8-F242 HydrophobicContact CG2-CE1 4.22Å; I8-F242 HydrophobicContact CG2-CZ 3.66Å; I8-F242 VanDerWaalsContact O-CE1 3.28Å; I8-F242 WeakPolarHBondContact O-CE1 3.5Å; V11-F242 HydrophobicContact CG2-CE2 3.86Å; V11-F242 HydrophobicContact CG2-CZ 3.85Å; F118-F242 HydrophobicContact CE1-CB 4.05Å; F118-F242 HydrophobicContact CE1-CD2 4.45Å; F118-F242 HydrophobicContact CZ-CB 4.21Å; L119-F242 HydrophobicContact CD2-CD2 3.61Å; L119-F242 HydrophobicContact CD2-CE2 3.39Å; L119-F242 HydrophobicContact CD2-CZ 4.25Å; K122-F242 WeakPolarHBondContact CE-O 3.42Å; K122-F242 PolarHBondContact NZ-O 3.44Å; V124-F242 HydrophobicContact CB-CE1 4.39Å; V124-F242 HydrophobicContact CB-CZ 4.33Å; V124-F242 HydrophobicContact CG1-CE1 3.89Å; V124-F242 HydrophobicContact CG1-CE2 4.14Å; V124-F242 HydrophobicContact CG1-CZ 3.54Å; V124-F242 HydrophobicContact CG2-CD1 3.6Å; V124-F242 HydrophobicContact CG2-CD2 4.26Å; V124-F242 HydrophobicContact CG2-CE1 3.53Å; V124-F242 HydrophobicContact CG2-CE2 4.21Å; V124-F242 HydrophobicContact CG2-CG 3.97Å; V124-F242 HydrophobicContact CG2-CZ 3.85Å; F238-F242 HydrophobicContact CD1-CD2 4.04Å; F238-F242 AromaticContact CD1-CE2 3.7Å; F238-F242 HydrophobicContact CD1-CE2 3.7Å; F238-F242 HydrophobicContact CE1-CE2 4.16Å; F238-F242 WeakPolarHBondContact O-CD2 3.41Å; F238-F242 PolarHBondContact O-N 2.75Å; H240-F242 VanDerWaalsContact C-N 3.32Å; H240-F242 PolarHBondContact O-N 2.8Å
243A85.7Confident96.2Very high125 Ų12553 Ų53100%1.03330%0.304SS*.  trans-63.60173.300000110.3K122 Q239K122-A243 PolarHBondContact NZ-O 2.86Å; Q239-A243 WeakPolarHBondContact O-CA 3.34Å; Q239-A243 VanDerWaalsContact O-CB 3.3Å; Q239-A243 WeakPolarHBondContact O-CB 3.31Å; Q239-A243 PolarHBondContact O-N 2.9Å

Retrieved 243 of 243 residues in 83.7 ms (Link to these results)

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