A0A087XXP8_POEFO Loading...

Hydroxysteroid (17-beta) dehydrogenase 14

AlphaFold DB , UniProt , Accession A0A087XXP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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
1R42.7Very low74Confident303 Ų303121.3 Ų121.3100%1.14358%0.576SS**  097.60-77.5179.4175.9176.7-1.8107.4K3R1-K3 PolarHBondContact O-N 3.24Å
2T43.2Very low76Confident145 Ų145111.2 Ų111.289%0.8953%0.528SS*.PPolyproline II helixtrans-59.7119.4173.414.20000108.1M4T2-M4 PolarHBondContact O-N 2.98Å; T2-M4 VanDerWaalsContact O-N 3.12Å
3K52.4Low77.7Confident209 Ų209102.6 Ų102.691%0.90949%0.487SS*.PPolyproline II helixtrans-57.1117.4170.8-94.9-179.1173-179.90106.8R1R1-K3 PolarHBondContact O-N 3.24Å
4M59.1Low79.2Confident142 Ų14295.3 Ų95.370%0.745%0.452SS*.PPolyproline II helixtrans-57.2138.6169.9-77.6-177.659.400108.7T2T2-M4 PolarHBondContact O-N 2.98Å; T2-M4 VanDerWaalsContact O-N 3.12Å
5P73.9Confident80.4Confident110 Ų11088.9 Ų88.971%0.71442%0.422SS*.PPolyproline II helixtrans-60.8140.2177.325.1-32.5000110.2R7P5-R7 PolarHBondContact O-N 3.17Å
6L82.3Confident81.5Confident79 Ų7983.6 Ų83.641%0.41440%0.397SS..PPolyproline II helixtrans-69.1121.3-179.1-60.5172.2000109.4Q9 E32 P59L6-Q9 HydrophobicContact CB-CB 4.32Å; L6-E32 WeakPolarHBondContact CD2-O 3.48Å; L6-P59 HydrophobicContact CD1-CB 4.05Å; L6-P59 HydrophobicContact CD1-CG 3.69Å; L6-P59 HydrophobicContact CD2-CG 3.53Å; L6-P59 HydrophobicContact CG-CG 4.29Å
7R86.7Confident82.2Confident92 Ų9279.8 Ų79.835%0.34739%0.385SS..SBendtrans-85.6-14-170.6-65170.575171.75.8114P5 N33 L236 A240 D241P5-R7 PolarHBondContact O-N 3.17Å; R7-N33 PolarHBondContact N-OD1 3.38Å; R7-L236 HydrophobicContact CB-CD2 4.44Å; R7-A240 HydrophobicContact CB-CB 4.41Å; R7-A240 WeakPolarHBondContact O-CB 3.48Å; R7-D241 IonicContact CZ-OD2 3.94Å; R7-D241 VanDerWaalsContact CZ-OD2 3.28Å; R7-D241 IonicContact NE-OD2 3.94Å; R7-D241 PolarHBondContact NE-OD2 2.89Å; R7-D241 IonicContact NH2-OD2 3.38Å; R7-D241 PolarHBondContact NH2-OD2 2.91Å
8Y92.6Very high82.7Confident18 Ų1875.4 Ų75.47%0.07136%0.364CS..SBendtrans-145.340.8-175-144.2-115000113.2K11 V13 F30 N33 A35 C91 L236 A239 A240Y8-K11 HydrophobicContact CD1-CB 3.31Å; Y8-K11 HydrophobicContact CD1-CG 3.87Å; Y8-K11 HydrophobicContact CD2-CB 4.46Å; Y8-K11 HydrophobicContact CD2-CG 4.12Å; Y8-K11 HydrophobicContact CE1-CB 3.2Å; Y8-K11 HydrophobicContact CE1-CG 3.81Å; Y8-K11 HydrophobicContact CE2-CB 4.39Å; Y8-K11 HydrophobicContact CE2-CG 4.08Å; Y8-K11 HydrophobicContact CG-CB 3.96Å; Y8-K11 HydrophobicContact CG-CG 4.02Å; Y8-V13 HydrophobicContact CD1-CG2 3.9Å; Y8-V13 HydrophobicContact CE1-CG2 3.59Å; Y8-F30 AromaticContact CD1-CD1 3.63Å; Y8-F30 HydrophobicContact CD1-CD1 3.63Å; Y8-F30 AromaticContact CD1-CE1 3.6Å; Y8-F30 HydrophobicContact CD1-CE1 3.6Å; Y8-F30 HydrophobicContact CE1-CD1 4.21Å; Y8-F30 AromaticContact CE1-CE1 3.83Å; Y8-F30 HydrophobicContact CE1-CE1 3.83Å; Y8-F30 HydrophobicContact CG-CD1 4.24Å; Y8-F30 HydrophobicContact CG-CE1 4.12Å; Y8-N33 CarbonylContact C-O 3.45Å; Y8-N33 VanDerWaalsContact C-O 3.3Å; Y8-N33 PolarHBondContact N-O 3.08Å; Y8-A35 HydrophobicContact CD1-CB 4.03Å; Y8-A35 WeakPolarHBondContact O-CA 3.02Å; Y8-A35 PolarHBondContact O-N 3.35Å; Y8-C91 HydrophobicContact CE1-CB 4.32Å; Y8-L236 HydrophobicContact CG-CD1 4.36Å; Y8-A239 HydrophobicContact CD2-CB 4.5Å; Y8-A239 HydrophobicContact CE2-CB 3.93Å; Y8-A240 HydrophobicContact CD2-CB 3.76Å; Y8-A240 HydrophobicContact CE2-CB 4.35Å
9Q93.2Very high83Confident71 Ų7172.5 Ų72.533%0.33235%0.352SS..THydrogen-bonded Turntrans-62135.6-174.6-175.561.95000113L6 K11 N33 G34L6-Q9 HydrophobicContact CB-CB 4.32Å; Q9-K11 PolarHBondContact O-N 3.35Å; Q9-K11 VanDerWaalsContact O-N 3.07Å; Q9-N33 PolarHBondContact N-O 2.92Å; Q9-G34 WeakPolarHBondContact CA-O 3.11Å; Q9-G34 PolarHBondContact NE2-O 3.25Å
10N91.1Very high83.3Confident97 Ų9775 Ų7552%0.51936%0.361SS..THydrogen-bonded Turntrans6013.6175.2-62.3-30.6000115G34N10-G34 PolarHBondContact N-O 3.39Å
11K96.8Very high83.6Confident68 Ų6871.7 Ų71.730%0.29635%0.347SS..  trans-88.2144.7175.6-65.3-65.5-174.4177.40111Y8 Q9 A35 K36 D90Y8-K11 HydrophobicContact CD1-CB 3.31Å; Y8-K11 HydrophobicContact CD1-CG 3.87Å; Y8-K11 HydrophobicContact CD2-CB 4.46Å; Y8-K11 HydrophobicContact CD2-CG 4.12Å; Y8-K11 HydrophobicContact CE1-CB 3.2Å; Y8-K11 HydrophobicContact CE1-CG 3.81Å; Y8-K11 HydrophobicContact CE2-CB 4.39Å; Y8-K11 HydrophobicContact CE2-CG 4.08Å; Y8-K11 HydrophobicContact CG-CB 3.96Å; Y8-K11 HydrophobicContact CG-CG 4.02Å; Q9-K11 PolarHBondContact O-N 3.35Å; Q9-K11 VanDerWaalsContact O-N 3.07Å; K11-A35 WeakPolarHBondContact O-CA 3.47Å; K11-K36 PolarHBondContact O-N 3.4Å; K11-D90 WeakPolarHBondContact CA-OD2 3.44Å; K11-D90 HydrophobicContact CB-CB 4.24Å; K11-D90 HydrophobicContact CD-CB 3.91Å; K11-D90 VanDerWaalsContact CD-OD1 3.3Å; K11-D90 WeakPolarHBondContact CD-OD1 3.46Å; K11-D90 WeakPolarHBondContact CD-OD2 3.48Å; K11-D90 IonicContact NZ-OD1 3.4Å; K11-D90 PolarHBondContact NZ-OD1 2.9Å
12V98Very high86Confident0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-99.3124.1-178.4-176.30000110.2K36 T82 H86 H88 D90 C91V12-K36 CarbonylContact C-O 3.6Å; V12-K36 WeakPolarHBondContact CA-O 3.48Å; V12-K36 HydrophobicContact CG2-CB 4.46Å; V12-T82 HydrophobicContact CG1-CG2 3.57Å; V12-H86 HydrophobicContact CB-CB 4.49Å; V12-H86 HydrophobicContact CG1-CB 4.13Å; V12-H86 HydrophobicContact CG2-CB 3.53Å; V12-H88 WeakPolarHBondContact CB-O 3.4Å; V12-H88 WeakPolarHBondContact CG1-O 3.26Å; V12-D90 PolarHBondContact N-OD2 3.42Å; V12-D90 PolarHBondContact O-N 2.98Å; V12-C91 PolarHBondContact O-N 2.81Å
13V98.1Very high88.4Confident0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-122.9132-176.7-171.30000109.6Y8 V15 F30 A35 K36 V37 V38 C91 V93Y8-V13 HydrophobicContact CD1-CG2 3.9Å; Y8-V13 HydrophobicContact CE1-CG2 3.59Å; V13-V15 HydrophobicContact CG1-CG2 3.93Å; V13-F30 HydrophobicContact CG1-CD1 4.41Å; V13-F30 HydrophobicContact CG1-CD2 4.27Å; V13-F30 HydrophobicContact CG1-CE1 4.42Å; V13-F30 HydrophobicContact CG1-CE2 4.31Å; V13-F30 HydrophobicContact CG1-CG 4.33Å; V13-F30 HydrophobicContact CG1-CZ 4.37Å; V13-F30 HydrophobicContact CG2-CD1 3.61Å; V13-F30 HydrophobicContact CG2-CE1 3.86Å; V13-F30 HydrophobicContact CG2-CG 4.12Å; V13-A35 HydrophobicContact CG2-CB 4.07Å; V13-K36 PolarHBondContact N-O 2.71Å; V13-V37 HydrophobicContact CB-CG1 4.48Å; V13-V37 HydrophobicContact CB-CG2 4.34Å; V13-V37 CarbonylContact O-C 3.54Å; V13-V37 WeakPolarHBondContact O-CA 3.38Å; V13-V38 PolarHBondContact O-N 3.13Å; V13-C91 CarbonylContact C-O 3.44Å; V13-C91 WeakPolarHBondContact CA-O 3.41Å; V13-C91 HydrophobicContact CB-CB 4.46Å; V13-C91 HydrophobicContact CG1-CB 4.1Å; V13-C91 HydrophobicContact CG2-CB 4.14Å; V13-V93 HydrophobicContact CG1-CG2 4.03Å
14I98.4Very high90.5Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-102.9129.7169.8-58.7177000108.4V38 L78 I79 T82 V89 C91 L92 V93I14-V38 CarbonylContact C-O 3.57Å; I14-V38 VanDerWaalsContact CA-O 3.23Å; I14-V38 WeakPolarHBondContact CA-O 3.46Å; I14-L78 HydrophobicContact CG2-CD2 4.02Å; I14-L78 HydrophobicContact CG2-CG 4.26Å; I14-I79 HydrophobicContact CD1-CD1 3.46Å; I14-I79 VanDerWaalsContact CD1-CD1 3.46Å; I14-I79 HydrophobicContact CG2-CD1 4.48Å; I14-T82 HydrophobicContact CD1-CG2 3.77Å; I14-T82 HydrophobicContact CG1-CG2 3.72Å; I14-V89 HydrophobicContact CD1-CG1 3.88Å; I14-V89 HydrophobicContact CD1-CG2 3.89Å; I14-V89 HydrophobicContact CG1-CG1 4.12Å; I14-C91 PolarHBondContact N-O 3.07Å; I14-L92 HydrophobicContact CB-CD1 3.9Å; I14-L92 HydrophobicContact CG2-CD1 3.87Å; I14-V93 PolarHBondContact O-N 2.82Å
15V98.2Very high92.2Very high0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans-124114177.2-174.30000110.5V13 I26 V27 V37 V38 F39 C40 V93V13-V15 HydrophobicContact CG1-CG2 3.93Å; V15-I26 HydrophobicContact CG1-CG2 4.18Å; V15-I26 HydrophobicContact CG2-CG2 3.99Å; V15-V27 HydrophobicContact CB-CG2 3.95Å; V15-V27 HydrophobicContact CG1-CG2 4.02Å; V15-V27 HydrophobicContact CG2-CG2 4.07Å; V15-V37 HydrophobicContact CG2-CG1 3.76Å; V15-V38 PolarHBondContact N-O 3.27Å; V15-F39 HydrophobicContact CB-CB 4.13Å; V15-F39 VanDerWaalsContact O-CA 3.25Å; V15-F39 WeakPolarHBondContact O-CA 3.43Å; V15-C40 PolarHBondContact O-N 3.4Å; V15-V93 HydrophobicContact CG1-CB 4.41Å; V15-V93 HydrophobicContact CG2-CB 4.19Å; V15-V93 HydrophobicContact CG2-CG2 4.33Å
16T97Very high93.3Very high4 Ų433 Ų333%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-82.1136.5174.867.40000111.4V69 L78 V93 N94 N95 A96T16-V69 HydrophobicContact CG2-CG1 4.46Å; T16-L78 HydrophobicContact CG2-CD2 4.35Å; T16-V93 PolarHBondContact N-O 3.09Å; T16-N94 WeakPolarHBondContact OG1-CA 3.48Å; T16-N95 CarbonylContact O-C 3.38Å; T16-N95 VanDerWaalsContact O-CB 3.24Å; T16-N95 WeakPolarHBondContact O-CB 3.12Å; T16-N95 PolarHBondContact O-ND2 3.2Å; T16-N95 PolarHBondContact OG1-N 3.47Å; T16-A96 PolarHBondContact O-N 3.12Å; T16-A96 PolarHBondContact OG1-N 3.29Å
17G93.2Very high94Very high19 Ų1929.2 Ų29.220%0.19614%0.14CC..THydrogen-bonded Turntrans67.237.8-177.300000113.4S19 C40 N95G17-S19 VanDerWaalsContact C-N 3.32Å; G17-S19 PolarHBondContact O-N 3.26Å; G17-C40 CarbonylContact C-O 3.5Å; G17-C40 WeakPolarHBondContact CA-O 3.33Å; G17-C40 PolarHBondContact N-O 3.46Å; G17-N95 PolarHBondContact O-ND2 2.91Å
18G91.1Very high94.4Very high0 Ų028.1 Ų28.10%014%0.138CC..THydrogen-bonded Turntrans-79-2.4-171.700000116G23 R24 C40G18-G23 CarbonylContact O-C 3.55Å; G18-R24 WeakPolarHBondContact O-CA 3.49Å; G18-R24 PolarHBondContact O-N 3.42Å; G18-C40 PolarHBondContact N-O 3.38Å
19S89.1Confident94.5Very high20 Ų2027.5 Ų27.514%0.1414%0.136CC..THydrogen-bonded Turntrans-86-13.5-170.764.70000115.6G17 A41 L50G17-S19 VanDerWaalsContact C-N 3.32Å; G17-S19 PolarHBondContact O-N 3.26Å; S19-A41 WeakPolarHBondContact OG-CB 3.3Å; S19-L50 WeakPolarHBondContact O-CD1 3.22Å
20K88.9Confident94.7Very high122 Ų12224.1 Ų24.153%0.5312%0.12SC..SBendtrans-146.9157.4-178.1-64.3-172.7-179.6-1730111.6I22 G23 R24K20-I22 PolarHBondContact O-N 3.41Å; K20-G23 PolarHBondContact O-N 3.16Å; K20-R24 PolarHBondContact O-N 2.92Å
21G90.1Very high94.9Very high6 Ų619.5 Ų19.56%0.06210%0.096CC..Hα-helixtrans52.2-131.5171.900000113.5G23 R24 G25G21-G23 VanDerWaalsContact C-N 3.29Å; G21-G23 PolarHBondContact O-N 2.76Å; G21-R24 WeakPolarHBondContact O-CB 3.44Å; G21-R24 PolarHBondContact O-N 3.29Å; G21-G25 PolarHBondContact O-N 2.91Å; G21-G25 VanDerWaalsContact O-N 3.07Å
22I93.1Very high94.8Very high29 Ų2920.3 Ų20.315%0.14910%0.101CC..Hα-helixtrans-54.1-44.4-177.5-64.3175.4000112.1K20 R24 G25 I26 N95 I145 P191 V194 T196 C231K20-I22 PolarHBondContact O-N 3.41Å; I22-R24 VanDerWaalsContact C-N 3.32Å; I22-R24 PolarHBondContact O-N 3.18Å; I22-G25 PolarHBondContact O-N 3.31Å; I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.28Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 3.39Å; I22-N95 WeakPolarHBondContact CG2-OD1 3.09Å; I22-I145 HydrophobicContact CG2-CG2 4.36Å; I22-P191 HydrophobicContact CD1-CB 4.26Å; I22-P191 HydrophobicContact CD1-CG 3.96Å; I22-V194 HydrophobicContact CD1-CB 4.34Å; I22-V194 HydrophobicContact CD1-CG1 4.47Å; I22-V194 HydrophobicContact CD1-CG2 4.32Å; I22-V194 HydrophobicContact CG1-CB 4.47Å; I22-V194 HydrophobicContact CG1-CG1 4.09Å; I22-T196 HydrophobicContact CG1-CG2 4.08Å; I22-C231 HydrophobicContact CG1-CB 4.42Å; I22-C231 HydrophobicContact CG2-CB 3.74Å
23G94Very high94.6Very high1 Ų121.3 Ų21.31%0.0111%0.106CC..Hα-helixtrans-60.1-42.3179.200000112.5G18 K20 G21 I26 V27 N95G18-G23 CarbonylContact O-C 3.55Å; K20-G23 PolarHBondContact O-N 3.16Å; G21-G23 VanDerWaalsContact C-N 3.29Å; G21-G23 PolarHBondContact O-N 2.76Å; G23-I26 PolarHBondContact O-N 3.04Å; G23-V27 WeakPolarHBondContact O-CG2 3.37Å; G23-V27 PolarHBondContact O-N 2.99Å; G23-N95 VanDerWaalsContact CA-ND2 3.31Å; G23-N95 WeakPolarHBondContact CA-ND2 3.3Å; G23-N95 PolarHBondContact N-OD1 3.3Å
24R94.9Very high94.4Very high65 Ų6521.4 Ų21.425%0.24511%0.107CC..Hα-helixtrans-62.5-45.2176.1177.8178.2161.9-97.1-3.3111.5G18 K20 G21 I22 I26 V27 K28 L50 F54 E228G18-R24 WeakPolarHBondContact O-CA 3.49Å; G18-R24 PolarHBondContact O-N 3.42Å; K20-R24 PolarHBondContact O-N 2.92Å; G21-R24 WeakPolarHBondContact O-CB 3.44Å; G21-R24 PolarHBondContact O-N 3.29Å; I22-R24 VanDerWaalsContact C-N 3.32Å; I22-R24 PolarHBondContact O-N 3.18Å; R24-I26 VanDerWaalsContact C-N 3.3Å; R24-I26 PolarHBondContact O-N 2.98Å; R24-V27 PolarHBondContact O-N 3.03Å; R24-K28 WeakPolarHBondContact O-CB 3.39Å; R24-K28 PolarHBondContact O-N 3.45Å; R24-L50 HydrophobicContact CG-CD1 4.26Å; R24-L50 HydrophobicContact CG-CD2 4.06Å; R24-F54 HydrophobicContact CG-CE2 4.08Å; R24-F54 HydrophobicContact CG-CZ 3.66Å; R24-E228 IonicContact CZ-OE1 2.77Å; R24-E228 IonicContact NH1-OE1 3.63Å; R24-E228 PolarHBondContact NH1-OE1 3.36Å; R24-E228 IonicContact NH1-OE2 3.85Å; R24-E228 PolarHBondContact NH1-OE2 2.94Å
25G95.3Very high94.3Very high2 Ų221.4 Ų21.42%0.02111%0.107CC..Hα-helixtrans-60.6-37.8175.300000113.2G21 I22 A29 E228G21-G25 PolarHBondContact O-N 2.91Å; G21-G25 VanDerWaalsContact O-N 3.07Å; I22-G25 PolarHBondContact O-N 3.31Å; G25-A29 WeakPolarHBondContact O-CB 3.27Å; G25-A29 PolarHBondContact O-N 3.24Å; G25-E228 WeakPolarHBondContact CA-O 3.27Å
26I97Very high94.3Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-65.1-51.3174.8-68.2167.7000110.8V15 I22 G23 R24 K28 A29 F30 V93 I145 A235V15-I26 HydrophobicContact CG1-CG2 4.18Å; V15-I26 HydrophobicContact CG2-CG2 3.99Å; I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.28Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 3.39Å; G23-I26 PolarHBondContact O-N 3.04Å; R24-I26 VanDerWaalsContact C-N 3.3Å; R24-I26 PolarHBondContact O-N 2.98Å; I26-K28 VanDerWaalsContact C-N 3.3Å; I26-K28 PolarHBondContact O-N 3.19Å; I26-A29 PolarHBondContact O-N 2.8Å; I26-F30 HydrophobicContact CG2-CD2 3.7Å; I26-F30 HydrophobicContact CG2-CE2 3.75Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.43Å; I26-F30 PolarHBondContact O-N 2.92Å; I26-F30 VanDerWaalsContact O-N 3.07Å; I26-V93 HydrophobicContact CD1-CG1 3.99Å; I26-V93 HydrophobicContact CG2-CB 4.5Å; I26-V93 HydrophobicContact CG2-CG1 4.2Å; I26-V93 HydrophobicContact CG2-CG2 4.24Å; I26-I145 HydrophobicContact CD1-CD1 3.96Å; I26-I145 HydrophobicContact CD1-CG1 4.1Å; I26-A235 HydrophobicContact CD1-CB 4.34Å; I26-A235 HydrophobicContact CG1-CB 4.07Å; I26-A235 HydrophobicContact CG2-CB 4.28Å
27V96.7Very high94.3Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-55.4-49.1178.1176.40000110.2V15 G23 R24 A29 F30 V31 V37 F39 F54 C62V15-V27 HydrophobicContact CB-CG2 3.95Å; V15-V27 HydrophobicContact CG1-CG2 4.02Å; V15-V27 HydrophobicContact CG2-CG2 4.07Å; G23-V27 WeakPolarHBondContact O-CG2 3.37Å; G23-V27 PolarHBondContact O-N 2.99Å; R24-V27 PolarHBondContact O-N 3.03Å; V27-A29 PolarHBondContact O-N 3.35Å; V27-F30 PolarHBondContact O-N 3.35Å; V27-V31 HydrophobicContact CG1-CG2 4.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.42Å; V27-V37 HydrophobicContact CB-CG1 4.38Å; V27-V37 HydrophobicContact CG1-CB 4.39Å; V27-V37 HydrophobicContact CG1-CG1 3.97Å; V27-V37 HydrophobicContact CG2-CG1 4.1Å; V27-F39 HydrophobicContact CG1-CD1 4.01Å; V27-F39 HydrophobicContact CG1-CE1 4.42Å; V27-F39 HydrophobicContact CG1-CG 4.38Å; V27-F39 HydrophobicContact CG2-CB 3.63Å; V27-F39 HydrophobicContact CG2-CD1 4.37Å; V27-F39 HydrophobicContact CG2-CD2 4.48Å; V27-F39 HydrophobicContact CG2-CG 3.93Å; V27-F54 HydrophobicContact CB-CD2 4.25Å; V27-F54 HydrophobicContact CB-CE2 4.02Å; V27-F54 HydrophobicContact CG1-CD2 3.54Å; V27-F54 HydrophobicContact CG1-CE2 3.83Å; V27-C62 HydrophobicContact CG1-CB 4.33Å
28K95.5Very high94.6Very high68 Ų6823.9 Ų23.930%0.29611%0.112SC..Hα-helixtrans-55.8-50.7178.1-175178.6174.1-1770112.2R24 I26 F30 V31 E32 F54R24-K28 WeakPolarHBondContact O-CB 3.39Å; R24-K28 PolarHBondContact O-N 3.45Å; I26-K28 VanDerWaalsContact C-N 3.3Å; I26-K28 PolarHBondContact O-N 3.19Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 2.67Å; K28-V31 PolarHBondContact O-N 3.25Å; K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 HydrophobicContact CG-CG 4.34Å; K28-E32 IonicContact NZ-OE1 2.86Å; K28-E32 WeakPolarHBondContact O-CB 3.2Å; K28-E32 WeakPolarHBondContact O-CG 3.18Å; K28-E32 PolarHBondContact O-N 2.89Å; K28-F54 HydrophobicContact CB-CE1 4.21Å; K28-F54 HydrophobicContact CB-CE2 4.08Å; K28-F54 HydrophobicContact CB-CZ 3.77Å; K28-F54 HydrophobicContact CD-CE1 4.4Å; K28-F54 HydrophobicContact CG-CE1 4.3Å; K28-F54 HydrophobicContact CG-CZ 4.34Å
29A95.6Very high94.9Very high5 Ų523.9 Ų23.94%0.04111%0.112CC..Hα-helixtrans-60.4-40.2-178.200000112.6G25 I26 V27 N33G25-A29 WeakPolarHBondContact O-CB 3.27Å; G25-A29 PolarHBondContact O-N 3.24Å; I26-A29 PolarHBondContact O-N 2.8Å; V27-A29 PolarHBondContact O-N 3.35Å; A29-N33 WeakPolarHBondContact O-CB 3.37Å; A29-N33 PolarHBondContact O-N 3.35Å; A29-N33 PolarHBondContact O-ND2 2.94Å
30F96.5Very high95.2Very high0 Ų023 Ų230%011%0.105CC..Hα-helixtrans-70-42.3177-84.2-76.3000112.4Y8 V13 I26 V27 K28 N33 G34 A35 V37 V93 A235 L236 A239Y8-F30 AromaticContact CD1-CD1 3.63Å; Y8-F30 HydrophobicContact CD1-CD1 3.63Å; Y8-F30 AromaticContact CD1-CE1 3.6Å; Y8-F30 HydrophobicContact CD1-CE1 3.6Å; Y8-F30 HydrophobicContact CE1-CD1 4.21Å; Y8-F30 AromaticContact CE1-CE1 3.83Å; Y8-F30 HydrophobicContact CE1-CE1 3.83Å; Y8-F30 HydrophobicContact CG-CD1 4.24Å; Y8-F30 HydrophobicContact CG-CE1 4.12Å; V13-F30 HydrophobicContact CG1-CD1 4.41Å; V13-F30 HydrophobicContact CG1-CD2 4.27Å; V13-F30 HydrophobicContact CG1-CE1 4.42Å; V13-F30 HydrophobicContact CG1-CE2 4.31Å; V13-F30 HydrophobicContact CG1-CG 4.33Å; V13-F30 HydrophobicContact CG1-CZ 4.37Å; V13-F30 HydrophobicContact CG2-CD1 3.61Å; V13-F30 HydrophobicContact CG2-CE1 3.86Å; V13-F30 HydrophobicContact CG2-CG 4.12Å; I26-F30 HydrophobicContact CG2-CD2 3.7Å; I26-F30 HydrophobicContact CG2-CE2 3.75Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.43Å; I26-F30 PolarHBondContact O-N 2.92Å; I26-F30 VanDerWaalsContact O-N 3.07Å; V27-F30 PolarHBondContact O-N 3.35Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-F30 PolarHBondContact O-N 2.67Å; F30-N33 CarbonylContact O-C 3.54Å; F30-N33 PolarHBondContact O-N 2.8Å; F30-N33 VanDerWaalsContact O-N 3.14Å; F30-G34 PolarHBondContact O-N 3.39Å; F30-A35 HydrophobicContact CB-CB 3.96Å; F30-A35 HydrophobicContact CD1-CB 4.15Å; F30-A35 WeakPolarHBondContact O-CB 3.47Å; F30-A35 PolarHBondContact O-N 3.19Å; F30-V37 HydrophobicContact CB-CG2 3.57Å; F30-V93 HydrophobicContact CE2-CG2 4.2Å; F30-A235 HydrophobicContact CE2-CB 4.09Å; F30-L236 HydrophobicContact CD1-CD1 3.94Å; F30-L236 HydrophobicContact CE1-CD1 3.92Å; F30-A239 HydrophobicContact CE1-CB 3.8Å; F30-A239 HydrophobicContact CZ-CB 3.7Å
31V95.6Very high95.5Very high1 Ų117.6 Ų17.61%0.0068%0.084CC..Hα-helixtrans-63-44.7177171.70000111.6V27 K28 N33 G34 V37 F54 G60 C62V27-V31 HydrophobicContact CG1-CG2 4.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.42Å; K28-V31 PolarHBondContact O-N 3.25Å; V31-N33 PolarHBondContact O-N 3.16Å; V31-N33 VanDerWaalsContact O-N 3.17Å; V31-G34 PolarHBondContact O-N 3.15Å; V31-G34 VanDerWaalsContact O-N 3.09Å; V31-V37 HydrophobicContact CG2-CB 4.18Å; V31-V37 HydrophobicContact CG2-CG2 3.77Å; V31-F54 HydrophobicContact CG1-CB 4.49Å; V31-F54 WeakPolarHBondContact CG1-O 3.34Å; V31-G60 WeakPolarHBondContact O-CA 3.42Å; V31-G60 PolarHBondContact O-N 3.38Å; V31-G60 VanDerWaalsContact O-N 3.08Å; V31-C62 HydrophobicContact CG2-CB 3.82Å
32E94.4Very high95.6Very high84 Ų8425.9 Ų25.939%0.39311%0.113SC..Hα-helixtrans-60.9-24.7175.8-73.6179.1163.900112.5L6 K28L6-E32 WeakPolarHBondContact CD2-O 3.48Å; K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 HydrophobicContact CG-CG 4.34Å; K28-E32 IonicContact NZ-OE1 2.86Å; K28-E32 WeakPolarHBondContact O-CB 3.2Å; K28-E32 WeakPolarHBondContact O-CG 3.18Å; K28-E32 PolarHBondContact O-N 2.89Å
33N94.6Very high95.4Very high22 Ų2226.3 Ų26.312%0.11812%0.124CC..THydrogen-bonded Turntrans-98.716.7178.7-77.5-90.6000114.2R7 Y8 Q9 A29 F30 V31 L236R7-N33 PolarHBondContact N-OD1 3.38Å; Y8-N33 CarbonylContact C-O 3.45Å; Y8-N33 VanDerWaalsContact C-O 3.3Å; Y8-N33 PolarHBondContact N-O 3.08Å; Q9-N33 PolarHBondContact N-O 2.92Å; A29-N33 WeakPolarHBondContact O-CB 3.37Å; A29-N33 PolarHBondContact O-N 3.35Å; A29-N33 PolarHBondContact O-ND2 2.94Å; F30-N33 CarbonylContact O-C 3.54Å; F30-N33 PolarHBondContact O-N 2.8Å; F30-N33 VanDerWaalsContact O-N 3.14Å; V31-N33 PolarHBondContact O-N 3.16Å; V31-N33 VanDerWaalsContact O-N 3.17Å; N33-L236 HydrophobicContact CB-CD1 4.05Å; N33-L236 HydrophobicContact CB-CD2 4.07Å; N33-L236 VanDerWaalsContact CG-CD2 3.4Å; N33-L236 VanDerWaalsContact ND2-CD2 3.26Å; N33-L236 WeakPolarHBondContact ND2-CD2 3.46Å
34G93.9Very high95.2Very high1 Ų127.6 Ų27.61%0.0114%0.135CC..THydrogen-bonded Turntrans84.412170.100000115.2Q9 N10 F30 V31Q9-G34 WeakPolarHBondContact CA-O 3.11Å; Q9-G34 PolarHBondContact NE2-O 3.25Å; N10-G34 PolarHBondContact N-O 3.39Å; F30-G34 PolarHBondContact O-N 3.39Å; V31-G34 PolarHBondContact O-N 3.15Å; V31-G34 VanDerWaalsContact O-N 3.09Å
35A96.4Very high95Very high0 Ų028.3 Ų28.30%016%0.155CC..  trans-78.5158.6177.700000112Y8 K11 V13 F30 V37 G60 A61Y8-A35 HydrophobicContact CD1-CB 4.03Å; Y8-A35 WeakPolarHBondContact O-CA 3.02Å; Y8-A35 PolarHBondContact O-N 3.35Å; K11-A35 WeakPolarHBondContact O-CA 3.47Å; V13-A35 HydrophobicContact CG2-CB 4.07Å; F30-A35 HydrophobicContact CB-CB 3.96Å; F30-A35 HydrophobicContact CD1-CB 4.15Å; F30-A35 WeakPolarHBondContact O-CB 3.47Å; F30-A35 PolarHBondContact O-N 3.19Å; A35-V37 HydrophobicContact CB-CG2 4.1Å; A35-G60 CarbonylContact O-C 3.42Å; A35-G60 WeakPolarHBondContact O-CA 3.33Å; A35-A61 PolarHBondContact O-N 3.34Å
36K97.3Very high94.6Very high76 Ų7630.3 Ų30.333%0.3317%0.171SC..EExtended strand (participates in β ladder)trans-98.9110.3166.8-62.4177.5-177.6178.80107.9K11 V12 V13 A61K11-K36 PolarHBondContact O-N 3.4Å; V12-K36 CarbonylContact C-O 3.6Å; V12-K36 WeakPolarHBondContact CA-O 3.48Å; V12-K36 HydrophobicContact CG2-CB 4.46Å; V13-K36 PolarHBondContact N-O 2.71Å; K36-A61 CarbonylContact C-O 3.52Å; K36-A61 VanDerWaalsContact CA-O 3.32Å; K36-A61 WeakPolarHBondContact CA-O 3.3Å
37V97.8Very high94.4Very high0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-110.2115.4-170.5-171.90000111V13 V15 V27 F30 V31 A35 A61 C62 K63V13-V37 HydrophobicContact CB-CG1 4.48Å; V13-V37 HydrophobicContact CB-CG2 4.34Å; V13-V37 CarbonylContact O-C 3.54Å; V13-V37 WeakPolarHBondContact O-CA 3.38Å; V15-V37 HydrophobicContact CG2-CG1 3.76Å; V27-V37 HydrophobicContact CB-CG1 4.38Å; V27-V37 HydrophobicContact CG1-CB 4.39Å; V27-V37 HydrophobicContact CG1-CG1 3.97Å; V27-V37 HydrophobicContact CG2-CG1 4.1Å; F30-V37 HydrophobicContact CB-CG2 3.57Å; V31-V37 HydrophobicContact CG2-CB 4.18Å; V31-V37 HydrophobicContact CG2-CG2 3.77Å; A35-V37 HydrophobicContact CB-CG2 4.1Å; V37-A61 PolarHBondContact N-O 2.9Å; V37-C62 HydrophobicContact CB-CB 4.13Å; V37-C62 CarbonylContact O-C 3.32Å; V37-C62 WeakPolarHBondContact O-CA 3.49Å; V37-C62 WeakPolarHBondContact O-CB 3.22Å; V37-K63 PolarHBondContact O-N 3.46Å
38V98Very high94.3Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-94.3118.6166.8-175.10000108V13 I14 V15 K63 V65 L78 T82V13-V38 PolarHBondContact O-N 3.13Å; I14-V38 CarbonylContact C-O 3.57Å; I14-V38 VanDerWaalsContact CA-O 3.23Å; I14-V38 WeakPolarHBondContact CA-O 3.46Å; V15-V38 PolarHBondContact N-O 3.27Å; V38-K63 WeakPolarHBondContact CA-O 3.18Å; V38-K63 HydrophobicContact CG2-CB 4.44Å; V38-V65 HydrophobicContact CG1-CG2 3.75Å; V38-L78 HydrophobicContact CG1-CD1 3.89Å; V38-T82 HydrophobicContact CB-CG2 4.25Å; V38-T82 WeakPolarHBondContact CB-OG1 3.43Å; V38-T82 WeakPolarHBondContact CG1-OG1 3.21Å; V38-T82 HydrophobicContact CG2-CG2 3.78Å
39F97.8Very high94.1Very high0 Ų035.3 Ų35.30%021%0.206CC..EExtended strand (participates in β ladder)trans-124.3151.1-178.872-82.1000111.6V15 V27 G47 L50 E51 C62 K63 F64 V65V15-F39 HydrophobicContact CB-CB 4.13Å; V15-F39 VanDerWaalsContact O-CA 3.25Å; V15-F39 WeakPolarHBondContact O-CA 3.43Å; V27-F39 HydrophobicContact CG1-CD1 4.01Å; V27-F39 HydrophobicContact CG1-CE1 4.42Å; V27-F39 HydrophobicContact CG1-CG 4.38Å; V27-F39 HydrophobicContact CG2-CB 3.63Å; V27-F39 HydrophobicContact CG2-CD1 4.37Å; V27-F39 HydrophobicContact CG2-CD2 4.48Å; V27-F39 HydrophobicContact CG2-CG 3.93Å; F39-G47 WeakPolarHBondContact CZ-O 3.41Å; F39-L50 HydrophobicContact CE2-CB 4.35Å; F39-L50 HydrophobicContact CZ-CB 4.06Å; F39-E51 HydrophobicContact CE1-CB 4.37Å; F39-E51 HydrophobicContact CZ-CB 4.27Å; F39-C62 HydrophobicContact CD1-CB 4.13Å; F39-C62 HydrophobicContact CE1-CB 3.99Å; F39-K63 WeakPolarHBondContact CD1-O 3.5Å; F39-K63 PolarHBondContact N-O 3.42Å; F39-F64 AromaticContact CD2-CD2 3.97Å; F39-F64 HydrophobicContact CD2-CD2 3.97Å; F39-F64 HydrophobicContact CE1-CB 4.07Å; F39-F64 HydrophobicContact CE2-CB 4.11Å; F39-F64 AromaticContact CE2-CD2 3.59Å; F39-F64 HydrophobicContact CE2-CD2 3.59Å; F39-F64 HydrophobicContact CE2-CG 4.26Å; F39-F64 HydrophobicContact CZ-CB 3.72Å; F39-F64 HydrophobicContact CZ-CD2 4.1Å; F39-F64 HydrophobicContact CZ-CG 4.33Å; F39-F64 WeakPolarHBondContact O-CA 3.3Å; F39-V65 PolarHBondContact O-N 3.44Å
40C96.8Very high94Very high0 Ų035.7 Ų35.70%021%0.207CC..EExtended strand (participates in β ladder)trans-130.6152.6-176.2830000113.6V15 G17 G18 V65 C67 L78V15-C40 PolarHBondContact O-N 3.4Å; G17-C40 CarbonylContact C-O 3.5Å; G17-C40 WeakPolarHBondContact CA-O 3.33Å; G17-C40 PolarHBondContact N-O 3.46Å; G18-C40 PolarHBondContact N-O 3.38Å; C40-V65 WeakPolarHBondContact CA-O 3.44Å; C40-V65 WeakPolarHBondContact CB-O 3.25Å; C40-C67 HydrophobicContact CB-CB 3.59Å; C40-L78 HydrophobicContact CB-CD1 3.78Å; C40-L78 HydrophobicContact CB-CD2 3.86Å; C40-L78 HydrophobicContact CB-CG 4.45Å; C40-L78 VanDerWaalsContact SG-CD2 3.57Å
41A94.8Very high94Very high9 Ų937.3 Ų37.37%0.07422%0.215CC..EExtended strand (participates in β ladder)trans-162.1167.8171.100000109.3S19 F64 E66 C67S19-A41 WeakPolarHBondContact OG-CB 3.3Å; A41-F64 HydrophobicContact CB-CE2 4.11Å; A41-E66 WeakPolarHBondContact O-CA 3.45Å; A41-C67 CarbonylContact C-O 3.47Å; A41-C67 VanDerWaalsContact C-O 3.32Å; A41-C67 PolarHBondContact O-N 3.24Å
42R91.5Very high93.9Very high181 Ų18142 Ų4268%0.68324%0.243SC*.SBendtrans-74.6-24.3175.8-64.4-179.7-63.9172.71.6114D68R42-D68 HydrophobicContact CG-CB 4.16Å
43G89.1Confident93.8Very high37 Ų3741.7 Ų41.738%0.38124%0.242SC..  trans-95.6102.7-174.200000111.9G47G43-G47 PolarHBondContact O-N 2.89Å; G43-G47 VanDerWaalsContact O-N 3.13Å
44A89.3Confident93.8Very high29 Ų2940.7 Ų40.724%0.2424%0.237CC..Hα-helixtrans-56.5-55.1-177.200000113.2A46 G47 E48 F64A44-A46 PolarHBondContact O-N 2.82Å; A44-G47 WeakPolarHBondContact O-CA 3.48Å; A44-G47 PolarHBondContact O-N 3.17Å; A44-E48 WeakPolarHBondContact O-CG 3.44Å; A44-E48 PolarHBondContact O-N 2.94Å; A44-F64 HydrophobicContact CB-CE1 4.36Å
45A90.6Very high93.8Very high79 Ų7943.8 Ų43.865%0.65325%0.253SS*.Hα-helixtrans-58-42.8-176.100000113.6G47 A49A45-G47 VanDerWaalsContact C-N 3.35Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3.08Å; A45-A49 VanDerWaalsContact O-N 3.09Å
46A88.6Confident93.5Very high45 Ų4549.2 Ų49.237%0.37229%0.286SS..Hα-helixtrans-69.3-34.7177.900000112.1A44 L50A44-A46 PolarHBondContact O-N 2.82Å; A46-L50 WeakPolarHBondContact O-CG 3.33Å; A46-L50 PolarHBondContact O-N 3.37Å
47G91.5Very high92.8Very high0 Ų049.6 Ų49.60%029%0.291CS..Hα-helixtrans-67.4-47.4175.400000112.9F39 G43 A44 A45 A49 L50 E51 F64F39-G47 WeakPolarHBondContact CZ-O 3.41Å; G43-G47 PolarHBondContact O-N 2.89Å; G43-G47 VanDerWaalsContact O-N 3.13Å; A44-G47 WeakPolarHBondContact O-CA 3.48Å; A44-G47 PolarHBondContact O-N 3.17Å; A45-G47 VanDerWaalsContact C-N 3.35Å; G47-A49 PolarHBondContact O-N 3.01Å; G47-L50 PolarHBondContact O-N 3.21Å; G47-E51 PolarHBondContact O-N 3Å; G47-F64 VanDerWaalsContact CA-CD2 3.48Å
48E94.1Very high91.7Very high112 Ų11250.6 Ų50.652%0.52330%0.302SS..Hα-helixtrans-64.4-39.3179.3-70171.5179.300112.6A44 L50 E51 T52 F64A44-E48 WeakPolarHBondContact O-CG 3.44Å; A44-E48 PolarHBondContact O-N 2.94Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 2.83Å; E48-E51 PolarHBondContact O-N 3.46Å; E48-T52 PolarHBondContact O-N 2.93Å; E48-T52 PolarHBondContact O-OG1 3.43Å; E48-F64 HydrophobicContact CG-CD1 3.98Å; E48-F64 HydrophobicContact CG-CE1 4.44Å
49A93Very high91.3Very high61 Ų6154.2 Ų54.250%0.50433%0.326SS..Hα-helixtrans-61.2-43.5174.300000111.4A45 G47 T52 E53A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3.08Å; A45-A49 VanDerWaalsContact O-N 3.09Å; G47-A49 PolarHBondContact O-N 3.01Å; A49-T52 PolarHBondContact O-N 2.96Å; A49-E53 PolarHBondContact O-N 3.05Å
50L93.2Very high91.1Very high12 Ų1254.9 Ų54.96%0.06333%0.333CS..Hα-helixtrans-68.9-36.9176.6-78.6171.3000113.2S19 R24 F39 A46 G47 E48 T52 E53 F54S19-L50 WeakPolarHBondContact O-CD1 3.22Å; R24-L50 HydrophobicContact CG-CD1 4.26Å; R24-L50 HydrophobicContact CG-CD2 4.06Å; F39-L50 HydrophobicContact CE2-CB 4.35Å; F39-L50 HydrophobicContact CZ-CB 4.06Å; A46-L50 WeakPolarHBondContact O-CG 3.33Å; A46-L50 PolarHBondContact O-N 3.37Å; G47-L50 PolarHBondContact O-N 3.21Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 2.83Å; L50-T52 VanDerWaalsContact C-N 3.27Å; L50-T52 PolarHBondContact O-N 2.85Å; L50-E53 PolarHBondContact O-N 3.34Å; L50-F54 HydrophobicContact CD2-CE1 4.06Å; L50-F54 HydrophobicContact CD2-CE2 4.04Å; L50-F54 HydrophobicContact CD2-CZ 3.75Å; L50-F54 WeakPolarHBondContact O-CB 3.27Å; L50-F54 WeakPolarHBondContact O-CG 3.44Å; L50-F54 PolarHBondContact O-N 2.83Å
51E95.4Very high91Very high34 Ų3457 Ų5716%0.15935%0.35CS..Hα-helixtrans-56.7-46.9172.6178.4178.6159.600110F39 G47 E48 N55 K63 F64F39-E51 HydrophobicContact CE1-CB 4.37Å; F39-E51 HydrophobicContact CZ-CB 4.27Å; G47-E51 PolarHBondContact O-N 3Å; E48-E51 PolarHBondContact O-N 3.46Å; E51-N55 WeakPolarHBondContact CG-ND2 3.49Å; E51-N55 VanDerWaalsContact O-CB 3.27Å; E51-N55 WeakPolarHBondContact O-CB 3.16Å; E51-N55 VanDerWaalsContact O-CG 3.24Å; E51-N55 PolarHBondContact O-N 3.2Å; E51-N55 VanDerWaalsContact O-N 3.11Å; E51-N55 PolarHBondContact O-ND2 3.44Å; E51-K63 WeakPolarHBondContact OE1-CD 3.24Å; E51-K63 IonicContact OE1-NZ 2.61Å; E51-K63 PolarHBondContact OE1-NZ 2.88Å; E51-K63 IonicContact OE2-NZ 2.62Å; E51-K63 PolarHBondContact OE2-NZ 3.41Å; E51-F64 HydrophobicContact CB-CB 4.09Å; E51-F64 VanDerWaalsContact OE2-CB 3.31Å; E51-F64 WeakPolarHBondContact OE2-CB 3.22Å; E51-F64 PolarHBondContact OE2-N 3.4Å
52T93.9Very high91.1Very high99 Ų9957 Ų5761%0.60735%0.349SS*.Hα-helixtrans-63.4-47.7178.6-54.90000111.4E48 A49 L50E48-T52 PolarHBondContact O-N 2.93Å; E48-T52 PolarHBondContact O-OG1 3.43Å; A49-T52 PolarHBondContact O-N 2.96Å; L50-T52 VanDerWaalsContact C-N 3.27Å; L50-T52 PolarHBondContact O-N 2.85Å
53E93.3Very high91.3Very high78 Ų7852.4 Ų52.436%0.36433%0.334SS..Hα-helixtrans-58.2-55.6178.5-174-170.9155.200110.9A49 L50 N55 T56 L57A49-E53 PolarHBondContact O-N 3.05Å; L50-E53 PolarHBondContact O-N 3.34Å; E53-N55 PolarHBondContact O-N 3.35Å; E53-T56 PolarHBondContact O-N 3.48Å; E53-T56 PolarHBondContact O-OG1 2.95Å; E53-L57 HydrophobicContact CG-CD1 4.28Å
54F94.1Very high91.7Very high2 Ų251.2 Ų51.21%0.00932%0.319CS..Hα-helixtrans-73.1-28.3-169.6-69.2-9000113.5R24 V27 K28 V31 L50 T56 L57R24-F54 HydrophobicContact CG-CE2 4.08Å; R24-F54 HydrophobicContact CG-CZ 3.66Å; V27-F54 HydrophobicContact CB-CD2 4.25Å; V27-F54 HydrophobicContact CB-CE2 4.02Å; V27-F54 HydrophobicContact CG1-CD2 3.54Å; V27-F54 HydrophobicContact CG1-CE2 3.83Å; K28-F54 HydrophobicContact CB-CE1 4.21Å; K28-F54 HydrophobicContact CB-CE2 4.08Å; K28-F54 HydrophobicContact CB-CZ 3.77Å; K28-F54 HydrophobicContact CD-CE1 4.4Å; K28-F54 HydrophobicContact CG-CE1 4.3Å; K28-F54 HydrophobicContact CG-CZ 4.34Å; V31-F54 HydrophobicContact CG1-CB 4.49Å; V31-F54 WeakPolarHBondContact CG1-O 3.34Å; L50-F54 HydrophobicContact CD2-CE1 4.06Å; L50-F54 HydrophobicContact CD2-CE2 4.04Å; L50-F54 HydrophobicContact CD2-CZ 3.75Å; L50-F54 WeakPolarHBondContact O-CB 3.27Å; L50-F54 WeakPolarHBondContact O-CG 3.44Å; L50-F54 PolarHBondContact O-N 2.83Å; F54-T56 PolarHBondContact O-N 2.61Å; F54-T56 VanDerWaalsContact O-N 3.16Å; F54-L57 HydrophobicContact CD1-CD1 3.52Å; F54-L57 HydrophobicContact CE1-CD1 3.95Å; F54-L57 PolarHBondContact O-N 3.24Å; F54-L57 VanDerWaalsContact O-N 3.16Å
55N93.3Very high92.1Very high66 Ų6650.9 Ų50.935%0.35331%0.314SS..Hα-helixtrans-66.3-11.3171.8-76.5-31.3000113.6E51 E53 A61 C62E51-N55 WeakPolarHBondContact CG-ND2 3.49Å; E51-N55 VanDerWaalsContact O-CB 3.27Å; E51-N55 WeakPolarHBondContact O-CB 3.16Å; E51-N55 VanDerWaalsContact O-CG 3.24Å; E51-N55 PolarHBondContact O-N 3.2Å; E51-N55 VanDerWaalsContact O-N 3.11Å; E51-N55 PolarHBondContact O-ND2 3.44Å; E53-N55 PolarHBondContact O-N 3.35Å; N55-A61 WeakPolarHBondContact OD1-CA 3.25Å; N55-C62 PolarHBondContact ND2-O 3.45Å; N55-C62 PolarHBondContact OD1-N 3.13Å; N55-C62 PolarHBondContact OD1-O 2.8Å
56T91.1Very high92.4Very high113 Ų11352.8 Ų52.869%0.69331%0.309SS*.Hα-helixtrans-99.8-14.1173.468.70000114.1E53 F54E53-T56 PolarHBondContact O-N 3.48Å; E53-T56 PolarHBondContact O-OG1 2.95Å; F54-T56 PolarHBondContact O-N 2.61Å; F54-T56 VanDerWaalsContact O-N 3.16Å
57L81.6Confident92.8Very high84 Ų8450.7 Ų50.744%0.4429%0.292SS..Hα-helixtrans-88.3-28.9-170.3-73.2179.2000114.6E53 F54E53-L57 HydrophobicContact CG-CD1 4.28Å; F54-L57 HydrophobicContact CD1-CD1 3.52Å; F54-L57 HydrophobicContact CE1-CD1 3.95Å; F54-L57 PolarHBondContact O-N 3.24Å; F54-L57 VanDerWaalsContact O-N 3.16Å
58G76.1Confident92.9Very high22 Ų2252.5 Ų52.523%0.22730%0.301CS..SBendtrans-141.4169.9-165.500000114.8G60G58-G60 PolarHBondContact O-N 2.84Å
59P88.7Confident93Very high76 Ų7647.8 Ų47.849%0.49428%0.28SS..SBendtrans-75.1-9.6174.931-33.3000113.2L6L6-P59 HydrophobicContact CD1-CB 4.05Å; L6-P59 HydrophobicContact CD1-CG 3.69Å; L6-P59 HydrophobicContact CD2-CG 3.53Å; L6-P59 HydrophobicContact CG-CG 4.29Å
60G92.7Very high93Very high14 Ų1447.8 Ų47.814%0.14427%0.274CS..SBendtrans-81-171.5171.400000112.4V31 A35 G58V31-G60 WeakPolarHBondContact O-CA 3.42Å; V31-G60 PolarHBondContact O-N 3.38Å; V31-G60 VanDerWaalsContact O-N 3.08Å; A35-G60 CarbonylContact O-C 3.42Å; A35-G60 WeakPolarHBondContact O-CA 3.33Å; G58-G60 PolarHBondContact O-N 2.84Å
61A95.3Very high93.1Very high45 Ų4552.2 Ų52.237%0.37229%0.293SS..EExtended strand (participates in β ladder)trans-142.5156.5172.700000109.1A35 K36 V37 N55A35-A61 PolarHBondContact O-N 3.34Å; K36-A61 CarbonylContact C-O 3.52Å; K36-A61 VanDerWaalsContact CA-O 3.32Å; K36-A61 WeakPolarHBondContact CA-O 3.3Å; V37-A61 PolarHBondContact N-O 2.9Å; N55-A61 WeakPolarHBondContact OD1-CA 3.25Å
62C96.3Very high93.1Very high8 Ų854.8 Ų54.85%0.05431%0.305CS..EExtended strand (participates in β ladder)trans-134.2153.317266.30000111.9V27 V31 V37 F39 N55V27-C62 HydrophobicContact CG1-CB 4.33Å; V31-C62 HydrophobicContact CG2-CB 3.82Å; V37-C62 HydrophobicContact CB-CB 4.13Å; V37-C62 CarbonylContact O-C 3.32Å; V37-C62 WeakPolarHBondContact O-CA 3.49Å; V37-C62 WeakPolarHBondContact O-CB 3.22Å; F39-C62 HydrophobicContact CD1-CB 4.13Å; F39-C62 HydrophobicContact CE1-CB 3.99Å; N55-C62 PolarHBondContact ND2-O 3.45Å; N55-C62 PolarHBondContact OD1-N 3.13Å; N55-C62 PolarHBondContact OD1-O 2.8Å
63K97.3Very high93.3Very high84 Ų8455 Ų5537%0.36530%0.302SS..EExtended strand (participates in β ladder)trans-130.8127.8174.4-176.663.7-167.2150.90109.8V37 V38 F39 E51 L85V37-K63 PolarHBondContact O-N 3.46Å; V38-K63 WeakPolarHBondContact CA-O 3.18Å; V38-K63 HydrophobicContact CG2-CB 4.44Å; F39-K63 WeakPolarHBondContact CD1-O 3.5Å; F39-K63 PolarHBondContact N-O 3.42Å; E51-K63 WeakPolarHBondContact OE1-CD 3.24Å; E51-K63 IonicContact OE1-NZ 2.61Å; E51-K63 PolarHBondContact OE1-NZ 2.88Å; E51-K63 IonicContact OE2-NZ 2.62Å; E51-K63 PolarHBondContact OE2-NZ 3.41Å; K63-L85 HydrophobicContact CB-CD1 4.43Å; K63-L85 HydrophobicContact CG-CD1 3.94Å
64F97.8Very high93.5Very high12 Ų1254.5 Ų54.55%0.05330%0.3CS..EExtended strand (participates in β ladder)trans-84.9138.6171.6174.8-109.6000110.7F39 A41 A44 G47 E48 E51 E66F39-F64 AromaticContact CD2-CD2 3.97Å; F39-F64 HydrophobicContact CD2-CD2 3.97Å; F39-F64 HydrophobicContact CE1-CB 4.07Å; F39-F64 HydrophobicContact CE2-CB 4.11Å; F39-F64 AromaticContact CE2-CD2 3.59Å; F39-F64 HydrophobicContact CE2-CD2 3.59Å; F39-F64 HydrophobicContact CE2-CG 4.26Å; F39-F64 HydrophobicContact CZ-CB 3.72Å; F39-F64 HydrophobicContact CZ-CD2 4.1Å; F39-F64 HydrophobicContact CZ-CG 4.33Å; F39-F64 WeakPolarHBondContact O-CA 3.3Å; A41-F64 HydrophobicContact CB-CE2 4.11Å; A44-F64 HydrophobicContact CB-CE1 4.36Å; G47-F64 VanDerWaalsContact CA-CD2 3.48Å; E48-F64 HydrophobicContact CG-CD1 3.98Å; E48-F64 HydrophobicContact CG-CE1 4.44Å; E51-F64 HydrophobicContact CB-CB 4.09Å; E51-F64 VanDerWaalsContact OE2-CB 3.31Å; E51-F64 WeakPolarHBondContact OE2-CB 3.22Å; E51-F64 PolarHBondContact OE2-N 3.4Å; F64-E66 HydrophobicContact CE1-CB 4.08Å; F64-E66 HydrophobicContact CZ-CB 4.06Å
65V97.2Very high93.6Very high23 Ų2354.5 Ų54.514%0.13930%0.3CS..EExtended strand (participates in β ladder)trans-131.8120.7170.7-179.70000108V38 F39 C40 C67 L78 V81V38-V65 HydrophobicContact CG1-CG2 3.75Å; F39-V65 PolarHBondContact O-N 3.44Å; C40-V65 WeakPolarHBondContact CA-O 3.44Å; C40-V65 WeakPolarHBondContact CB-O 3.25Å; V65-C67 PolarHBondContact O-N 2.68Å; V65-L78 HydrophobicContact CB-CD1 3.76Å; V65-L78 HydrophobicContact CG1-CD1 4.03Å; V65-L78 HydrophobicContact CG2-CD1 4.15Å; V65-V81 HydrophobicContact CG2-CG1 3.9Å
66E96.8Very high93.8Very high119 Ų11956.6 Ų56.656%0.55631%0.308SS*.EExtended strand (participates in β ladder)trans-64126173.3-170.9177.9179.900109.8A41 F64A41-E66 WeakPolarHBondContact O-CA 3.45Å; F64-E66 HydrophobicContact CE1-CB 4.08Å; F64-E66 HydrophobicContact CZ-CB 4.06Å
67C95.8Very high94.1Very high1 Ų157.6 Ų57.61%0.00730%0.299CS..  trans-155.8126.8-177.3-174.80000110.6C40 A41 V65 Q74C40-C67 HydrophobicContact CB-CB 3.59Å; A41-C67 CarbonylContact C-O 3.47Å; A41-C67 VanDerWaalsContact C-O 3.32Å; A41-C67 PolarHBondContact O-N 3.24Å; V65-C67 PolarHBondContact O-N 2.68Å; C67-Q74 VanDerWaalsContact SG-C 3.58Å
68D95.5Very high94.8Very high37 Ų3753.7 Ų53.720%0.19828%0.278CS..  trans-88.1109.7159.3-170.6-17.7000109.2R42 T70 K71R42-D68 HydrophobicContact CG-CB 4.16Å; D68-T70 PolarHBondContact O-N 2.94Å; D68-T70 VanDerWaalsContact O-N 3.1Å; D68-T70 WeakPolarHBondContact OD1-CB 3.28Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.37Å; D68-T70 PolarHBondContact OD1-N 2.83Å; D68-T70 PolarHBondContact OD1-OG1 2.85Å; D68-T70 PolarHBondContact OD2-OG1 2.71Å; D68-K71 HydrophobicContact CB-CG 4.08Å; D68-K71 PolarHBondContact O-N 3.3Å
69V94.5Very high95.9Very high13 Ų1352.9 Ų52.98%0.07927%0.269CS..THydrogen-bonded Turntrans-69.7-2.8-179.5-57.50000113.5T16 K71 I75 A96 L119 S123T16-V69 HydrophobicContact CG2-CG1 4.46Å; V69-K71 VanDerWaalsContact C-N 3.29Å; V69-I75 HydrophobicContact CB-CD1 4.38Å; V69-I75 HydrophobicContact CB-CG1 4.47Å; V69-I75 VanDerWaalsContact O-CD1 3.25Å; V69-I75 WeakPolarHBondContact O-CD1 3.36Å; V69-A96 HydrophobicContact CB-CB 4.47Å; V69-A96 HydrophobicContact CG1-CB 4.09Å; V69-A96 HydrophobicContact CG2-CB 3.76Å; V69-L119 HydrophobicContact CG2-CD1 3.78Å; V69-S123 WeakPolarHBondContact O-CB 3.32Å
70T93.4Very high96.3Very high62 Ų6250.7 Ų50.738%0.3826%0.257SS..THydrogen-bonded Turntrans-83.6-8.3169.968.30000112.6D68 L119D68-T70 PolarHBondContact O-N 2.94Å; D68-T70 VanDerWaalsContact O-N 3.1Å; D68-T70 WeakPolarHBondContact OD1-CB 3.28Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.37Å; D68-T70 PolarHBondContact OD1-N 2.83Å; D68-T70 PolarHBondContact OD1-OG1 2.85Å; D68-T70 PolarHBondContact OD2-OG1 2.71Å; T70-L119 HydrophobicContact CG2-CB 4.19Å; T70-L119 HydrophobicContact CG2-CD1 3.92Å
71K95.8Very high96.5Very high104 Ų10451 Ų5145%0.45226%0.256SS..  trans-108.6118.2-178.1-58.1-61.8-177.2-179.70110.4D68 V69 D73 Q74 I75D68-K71 HydrophobicContact CB-CG 4.08Å; D68-K71 PolarHBondContact O-N 3.3Å; V69-K71 VanDerWaalsContact C-N 3.29Å; K71-D73 VanDerWaalsContact C-N 3.34Å; K71-D73 WeakPolarHBondContact CB-OD1 3.48Å; K71-D73 PolarHBondContact O-N 3.18Å; K71-Q74 HydrophobicContact CB-CB 4.1Å; K71-Q74 HydrophobicContact CB-CG 3.86Å; K71-Q74 PolarHBondContact O-N 2.87Å; K71-I75 PolarHBondContact O-N 3Å; K71-I75 VanDerWaalsContact O-N 3.16Å
72E96.1Very high96.6Very high88 Ų8848.9 Ų48.941%0.41124%0.239SC..Hα-helixtrans-60.7-42.5-176.4-175.8171-172.400112.2Q74 I75 Q76 L126 K129 F130E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 2.97Å; E72-I75 PolarHBondContact O-N 3.35Å; E72-Q76 WeakPolarHBondContact O-CB 3.16Å; E72-Q76 PolarHBondContact O-N 2.61Å; E72-L126 HydrophobicContact CB-CD1 4.03Å; E72-L126 HydrophobicContact CG-CD1 4.17Å; E72-L126 HydrophobicContact CG-CD2 4.09Å; E72-K129 IonicContact OE1-NZ 3.51Å; E72-K129 PolarHBondContact OE1-NZ 3.07Å; E72-K129 VanDerWaalsContact OE1-NZ 3.15Å; E72-F130 HydrophobicContact CG-CE2 3.71Å; E72-F130 HydrophobicContact CG-CZ 3.68Å; E72-F130 WeakPolarHBondContact OE1-CZ 3.41Å
73D97Very high96.6Very high105 Ų10550 Ų5056%0.56125%0.245SC*.Hα-helixtrans-61.4-38.5178.960.1-62.9000112.3K71 Q76 R77K71-D73 VanDerWaalsContact C-N 3.34Å; K71-D73 WeakPolarHBondContact CB-OD1 3.48Å; K71-D73 PolarHBondContact O-N 3.18Å; D73-Q76 PolarHBondContact O-N 2.86Å; D73-R77 WeakPolarHBondContact O-CB 3.06Å; D73-R77 PolarHBondContact O-N 3.17Å
74Q97.2Very high96.6Very high67 Ų6752.3 Ų52.331%0.31326%0.257SS..Hα-helixtrans-73.2-38.6179-60.5-166.719.600112C67 K71 E72 Q76 R77 L78C67-Q74 VanDerWaalsContact SG-C 3.58Å; K71-Q74 HydrophobicContact CB-CB 4.1Å; K71-Q74 HydrophobicContact CB-CG 3.86Å; K71-Q74 PolarHBondContact O-N 2.87Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 2.97Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-R77 PolarHBondContact O-N 2.86Å; Q74-L78 PolarHBondContact O-N 2.82Å
75I97.2Very high96.5Very high2 Ų256.1 Ų56.11%0.0128%0.277CS..Hα-helixtrans-61.4-45.2171.6-65174.7000109.9V69 K71 E72 R77 L78 I79 L126 A127 F130V69-I75 HydrophobicContact CB-CD1 4.38Å; V69-I75 HydrophobicContact CB-CG1 4.47Å; V69-I75 VanDerWaalsContact O-CD1 3.25Å; V69-I75 WeakPolarHBondContact O-CD1 3.36Å; K71-I75 PolarHBondContact O-N 3Å; K71-I75 VanDerWaalsContact O-N 3.16Å; E72-I75 PolarHBondContact O-N 3.35Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 2.91Å; I75-L78 WeakPolarHBondContact O-CB 3.4Å; I75-L78 PolarHBondContact O-N 2.97Å; I75-I79 WeakPolarHBondContact O-CG1 3.47Å; I75-I79 PolarHBondContact O-N 3.16Å; I75-I79 VanDerWaalsContact O-N 3.14Å; I75-L126 HydrophobicContact CD1-CB 3.79Å; I75-L126 HydrophobicContact CD1-CD1 4.18Å; I75-A127 HydrophobicContact CG2-CB 4.05Å; I75-F130 HydrophobicContact CG2-CD2 3.86Å; I75-F130 HydrophobicContact CG2-CE2 4.46Å
76Q96.6Very high96.5Very high109 Ų10957.4 Ų57.451%0.50928%0.282SS..Hα-helixtrans-60.2-42.2178.1-172.7177.8-3.700111.1E72 D73 Q74 I79 A80 F130E72-Q76 WeakPolarHBondContact O-CB 3.16Å; E72-Q76 PolarHBondContact O-N 2.61Å; D73-Q76 PolarHBondContact O-N 2.86Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q76-I79 PolarHBondContact O-N 2.51Å; Q76-A80 WeakPolarHBondContact O-CB 3.46Å; Q76-A80 PolarHBondContact O-N 3.37Å; Q76-F130 HydrophobicContact CB-CD2 4.33Å; Q76-F130 HydrophobicContact CB-CE2 4.11Å; Q76-F130 HydrophobicContact CB-CZ 4.21Å; Q76-F130 HydrophobicContact CG-CD1 4.46Å; Q76-F130 HydrophobicContact CG-CE1 4.36Å
77R97Very high96.4Very high135 Ų13554.1 Ų54.151%0.50928%0.28SS..Hα-helixtrans-61.9-41.4174.8-177.959.6176.5153.53.4112.2D73 Q74 I75 I79 A80 V81 E84D73-R77 WeakPolarHBondContact O-CB 3.06Å; D73-R77 PolarHBondContact O-N 3.17Å; Q74-R77 PolarHBondContact O-N 2.86Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 2.91Å; R77-I79 VanDerWaalsContact C-N 3.35Å; R77-I79 PolarHBondContact O-N 3.4Å; R77-A80 PolarHBondContact O-N 3.17Å; R77-V81 HydrophobicContact CG-CG2 4.22Å; R77-V81 VanDerWaalsContact CZ-CG2 3.42Å; R77-V81 WeakPolarHBondContact O-CB 3.33Å; R77-V81 WeakPolarHBondContact O-CG2 3.37Å; R77-V81 PolarHBondContact O-N 2.9Å; R77-E84 IonicContact NH1-OE1 3.05Å; R77-E84 PolarHBondContact NH1-OE1 3.36Å; R77-E84 IonicContact NH1-OE2 3.62Å; R77-E84 PolarHBondContact NH1-OE2 3.5Å
78L97.6Very high96.4Very high2 Ų256 Ų561%0.0129%0.289CS..Hα-helixtrans-57.1-46.8176.4174.466.4000111.9I14 T16 V38 C40 V65 Q74 I75 T82I14-L78 HydrophobicContact CG2-CD2 4.02Å; I14-L78 HydrophobicContact CG2-CG 4.26Å; T16-L78 HydrophobicContact CG2-CD2 4.35Å; V38-L78 HydrophobicContact CG1-CD1 3.89Å; C40-L78 HydrophobicContact CB-CD1 3.78Å; C40-L78 HydrophobicContact CB-CD2 3.86Å; C40-L78 HydrophobicContact CB-CG 4.45Å; C40-L78 VanDerWaalsContact SG-CD2 3.57Å; V65-L78 HydrophobicContact CB-CD1 3.76Å; V65-L78 HydrophobicContact CG1-CD1 4.03Å; V65-L78 HydrophobicContact CG2-CD1 4.15Å; Q74-L78 PolarHBondContact O-N 2.82Å; I75-L78 WeakPolarHBondContact O-CB 3.4Å; I75-L78 PolarHBondContact O-N 2.97Å; L78-T82 PolarHBondContact O-N 2.92Å; L78-T82 VanDerWaalsContact O-N 3.13Å; L78-T82 PolarHBondContact O-OG1 3.15Å
79I97.8Very high96.5Very high4 Ų454.2 Ų54.22%0.02128%0.279CS..Hα-helixtrans-65.8-45.3177.3-55.1-51.7000110.4I14 I75 Q76 R77 V81 T82 V83 F130 A131 Y134I14-I79 HydrophobicContact CD1-CD1 3.46Å; I14-I79 VanDerWaalsContact CD1-CD1 3.46Å; I14-I79 HydrophobicContact CG2-CD1 4.48Å; I75-I79 WeakPolarHBondContact O-CG1 3.47Å; I75-I79 PolarHBondContact O-N 3.16Å; I75-I79 VanDerWaalsContact O-N 3.14Å; Q76-I79 PolarHBondContact O-N 2.51Å; R77-I79 VanDerWaalsContact C-N 3.35Å; R77-I79 PolarHBondContact O-N 3.4Å; I79-V81 PolarHBondContact O-N 3.08Å; I79-T82 WeakPolarHBondContact O-CB 3.48Å; I79-T82 PolarHBondContact O-N 3Å; I79-V83 HydrophobicContact CG2-CG2 4.43Å; I79-V83 WeakPolarHBondContact O-CG2 3.38Å; I79-V83 PolarHBondContact O-N 2.91Å; I79-F130 HydrophobicContact CB-CB 4.42Å; I79-F130 HydrophobicContact CG1-CB 3.81Å; I79-A131 HydrophobicContact CD1-CB 4.15Å; I79-Y134 HydrophobicContact CG2-CD2 3.83Å; I79-Y134 HydrophobicContact CG2-CE2 3.7Å
80A96.9Very high96.7Very high31 Ų3153.8 Ų53.826%0.25628%0.276SS..Hα-helixtrans-58.6-48.4179.500000112.2Q76 R77 T82 V83 E84Q76-A80 WeakPolarHBondContact O-CB 3.46Å; Q76-A80 PolarHBondContact O-N 3.37Å; R77-A80 PolarHBondContact O-N 3.17Å; A80-T82 VanDerWaalsContact C-N 3.29Å; A80-T82 PolarHBondContact O-N 3.01Å; A80-V83 PolarHBondContact O-N 3.46Å; A80-V83 VanDerWaalsContact O-N 3.16Å; A80-E84 WeakPolarHBondContact O-CB 3.34Å; A80-E84 WeakPolarHBondContact O-CG 3.35Å; A80-E84 PolarHBondContact O-N 3.3Å
81V97Very high96.9Very high21 Ų2150.8 Ų50.813%0.12726%0.258CS..Hα-helixtrans-59.2-41.5176.41690000111.1V65 R77 I79 V83 E84 L85V65-V81 HydrophobicContact CG2-CG1 3.9Å; R77-V81 HydrophobicContact CG-CG2 4.22Å; R77-V81 VanDerWaalsContact CZ-CG2 3.42Å; R77-V81 WeakPolarHBondContact O-CB 3.33Å; R77-V81 WeakPolarHBondContact O-CG2 3.37Å; R77-V81 PolarHBondContact O-N 2.9Å; I79-V81 PolarHBondContact O-N 3.08Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 2.82Å; V81-E84 PolarHBondContact O-N 2.99Å; V81-L85 HydrophobicContact CG1-CD1 3.7Å; V81-L85 HydrophobicContact CG1-CG 4.3Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.47Å; V81-L85 PolarHBondContact O-N 2.87Å
82T97.4Very high97Very high0 Ų045.9 Ų45.90%024%0.237CC..Hα-helixtrans-60.8-43.8177.5-56.10000111.6V12 I14 V38 L78 I79 A80 L85 H86 V89V12-T82 HydrophobicContact CG1-CG2 3.57Å; I14-T82 HydrophobicContact CD1-CG2 3.77Å; I14-T82 HydrophobicContact CG1-CG2 3.72Å; V38-T82 HydrophobicContact CB-CG2 4.25Å; V38-T82 WeakPolarHBondContact CB-OG1 3.43Å; V38-T82 WeakPolarHBondContact CG1-OG1 3.21Å; V38-T82 HydrophobicContact CG2-CG2 3.78Å; L78-T82 PolarHBondContact O-N 2.92Å; L78-T82 VanDerWaalsContact O-N 3.13Å; L78-T82 PolarHBondContact O-OG1 3.15Å; I79-T82 WeakPolarHBondContact O-CB 3.48Å; I79-T82 PolarHBondContact O-N 3Å; A80-T82 VanDerWaalsContact C-N 3.29Å; A80-T82 PolarHBondContact O-N 3.01Å; T82-L85 PolarHBondContact O-N 2.83Å; T82-H86 PolarHBondContact O-N 3.21Å; T82-V89 HydrophobicContact CG2-CG2 4.06Å
83V97.1Very high97.1Very high30 Ų3041.7 Ų41.718%0.18222%0.217CC..Hα-helixtrans-71.5-38.2179.8175.70000111.2I79 A80 V81 L85 G87 V89 Y134I79-V83 HydrophobicContact CG2-CG2 4.43Å; I79-V83 WeakPolarHBondContact O-CG2 3.38Å; I79-V83 PolarHBondContact O-N 2.91Å; A80-V83 PolarHBondContact O-N 3.46Å; A80-V83 VanDerWaalsContact O-N 3.16Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 2.82Å; V83-L85 VanDerWaalsContact C-N 3.3Å; V83-L85 PolarHBondContact O-N 3.19Å; V83-G87 WeakPolarHBondContact O-CA 3.47Å; V83-G87 PolarHBondContact O-N 3.23Å; V83-V89 HydrophobicContact CG2-CG2 4.11Å; V83-Y134 HydrophobicContact CB-CE1 4.25Å; V83-Y134 HydrophobicContact CG1-CD1 4.16Å; V83-Y134 HydrophobicContact CG1-CE1 3.69Å; V83-Y134 HydrophobicContact CG2-CD1 3.66Å; V83-Y134 HydrophobicContact CG2-CD2 3.95Å; V83-Y134 HydrophobicContact CG2-CE1 3.62Å; V83-Y134 HydrophobicContact CG2-CE2 3.91Å; V83-Y134 HydrophobicContact CG2-CG 3.81Å
84E97.1Very high97.1Very high134 Ų13436.7 Ų36.763%0.62619%0.19SC*.Hα-helixtrans-59.3-41.6172.9-74.4167.6-16700111.4R77 A80 V81R77-E84 IonicContact NH1-OE1 3.05Å; R77-E84 PolarHBondContact NH1-OE1 3.36Å; R77-E84 IonicContact NH1-OE2 3.62Å; R77-E84 PolarHBondContact NH1-OE2 3.5Å; A80-E84 WeakPolarHBondContact O-CB 3.34Å; A80-E84 WeakPolarHBondContact O-CG 3.35Å; A80-E84 PolarHBondContact O-N 3.3Å; V81-E84 PolarHBondContact O-N 2.99Å
85L96.3Very high97.1Very high91 Ų9134.2 Ų34.248%0.47618%0.179SC..Hα-helixtrans-76.9-33.5-177.2-70.9171.1000114K63 V81 T82 V83K63-L85 HydrophobicContact CB-CD1 4.43Å; K63-L85 HydrophobicContact CG-CD1 3.94Å; V81-L85 HydrophobicContact CG1-CD1 3.7Å; V81-L85 HydrophobicContact CG1-CG 4.3Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.47Å; V81-L85 PolarHBondContact O-N 2.87Å; T82-L85 PolarHBondContact O-N 2.83Å; V83-L85 VanDerWaalsContact C-N 3.3Å; V83-L85 PolarHBondContact O-N 3.19Å
86H96.4Very high96.7Very high51 Ų5134.6 Ų34.624%0.23618%0.182CC..Hα-helixtrans-130.4-9.3-167.7-57.2-39.7000114.8V12 T82 H88V12-H86 HydrophobicContact CB-CB 4.49Å; V12-H86 HydrophobicContact CG1-CB 4.13Å; V12-H86 HydrophobicContact CG2-CB 3.53Å; T82-H86 PolarHBondContact O-N 3.21Å; H86-H88 PolarHBondContact O-CE1 3.34Å; H86-H88 PolarHBondContact O-N 3Å; H86-H88 PolarHBondContact O-ND1 3.34Å
87G94.9Very high96.2Very high50 Ų5031 Ų3152%0.51517%0.174SC..SBendtrans74.8-7.717800000115.5V83V83-G87 WeakPolarHBondContact O-CA 3.47Å; V83-G87 PolarHBondContact O-N 3.23Å
88H95.2Very high95.7Very high40 Ų4030.2 Ų30.219%0.18517%0.172CC..  trans-160.7170.3-176.964.2-72.5000112.3V12 H86 D90 R138V12-H88 WeakPolarHBondContact CB-O 3.4Å; V12-H88 WeakPolarHBondContact CG1-O 3.26Å; H86-H88 PolarHBondContact O-CE1 3.34Å; H86-H88 PolarHBondContact O-N 3Å; H86-H88 PolarHBondContact O-ND1 3.34Å; H88-D90 IonicContact CD2-OD1 2.69Å; H88-D90 IonicContact CD2-OD2 3.35Å; H88-D90 PolarHBondContact CD2-OD2 3.49Å; H88-D90 IonicContact NE2-OD2 2.99Å; H88-D90 PolarHBondContact NE2-OD2 2.93Å; H88-R138 HydrophobicContact CB-CG 3.91Å
89V97.9Very high94.9Very high0 Ų031.3 Ų31.30%018%0.177CC..  trans-133.7125.8174-175.60000108.5I14 T82 V83 L135I14-V89 HydrophobicContact CD1-CG1 3.88Å; I14-V89 HydrophobicContact CD1-CG2 3.89Å; I14-V89 HydrophobicContact CG1-CG1 4.12Å; T82-V89 HydrophobicContact CG2-CG2 4.06Å; V83-V89 HydrophobicContact CG2-CG2 4.11Å; V89-L135 HydrophobicContact CB-CD2 4.45Å; V89-L135 HydrophobicContact CG1-CD2 3.9Å; V89-L135 HydrophobicContact CG1-CG 4.38Å
90D98.1Very high94.1Very high3 Ų332.1 Ų32.12%0.01618%0.182CC..SBendtrans-101-29.4176.7-60.9-89.4000112.4K11 V12 H88 R138 G140 N141K11-D90 WeakPolarHBondContact CA-OD2 3.44Å; K11-D90 HydrophobicContact CB-CB 4.24Å; K11-D90 HydrophobicContact CD-CB 3.91Å; K11-D90 VanDerWaalsContact CD-OD1 3.3Å; K11-D90 WeakPolarHBondContact CD-OD1 3.46Å; K11-D90 WeakPolarHBondContact CD-OD2 3.48Å; K11-D90 IonicContact NZ-OD1 3.4Å; K11-D90 PolarHBondContact NZ-OD1 2.9Å; V12-D90 PolarHBondContact N-OD2 3.42Å; V12-D90 PolarHBondContact O-N 2.98Å; H88-D90 IonicContact CD2-OD1 2.69Å; H88-D90 IonicContact CD2-OD2 3.35Å; H88-D90 PolarHBondContact CD2-OD2 3.49Å; H88-D90 IonicContact NE2-OD2 2.99Å; H88-D90 PolarHBondContact NE2-OD2 2.93Å; D90-R138 IonicContact OD1-NE 3.2Å; D90-G140 CarbonylContact O-C 3.59Å; D90-G140 WeakPolarHBondContact O-CA 3.29Å; D90-N141 PolarHBondContact O-N 3.08Å
91C98.2Very high93.3Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-143.6136.6-179.4177.50000112Y8 V12 V13 I14 N141Y8-C91 HydrophobicContact CE1-CB 4.32Å; V12-C91 PolarHBondContact O-N 2.81Å; V13-C91 CarbonylContact C-O 3.44Å; V13-C91 WeakPolarHBondContact CA-O 3.41Å; V13-C91 HydrophobicContact CB-CB 4.46Å; V13-C91 HydrophobicContact CG1-CB 4.1Å; V13-C91 HydrophobicContact CG2-CB 4.14Å; I14-C91 PolarHBondContact N-O 3.07Å; C91-N141 VanDerWaalsContact CA-O 3.28Å; C91-N141 WeakPolarHBondContact CA-O 3.11Å; C91-N141 PolarHBondContact SG-OD1 2.96Å
92L98.5Very high92.6Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-112.4121.2166172.165.7000109I14 A127 A131 L135 N141 I142 I143I14-L92 HydrophobicContact CB-CD1 3.9Å; I14-L92 HydrophobicContact CG2-CD1 3.87Å; L92-A127 HydrophobicContact CD1-CB 4.46Å; L92-A127 HydrophobicContact CD2-CB 4.12Å; L92-A131 HydrophobicContact CB-CB 4.39Å; L92-A131 HydrophobicContact CD2-CB 3.84Å; L92-L135 HydrophobicContact CB-CD1 4.22Å; L92-N141 PolarHBondContact N-O 3.02Å; L92-I142 HydrophobicContact CB-CG1 4.37Å; L92-I142 HydrophobicContact CD2-CG2 4.41Å; L92-I142 CarbonylContact O-C 3.51Å; L92-I142 VanDerWaalsContact O-CA 3.32Å; L92-I142 WeakPolarHBondContact O-CA 3.31Å; L92-I143 PolarHBondContact O-N 3.34Å
93V98.4Very high91.8Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-105.2108169.8-171.50000109.4V13 I14 V15 T16 I26 F30 N95 I143 I145V13-V93 HydrophobicContact CG1-CG2 4.03Å; I14-V93 PolarHBondContact O-N 2.82Å; V15-V93 HydrophobicContact CG1-CB 4.41Å; V15-V93 HydrophobicContact CG2-CB 4.19Å; V15-V93 HydrophobicContact CG2-CG2 4.33Å; T16-V93 PolarHBondContact N-O 3.09Å; I26-V93 HydrophobicContact CD1-CG1 3.99Å; I26-V93 HydrophobicContact CG2-CB 4.5Å; I26-V93 HydrophobicContact CG2-CG1 4.2Å; I26-V93 HydrophobicContact CG2-CG2 4.24Å; F30-V93 HydrophobicContact CE2-CG2 4.2Å; V93-N95 HydrophobicContact CG1-CB 4.38Å; V93-N95 PolarHBondContact O-N 3.34Å; V93-I143 CarbonylContact C-O 3.6Å; V93-I143 VanDerWaalsContact CA-O 3.3Å; V93-I143 WeakPolarHBondContact CA-O 3.33Å; V93-I143 HydrophobicContact CG1-CB 4.43Å; V93-I143 HydrophobicContact CG2-CB 4.34Å; V93-I145 HydrophobicContact CG1-CD1 4.39Å; V93-I145 HydrophobicContact CG1-CG1 4.28Å
94N97.4Very high91.3Very high0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-86.1108.5171.4-68.4-49000109.2T16 Y124 A127 S128 I143 N144 I145T16-N94 WeakPolarHBondContact OG1-CA 3.48Å; N94-Y124 VanDerWaalsContact C-CZ 3.45Å; N94-Y124 HydrophobicContact CB-CD1 3.71Å; N94-Y124 HydrophobicContact CB-CD2 3.27Å; N94-Y124 HydrophobicContact CB-CE1 3.82Å; N94-Y124 HydrophobicContact CB-CE2 3.44Å; N94-Y124 VanDerWaalsContact CB-CE2 3.44Å; N94-Y124 HydrophobicContact CB-CG 3.46Å; N94-Y124 VanDerWaalsContact CB-CG 3.46Å; N94-Y124 VanDerWaalsContact O-CE2 3.25Å; N94-Y124 WeakPolarHBondContact O-CE2 3.35Å; N94-Y124 VanDerWaalsContact O-CZ 3.3Å; N94-Y124 PolarHBondContact O-OH 3.39Å; N94-A127 VanDerWaalsContact OD1-CB 3.3Å; N94-A127 WeakPolarHBondContact OD1-CB 3.48Å; N94-S128 PolarHBondContact ND2-OG 3.4Å; N94-I143 PolarHBondContact N-O 2.99Å; N94-N144 WeakPolarHBondContact CB-OD1 3.48Å; N94-N144 PolarHBondContact ND2-OD1 3.02Å; N94-I145 PolarHBondContact O-N 3.42Å
95N95.3Very high90.7Very high16 Ų1640.5 Ų40.59%0.08623%0.229CC..  trans-126.1-24.9-177.3159.287.5000113.5T16 G17 I22 G23 V93 G97 Y124 I145T16-N95 CarbonylContact O-C 3.38Å; T16-N95 VanDerWaalsContact O-CB 3.24Å; T16-N95 WeakPolarHBondContact O-CB 3.12Å; T16-N95 PolarHBondContact O-ND2 3.2Å; T16-N95 PolarHBondContact OG1-N 3.47Å; G17-N95 PolarHBondContact O-ND2 2.91Å; I22-N95 WeakPolarHBondContact CG2-OD1 3.09Å; G23-N95 VanDerWaalsContact CA-ND2 3.31Å; G23-N95 WeakPolarHBondContact CA-ND2 3.3Å; G23-N95 PolarHBondContact N-OD1 3.3Å; V93-N95 HydrophobicContact CG1-CB 4.38Å; V93-N95 PolarHBondContact O-N 3.34Å; N95-G97 PolarHBondContact O-N 3.04Å; N95-Y124 VanDerWaalsContact CA-OH 3.25Å; N95-Y124 WeakPolarHBondContact CA-OH 3.36Å; N95-Y124 PolarHBondContact N-OH 3.37Å; N95-Y124 PolarHBondContact O-OH 2.87Å; N95-Y124 VanDerWaalsContact O-OH 3.12Å; N95-I145 HydrophobicContact CB-CB 4.27Å; N95-I145 HydrophobicContact CB-CG1 3.71Å
96A90Very high90.4Very high9 Ų943.2 Ų43.27%0.07424%0.244CC..  trans-50.9142-178.900000112T16 V69 Y124T16-A96 PolarHBondContact O-N 3.12Å; T16-A96 PolarHBondContact OG1-N 3.29Å; V69-A96 HydrophobicContact CB-CB 4.47Å; V69-A96 HydrophobicContact CG1-CB 4.09Å; V69-A96 HydrophobicContact CG2-CB 3.76Å; A96-Y124 WeakPolarHBondContact O-CE1 3.27Å; A96-Y124 PolarHBondContact O-OH 2.8Å
97G86.8Confident90Very high33 Ų3346.3 Ų46.334%0.3426%0.258SS..  trans155.8170174.900000112.5N95 N120N95-G97 PolarHBondContact O-N 3.04Å; G97-N120 WeakPolarHBondContact CA-OD1 3.3Å
98W85.3Confident89.6Confident119 Ų11945.2 Ų45.245%0.45124%0.242SC..  trans-142144.9-171.2175.265.2000111.7P100 L116 L119 N120 Y160W98-P100 HydrophobicContact CE3-CB 4.27Å; W98-P100 HydrophobicContact CH2-CB 3.58Å; W98-P100 HydrophobicContact CZ2-CB 4.13Å; W98-P100 HydrophobicContact CZ3-CB 3.66Å; W98-L116 HydrophobicContact CE3-CD2 4.12Å; W98-L119 HydrophobicContact CB-CD2 3.66Å; W98-N120 PolarHBondContact N-OD1 3.42Å; W98-N120 PolarHBondContact O-ND2 3.02Å; W98-Y160 WeakPolarHBondContact O-CD2 3.37Å; W98-Y160 WeakPolarHBondContact O-CE2 3.47Å
99H82Confident89.3Confident26 Ų2646.5 Ų46.512%0.1225%0.252CS..  trans-103.1114.8172.8-169.7-28.5000108.4Q154 Y160 L198H99-Q154 PolarHBondContact NE2-NE2 3.32Å; H99-Q154 PolarHBondContact NE2-OE1 2.9Å; H99-Y160 HydrophobicContact CB-CD1 4.19Å; H99-Y160 HydrophobicContact CB-CE1 3.62Å; H99-Y160 HydrophobicContact CB-CE2 4.1Å; H99-Y160 AromaticContact CD2-CD1 3.44Å; H99-Y160 VanDerWaalsContact CD2-CD1 3.44Å; H99-Y160 WeakPolarHBondContact CD2-CD1 3.07Å; H99-Y160 AromaticContact CD2-CE1 2.98Å; H99-Y160 WeakPolarHBondContact CD2-CE1 3.42Å; H99-Y160 AromaticContact CD2-CZ 3.86Å; H99-Y160 AromaticContact CE1-CD1 3.56Å; H99-Y160 AromaticContact CE1-CE1 3.95Å; H99-Y160 AromaticContact CG-CD1 3.49Å; H99-Y160 VanDerWaalsContact CG-CD1 3.49Å; H99-Y160 AromaticContact CG-CE1 3.2Å; H99-Y160 AromaticContact CG-CZ 3.78Å; H99-Y160 AromaticContact ND1-CD1 3.59Å; H99-Y160 AromaticContact ND1-CE1 3.83Å; H99-Y160 AromaticContact NE2-CD1 3.42Å; H99-Y160 WeakPolarHBondContact NE2-CD1 3.41Å; H99-Y160 AromaticContact NE2-CE1 3.45Å; H99-Y160 WeakPolarHBondContact NE2-CE1 3.32Å; H99-L198 HydrophobicContact CB-CD2 4.39Å
100P80.6Confident89Confident20 Ų2050.8 Ų50.813%0.1328%0.278CS..PPolyproline II helixtrans-71.6157.7174.632.2-34.9000110.9W98 L116W98-P100 HydrophobicContact CE3-CB 4.27Å; W98-P100 HydrophobicContact CH2-CB 3.58Å; W98-P100 HydrophobicContact CZ2-CB 4.13Å; W98-P100 HydrophobicContact CZ3-CB 3.66Å; P100-L116 HydrophobicContact CB-CD1 4.33Å; P100-L116 HydrophobicContact CG-CD1 3.84Å; P100-L116 HydrophobicContact CG-CD2 4.11Å
101P79.7Confident88.7Confident77 Ų7757 Ų5750%0.531%0.307SS..PPolyproline II helixtrans-52.7156168.5-2534.8000112.4K103P101-K103 PolarHBondContact O-N 3.15Å
102H81.3Confident88.2Confident118 Ų11860.6 Ų60.655%0.54632%0.324SS..PPolyproline II helixtrans-61.2128178.5-71.9-177.5000110.7Q154 D156H102-Q154 PolarHBondContact NE2-NE2 2.94Å; H102-D156 CarbonylContact C-O 3.3Å; H102-D156 VanDerWaalsContact CA-O 3.32Å; H102-D156 WeakPolarHBondContact CA-O 3.42Å; H102-D156 HydrophobicContact CB-CB 3.84Å
103K81.8Confident87.7Confident57 Ų5764.1 Ų64.125%0.24834%0.34CS..  trans-145.5133.3-178.5-164.1175.1-173.8-169.80110.5P101 E107 E112 D156P101-K103 PolarHBondContact O-N 3.15Å; K103-E107 HydrophobicContact CD-CB 4.41Å; K103-E107 VanDerWaalsContact CE-C 3.44Å; K103-E107 WeakPolarHBondContact CE-O 3.31Å; K103-E107 HydrophobicContact CG-CB 4.01Å; K103-E107 PolarHBondContact NZ-O 3.1Å; K103-E112 IonicContact NZ-OE1 3.24Å; K103-E112 PolarHBondContact NZ-OE1 3.15Å; K103-E112 IonicContact NZ-OE2 2.9Å; K103-E112 PolarHBondContact NZ-OE2 3.25Å; K103-D156 PolarHBondContact N-O 3.29Å; K103-D156 CarbonylContact O-C 3.59Å; K103-D156 VanDerWaalsContact O-O 3.11Å
104P85.8Confident87.3Confident42 Ų4271.5 Ų71.527%0.27337%0.367SS..  trans-55.5153.8171.5-26.336000112.5D106 E107 T108P104-D106 VanDerWaalsContact C-N 3.34Å; P104-D106 WeakPolarHBondContact CB-OD1 3.19Å; P104-D106 PolarHBondContact O-N 3.25Å; P104-E107 HydrophobicContact CB-CB 4.44Å; P104-E107 HydrophobicContact CB-CG 4.21Å; P104-E107 HydrophobicContact CG-CG 4.4Å; P104-E107 PolarHBondContact O-N 3.35Å; P104-T108 PolarHBondContact O-N 2.8Å; P104-T108 PolarHBondContact O-OG1 3.36Å
105T85.4Confident87Confident99 Ų9975.8 Ų75.861%0.60739%0.39SS*.THydrogen-bonded Turntrans-67.4-38.8-174.6-58.50000111.5E107 T108T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.33Å; T105-T108 PolarHBondContact O-N 3.11Å
106D88.8Confident86.7Confident147 Ų14775.5 Ų75.579%0.78639%0.389SS*.THydrogen-bonded Turntrans-71.4-19.4178.855.2-32.9000113.9P104P104-D106 VanDerWaalsContact C-N 3.34Å; P104-D106 WeakPolarHBondContact CB-OD1 3.19Å; P104-D106 PolarHBondContact O-N 3.25Å
107E88.2Confident86.8Confident116 Ų11677.3 Ų77.354%0.54240%0.397SS..THydrogen-bonded Turntrans-91.5-17173.2-64.4-176.4-170.500113.1K103 P104 T105 T109K103-E107 HydrophobicContact CD-CB 4.41Å; K103-E107 VanDerWaalsContact CE-C 3.44Å; K103-E107 WeakPolarHBondContact CE-O 3.31Å; K103-E107 HydrophobicContact CG-CB 4.01Å; K103-E107 PolarHBondContact NZ-O 3.1Å; P104-E107 HydrophobicContact CB-CB 4.44Å; P104-E107 HydrophobicContact CB-CG 4.21Å; P104-E107 HydrophobicContact CG-CG 4.4Å; P104-E107 PolarHBondContact O-N 3.35Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.33Å; E107-T109 PolarHBondContact O-N 3.27Å
108T86.8Confident87Confident28 Ų2879.3 Ų79.317%0.17240%0.4CS..  trans-73.4123.9-179.1-55.70000110.1P104 T105 E112 P159P104-T108 PolarHBondContact O-N 2.8Å; P104-T108 PolarHBondContact O-OG1 3.36Å; T105-T108 PolarHBondContact O-N 3.11Å; T108-E112 WeakPolarHBondContact CA-OE2 3.25Å; T108-E112 HydrophobicContact CG2-CB 4.19Å; T108-P159 HydrophobicContact CG2-CB 4.29Å; T108-P159 HydrophobicContact CG2-CG 3.42Å; T108-P159 VanDerWaalsContact CG2-CG 3.42Å
109T90Very high87.3Confident66 Ų6675.2 Ų75.241%0.40539%0.387SS..  trans-77.3153.6177.178.20000111.3E107 E111 E112 F113E107-T109 PolarHBondContact O-N 3.27Å; T109-E111 PolarHBondContact O-N 3.47Å; T109-E112 PolarHBondContact N-OE2 3.26Å; T109-E112 PolarHBondContact O-N 3.03Å; T109-E112 VanDerWaalsContact OG1-CG 3.28Å; T109-E112 WeakPolarHBondContact OG1-CG 2.9Å; T109-E112 PolarHBondContact OG1-N 2.86Å; T109-E112 VanDerWaalsContact OG1-N 3.12Å; T109-F113 PolarHBondContact O-N 2.89Å; T109-F113 VanDerWaalsContact O-N 3.11Å
110V90.1Very high87.7Confident90 Ų9074 Ų7455%0.54538%0.381SS..Hα-helixtrans-60.7-32.7175.4178.80000111.5F113 R114V110-F113 PolarHBondContact O-N 3.24Å; V110-R114 HydrophobicContact CG1-CG 4.46Å; V110-R114 VanDerWaalsContact CG1-CZ 3.46Å; V110-R114 WeakPolarHBondContact O-CG 3.3Å; V110-R114 PolarHBondContact O-N 2.96Å
111E91.8Very high88.3Confident134 Ų13474.9 Ų74.963%0.62638%0.384SS*.Hα-helixtrans-69.2-45.1178.1-173.4175.9177.500112T109 F113 R114 N115T109-E111 PolarHBondContact O-N 3.47Å; E111-F113 VanDerWaalsContact C-N 3.27Å; E111-F113 PolarHBondContact O-N 2.98Å; E111-R114 PolarHBondContact O-N 2.96Å; E111-N115 WeakPolarHBondContact O-CB 3.13Å; E111-N115 VanDerWaalsContact O-CG 3.28Å; E111-N115 PolarHBondContact O-N 2.92Å; E111-N115 PolarHBondContact O-ND2 3.32Å
112E88.2Confident89Confident76 Ų7673.8 Ų73.836%0.35538%0.376SS..Hα-helixtrans-54.6-46.9172.6-73168.2158.100110.5K103 T108 T109 N115 L116K103-E112 IonicContact NZ-OE1 3.24Å; K103-E112 PolarHBondContact NZ-OE1 3.15Å; K103-E112 IonicContact NZ-OE2 2.9Å; K103-E112 PolarHBondContact NZ-OE2 3.25Å; T108-E112 WeakPolarHBondContact CA-OE2 3.25Å; T108-E112 HydrophobicContact CG2-CB 4.19Å; T109-E112 PolarHBondContact N-OE2 3.26Å; T109-E112 PolarHBondContact O-N 3.03Å; T109-E112 VanDerWaalsContact OG1-CG 3.28Å; T109-E112 WeakPolarHBondContact OG1-CG 2.9Å; T109-E112 PolarHBondContact OG1-N 2.86Å; T109-E112 VanDerWaalsContact OG1-N 3.12Å; E112-N115 PolarHBondContact O-N 2.81Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 PolarHBondContact O-N 3.29Å
113F88.1Confident89.7Confident74 Ų7468.3 Ų68.333%0.32535%0.351SS..Hα-helixtrans-61.6-44.6177.8-176.1-107000112.9T109 V110 E111 L116 L117 P159 A162 T163T109-F113 PolarHBondContact O-N 2.89Å; T109-F113 VanDerWaalsContact O-N 3.11Å; V110-F113 PolarHBondContact O-N 3.24Å; E111-F113 VanDerWaalsContact C-N 3.27Å; E111-F113 PolarHBondContact O-N 2.98Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-L117 HydrophobicContact CD1-CD1 3.83Å; F113-L117 HydrophobicContact CD1-CG 4.43Å; F113-L117 HydrophobicContact CE1-CD1 3.47Å; F113-L117 VanDerWaalsContact CE1-CD1 3.47Å; F113-L117 HydrophobicContact CE1-CG 4.1Å; F113-L117 HydrophobicContact CZ-CD1 4.11Å; F113-L117 HydrophobicContact CZ-CG 4.3Å; F113-L117 PolarHBondContact O-N 3.32Å; F113-P159 HydrophobicContact CD2-CB 3.85Å; F113-P159 HydrophobicContact CD2-CG 4.42Å; F113-P159 HydrophobicContact CE2-CB 4.46Å; F113-A162 HydrophobicContact CE2-CB 4.28Å; F113-T163 HydrophobicContact CD2-CG2 3.94Å; F113-T163 HydrophobicContact CE2-CG2 3.46Å; F113-T163 VanDerWaalsContact CE2-CG2 3.46Å; F113-T163 HydrophobicContact CZ-CG2 3.88Å
114R91.3Very high90.3Very high154 Ų15465.6 Ų65.658%0.58134%0.339SS*.Hα-helixtrans-64.6-40.5177.3-76.8176.1-178.2146.41.4112.5V110 E111 L116 L117 N118V110-R114 HydrophobicContact CG1-CG 4.46Å; V110-R114 VanDerWaalsContact CG1-CZ 3.46Å; V110-R114 WeakPolarHBondContact O-CG 3.3Å; V110-R114 PolarHBondContact O-N 2.96Å; E111-R114 PolarHBondContact O-N 2.96Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 2.92Å; R114-L117 WeakPolarHBondContact O-CB 3.36Å; R114-L117 PolarHBondContact O-N 3.08Å; R114-N118 PolarHBondContact O-N 3.09Å
115N90.6Very high90.8Very high91 Ų9168.9 Ų68.949%0.48735%0.35SS..Hα-helixtrans-63.8-40.7177-71-23.5000111.1E111 E112 N118 L119E111-N115 WeakPolarHBondContact O-CB 3.13Å; E111-N115 VanDerWaalsContact O-CG 3.28Å; E111-N115 PolarHBondContact O-N 2.92Å; E111-N115 PolarHBondContact O-ND2 3.32Å; E112-N115 PolarHBondContact O-N 2.81Å; N115-N118 PolarHBondContact O-N 3.25Å; N115-L119 WeakPolarHBondContact O-CB 3.31Å; N115-L119 PolarHBondContact O-N 2.85Å
116L89.4Confident91.4Very high9 Ų965.1 Ų65.15%0.04733%0.325CS..Hα-helixtrans-63.5-42.9172.6-86.8148.7000112.6W98 P100 E112 F113 R114 L119 N120 P159 T163W98-L116 HydrophobicContact CE3-CD2 4.12Å; P100-L116 HydrophobicContact CB-CD1 4.33Å; P100-L116 HydrophobicContact CG-CD1 3.84Å; P100-L116 HydrophobicContact CG-CD2 4.11Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 PolarHBondContact O-N 3.29Å; F113-L116 PolarHBondContact O-N 3.08Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 2.92Å; L116-L119 PolarHBondContact O-N 3.46Å; L116-N120 WeakPolarHBondContact CD2-ND2 3.47Å; L116-N120 VanDerWaalsContact O-CB 3.23Å; L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 2.75Å; L116-P159 HydrophobicContact CD1-CB 4.22Å; L116-T163 HydrophobicContact CB-CG2 4.35Å
117L90.6Very high91.8Very high48 Ų4858.2 Ų58.225%0.25129%0.289SS..Hα-helixtrans-57.6-48173.2-82.3171000111.7F113 R114 L119 L121 V122 T163F113-L117 HydrophobicContact CD1-CD1 3.83Å; F113-L117 HydrophobicContact CD1-CG 4.43Å; F113-L117 HydrophobicContact CE1-CD1 3.47Å; F113-L117 VanDerWaalsContact CE1-CD1 3.47Å; F113-L117 HydrophobicContact CE1-CG 4.1Å; F113-L117 HydrophobicContact CZ-CD1 4.11Å; F113-L117 HydrophobicContact CZ-CG 4.3Å; F113-L117 PolarHBondContact O-N 3.32Å; R114-L117 WeakPolarHBondContact O-CB 3.36Å; R114-L117 PolarHBondContact O-N 3.08Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.82Å; L117-L121 HydrophobicContact CD2-CD2 3.9Å; L117-L121 WeakPolarHBondContact O-CA 3.44Å; L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 PolarHBondContact O-N 3.16Å; L117-V122 PolarHBondContact O-N 3.36Å; L117-T163 HydrophobicContact CB-CG2 4.28Å; L117-T163 HydrophobicContact CD2-CG2 3.42Å; L117-T163 VanDerWaalsContact CD2-CG2 3.42Å; L117-T163 HydrophobicContact CG-CG2 3.43Å; L117-T163 VanDerWaalsContact CG-CG2 3.43Å
118N92.3Very high92.2Very high75 Ų7552.7 Ų52.740%0.40126%0.263SS..Iπ-helixtrans-60.8-45.4-178.8-75.5-18.5000111.3R114 N115 S123R114-N118 PolarHBondContact O-N 3.09Å; N115-N118 PolarHBondContact O-N 3.25Å; N118-S123 PolarHBondContact O-N 2.75Å; N118-S123 VanDerWaalsContact O-N 3.13Å
119L91.8Very high92.7Very high33 Ų3356 Ų5617%0.17328%0.275CS..Iπ-helixtrans-72-43.4-179.1177.962.3000113.4V69 T70 W98 N115 L116 L117 S123V69-L119 HydrophobicContact CG2-CD1 3.78Å; T70-L119 HydrophobicContact CG2-CB 4.19Å; T70-L119 HydrophobicContact CG2-CD1 3.92Å; W98-L119 HydrophobicContact CB-CD2 3.66Å; N115-L119 WeakPolarHBondContact O-CB 3.31Å; N115-L119 PolarHBondContact O-N 2.85Å; L116-L119 PolarHBondContact O-N 3.46Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.82Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-OG 3.01Å
120N90.5Very high93.1Very high0 Ų054.6 Ų54.60%026%0.263CS..Iπ-helixtrans-96.6-22.7-167.8-72.3-22.5000114.3G97 W98 L116 K164G97-N120 WeakPolarHBondContact CA-OD1 3.3Å; W98-N120 PolarHBondContact N-OD1 3.42Å; W98-N120 PolarHBondContact O-ND2 3.02Å; L116-N120 WeakPolarHBondContact CD2-ND2 3.47Å; L116-N120 VanDerWaalsContact O-CB 3.23Å; L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 2.75Å; N120-K164 HydrophobicContact CB-CB 3.64Å; N120-K164 HydrophobicContact CB-CD 4.14Å; N120-K164 HydrophobicContact CB-CG 3.79Å
121L91.7Very high93.5Very high38 Ų3850.3 Ų50.320%0.19924%0.237CC..Iπ-helixtrans-119.8-56.2-174.9-179.659.3000112.1L117 S123 Y124 F125 A167 I168 M171L117-L121 HydrophobicContact CD2-CD2 3.9Å; L117-L121 WeakPolarHBondContact O-CA 3.44Å; L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 PolarHBondContact O-N 3.16Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.18Å; L121-Y124 PolarHBondContact O-N 3.47Å; L121-Y124 VanDerWaalsContact O-N 3.1Å; L121-F125 PolarHBondContact O-N 2.87Å; L121-F125 VanDerWaalsContact O-N 3.11Å; L121-A167 HydrophobicContact CD1-CB 3.83Å; L121-A167 HydrophobicContact CD2-CB 3.77Å; L121-A167 HydrophobicContact CG-CB 4.41Å; L121-I168 HydrophobicContact CD1-CD1 3.59Å; L121-I168 HydrophobicContact CD1-CG1 4.31Å; L121-M171 HydrophobicContact CD1-SD 4.16Å
122V94.6Very high93.8Very high54 Ų5444.7 Ų44.733%0.32721%0.212SC..Iπ-helixtrans-62.3-40.1-175.6-179.90000110.5L117 Y124 F125 L126L117-V122 PolarHBondContact O-N 3.36Å; V122-Y124 VanDerWaalsContact C-N 3.3Å; V122-Y124 PolarHBondContact O-N 2.82Å; V122-F125 PolarHBondContact O-N 3.03Å; V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.12Å; V122-L126 WeakPolarHBondContact O-CB 3.44Å; V122-L126 WeakPolarHBondContact O-CG 3.13Å; V122-L126 PolarHBondContact O-N 2.91Å
123S95.4Very high94.2Very high3 Ų344 Ų442%0.02121%0.214CC..Hα-helixtrans-55.7-40.7175.168.10000113.3V69 N118 L119 L121 L126 A127V69-S123 WeakPolarHBondContact O-CB 3.32Å; N118-S123 PolarHBondContact O-N 2.75Å; N118-S123 VanDerWaalsContact O-N 3.13Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-OG 3.01Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.18Å; S123-L126 PolarHBondContact O-N 3.16Å; S123-A127 VanDerWaalsContact O-CB 3.31Å; S123-A127 WeakPolarHBondContact O-CB 3.33Å; S123-A127 PolarHBondContact O-N 2.85Å
124Y95.6Very high94.7Very high0 Ų043.9 Ų43.90%021%0.212CC..Hα-helixtrans-72.3-40.2-179-77.229.5000110.5N94 N95 A96 L121 V122 S128 N144 I145 I168N94-Y124 VanDerWaalsContact C-CZ 3.45Å; N94-Y124 HydrophobicContact CB-CD1 3.71Å; N94-Y124 HydrophobicContact CB-CD2 3.27Å; N94-Y124 HydrophobicContact CB-CE1 3.82Å; N94-Y124 HydrophobicContact CB-CE2 3.44Å; N94-Y124 VanDerWaalsContact CB-CE2 3.44Å; N94-Y124 HydrophobicContact CB-CG 3.46Å; N94-Y124 VanDerWaalsContact CB-CG 3.46Å; N94-Y124 VanDerWaalsContact O-CE2 3.25Å; N94-Y124 WeakPolarHBondContact O-CE2 3.35Å; N94-Y124 VanDerWaalsContact O-CZ 3.3Å; N94-Y124 PolarHBondContact O-OH 3.39Å; N95-Y124 VanDerWaalsContact CA-OH 3.25Å; N95-Y124 WeakPolarHBondContact CA-OH 3.36Å; N95-Y124 PolarHBondContact N-OH 3.37Å; N95-Y124 PolarHBondContact O-OH 2.87Å; N95-Y124 VanDerWaalsContact O-OH 3.12Å; A96-Y124 WeakPolarHBondContact O-CE1 3.27Å; A96-Y124 PolarHBondContact O-OH 2.8Å; L121-Y124 PolarHBondContact O-N 3.47Å; L121-Y124 VanDerWaalsContact O-N 3.1Å; V122-Y124 VanDerWaalsContact C-N 3.3Å; V122-Y124 PolarHBondContact O-N 2.82Å; Y124-S128 VanDerWaalsContact O-CB 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.36Å; Y124-S128 PolarHBondContact O-N 3.43Å; Y124-S128 PolarHBondContact O-OG 2.96Å; Y124-N144 HydrophobicContact CD2-CB 4.13Å; Y124-N144 HydrophobicContact CE2-CB 4.23Å; Y124-I145 PolarHBondContact OH-O 2.92Å; Y124-I168 HydrophobicContact CD2-CD1 3.46Å; Y124-I168 VanDerWaalsContact CD2-CD1 3.46Å; Y124-I168 HydrophobicContact CD2-CG1 4.16Å; Y124-I168 HydrophobicContact CD2-CG2 4.34Å; Y124-I168 HydrophobicContact CE2-CD1 4.21Å; Y124-I168 HydrophobicContact CE2-CG1 4.44Å; Y124-I168 HydrophobicContact CE2-CG2 4.47Å; Y124-I168 HydrophobicContact CG-CD1 3.86Å
125F96.1Very high95Very high112 Ų11236.6 Ų36.649%0.49118%0.184SC..Hα-helixtrans-60.8-48.3173.8174-100000111.1L121 V122 S128 K129 M171L121-F125 PolarHBondContact O-N 2.87Å; L121-F125 VanDerWaalsContact O-N 3.11Å; V122-F125 PolarHBondContact O-N 3.03Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-K129 HydrophobicContact CE1-CD 4.37Å; F125-K129 VanDerWaalsContact O-CB 3.3Å; F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 3.2Å; F125-M171 HydrophobicContact CB-SD 4.17Å
126L97.1Very high95.3Very high19 Ų1936.5 Ų36.510%0.09918%0.177CC..Hα-helixtrans-63.6-47.3179.4-71.5177.4000112E72 I75 V122 S123 S128 K129 F130E72-L126 HydrophobicContact CB-CD1 4.03Å; E72-L126 HydrophobicContact CG-CD1 4.17Å; E72-L126 HydrophobicContact CG-CD2 4.09Å; I75-L126 HydrophobicContact CD1-CB 3.79Å; I75-L126 HydrophobicContact CD1-CD1 4.18Å; V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.12Å; V122-L126 WeakPolarHBondContact O-CB 3.44Å; V122-L126 WeakPolarHBondContact O-CG 3.13Å; V122-L126 PolarHBondContact O-N 2.91Å; S123-L126 PolarHBondContact O-N 3.16Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.29Å; L126-K129 HydrophobicContact CD2-CD 4.35Å; L126-K129 WeakPolarHBondContact O-CB 3.31Å; L126-K129 PolarHBondContact O-N 3.36Å; L126-F130 HydrophobicContact CB-CE2 4.4Å; L126-F130 HydrophobicContact CD2-CE2 4.43Å; L126-F130 WeakPolarHBondContact O-CD2 3.23Å; L126-F130 PolarHBondContact O-N 3.17Å
127A97.3Very high95.7Very high2 Ų242.1 Ų42.12%0.01720%0.203CC..Hα-helixtrans-58.2-42.9176.500000111.3I75 L92 N94 S123 A131I75-A127 HydrophobicContact CG2-CB 4.05Å; L92-A127 HydrophobicContact CD1-CB 4.46Å; L92-A127 HydrophobicContact CD2-CB 4.12Å; N94-A127 VanDerWaalsContact OD1-CB 3.3Å; N94-A127 WeakPolarHBondContact OD1-CB 3.48Å; S123-A127 VanDerWaalsContact O-CB 3.31Å; S123-A127 WeakPolarHBondContact O-CB 3.33Å; S123-A127 PolarHBondContact O-N 2.85Å; A127-A131 VanDerWaalsContact O-CB 3.22Å; A127-A131 WeakPolarHBondContact O-CB 3.32Å; A127-A131 PolarHBondContact O-N 3.38Å
128S97.6Very high95.9Very high1 Ų145 Ų451%0.00721%0.211CC..Hα-helixtrans-65.3-48.6176.1-57.80000112.2N94 Y124 F125 L126 F130 A131 L132 M175N94-S128 PolarHBondContact ND2-OG 3.4Å; Y124-S128 VanDerWaalsContact O-CB 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.36Å; Y124-S128 PolarHBondContact O-N 3.43Å; Y124-S128 PolarHBondContact O-OG 2.96Å; F125-S128 PolarHBondContact O-N 3.42Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.29Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.23Å; S128-A131 PolarHBondContact O-N 3.19Å; S128-L132 WeakPolarHBondContact O-CB 3.5Å; S128-L132 WeakPolarHBondContact O-CG 3.27Å; S128-L132 PolarHBondContact O-N 3.42Å; S128-M175 VanDerWaalsContact CB-CE 3.42Å
129K97.4Very high96.1Very high97 Ų9746.8 Ų46.842%0.42222%0.216SC..Hα-helixtrans-50.4-46.9177171.8-170171.2-164.80111.3E72 F125 L126 P133E72-K129 IonicContact OE1-NZ 3.51Å; E72-K129 PolarHBondContact OE1-NZ 3.07Å; E72-K129 VanDerWaalsContact OE1-NZ 3.15Å; F125-K129 HydrophobicContact CE1-CD 4.37Å; F125-K129 VanDerWaalsContact O-CB 3.3Å; F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 3.2Å; L126-K129 HydrophobicContact CD2-CD 4.35Å; L126-K129 WeakPolarHBondContact O-CB 3.31Å; L126-K129 PolarHBondContact O-N 3.36Å; K129-P133 WeakPolarHBondContact O-CD 3.37Å
130F98.1Very high96.3Very high36 Ų3645.4 Ų45.416%0.15821%0.21CC..Hα-helixtrans-79.5-30.7-178.5-64.1-53.4000113.9E72 I75 Q76 I79 L126 S128 P133E72-F130 HydrophobicContact CG-CE2 3.71Å; E72-F130 HydrophobicContact CG-CZ 3.68Å; E72-F130 WeakPolarHBondContact OE1-CZ 3.41Å; I75-F130 HydrophobicContact CG2-CD2 3.86Å; I75-F130 HydrophobicContact CG2-CE2 4.46Å; Q76-F130 HydrophobicContact CB-CD2 4.33Å; Q76-F130 HydrophobicContact CB-CE2 4.11Å; Q76-F130 HydrophobicContact CB-CZ 4.21Å; Q76-F130 HydrophobicContact CG-CD1 4.46Å; Q76-F130 HydrophobicContact CG-CE1 4.36Å; I79-F130 HydrophobicContact CB-CB 4.42Å; I79-F130 HydrophobicContact CG1-CB 3.81Å; L126-F130 HydrophobicContact CB-CE2 4.4Å; L126-F130 HydrophobicContact CD2-CE2 4.43Å; L126-F130 WeakPolarHBondContact O-CD2 3.23Å; L126-F130 PolarHBondContact O-N 3.17Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.23Å; F130-P133 WeakPolarHBondContact O-CD 3.45Å
131A97.8Very high96.6Very high0 Ų045.6 Ų45.60%021%0.211CC..Hα-helixtrans-79.1-30.2178.500000113.5I79 L92 A127 S128 P133 Y134 L135I79-A131 HydrophobicContact CD1-CB 4.15Å; L92-A131 HydrophobicContact CB-CB 4.39Å; L92-A131 HydrophobicContact CD2-CB 3.84Å; A127-A131 VanDerWaalsContact O-CB 3.22Å; A127-A131 WeakPolarHBondContact O-CB 3.32Å; A127-A131 PolarHBondContact O-N 3.38Å; S128-A131 PolarHBondContact O-N 3.19Å; A131-P133 VanDerWaalsContact C-CD 3.5Å; A131-Y134 PolarHBondContact O-N 2.69Å; A131-L135 HydrophobicContact CB-CD1 3.88Å; A131-L135 HydrophobicContact CB-CG 4.36Å; A131-L135 WeakPolarHBondContact O-CG 3.44Å; A131-L135 PolarHBondContact O-N 2.79Å
132L97.8Very high96.9Very high16 Ų1643.8 Ų43.88%0.08420%0.202CC..Hα-helixtrans-52.2-45-174.3-86.5172.1000114.6S128 Y134 L135 R136 I142 M175 E179 V184S128-L132 WeakPolarHBondContact O-CB 3.5Å; S128-L132 WeakPolarHBondContact O-CG 3.27Å; S128-L132 PolarHBondContact O-N 3.42Å; L132-Y134 PolarHBondContact O-N 3.36Å; L132-Y134 VanDerWaalsContact O-N 3.15Å; L132-L135 PolarHBondContact O-N 3.23Å; L132-R136 WeakPolarHBondContact O-CB 3.16Å; L132-R136 WeakPolarHBondContact O-CG 3.43Å; L132-R136 PolarHBondContact O-N 3.2Å; L132-I142 HydrophobicContact CD2-CD1 3.93Å; L132-I142 HydrophobicContact CG-CD1 4.31Å; L132-M175 HydrophobicContact CD1-CE 4.3Å; L132-E179 VanDerWaalsContact CD2-CD 3.43Å; L132-E179 HydrophobicContact CD2-CG 3.76Å; L132-V184 HydrophobicContact CD2-CG1 4.41Å
133P97.4Very high97.1Very high62 Ų6241.2 Ų41.240%0.40319%0.186SC..Hα-helixtrans-53.3-35.9176.4-2835.9000113.7K129 F130 A131 Q137K129-P133 WeakPolarHBondContact O-CD 3.37Å; F130-P133 WeakPolarHBondContact O-CD 3.45Å; A131-P133 VanDerWaalsContact C-CD 3.5Å; P133-Q137 WeakPolarHBondContact O-CG 3.36Å; P133-Q137 PolarHBondContact O-NE2 3.3Å
134Y97.8Very high97.2Very high72 Ų7241.1 Ų41.128%0.28219%0.185SC..Hα-helixtrans-85.1-39.7-179.8-54.4-75.3000112.1I79 V83 A131 L132 R136 Q137I79-Y134 HydrophobicContact CG2-CD2 3.83Å; I79-Y134 HydrophobicContact CG2-CE2 3.7Å; V83-Y134 HydrophobicContact CB-CE1 4.25Å; V83-Y134 HydrophobicContact CG1-CD1 4.16Å; V83-Y134 HydrophobicContact CG1-CE1 3.69Å; V83-Y134 HydrophobicContact CG2-CD1 3.66Å; V83-Y134 HydrophobicContact CG2-CD2 3.95Å; V83-Y134 HydrophobicContact CG2-CE1 3.62Å; V83-Y134 HydrophobicContact CG2-CE2 3.91Å; V83-Y134 HydrophobicContact CG2-CG 3.81Å; A131-Y134 PolarHBondContact O-N 2.69Å; L132-Y134 PolarHBondContact O-N 3.36Å; L132-Y134 VanDerWaalsContact O-N 3.15Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 2.99Å; Y134-Q137 WeakPolarHBondContact O-CB 3.39Å; Y134-Q137 PolarHBondContact O-N 2.9Å
135L97.6Very high97.1Very high0 Ų041.3 Ų41.30%019%0.186CC..Hα-helixtrans-60.5-40.1176.2-70.4167.8000111.7V89 L92 A131 L132 Q137 R138 H139 G140 I142 V184V89-L135 HydrophobicContact CB-CD2 4.45Å; V89-L135 HydrophobicContact CG1-CD2 3.9Å; V89-L135 HydrophobicContact CG1-CG 4.38Å; L92-L135 HydrophobicContact CB-CD1 4.22Å; A131-L135 HydrophobicContact CB-CD1 3.88Å; A131-L135 HydrophobicContact CB-CG 4.36Å; A131-L135 WeakPolarHBondContact O-CG 3.44Å; A131-L135 PolarHBondContact O-N 2.79Å; L132-L135 PolarHBondContact O-N 3.23Å; L135-Q137 VanDerWaalsContact C-N 3.27Å; L135-Q137 PolarHBondContact O-N 3.35Å; L135-R138 CarbonylContact O-C 3.5Å; L135-R138 PolarHBondContact O-N 2.92Å; L135-R138 VanDerWaalsContact O-N 3.08Å; L135-H139 PolarHBondContact O-N 3.26Å; L135-G140 PolarHBondContact O-N 3.17Å; L135-I142 HydrophobicContact CD1-CD1 3.83Å; L135-I142 HydrophobicContact CD1-CG1 3.5Å; L135-V184 HydrophobicContact CB-CG2 4.28Å
136R97.9Very high96.9Very high89 Ų8936.1 Ų36.134%0.33616%0.164SC..Hα-helixtrans-62-32.9177.7-69.2172.1-177.6162.7-0.5112.7L132 Y134 R138 E179 H182 V184L132-R136 WeakPolarHBondContact O-CB 3.16Å; L132-R136 WeakPolarHBondContact O-CG 3.43Å; L132-R136 PolarHBondContact O-N 3.2Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 2.99Å; R136-R138 PolarHBondContact O-N 2.95Å; R136-E179 IonicContact CZ-OE1 3.15Å; R136-E179 IonicContact CZ-OE2 3.57Å; R136-E179 IonicContact NE-OE1 3.15Å; R136-E179 IonicContact NE-OE2 3.65Å; R136-E179 PolarHBondContact NE-OE2 2.83Å; R136-E179 IonicContact NH2-OE1 3.21Å; R136-E179 PolarHBondContact NH2-OE1 2.97Å; R136-E179 IonicContact NH2-OE2 2.67Å; R136-E179 PolarHBondContact NH2-OE2 3.23Å; R136-H182 HydrophobicContact CB-CB 4.26Å; R136-H182 HydrophobicContact CG-CB 3.74Å; R136-H182 PolarHBondContact NE-CD2 3.07Å; R136-V184 HydrophobicContact CB-CG2 4.47Å; R136-V184 HydrophobicContact CG-CG2 4.06Å
137Q96.6Very high96.3Very high127 Ų12736 Ų3659%0.59317%0.165SC*.Hα-helixtrans-70.5-21.6176.9-64.3170.516.600112.9P133 Y134 L135P133-Q137 WeakPolarHBondContact O-CG 3.36Å; P133-Q137 PolarHBondContact O-NE2 3.3Å; Y134-Q137 WeakPolarHBondContact O-CB 3.39Å; Y134-Q137 PolarHBondContact O-N 2.9Å; L135-Q137 VanDerWaalsContact C-N 3.27Å; L135-Q137 PolarHBondContact O-N 3.35Å
138R95.8Very high95.6Very high109 Ų10936.2 Ų36.241%0.41117%0.165SC..Hα-helixtrans-110.7-2.4-174.6-59.7-56.7-63.9163.4-11113.9H88 D90 L135 R136 G140H88-R138 HydrophobicContact CB-CG 3.91Å; D90-R138 IonicContact OD1-NE 3.2Å; L135-R138 CarbonylContact O-C 3.5Å; L135-R138 PolarHBondContact O-N 2.92Å; L135-R138 VanDerWaalsContact O-N 3.08Å; R136-R138 PolarHBondContact O-N 2.95Å; R138-G140 PolarHBondContact O-N 3.14Å
139H96.2Very high94.8Very high113 Ų11337.2 Ų37.252%0.52317%0.171SC..THydrogen-bonded Turntrans5245.8-167-46.2137.5000110.6L135 K183L135-H139 PolarHBondContact O-N 3.26Å; H139-K183 HydrophobicContact CB-CB 3.98Å
140G96.1Very high93.8Very high4 Ų433.5 Ų33.54%0.04116%0.161CC..  trans-73.9-165.8-173.400000113.7D90 L135 R138 V184 R185D90-G140 CarbonylContact O-C 3.59Å; D90-G140 WeakPolarHBondContact O-CA 3.29Å; L135-G140 PolarHBondContact O-N 3.17Å; R138-G140 PolarHBondContact O-N 3.14Å; G140-V184 WeakPolarHBondContact O-CA 3.04Å; G140-R185 PolarHBondContact O-N 3.07Å
141N97Very high92.9Very high4 Ų435.8 Ų35.82%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-142.1159175.364.780.5000113.6D90 C91 L92 R185 A239D90-N141 PolarHBondContact O-N 3.08Å; C91-N141 VanDerWaalsContact CA-O 3.28Å; C91-N141 WeakPolarHBondContact CA-O 3.11Å; C91-N141 PolarHBondContact SG-OD1 2.96Å; L92-N141 PolarHBondContact N-O 3.02Å; N141-R185 CarbonylContact C-O 3.6Å; N141-R185 WeakPolarHBondContact CA-O 3.23Å; N141-R185 HydrophobicContact CB-CB 4.07Å; N141-R185 WeakPolarHBondContact CB-O 3.36Å; N141-R185 PolarHBondContact ND2-NH2 2.96Å; N141-A239 PolarHBondContact ND2-O 3.41Å
142I98.3Very high92.1Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-118.9131.9173.5-56.8177000107.9L92 L132 L135 M175 R185 V186 N187L92-I142 HydrophobicContact CB-CG1 4.37Å; L92-I142 HydrophobicContact CD2-CG2 4.41Å; L92-I142 CarbonylContact O-C 3.51Å; L92-I142 VanDerWaalsContact O-CA 3.32Å; L92-I142 WeakPolarHBondContact O-CA 3.31Å; L132-I142 HydrophobicContact CD2-CD1 3.93Å; L132-I142 HydrophobicContact CG-CD1 4.31Å; L135-I142 HydrophobicContact CD1-CD1 3.83Å; L135-I142 HydrophobicContact CD1-CG1 3.5Å; I142-M175 HydrophobicContact CD1-CE 3.57Å; I142-R185 PolarHBondContact N-O 3.33Å; I142-V186 HydrophobicContact CB-CB 4.46Å; I142-V186 HydrophobicContact CB-CG1 4.06Å; I142-V186 HydrophobicContact CB-CG2 4.16Å; I142-V186 HydrophobicContact CD1-CG2 4.23Å; I142-V186 HydrophobicContact CG1-CG2 4.39Å; I142-V186 HydrophobicContact CG2-CG1 4.33Å; I142-V186 WeakPolarHBondContact O-CA 3.39Å; I142-N187 PolarHBondContact O-N 3.27Å
143I98.1Very high91.1Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-121.3115176.2-57.9173.2000107.9L92 V93 N94 I145 N187 I189 A235 L238 A239L92-I143 PolarHBondContact O-N 3.34Å; V93-I143 CarbonylContact C-O 3.6Å; V93-I143 VanDerWaalsContact CA-O 3.3Å; V93-I143 WeakPolarHBondContact CA-O 3.33Å; V93-I143 HydrophobicContact CG1-CB 4.43Å; V93-I143 HydrophobicContact CG2-CB 4.34Å; N94-I143 PolarHBondContact N-O 2.99Å; I143-I145 HydrophobicContact CG2-CD1 4.19Å; I143-N187 WeakPolarHBondContact CA-O 3.33Å; I143-I189 HydrophobicContact CG2-CD1 3.92Å; I143-I189 HydrophobicContact CG2-CG1 4.15Å; I143-A235 HydrophobicContact CD1-CB 4.41Å; I143-A235 WeakPolarHBondContact CD1-O 3.38Å; I143-L238 HydrophobicContact CD1-CB 3.88Å; I143-L238 HydrophobicContact CG1-CB 4.31Å; I143-L238 HydrophobicContact CG2-CD1 4.31Å; I143-A239 HydrophobicContact CD1-CB 3.97Å
144N97.1Very high90.2Very high0 Ų040.9 Ų40.90%021%0.208CC..EExtended strand (participates in β ladder)trans-100.2128.7177.4-61.8-41.8000110.5N94 Y124 S146 I168 T172 N187 C188 I189N94-N144 WeakPolarHBondContact CB-OD1 3.48Å; N94-N144 PolarHBondContact ND2-OD1 3.02Å; Y124-N144 HydrophobicContact CD2-CB 4.13Å; Y124-N144 HydrophobicContact CE2-CB 4.23Å; N144-S146 PolarHBondContact O-N 2.7Å; N144-I168 HydrophobicContact CB-CG2 3.56Å; N144-T172 PolarHBondContact ND2-OG1 3.36Å; N144-N187 PolarHBondContact N-O 2.99Å; N144-C188 CarbonylContact O-C 3.51Å; N144-C188 VanDerWaalsContact O-CA 3.22Å; N144-C188 WeakPolarHBondContact O-CA 2.93Å; N144-C188 PolarHBondContact O-SG 2.97Å; N144-I189 PolarHBondContact O-N 3.31Å
145I94.8Very high89.3Confident4 Ų443.4 Ų43.42%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-90.8106.3174-50.3-54.3000109.3I22 I26 V93 N94 N95 Y124 I143 I189 P191I22-I145 HydrophobicContact CG2-CG2 4.36Å; I26-I145 HydrophobicContact CD1-CD1 3.96Å; I26-I145 HydrophobicContact CD1-CG1 4.1Å; V93-I145 HydrophobicContact CG1-CD1 4.39Å; V93-I145 HydrophobicContact CG1-CG1 4.28Å; N94-I145 PolarHBondContact O-N 3.42Å; N95-I145 HydrophobicContact CB-CB 4.27Å; N95-I145 HydrophobicContact CB-CG1 3.71Å; Y124-I145 PolarHBondContact OH-O 2.92Å; I143-I145 HydrophobicContact CG2-CD1 4.19Å; I145-I189 HydrophobicContact CD1-CB 3.99Å; I145-I189 HydrophobicContact CD1-CD1 4.02Å; I145-I189 HydrophobicContact CD1-CG1 4.36Å; I145-P191 HydrophobicContact CG2-CG 4.1Å
146S90.4Very high88.5Confident3 Ų346.4 Ų46.42%0.02124%0.236CC..  trans-94.9-140.4173.6-178.30000109.1N144 K165 C188 I189 S190 P191N144-S146 PolarHBondContact O-N 2.7Å; S146-K165 VanDerWaalsContact OG-CA 3.31Å; S146-K165 WeakPolarHBondContact OG-CA 3.41Å; S146-K165 PolarHBondContact OG-O 3.35Å; S146-C188 WeakPolarHBondContact CB-SG 3.33Å; S146-I189 PolarHBondContact N-O 3.44Å; S146-S190 WeakPolarHBondContact CB-OG 3.23Å; S146-P191 WeakPolarHBondContact O-CD 3.35Å
147S84.9Confident87.6Confident17 Ų1742.3 Ų42.312%0.11922%0.222CC..  trans-168.6153.5168.11590000110.8V149 G150 K165 P191S147-V149 PolarHBondContact O-N 2.94Å; S147-V149 VanDerWaalsContact O-N 3.09Å; S147-G150 PolarHBondContact O-N 2.87Å; S147-K165 VanDerWaalsContact CB-CE 3.42Å; S147-K165 PolarHBondContact OG-NZ 3.3Å; S147-P191 WeakPolarHBondContact CA-O 3.48Å; S147-P191 PolarHBondContact OG-O 3.13Å
148L83.9Confident86.8Confident6 Ų638.3 Ų38.33%0.03121%0.21CC..THydrogen-bonded Turntrans-48-40.2-175.5-171.963.8000114.6G150 T151 I152 P191 L251 A256 E257L148-G150 PolarHBondContact O-N 3.44Å; L148-G150 VanDerWaalsContact O-N 3.08Å; L148-T151 WeakPolarHBondContact O-CB 3.45Å; L148-T151 PolarHBondContact O-N 3.13Å; L148-I152 HydrophobicContact CD2-CD1 3.91Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 HydrophobicContact CG-CG1 4.22Å; L148-I152 PolarHBondContact O-N 3.32Å; L148-P191 WeakPolarHBondContact CB-O 3.5Å; L148-P191 PolarHBondContact N-O 3.02Å; L148-L251 HydrophobicContact CD1-CD1 4.22Å; L148-L251 HydrophobicContact CD1-CD2 4.05Å; L148-A256 HydrophobicContact CD2-CB 3.65Å; L148-E257 HydrophobicContact CD1-CB 3.98Å; L148-E257 HydrophobicContact CD1-CG 4.37Å; L148-E257 HydrophobicContact CD2-CB 4.47Å
149V80.7Confident85.9Confident22 Ų2233.7 Ų33.713%0.13319%0.194CC..Hα-helixtrans-69.4-7-176.4-460000113.4S147 I152 G153 Q154 V161 K165S147-V149 PolarHBondContact O-N 2.94Å; S147-V149 VanDerWaalsContact O-N 3.09Å; V149-I152 HydrophobicContact CB-CG1 4.49Å; V149-G153 WeakPolarHBondContact O-CA 2.98Å; V149-G153 PolarHBondContact O-N 3.41Å; V149-Q154 HydrophobicContact CB-CB 3.8Å; V149-Q154 HydrophobicContact CG1-CB 3.96Å; V149-Q154 HydrophobicContact CG2-CB 4.17Å; V149-V161 HydrophobicContact CB-CG2 4.48Å; V149-V161 HydrophobicContact CG2-CG2 3.97Å; V149-V161 WeakPolarHBondContact O-CG1 3.24Å; V149-K165 HydrophobicContact CB-CD 4.47Å; V149-K165 HydrophobicContact CG2-CD 3.22Å; V149-K165 VanDerWaalsContact CG2-CE 3.48Å
150G76.2Confident84.8Confident20 Ų2029.1 Ų29.121%0.20617%0.172CC..Hα-helixtrans-64.9-29.9164.200000113.3S147 L148S147-G150 PolarHBondContact O-N 2.87Å; L148-G150 PolarHBondContact O-N 3.44Å; L148-G150 VanDerWaalsContact O-N 3.08Å
151T78.5Confident83.9Confident83 Ų8330.1 Ų30.151%0.50918%0.178SC..Hα-helixtrans-93.3-37.5-178.7-55.20000111.3L148L148-T151 WeakPolarHBondContact O-CB 3.45Å; L148-T151 PolarHBondContact O-N 3.13Å
152I80.4Confident82.7Confident92 Ų9232.5 Ų32.547%0.47220%0.198SC..Hα-helixtrans-105.5-12.5-173.465.6169.4000114.9L148 V149 E257L148-I152 HydrophobicContact CD2-CD1 3.91Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 HydrophobicContact CG-CG1 4.22Å; L148-I152 PolarHBondContact O-N 3.32Å; V149-I152 HydrophobicContact CB-CG1 4.49Å; I152-E257 HydrophobicContact CG2-CB 3.93Å
153G76.5Confident81.1Confident36 Ų3632.5 Ų32.537%0.37120%0.198SC..  trans76.9165.6-171.700000113.7V149V149-G153 WeakPolarHBondContact O-CA 2.98Å; V149-G153 PolarHBondContact O-N 3.41Å
154Q80.4Confident79.4Confident58 Ų5833.1 Ų33.127%0.27120%0.201SC..  trans-149.1138.8176.1176.2179.3-3.500109.5H99 H102 V149 A157 V161H99-Q154 PolarHBondContact NE2-NE2 3.32Å; H99-Q154 PolarHBondContact NE2-OE1 2.9Å; H102-Q154 PolarHBondContact NE2-NE2 2.94Å; V149-Q154 HydrophobicContact CB-CB 3.8Å; V149-Q154 HydrophobicContact CG1-CB 3.96Å; V149-Q154 HydrophobicContact CG2-CB 4.17Å; Q154-A157 HydrophobicContact CB-CB 3.93Å; Q154-A157 HydrophobicContact CG-CB 3.71Å; Q154-V161 HydrophobicContact CB-CG2 4.14Å
155K78.9Confident78.2Confident124 Ų12433.2 Ų33.254%0.53920%0.201SC..THydrogen-bonded Turntrans-60.6136.5176.5-176179.6175173.90110.1A157K155-A157 PolarHBondContact O-N 2.58Å; K155-A157 VanDerWaalsContact O-N 3.14Å
156D80.3Confident77.2Confident63 Ų6334.4 Ų34.434%0.33721%0.214SC..THydrogen-bonded Turntrans54.232.5174.8-53.2-29.5000114.1H102 K103H102-D156 CarbonylContact C-O 3.3Å; H102-D156 VanDerWaalsContact CA-O 3.32Å; H102-D156 WeakPolarHBondContact CA-O 3.42Å; H102-D156 HydrophobicContact CB-CB 3.84Å; K103-D156 PolarHBondContact N-O 3.29Å; K103-D156 CarbonylContact O-C 3.59Å; K103-D156 VanDerWaalsContact O-O 3.11Å
157A79.3Confident77Confident4 Ų435.7 Ų35.73%0.03323%0.225CC..  trans-136.522.5-17700000113.2Q154 K155 Y160 V161Q154-A157 HydrophobicContact CB-CB 3.93Å; Q154-A157 HydrophobicContact CG-CB 3.71Å; K155-A157 PolarHBondContact O-N 2.58Å; K155-A157 VanDerWaalsContact O-N 3.14Å; A157-Y160 PolarHBondContact O-N 2.91Å; A157-V161 HydrophobicContact CB-CG2 4.33Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 3.14Å
158A79.9Confident77.2Confident42 Ų4234.9 Ų34.935%0.34722%0.219SC..Hα-helixtrans-52.7-45.4-175.500000114Y160 V161 A162A158-Y160 VanDerWaalsContact C-N 3.31Å; A158-Y160 PolarHBondContact O-N 3.4Å; A158-V161 PolarHBondContact O-N 3.45Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 2.96Å
159P75.4Confident77.6Confident12 Ų1235.4 Ų35.48%0.07822%0.222CC..Hα-helixtrans-54.9-44.7173.5-30.339.3000113T108 F113 L116 T163T108-P159 HydrophobicContact CG2-CB 4.29Å; T108-P159 HydrophobicContact CG2-CG 3.42Å; T108-P159 VanDerWaalsContact CG2-CG 3.42Å; F113-P159 HydrophobicContact CD2-CB 3.85Å; F113-P159 HydrophobicContact CD2-CG 4.42Å; F113-P159 HydrophobicContact CE2-CB 4.46Å; L116-P159 HydrophobicContact CD1-CB 4.22Å; P159-T163 VanDerWaalsContact O-CB 3.31Å; P159-T163 WeakPolarHBondContact O-CB 3.09Å; P159-T163 WeakPolarHBondContact O-CG2 3.33Å; P159-T163 PolarHBondContact O-N 3.37Å; P159-T163 PolarHBondContact O-OG1 3.18Å
160Y74.4Confident78.1Confident17 Ų1737.9 Ų37.97%0.06724%0.24CC..Hα-helixtrans-73.7-41.4-176.3-178.7-127.9000112.5W98 H99 A157 A158 K164 K165W98-Y160 WeakPolarHBondContact O-CD2 3.37Å; W98-Y160 WeakPolarHBondContact O-CE2 3.47Å; H99-Y160 HydrophobicContact CB-CD1 4.19Å; H99-Y160 HydrophobicContact CB-CE1 3.62Å; H99-Y160 HydrophobicContact CB-CE2 4.1Å; H99-Y160 AromaticContact CD2-CD1 3.44Å; H99-Y160 VanDerWaalsContact CD2-CD1 3.44Å; H99-Y160 WeakPolarHBondContact CD2-CD1 3.07Å; H99-Y160 AromaticContact CD2-CE1 2.98Å; H99-Y160 WeakPolarHBondContact CD2-CE1 3.42Å; H99-Y160 AromaticContact CD2-CZ 3.86Å; H99-Y160 AromaticContact CE1-CD1 3.56Å; H99-Y160 AromaticContact CE1-CE1 3.95Å; H99-Y160 AromaticContact CG-CD1 3.49Å; H99-Y160 VanDerWaalsContact CG-CD1 3.49Å; H99-Y160 AromaticContact CG-CE1 3.2Å; H99-Y160 AromaticContact CG-CZ 3.78Å; H99-Y160 AromaticContact ND1-CD1 3.59Å; H99-Y160 AromaticContact ND1-CE1 3.83Å; H99-Y160 AromaticContact NE2-CD1 3.42Å; H99-Y160 WeakPolarHBondContact NE2-CD1 3.41Å; H99-Y160 AromaticContact NE2-CE1 3.45Å; H99-Y160 WeakPolarHBondContact NE2-CE1 3.32Å; A157-Y160 PolarHBondContact O-N 2.91Å; A158-Y160 VanDerWaalsContact C-N 3.31Å; A158-Y160 PolarHBondContact O-N 3.4Å; Y160-K164 HydrophobicContact CD2-CB 4.19Å; Y160-K164 HydrophobicContact CE2-CB 3.93Å; Y160-K164 HydrophobicContact CE2-CD 3.63Å; Y160-K164 HydrophobicContact CE2-CG 4.37Å; Y160-K164 PolarHBondContact O-N 2.86Å; Y160-K164 VanDerWaalsContact O-N 3.13Å; Y160-K165 VanDerWaalsContact CD1-CE 3.46Å; Y160-K165 HydrophobicContact CE1-CD 4.41Å
161V76.4Confident78.9Confident26 Ų2638.3 Ų38.316%0.15824%0.237CC..Iπ-helixtrans-59.6-47.2175.2173.50000110.5V149 Q154 A157 A158 K165 G166V149-V161 HydrophobicContact CB-CG2 4.48Å; V149-V161 HydrophobicContact CG2-CG2 3.97Å; V149-V161 WeakPolarHBondContact O-CG1 3.24Å; Q154-V161 HydrophobicContact CB-CG2 4.14Å; A157-V161 HydrophobicContact CB-CG2 4.33Å; A157-V161 WeakPolarHBondContact O-CG2 3.44Å; A157-V161 PolarHBondContact O-N 3.14Å; A158-V161 PolarHBondContact O-N 3.45Å; V161-K165 WeakPolarHBondContact O-CB 3.25Å; V161-K165 PolarHBondContact O-N 3.29Å; V161-G166 PolarHBondContact O-N 3.26Å; V161-G166 VanDerWaalsContact O-N 3.15Å
162A72.1Confident79.7Confident53 Ų5334.4 Ų34.444%0.43821%0.213SC..Iπ-helixtrans-68-48.3-178.400000112.3F113 A158F113-A162 HydrophobicContact CE2-CB 4.28Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 2.96Å
163T64.5Low80.4Confident0 Ų035.6 Ų35.60%022%0.215CC..Iπ-helixtrans-76.7-46.5-170.557.50000113.6F113 L116 L117 P159F113-T163 HydrophobicContact CD2-CG2 3.94Å; F113-T163 HydrophobicContact CE2-CG2 3.46Å; F113-T163 VanDerWaalsContact CE2-CG2 3.46Å; F113-T163 HydrophobicContact CZ-CG2 3.88Å; L116-T163 HydrophobicContact CB-CG2 4.35Å; L117-T163 HydrophobicContact CB-CG2 4.28Å; L117-T163 HydrophobicContact CD2-CG2 3.42Å; L117-T163 VanDerWaalsContact CD2-CG2 3.42Å; L117-T163 HydrophobicContact CG-CG2 3.43Å; L117-T163 VanDerWaalsContact CG-CG2 3.43Å; P159-T163 VanDerWaalsContact O-CB 3.31Å; P159-T163 WeakPolarHBondContact O-CB 3.09Å; P159-T163 WeakPolarHBondContact O-CG2 3.33Å; P159-T163 PolarHBondContact O-N 3.37Å; P159-T163 PolarHBondContact O-OG1 3.18Å
164K63.3Low81.4Confident14 Ų1436.4 Ų36.46%0.06122%0.218CC..Iπ-helixtrans-91.3-27-174.5-164.2170.9-173.5-175.40113.1N120 Y160 I168N120-K164 HydrophobicContact CB-CB 3.64Å; N120-K164 HydrophobicContact CB-CD 4.14Å; N120-K164 HydrophobicContact CB-CG 3.79Å; Y160-K164 HydrophobicContact CD2-CB 4.19Å; Y160-K164 HydrophobicContact CE2-CB 3.93Å; Y160-K164 HydrophobicContact CE2-CD 3.63Å; Y160-K164 HydrophobicContact CE2-CG 4.37Å; Y160-K164 PolarHBondContact O-N 2.86Å; Y160-K164 VanDerWaalsContact O-N 3.13Å; K164-I168 WeakPolarHBondContact O-CB 3.47Å; K164-I168 WeakPolarHBondContact O-CG1 3.21Å
165K70.6Confident82.1Confident2 Ų234.7 Ų34.71%0.00921%0.21CC..Iπ-helixtrans-116.4-54.8-154.9-47.2-176.3-178.1-164.30113.9S146 S147 V149 Y160 V161 I169S146-K165 VanDerWaalsContact OG-CA 3.31Å; S146-K165 WeakPolarHBondContact OG-CA 3.41Å; S146-K165 PolarHBondContact OG-O 3.35Å; S147-K165 VanDerWaalsContact CB-CE 3.42Å; S147-K165 PolarHBondContact OG-NZ 3.3Å; V149-K165 HydrophobicContact CB-CD 4.47Å; V149-K165 HydrophobicContact CG2-CD 3.22Å; V149-K165 VanDerWaalsContact CG2-CE 3.48Å; Y160-K165 VanDerWaalsContact CD1-CE 3.46Å; Y160-K165 HydrophobicContact CE1-CD 4.41Å; V161-K165 WeakPolarHBondContact O-CB 3.25Å; V161-K165 PolarHBondContact O-N 3.29Å; K165-I169 WeakPolarHBondContact O-CD1 3.31Å; K165-I169 VanDerWaalsContact O-CG1 3.22Å; K165-I169 WeakPolarHBondContact O-CG1 3.45Å; K165-I169 PolarHBondContact O-N 3.3Å
166G73.6Confident83Confident28 Ų2829.1 Ų29.129%0.28919%0.187SC..Iπ-helixtrans-65.6-43.2171.900000112.4V161 S170V161-G166 PolarHBondContact O-N 3.26Å; V161-G166 VanDerWaalsContact O-N 3.15Å; G166-S170 WeakPolarHBondContact O-CB 3.38Å; G166-S170 PolarHBondContact O-N 3.12Å; G166-S170 VanDerWaalsContact O-N 3.13Å; G166-S170 PolarHBondContact O-OG 3Å
167A86.8Confident83.8Confident30 Ų3031.1 Ų31.125%0.24820%0.201CC..Hα-helixtrans-67.4-42.4-179.400000112.8L121 S170 M171L121-A167 HydrophobicContact CD1-CB 3.83Å; L121-A167 HydrophobicContact CD2-CB 3.77Å; L121-A167 HydrophobicContact CG-CB 4.41Å; A167-S170 PolarHBondContact O-N 3.48Å; A167-M171 VanDerWaalsContact O-CB 3.25Å; A167-M171 WeakPolarHBondContact O-CB 3.33Å; A167-M171 PolarHBondContact O-N 2.76Å
168I90Very high84.6Confident0 Ų035.6 Ų35.60%023%0.225CC..Hα-helixtrans-68.1-40.8179.4-68-60.5000112L121 Y124 N144 K164 S170 M171 T172L121-I168 HydrophobicContact CD1-CD1 3.59Å; L121-I168 HydrophobicContact CD1-CG1 4.31Å; Y124-I168 HydrophobicContact CD2-CD1 3.46Å; Y124-I168 VanDerWaalsContact CD2-CD1 3.46Å; Y124-I168 HydrophobicContact CD2-CG1 4.16Å; Y124-I168 HydrophobicContact CD2-CG2 4.34Å; Y124-I168 HydrophobicContact CE2-CD1 4.21Å; Y124-I168 HydrophobicContact CE2-CG1 4.44Å; Y124-I168 HydrophobicContact CE2-CG2 4.47Å; Y124-I168 HydrophobicContact CG-CD1 3.86Å; N144-I168 HydrophobicContact CB-CG2 3.56Å; K164-I168 WeakPolarHBondContact O-CB 3.47Å; K164-I168 WeakPolarHBondContact O-CG1 3.21Å; I168-S170 VanDerWaalsContact C-N 3.3Å; I168-S170 PolarHBondContact O-N 3.46Å; I168-M171 HydrophobicContact CD1-CE 3.45Å; I168-M171 VanDerWaalsContact CD1-CE 3.45Å; I168-M171 PolarHBondContact O-N 2.88Å; I168-T172 VanDerWaalsContact O-CB 3.27Å; I168-T172 WeakPolarHBondContact O-CB 3.37Å; I168-T172 PolarHBondContact O-N 2.85Å; I168-T172 PolarHBondContact O-OG1 2.98Å
169I90.6Very high85.4Confident18 Ų1834.1 Ų34.19%0.09221%0.211CC..Hα-helixtrans-60.4-44.6174.8-67.6166000110K165 T172 K173 D249K165-I169 WeakPolarHBondContact O-CD1 3.31Å; K165-I169 VanDerWaalsContact O-CG1 3.22Å; K165-I169 WeakPolarHBondContact O-CG1 3.45Å; K165-I169 PolarHBondContact O-N 3.3Å; I169-T172 WeakPolarHBondContact O-CB 3.49Å; I169-T172 PolarHBondContact O-N 2.84Å; I169-K173 WeakPolarHBondContact O-CG 3.46Å; I169-K173 PolarHBondContact O-N 3.06Å; I169-K173 VanDerWaalsContact O-N 3.16Å; I169-D249 WeakPolarHBondContact CD1-OD2 3.25Å; I169-D249 HydrophobicContact CG2-CB 4.49Å
170S91.1Very high86.3Confident74 Ų7436.9 Ų36.952%0.51723%0.231SC..Hα-helixtrans-66-45.6179-56.70000112.1G166 A167 I168 T172 K173 A174G166-S170 WeakPolarHBondContact O-CB 3.38Å; G166-S170 PolarHBondContact O-N 3.12Å; G166-S170 VanDerWaalsContact O-N 3.13Å; G166-S170 PolarHBondContact O-OG 3Å; A167-S170 PolarHBondContact O-N 3.48Å; I168-S170 VanDerWaalsContact C-N 3.3Å; I168-S170 PolarHBondContact O-N 3.46Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 3.24Å; S170-K173 PolarHBondContact O-N 3.07Å; S170-A174 PolarHBondContact O-N 3.49Å
171M93.6Very high87.4Confident29 Ų2943.6 Ų43.614%0.14326%0.26CS..Hα-helixtrans-60.3-40.4175.6-176.1178.876.100111.5L121 F125 A167 I168 K173 A174 M175L121-M171 HydrophobicContact CD1-SD 4.16Å; F125-M171 HydrophobicContact CB-SD 4.17Å; A167-M171 VanDerWaalsContact O-CB 3.25Å; A167-M171 WeakPolarHBondContact O-CB 3.33Å; A167-M171 PolarHBondContact O-N 2.76Å; I168-M171 HydrophobicContact CD1-CE 3.45Å; I168-M171 VanDerWaalsContact CD1-CE 3.45Å; I168-M171 PolarHBondContact O-N 2.88Å; M171-K173 VanDerWaalsContact C-N 3.35Å; M171-K173 PolarHBondContact O-N 3.05Å; M171-A174 PolarHBondContact O-N 2.96Å; M171-M175 HydrophobicContact CE-SD 4.4Å; M171-M175 HydrophobicContact CG-CG 4.26Å; M171-M175 HydrophobicContact CG-SD 3.82Å; M171-M175 WeakPolarHBondContact O-CB 3.31Å; M171-M175 VanDerWaalsContact O-CG 3.3Å; M171-M175 WeakPolarHBondContact O-CG 3.45Å; M171-M175 PolarHBondContact O-N 3.25Å; M171-M175 HydrophobicContact SD-SD 4.38Å
172T95.7Very high88.4Confident1 Ų145.4 Ų45.41%0.00627%0.267CS..Hα-helixtrans-59.6-46.2177.2-62.30000110.8N144 I168 I169 S170 A176 V186 N187 C188N144-T172 PolarHBondContact ND2-OG1 3.36Å; I168-T172 VanDerWaalsContact O-CB 3.27Å; I168-T172 WeakPolarHBondContact O-CB 3.37Å; I168-T172 PolarHBondContact O-N 2.85Å; I168-T172 PolarHBondContact O-OG1 2.98Å; I169-T172 WeakPolarHBondContact O-CB 3.49Å; I169-T172 PolarHBondContact O-N 2.84Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 3.24Å; T172-A176 VanDerWaalsContact O-CB 3.27Å; T172-A176 WeakPolarHBondContact O-CB 3.48Å; T172-A176 PolarHBondContact O-N 3.13Å; T172-V186 HydrophobicContact CG2-CG1 3.93Å; T172-N187 VanDerWaalsContact CG2-C 3.41Å; T172-C188 HydrophobicContact CG2-CB 3.83Å
173K95.3Very high89.5Confident116 Ų11649.8 Ų49.850%0.50428%0.276SS..Hα-helixtrans-64.1-45.5177.8-70.1174.7-178.8-179.40112.1I169 S170 M171 A176 V177I169-K173 WeakPolarHBondContact O-CG 3.46Å; I169-K173 PolarHBondContact O-N 3.06Å; I169-K173 VanDerWaalsContact O-N 3.16Å; S170-K173 PolarHBondContact O-N 3.07Å; M171-K173 VanDerWaalsContact C-N 3.35Å; M171-K173 PolarHBondContact O-N 3.05Å; K173-A176 PolarHBondContact O-N 3.39Å; K173-V177 WeakPolarHBondContact O-CG2 3.2Å; K173-V177 PolarHBondContact O-N 2.88Å
174A96.3Very high91.1Very high54 Ų5449.9 Ų49.945%0.44628%0.277SS..Hα-helixtrans-61.2-50.1178.200000111.5S170 M171 A176 V177 D178S170-A174 PolarHBondContact O-N 3.49Å; M171-A174 PolarHBondContact O-N 2.96Å; A174-A176 VanDerWaalsContact C-N 3.31Å; A174-A176 PolarHBondContact O-N 3.32Å; A174-V177 WeakPolarHBondContact O-CB 3.39Å; A174-V177 PolarHBondContact O-N 3.04Å; A174-V177 VanDerWaalsContact O-N 3.13Å; A174-D178 PolarHBondContact O-N 3.47Å; A174-D178 VanDerWaalsContact O-N 3.08Å
175M96.8Very high92.7Very high22 Ų2250.9 Ų50.911%0.10828%0.28CS..Hα-helixtrans-62.4-36.4177.4-71.4177.769.900112.6S128 L132 I142 M171 V177 D178 E179 V186S128-M175 VanDerWaalsContact CB-CE 3.42Å; L132-M175 HydrophobicContact CD1-CE 4.3Å; I142-M175 HydrophobicContact CD1-CE 3.57Å; M171-M175 HydrophobicContact CE-SD 4.4Å; M171-M175 HydrophobicContact CG-CG 4.26Å; M171-M175 HydrophobicContact CG-SD 3.82Å; M171-M175 WeakPolarHBondContact O-CB 3.31Å; M171-M175 VanDerWaalsContact O-CG 3.3Å; M171-M175 WeakPolarHBondContact O-CG 3.45Å; M171-M175 PolarHBondContact O-N 3.25Å; M171-M175 HydrophobicContact SD-SD 4.38Å; M175-V177 VanDerWaalsContact C-N 3.28Å; M175-V177 PolarHBondContact O-N 2.93Å; M175-D178 PolarHBondContact O-N 3.41Å; M175-E179 WeakPolarHBondContact O-CB 3.46Å; M175-E179 VanDerWaalsContact O-CG 3.28Å; M175-E179 WeakPolarHBondContact O-CG 3.45Å; M175-E179 PolarHBondContact O-N 3.02Å; M175-V186 HydrophobicContact CB-CB 4.32Å; M175-V186 HydrophobicContact CB-CG1 3.99Å; M175-V186 HydrophobicContact CB-CG2 4.12Å
176A96.6Very high94Very high6 Ų650.8 Ų50.85%0.0528%0.279CS..Hα-helixtrans-61-37.9175.800000112.2T172 K173 A174 S180 V186 T246T172-A176 VanDerWaalsContact O-CB 3.27Å; T172-A176 WeakPolarHBondContact O-CB 3.48Å; T172-A176 PolarHBondContact O-N 3.13Å; K173-A176 PolarHBondContact O-N 3.39Å; A174-A176 VanDerWaalsContact C-N 3.31Å; A174-A176 PolarHBondContact O-N 3.32Å; A176-S180 WeakPolarHBondContact O-CB 3.34Å; A176-S180 PolarHBondContact O-N 3.41Å; A176-V186 HydrophobicContact CB-CB 4.13Å; A176-T246 WeakPolarHBondContact CB-OG1 3.44Å
177V96.6Very high95.2Very high105 Ų10549.4 Ų49.464%0.63627%0.266SS*.Hα-helixtrans-66.6-52.6174.8173.50000110.1K173 A174 M175 E179 S180K173-V177 WeakPolarHBondContact O-CG2 3.2Å; K173-V177 PolarHBondContact O-N 2.88Å; A174-V177 WeakPolarHBondContact O-CB 3.39Å; A174-V177 PolarHBondContact O-N 3.04Å; A174-V177 VanDerWaalsContact O-N 3.13Å; M175-V177 VanDerWaalsContact C-N 3.28Å; M175-V177 PolarHBondContact O-N 2.93Å; V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 3.13Å; V177-S180 WeakPolarHBondContact O-CB 3.44Å; V177-S180 PolarHBondContact O-N 3.33Å; V177-S180 PolarHBondContact O-OG 3.08Å
178D96.8Very high95.6Very high98 Ų9848 Ų4852%0.52425%0.254SS..Hα-helixtrans-63.8-38-174.5-70.8-20000113.2A174 M175 K181A174-D178 PolarHBondContact O-N 3.47Å; A174-D178 VanDerWaalsContact O-N 3.08Å; M175-D178 PolarHBondContact O-N 3.41Å; D178-K181 WeakPolarHBondContact O-CE 3.36Å
179E97.2Very high95.8Very high11 Ų1148 Ų485%0.05125%0.254CS..Hα-helixtrans-91-8-174.6-63.2-58146.400113.9L132 R136 M175 V177 K181 H182 K183 V184 V186L132-E179 VanDerWaalsContact CD2-CD 3.43Å; L132-E179 HydrophobicContact CD2-CG 3.76Å; R136-E179 IonicContact CZ-OE1 3.15Å; R136-E179 IonicContact CZ-OE2 3.57Å; R136-E179 IonicContact NE-OE1 3.15Å; R136-E179 IonicContact NE-OE2 3.65Å; R136-E179 PolarHBondContact NE-OE2 2.83Å; R136-E179 IonicContact NH2-OE1 3.21Å; R136-E179 PolarHBondContact NH2-OE1 2.97Å; R136-E179 IonicContact NH2-OE2 2.67Å; R136-E179 PolarHBondContact NH2-OE2 3.23Å; M175-E179 WeakPolarHBondContact O-CB 3.46Å; M175-E179 VanDerWaalsContact O-CG 3.28Å; M175-E179 WeakPolarHBondContact O-CG 3.45Å; M175-E179 PolarHBondContact O-N 3.02Å; V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 3.13Å; E179-K181 PolarHBondContact O-N 3.14Å; E179-H182 CarbonylContact O-C 3.54Å; E179-H182 WeakPolarHBondContact O-CA 3.37Å; E179-H182 PolarHBondContact O-N 3.2Å; E179-H182 IonicContact OE2-CD2 3.38Å; E179-H182 PolarHBondContact OE2-CD2 2.93Å; E179-K183 PolarHBondContact O-N 3.39Å; E179-V184 HydrophobicContact CB-CB 4.02Å; E179-V184 HydrophobicContact CB-CG1 4.22Å; E179-V184 PolarHBondContact O-N 3.27Å; E179-V186 HydrophobicContact CB-CG2 4.48Å
180S94.9Very high95.9Very high71 Ų7147.2 Ų47.250%0.49725%0.25SC..G310 helixtrans-56.4-38177.265.90000112.6A176 V177 H182 K183A176-S180 WeakPolarHBondContact O-CB 3.34Å; A176-S180 PolarHBondContact O-N 3.41Å; V177-S180 WeakPolarHBondContact O-CB 3.44Å; V177-S180 PolarHBondContact O-N 3.33Å; V177-S180 PolarHBondContact O-OG 3.08Å; S180-H182 PolarHBondContact O-N 2.88Å; S180-K183 PolarHBondContact O-N 2.93Å
181K96.5Very high95.9Very high158 Ų15843.9 Ų43.969%0.68723%0.227SC*.G310 helixtrans-61.6-22.8175.972.9-168.6178.9-169.50113.5D178 E179D178-K181 WeakPolarHBondContact O-CE 3.36Å; E179-K181 PolarHBondContact O-N 3.14Å
182H96.8Very high95.5Very high64 Ų6443.3 Ų43.330%0.29623%0.228SC..G310 helixtrans-98.97.1177.4-60.6-63.1000113R136 E179 S180 V184R136-H182 HydrophobicContact CB-CB 4.26Å; R136-H182 HydrophobicContact CG-CB 3.74Å; R136-H182 PolarHBondContact NE-CD2 3.07Å; E179-H182 CarbonylContact O-C 3.54Å; E179-H182 WeakPolarHBondContact O-CA 3.37Å; E179-H182 PolarHBondContact O-N 3.2Å; E179-H182 IonicContact OE2-CD2 3.38Å; E179-H182 PolarHBondContact OE2-CD2 2.93Å; S180-H182 PolarHBondContact O-N 2.88Å; H182-V184 HydrophobicContact CB-CG2 4.34Å; H182-V184 PolarHBondContact O-N 3.22Å
183K95.6Very high94.9Very high145 Ų14545.6 Ų45.663%0.6324%0.24SC*.THydrogen-bonded Turntrans56.826-174.8-53.4176.9179.41770113H139 E179 S180H139-K183 HydrophobicContact CB-CB 3.98Å; E179-K183 PolarHBondContact O-N 3.39Å; S180-K183 PolarHBondContact O-N 2.93Å
184V97.6Very high94.4Very high2 Ų240.4 Ų40.41%0.01222%0.218CC..  trans-93.9128.9173.4170.10000108.2L132 L135 R136 G140 E179 H182 V186L132-V184 HydrophobicContact CD2-CG1 4.41Å; L135-V184 HydrophobicContact CB-CG2 4.28Å; R136-V184 HydrophobicContact CB-CG2 4.47Å; R136-V184 HydrophobicContact CG-CG2 4.06Å; G140-V184 WeakPolarHBondContact O-CA 3.04Å; E179-V184 HydrophobicContact CB-CB 4.02Å; E179-V184 HydrophobicContact CB-CG1 4.22Å; E179-V184 PolarHBondContact O-N 3.27Å; H182-V184 HydrophobicContact CB-CG2 4.34Å; H182-V184 PolarHBondContact O-N 3.22Å; V184-V186 HydrophobicContact CG1-CG2 4.39Å
185R97.9Very high93.8Very high34 Ų3440.7 Ų40.713%0.12821%0.211CC..EExtended strand (participates in β ladder)trans-96139.8179.3-59-178.4-60.31031.3109.9G140 N141 I142 N187 L238 A239 A242 T243 C245G140-R185 PolarHBondContact O-N 3.07Å; N141-R185 CarbonylContact C-O 3.6Å; N141-R185 WeakPolarHBondContact CA-O 3.23Å; N141-R185 HydrophobicContact CB-CB 4.07Å; N141-R185 WeakPolarHBondContact CB-O 3.36Å; N141-R185 PolarHBondContact ND2-NH2 2.96Å; I142-R185 PolarHBondContact N-O 3.33Å; R185-N187 PolarHBondContact NH1-ND2 2.97Å; R185-L238 VanDerWaalsContact CZ-O 3.31Å; R185-L238 PolarHBondContact NH1-O 3.26Å; R185-L238 PolarHBondContact NH2-O 3.48Å; R185-A239 PolarHBondContact NH2-O 3.42Å; R185-A242 PolarHBondContact NH1-O 3.44Å; R185-T243 WeakPolarHBondContact CD-O 3.43Å; R185-C245 PolarHBondContact NH1-O 2.88Å
186V98Very high93Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-129.8117.1178.3-175.20000108.4I142 T172 M175 A176 E179 V184 T246 G247I142-V186 HydrophobicContact CB-CB 4.46Å; I142-V186 HydrophobicContact CB-CG1 4.06Å; I142-V186 HydrophobicContact CB-CG2 4.16Å; I142-V186 HydrophobicContact CD1-CG2 4.23Å; I142-V186 HydrophobicContact CG1-CG2 4.39Å; I142-V186 HydrophobicContact CG2-CG1 4.33Å; I142-V186 WeakPolarHBondContact O-CA 3.39Å; T172-V186 HydrophobicContact CG2-CG1 3.93Å; M175-V186 HydrophobicContact CB-CB 4.32Å; M175-V186 HydrophobicContact CB-CG1 3.99Å; M175-V186 HydrophobicContact CB-CG2 4.12Å; A176-V186 HydrophobicContact CB-CB 4.13Å; E179-V186 HydrophobicContact CB-CG2 4.48Å; V184-V186 HydrophobicContact CG1-CG2 4.39Å; V186-T246 PolarHBondContact N-OG1 3.47Å; V186-G247 WeakPolarHBondContact O-CA 3.44Å; V186-G247 PolarHBondContact O-N 3.4Å
187N97.8Very high92.2Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-132162.6-176.6-66.1-60.7000111.1I142 I143 N144 T172 R185 L238 C245 T246 G247 I248I142-N187 PolarHBondContact O-N 3.27Å; I143-N187 WeakPolarHBondContact CA-O 3.33Å; N144-N187 PolarHBondContact N-O 2.99Å; T172-N187 VanDerWaalsContact CG2-C 3.41Å; R185-N187 PolarHBondContact NH1-ND2 2.97Å; N187-L238 HydrophobicContact CB-CD1 4.03Å; N187-L238 HydrophobicContact CB-CD2 4.47Å; N187-C245 PolarHBondContact ND2-O 3.03Å; N187-T246 VanDerWaalsContact OD1-C 3.31Å; N187-T246 WeakPolarHBondContact OD1-CA 3.3Å; N187-T246 PolarHBondContact OD1-N 3.13Å; N187-G247 PolarHBondContact OD1-N 2.96Å; N187-G247 VanDerWaalsContact OD1-N 3.16Å; N187-I248 HydrophobicContact CB-CG1 4.28Å; N187-I248 WeakPolarHBondContact OD1-CG1 3.49Å; N187-I248 PolarHBondContact OD1-N 3.43Å
188C95.3Very high91.2Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-123.7147.6177.7-173.40000110.7N144 S146 T172 I248 L250N144-C188 CarbonylContact O-C 3.51Å; N144-C188 VanDerWaalsContact O-CA 3.22Å; N144-C188 WeakPolarHBondContact O-CA 2.93Å; N144-C188 PolarHBondContact O-SG 2.97Å; S146-C188 WeakPolarHBondContact CB-SG 3.33Å; T172-C188 HydrophobicContact CG2-CB 3.83Å; C188-I248 PolarHBondContact N-O 3.02Å; C188-L250 PolarHBondContact O-N 3.23Å
189I95.2Very high90.4Very high1 Ų137.6 Ų37.61%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-114.9130.8165.9-58.1173000107I143 N144 I145 S146 P191 A234 A235 L238 L250 L252I143-I189 HydrophobicContact CG2-CD1 3.92Å; I143-I189 HydrophobicContact CG2-CG1 4.15Å; N144-I189 PolarHBondContact O-N 3.31Å; I145-I189 HydrophobicContact CD1-CB 3.99Å; I145-I189 HydrophobicContact CD1-CD1 4.02Å; I145-I189 HydrophobicContact CD1-CG1 4.36Å; S146-I189 PolarHBondContact N-O 3.44Å; I189-P191 HydrophobicContact CG2-CG 4.24Å; I189-P191 WeakPolarHBondContact O-CD 3.45Å; I189-A234 HydrophobicContact CD1-CB 4.04Å; I189-A235 HydrophobicContact CD1-CB 3.98Å; I189-L238 HydrophobicContact CD1-CD1 3.85Å; I189-L238 HydrophobicContact CG1-CD1 3.45Å; I189-L238 VanDerWaalsContact CG1-CD1 3.45Å; I189-L250 WeakPolarHBondContact CA-O 3.39Å; I189-L250 HydrophobicContact CG1-CB 4.49Å; I189-L252 HydrophobicContact CG2-CB 4.21Å
190S93.1Very high89.5Confident0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-114.693.8174.9-72.30000110.2S146 D249 L250 L252S146-S190 WeakPolarHBondContact CB-OG 3.23Å; S190-D249 WeakPolarHBondContact CB-OD1 3.45Å; S190-D249 PolarHBondContact OG-OD1 3.4Å; S190-D249 PolarHBondContact OG-OD2 3Å; S190-L250 PolarHBondContact N-O 2.82Å; S190-L252 PolarHBondContact O-N 3.43Å
191P89.5Confident88.7Confident5 Ų543.8 Ų43.83%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-70.1145.7176.3-16.931.2000112.2I22 I145 S146 S147 L148 I189 V194 L252I22-P191 HydrophobicContact CD1-CB 4.26Å; I22-P191 HydrophobicContact CD1-CG 3.96Å; I145-P191 HydrophobicContact CG2-CG 4.1Å; S146-P191 WeakPolarHBondContact O-CD 3.35Å; S147-P191 WeakPolarHBondContact CA-O 3.48Å; S147-P191 PolarHBondContact OG-O 3.13Å; L148-P191 WeakPolarHBondContact CB-O 3.5Å; L148-P191 PolarHBondContact N-O 3.02Å; I189-P191 HydrophobicContact CG2-CG 4.24Å; I189-P191 WeakPolarHBondContact O-CD 3.45Å; P191-V194 HydrophobicContact CB-CG2 3.7Å; P191-L252 CarbonylContact C-O 3.55Å; P191-L252 WeakPolarHBondContact CA-O 3.41Å
192G85.3Confident87.6Confident16 Ų1638.8 Ų38.817%0.16519%0.192CC..  trans-78.6-138.4162.400000111.2V194 L252G192-V194 PolarHBondContact O-N 2.97Å; G192-L252 PolarHBondContact N-O 3.28Å
193N83.3Confident86.6Confident49 Ų4935.9 Ų35.926%0.26218%0.179SC..SBendtrans-75.3121.9170.9-65.8-35000109.5G216 Q220 M225 G226N193-G216 PolarHBondContact ND2-O 3.32Å; N193-Q220 PolarHBondContact O-NE2 3.11Å; N193-Q220 PolarHBondContact O-OE1 3.07Å; N193-M225 HydrophobicContact CB-CE 4.36Å; N193-M225 HydrophobicContact CB-CG 3.99Å; N193-M225 HydrophobicContact CB-SD 4.2Å; N193-G226 PolarHBondContact O-N 2.86Å
194V85.5Confident85.8Confident7 Ų732.5 Ų32.54%0.04218%0.178CC..BIsolated β-bridgetrans-122129175.1-1790000107.1I22 P191 G192 T196 G226I22-V194 HydrophobicContact CD1-CB 4.34Å; I22-V194 HydrophobicContact CD1-CG1 4.47Å; I22-V194 HydrophobicContact CD1-CG2 4.32Å; I22-V194 HydrophobicContact CG1-CB 4.47Å; I22-V194 HydrophobicContact CG1-CG1 4.09Å; P191-V194 HydrophobicContact CB-CG2 3.7Å; G192-V194 PolarHBondContact O-N 2.97Å; V194-T196 HydrophobicContact CB-CG2 4.35Å; V194-T196 HydrophobicContact CG1-CG2 3.97Å; V194-T196 PolarHBondContact O-N 2.73Å; V194-T196 VanDerWaalsContact O-N 3.11Å; V194-G226 CarbonylContact C-O 3.56Å; V194-G226 VanDerWaalsContact CA-O 3.31Å; V194-G226 WeakPolarHBondContact CA-O 3.36Å; V194-G226 WeakPolarHBondContact CG1-O 3.43Å
195M83.3Confident84.8Confident60 Ų6039 Ų3930%0.29621%0.208SC..  trans-65.8114.7176.4-170.158.475.100108.7E200 V213 M225 G226M195-E200 HydrophobicContact SD-CG 4.1Å; M195-V213 HydrophobicContact CE-CG1 3.83Å; M195-M225 HydrophobicContact CB-CB 4.35Å; M195-M225 HydrophobicContact CB-SD 4.48Å; M195-M225 HydrophobicContact CE-CE 4.45Å; M195-M225 HydrophobicContact CE-SD 3.59Å; M195-M225 VanDerWaalsContact CE-SD 3.59Å; M195-M225 HydrophobicContact SD-SD 4.33Å; M195-G226 PolarHBondContact N-O 3.25Å
196T81.1Confident83.7Confident19 Ų1940.2 Ų40.212%0.11722%0.219CC..  trans-143.8160-178.959.90000108.9I22 V194 L198 W199 E200I22-T196 HydrophobicContact CG1-CG2 4.08Å; V194-T196 HydrophobicContact CB-CG2 4.35Å; V194-T196 HydrophobicContact CG1-CG2 3.97Å; V194-T196 PolarHBondContact O-N 2.73Å; V194-T196 VanDerWaalsContact O-N 3.11Å; T196-L198 PolarHBondContact O-N 3.3Å; T196-L198 VanDerWaalsContact O-N 3.11Å; T196-W199 WeakPolarHBondContact O-CA 3.37Å; T196-W199 WeakPolarHBondContact O-CB 3.14Å; T196-W199 PolarHBondContact O-N 3.46Å; T196-W199 PolarHBondContact OG1-N 3.16Å; T196-E200 PolarHBondContact O-N 3.16Å
197P79.6Confident82.7Confident47 Ų4745.9 Ų45.931%0.30527%0.266SS..Hα-helixtrans-54-33.1174.8-28.335.9000113.4W199 E200 E201P197-W199 VanDerWaalsContact C-N 3.31Å; P197-W199 PolarHBondContact O-N 2.95Å; P197-E200 PolarHBondContact O-N 3.47Å; P197-E201 WeakPolarHBondContact O-CB 3.48Å; P197-E201 VanDerWaalsContact O-CG 3.3Å; P197-E201 WeakPolarHBondContact O-CG 3.45Å; P197-E201 PolarHBondContact O-N 3.2Å
198L76.1Confident81.9Confident60 Ų6050 Ų5031%0.31429%0.289SS..Hα-helixtrans-63.2-38174.7179.965.4000112.1H99 T196 L202H99-L198 HydrophobicContact CB-CD2 4.39Å; T196-L198 PolarHBondContact O-N 3.3Å; T196-L198 VanDerWaalsContact O-N 3.11Å; L198-L202 HydrophobicContact CG-CD1 4.28Å; L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.05Å; L198-L202 PolarHBondContact O-N 2.91Å
199W78.4Confident81Confident40 Ų4052 Ų5215%0.15231%0.305CS..Hα-helixtrans-69.8-42.2177.4-142.4109.2000110.6T196 P197 E201 L202 A203 T212 V213 M225T196-W199 WeakPolarHBondContact O-CA 3.37Å; T196-W199 WeakPolarHBondContact O-CB 3.14Å; T196-W199 PolarHBondContact O-N 3.46Å; T196-W199 PolarHBondContact OG1-N 3.16Å; P197-W199 VanDerWaalsContact C-N 3.31Å; P197-W199 PolarHBondContact O-N 2.95Å; W199-E201 PolarHBondContact O-N 3.34Å; W199-L202 PolarHBondContact O-N 3.47Å; W199-A203 HydrophobicContact CE3-CB 3.93Å; W199-A203 HydrophobicContact CZ3-CB 3.74Å; W199-A203 WeakPolarHBondContact O-CB 3.25Å; W199-A203 PolarHBondContact O-N 2.9Å; W199-T212 HydrophobicContact CH2-CG2 3.56Å; W199-T212 VanDerWaalsContact CH2-O 3.26Å; W199-T212 WeakPolarHBondContact CH2-O 3.49Å; W199-T212 HydrophobicContact CZ3-CG2 3.75Å; W199-V213 HydrophobicContact CE3-CG2 4.09Å; W199-V213 HydrophobicContact CZ3-CB 4.26Å; W199-V213 HydrophobicContact CZ3-CG2 3.67Å; W199-M225 HydrophobicContact CD2-CE 3.9Å; W199-M225 HydrophobicContact CD2-SD 4.23Å; W199-M225 HydrophobicContact CE3-CE 4.05Å; W199-M225 HydrophobicContact CG-SD 4.49Å; W199-M225 HydrophobicContact CH2-CE 3.69Å; W199-M225 HydrophobicContact CZ2-CE 3.47Å; W199-M225 VanDerWaalsContact CZ2-CE 3.47Å; W199-M225 HydrophobicContact CZ3-CE 3.96Å
200E78.4Confident80.2Confident113 Ų11355.4 Ų55.453%0.52833%0.333SS..Hα-helixtrans-60.3-44.2174.8-65.4171.2175.900111.5M195 T196 P197 A203 A204M195-E200 HydrophobicContact SD-CG 4.1Å; T196-E200 PolarHBondContact O-N 3.16Å; P197-E200 PolarHBondContact O-N 3.47Å; E200-A203 PolarHBondContact O-N 3.38Å; E200-A204 WeakPolarHBondContact O-CB 3.46Å; E200-A204 PolarHBondContact O-N 2.91Å
201E78.9Confident79.4Confident99 Ų9957.7 Ų57.746%0.46335%0.352SS..Hα-helixtrans-61.1-43.2174.9-75.4171.3-164.200111.9P197 W199 A204 Q205P197-E201 WeakPolarHBondContact O-CB 3.48Å; P197-E201 VanDerWaalsContact O-CG 3.3Å; P197-E201 WeakPolarHBondContact O-CG 3.45Å; P197-E201 PolarHBondContact O-N 3.2Å; W199-E201 PolarHBondContact O-N 3.34Å; E201-A204 PolarHBondContact O-N 3.26Å; E201-Q205 WeakPolarHBondContact O-CG 3.18Å; E201-Q205 PolarHBondContact O-N 3.48Å
202L74Confident78.8Confident53 Ų5359.5 Ų59.528%0.27736%0.363SS..Hα-helixtrans-65.1-43.1175.9-76.4165.6000111.8L198 W199 A204 Q205L198-L202 HydrophobicContact CG-CD1 4.28Å; L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.05Å; L198-L202 PolarHBondContact O-N 2.91Å; W199-L202 PolarHBondContact O-N 3.47Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.36Å; L202-Q205 PolarHBondContact O-N 3.11Å
203A75.6Confident78.3Confident3 Ų360.4 Ų60.43%0.02537%0.365CS..Hα-helixtrans-62.4-42.2177.600000111.5W199 E200 Q205 T206 A209 T212 V213W199-A203 HydrophobicContact CE3-CB 3.93Å; W199-A203 HydrophobicContact CZ3-CB 3.74Å; W199-A203 WeakPolarHBondContact O-CB 3.25Å; W199-A203 PolarHBondContact O-N 2.9Å; E200-A203 PolarHBondContact O-N 3.38Å; A203-Q205 PolarHBondContact O-N 3.03Å; A203-T206 PolarHBondContact O-N 3.42Å; A203-T206 PolarHBondContact O-OG1 3.38Å; A203-A209 HydrophobicContact CB-CB 4.25Å; A203-A209 WeakPolarHBondContact O-CA 3.19Å; A203-A209 WeakPolarHBondContact O-CB 3.16Å; A203-T212 HydrophobicContact CB-CG2 4.32Å; A203-V213 HydrophobicContact CB-CG2 3.98Å
204A77.9Confident78Confident74 Ų7462.4 Ų62.461%0.61237%0.373SS*.Hα-helixtrans-65.3-19.8179.200000113.8E200 E201 L202 T206E200-A204 WeakPolarHBondContact O-CB 3.46Å; E200-A204 PolarHBondContact O-N 2.91Å; E201-A204 PolarHBondContact O-N 3.26Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.36Å; A204-T206 VanDerWaalsContact C-N 3.31Å
205Q76.8Confident77.6Confident140 Ų14065 Ų6565%0.65439%0.394SS*.THydrogen-bonded Turntrans-84-5.9175.2-69.6171.320.900113.2E201 L202 A203E201-Q205 WeakPolarHBondContact O-CG 3.18Å; E201-Q205 PolarHBondContact O-N 3.48Å; L202-Q205 PolarHBondContact O-N 3.11Å; A203-Q205 PolarHBondContact O-N 3.03Å
206T74.7Confident77.2Confident58 Ų5862.3 Ų62.336%0.35638%0.383SS..SBendtrans-91.6161.5177.370.10000112A203 A204 D208 T212A203-T206 PolarHBondContact O-N 3.42Å; A203-T206 PolarHBondContact O-OG1 3.38Å; A204-T206 VanDerWaalsContact C-N 3.31Å; T206-D208 PolarHBondContact O-N 3.04Å; T206-D208 PolarHBondContact OG1-O 2.9Å; T206-T212 HydrophobicContact CG2-CG2 4.05Å; T206-T212 PolarHBondContact OG1-OG1 3.14Å
207A76.3Confident77.1Confident119 Ų11964.3 Ų64.398%0.98339%0.391SS*.SBendtrans-61.7-26.8177.500000113.3
208D81.1Confident77.2Confident88 Ų8869 Ų6947%0.47141%0.406SS..  trans-142.498.9175.8-175.4-16.6000109.9T206 A210 A211 T212T206-D208 PolarHBondContact O-N 3.04Å; T206-D208 PolarHBondContact OG1-O 2.9Å; D208-A210 VanDerWaalsContact C-N 3.3Å; D208-A210 PolarHBondContact O-N 3.1Å; D208-A210 PolarHBondContact OD1-N 3.16Å; D208-A211 HydrophobicContact CB-CB 3.87Å; D208-A211 VanDerWaalsContact CG-CB 3.42Å; D208-A211 PolarHBondContact O-N 3.28Å; D208-A211 PolarHBondContact OD1-N 3.42Å; D208-A211 WeakPolarHBondContact OD2-CB 3.26Å; D208-T212 PolarHBondContact O-N 3.03Å; D208-T212 PolarHBondContact O-OG1 2.85Å; D208-T212 VanDerWaalsContact O-OG1 3.04Å
209A78.1Confident77.3Confident41 Ų4168.7 Ų68.734%0.33941%0.413SS..Hα-helixtrans-62.2-36.4-179.700000112.6A203 T212 V213A203-A209 HydrophobicContact CB-CB 4.25Å; A203-A209 WeakPolarHBondContact O-CA 3.19Å; A203-A209 WeakPolarHBondContact O-CB 3.16Å; A209-T212 PolarHBondContact O-N 2.92Å; A209-V213 WeakPolarHBondContact O-CG2 3.34Å; A209-V213 PolarHBondContact O-N 3.23Å
210A77.4Confident77.4Confident73 Ų7367.2 Ų67.260%0.60341%0.407SS*.Hα-helixtrans-71.2-41.8-178.400000111D208 T212 V213 H214D208-A210 VanDerWaalsContact C-N 3.3Å; D208-A210 PolarHBondContact O-N 3.1Å; D208-A210 PolarHBondContact OD1-N 3.16Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.41Å; A210-V213 PolarHBondContact O-N 3.03Å; A210-H214 WeakPolarHBondContact O-CB 3.13Å; A210-H214 PolarHBondContact O-N 3.4Å
211A75.6Confident77.6Confident48 Ų4867 Ų6740%0.39741%0.409SS..Hα-helixtrans-62.9-39.217400000111.9D208 H214 A215D208-A211 HydrophobicContact CB-CB 3.87Å; D208-A211 VanDerWaalsContact CG-CB 3.42Å; D208-A211 PolarHBondContact O-N 3.28Å; D208-A211 PolarHBondContact OD1-N 3.42Å; D208-A211 WeakPolarHBondContact OD2-CB 3.26Å; A211-H214 PolarHBondContact O-N 2.97Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 3.03Å
212T77Confident77.8Confident43 Ų4368.3 Ų68.326%0.26442%0.417SS..Hα-helixtrans-63.3-48.7177-62.90000111.1W199 A203 T206 D208 A209 A210 H214 A215 G216W199-T212 HydrophobicContact CH2-CG2 3.56Å; W199-T212 VanDerWaalsContact CH2-O 3.26Å; W199-T212 WeakPolarHBondContact CH2-O 3.49Å; W199-T212 HydrophobicContact CZ3-CG2 3.75Å; A203-T212 HydrophobicContact CB-CG2 4.32Å; T206-T212 HydrophobicContact CG2-CG2 4.05Å; T206-T212 PolarHBondContact OG1-OG1 3.14Å; D208-T212 PolarHBondContact O-N 3.03Å; D208-T212 PolarHBondContact O-OG1 2.85Å; D208-T212 VanDerWaalsContact O-OG1 3.04Å; A209-T212 PolarHBondContact O-N 2.92Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.41Å; T212-H214 PolarHBondContact O-N 3.06Å; T212-A215 WeakPolarHBondContact O-CB 3.31Å; T212-A215 PolarHBondContact O-N 3.31Å; T212-G216 PolarHBondContact O-N 3.45Å
213V76.4Confident78.2Confident34 Ų3468.2 Ų68.221%0.20643%0.428CS..Hα-helixtrans-58-48175.1171.20000111.2M195 W199 A203 A209 A210 A215 G216 E217 M225M195-V213 HydrophobicContact CE-CG1 3.83Å; W199-V213 HydrophobicContact CE3-CG2 4.09Å; W199-V213 HydrophobicContact CZ3-CB 4.26Å; W199-V213 HydrophobicContact CZ3-CG2 3.67Å; A203-V213 HydrophobicContact CB-CG2 3.98Å; A209-V213 WeakPolarHBondContact O-CG2 3.34Å; A209-V213 PolarHBondContact O-N 3.23Å; A210-V213 PolarHBondContact O-N 3.03Å; V213-A215 VanDerWaalsContact C-N 3.3Å; V213-A215 PolarHBondContact O-N 3.44Å; V213-G216 WeakPolarHBondContact O-CA 3.5Å; V213-G216 PolarHBondContact O-N 3.38Å; V213-E217 PolarHBondContact O-N 3.38Å; V213-M225 HydrophobicContact CG1-CE 4.44Å; V213-M225 WeakPolarHBondContact O-CE 3.41Å
214H76.8Confident78.7Confident92 Ų9272.8 Ų72.843%0.42645%0.445SS..Hα-helixtrans-60.7-37.9178.8-170.951.8000112.8A210 A211 T212 G216 E217 K218A210-H214 WeakPolarHBondContact O-CB 3.13Å; A210-H214 PolarHBondContact O-N 3.4Å; A211-H214 PolarHBondContact O-N 2.97Å; T212-H214 PolarHBondContact O-N 3.06Å; H214-G216 VanDerWaalsContact C-N 3.33Å; H214-E217 IonicContact ND1-OE2 3.28Å; H214-E217 PolarHBondContact O-N 2.98Å; H214-K218 WeakPolarHBondContact NE2-CE 3.46Å; H214-K218 PolarHBondContact NE2-NZ 3.04Å; H214-K218 WeakPolarHBondContact O-CB 3.38Å; H214-K218 WeakPolarHBondContact O-CG 3.45Å; H214-K218 PolarHBondContact O-N 2.98Å
215A76.6Confident79.1Confident60 Ų6069.8 Ų69.850%0.49642%0.418SS..Hα-helixtrans-64.5-39.6174.200000111.6A211 T212 V213 K218 A219A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 3.03Å; T212-A215 WeakPolarHBondContact O-CB 3.31Å; T212-A215 PolarHBondContact O-N 3.31Å; V213-A215 VanDerWaalsContact C-N 3.3Å; V213-A215 PolarHBondContact O-N 3.44Å; A215-K218 PolarHBondContact O-N 2.83Å; A215-A219 PolarHBondContact O-N 3.03Å; A215-A219 VanDerWaalsContact O-N 3.08Å
216G74.3Confident79.6Confident5 Ų563.6 Ų63.65%0.05239%0.392CS..Hα-helixtrans-66-36.6175.900000113.6N193 T212 V213 H214 A219N193-G216 PolarHBondContact ND2-O 3.32Å; T212-G216 PolarHBondContact O-N 3.45Å; V213-G216 WeakPolarHBondContact O-CA 3.5Å; V213-G216 PolarHBondContact O-N 3.38Å; H214-G216 VanDerWaalsContact C-N 3.33Å; G216-A219 PolarHBondContact O-N 3.24Å
217E79.9Confident80.4Confident60 Ų6063.6 Ų63.628%0.2839%0.392SS..Hα-helixtrans-66.7-43.4173.1-68.6177.2152.900111.9V213 H214 A219 Q220 M225V213-E217 PolarHBondContact O-N 3.38Å; H214-E217 IonicContact ND1-OE2 3.28Å; H214-E217 PolarHBondContact O-N 2.98Å; E217-A219 PolarHBondContact O-N 2.9Å; E217-Q220 PolarHBondContact O-N 3.34Å; E217-Q220 VanDerWaalsContact O-N 3.17Å; E217-M225 HydrophobicContact CG-CG 4.05Å
218K79.9Confident81.2Confident146 Ų14660.1 Ų60.164%0.63536%0.356SS*.Hα-helixtrans-67.5-20.9177.4-77.1-179.9172.5176.80114.1H214 A215 Q220H214-K218 WeakPolarHBondContact NE2-CE 3.46Å; H214-K218 PolarHBondContact NE2-NZ 3.04Å; H214-K218 WeakPolarHBondContact O-CB 3.38Å; H214-K218 WeakPolarHBondContact O-CG 3.45Å; H214-K218 PolarHBondContact O-N 2.98Å; A215-K218 PolarHBondContact O-N 2.83Å; K218-Q220 PolarHBondContact O-N 3.45Å
219A79Confident81.7Confident54 Ų5458.4 Ų58.445%0.44635%0.354SS..THydrogen-bonded Turntrans-69.8-11.2174.700000112.7A215 G216 E217 A256A215-A219 PolarHBondContact O-N 3.03Å; A215-A219 VanDerWaalsContact O-N 3.08Å; G216-A219 PolarHBondContact O-N 3.24Å; E217-A219 PolarHBondContact O-N 2.9Å; A219-A256 WeakPolarHBondContact O-CA 3.03Å; A219-A256 VanDerWaalsContact O-CB 3.27Å; A219-A256 WeakPolarHBondContact O-CB 3.47Å
220Q80.1Confident82.5Confident8 Ų859.2 Ų59.24%0.03735%0.35CS..SBendtrans-111.7136.9-179.3-61.9176.8-98.900110.1N193 E217 K218 M222 G223 R224 M225 S253 A256N193-Q220 PolarHBondContact O-NE2 3.11Å; N193-Q220 PolarHBondContact O-OE1 3.07Å; E217-Q220 PolarHBondContact O-N 3.34Å; E217-Q220 VanDerWaalsContact O-N 3.17Å; K218-Q220 PolarHBondContact O-N 3.45Å; Q220-M222 PolarHBondContact O-N 3.43Å; Q220-M222 VanDerWaalsContact O-N 3.16Å; Q220-G223 PolarHBondContact O-N 2.96Å; Q220-R224 VanDerWaalsContact CD-O 3.29Å; Q220-R224 PolarHBondContact OE1-O 2.94Å; Q220-R224 VanDerWaalsContact OE1-O 3.13Å; Q220-M225 VanDerWaalsContact OE1-CA 3.22Å; Q220-S253 WeakPolarHBondContact CG-O 3.33Å; Q220-S253 PolarHBondContact NE2-O 3.49Å; Q220-A256 HydrophobicContact CG-CB 4.03Å
221L83.2Confident83.3Confident110 Ų11055.8 Ų55.858%0.57632%0.322SS*.THydrogen-bonded Turntrans-62.1-25.4-179.5-67.7179.5000113.1G223 G254 G255 L258L221-G223 PolarHBondContact O-N 3.35Å; L221-G254 WeakPolarHBondContact CB-O 3.41Å; L221-G254 PolarHBondContact N-O 3.09Å; L221-G255 WeakPolarHBondContact CD1-O 3.37Å; L221-G255 WeakPolarHBondContact CG-O 3.36Å; L221-L258 HydrophobicContact CD1-CB 3.75Å; L221-L258 HydrophobicContact CD1-CD1 4.38Å
222M84.1Confident84.2Confident126 Ų12653.5 Ų53.562%0.62130%0.303SS*.THydrogen-bonded Turntrans-75.8-3.4174.7-60.3-157.281.300113.9Q220 R224 G254Q220-M222 PolarHBondContact O-N 3.43Å; Q220-M222 VanDerWaalsContact O-N 3.16Å; M222-R224 HydrophobicContact CB-CG 4.39Å; M222-R224 PolarHBondContact O-N 2.9Å; M222-G254 PolarHBondContact N-O 2.99Å
223G81.8Confident85.1Confident50 Ų5055.9 Ų55.952%0.51531%0.314SS..SBendtrans65.419.6177.300000114.5Q220 L221Q220-G223 PolarHBondContact O-N 2.96Å; L221-G223 PolarHBondContact O-N 3.35Å
224R85.7Confident86Confident99 Ų9954.9 Ų54.937%0.37431%0.309SS..SBendtrans-152.4159.5178.366.8168.6-177.988.4-3.7111Q220 M222 E230Q220-R224 VanDerWaalsContact CD-O 3.29Å; Q220-R224 PolarHBondContact OE1-O 2.94Å; Q220-R224 VanDerWaalsContact OE1-O 3.13Å; M222-R224 HydrophobicContact CB-CG 4.39Å; M222-R224 PolarHBondContact O-N 2.9Å; R224-E230 IonicContact CZ-OE1 3.91Å; R224-E230 IonicContact CZ-OE2 2.8Å; R224-E230 IonicContact NH1-OE1 2.94Å; R224-E230 PolarHBondContact NH1-OE1 3.11Å; R224-E230 IonicContact NH1-OE2 3.98Å; R224-E230 PolarHBondContact NH1-OE2 3.05Å; R224-E230 IonicContact NH2-OE1 3.4Å; R224-E230 PolarHBondContact NH2-OE1 3.4Å; R224-E230 IonicContact NH2-OE2 2.96Å
225M86Confident87Confident11 Ų1150.5 Ų50.55%0.05429%0.289CS..  trans-72.7152.6168.1-65.2-171.8-172.700113.3N193 M195 W199 V213 E217 Q220N193-M225 HydrophobicContact CB-CE 4.36Å; N193-M225 HydrophobicContact CB-CG 3.99Å; N193-M225 HydrophobicContact CB-SD 4.2Å; M195-M225 HydrophobicContact CB-CB 4.35Å; M195-M225 HydrophobicContact CB-SD 4.48Å; M195-M225 HydrophobicContact CE-CE 4.45Å; M195-M225 HydrophobicContact CE-SD 3.59Å; M195-M225 VanDerWaalsContact CE-SD 3.59Å; M195-M225 HydrophobicContact SD-SD 4.33Å; W199-M225 HydrophobicContact CD2-CE 3.9Å; W199-M225 HydrophobicContact CD2-SD 4.23Å; W199-M225 HydrophobicContact CE3-CE 4.05Å; W199-M225 HydrophobicContact CG-SD 4.49Å; W199-M225 HydrophobicContact CH2-CE 3.69Å; W199-M225 HydrophobicContact CZ2-CE 3.47Å; W199-M225 VanDerWaalsContact CZ2-CE 3.47Å; W199-M225 HydrophobicContact CZ3-CE 3.96Å; V213-M225 HydrophobicContact CG1-CE 4.44Å; V213-M225 WeakPolarHBondContact O-CE 3.41Å; E217-M225 HydrophobicContact CG-CG 4.05Å; Q220-M225 VanDerWaalsContact OE1-CA 3.22Å
226G88Confident87.9Confident10 Ų1047.6 Ų47.610%0.10327%0.265CS..BIsolated β-bridgetrans-68.5160.5166.300000110.9N193 V194 M195 E230N193-G226 PolarHBondContact O-N 2.86Å; V194-G226 CarbonylContact C-O 3.56Å; V194-G226 VanDerWaalsContact CA-O 3.31Å; V194-G226 WeakPolarHBondContact CA-O 3.36Å; V194-G226 WeakPolarHBondContact CG1-O 3.43Å; M195-G226 PolarHBondContact N-O 3.25Å; G226-E230 WeakPolarHBondContact CA-OE2 3.35Å
227T91.8Very high89Confident59 Ų5951.3 Ų51.336%0.36228%0.28SS..  trans-110.9155.717861.80000111.6A229 E230 C231T227-A229 PolarHBondContact O-N 2.62Å; T227-E230 PolarHBondContact N-OE2 3.33Å; T227-E230 PolarHBondContact O-N 2.89Å; T227-E230 VanDerWaalsContact O-N 3.14Å; T227-E230 VanDerWaalsContact OG1-CG 3.27Å; T227-E230 WeakPolarHBondContact OG1-CG 3.14Å; T227-E230 PolarHBondContact OG1-N 3.44Å; T227-E230 PolarHBondContact OG1-OE2 2.69Å; T227-C231 PolarHBondContact O-N 3.06Å
228E92.6Very high89.7Confident45 Ų4548.5 Ų48.521%0.2127%0.267CS..Hα-helixtrans-55.4-32.7171.961.1175.5-166.600112.2R24 G25 C231 G232R24-E228 IonicContact CZ-OE1 2.77Å; R24-E228 IonicContact NH1-OE1 3.63Å; R24-E228 PolarHBondContact NH1-OE1 3.36Å; R24-E228 IonicContact NH1-OE2 3.85Å; R24-E228 PolarHBondContact NH1-OE2 2.94Å; G25-E228 WeakPolarHBondContact CA-O 3.27Å; E228-C231 PolarHBondContact O-N 3.27Å; E228-G232 PolarHBondContact O-N 2.98Å
229A92.1Very high90.5Very high52 Ų5241.8 Ų41.843%0.4324%0.239SC..Hα-helixtrans-68.6-40.8178.400000111.9T227 C231 G232 L233T227-A229 PolarHBondContact O-N 2.62Å; A229-C231 VanDerWaalsContact C-N 3.34Å; A229-G232 PolarHBondContact O-N 3.25Å; A229-L233 WeakPolarHBondContact O-CG 2.97Å; A229-L233 PolarHBondContact O-N 2.85Å
230E94.2Very high91.2Very high58 Ų5840.4 Ų40.427%0.27123%0.227SC..Hα-helixtrans-63.7-40175-73.7167.9128.700111.4R224 G226 T227 G232 L233 A234 L252R224-E230 IonicContact CZ-OE1 3.91Å; R224-E230 IonicContact CZ-OE2 2.8Å; R224-E230 IonicContact NH1-OE1 2.94Å; R224-E230 PolarHBondContact NH1-OE1 3.11Å; R224-E230 IonicContact NH1-OE2 3.98Å; R224-E230 PolarHBondContact NH1-OE2 3.05Å; R224-E230 IonicContact NH2-OE1 3.4Å; R224-E230 PolarHBondContact NH2-OE1 3.4Å; R224-E230 IonicContact NH2-OE2 2.96Å; G226-E230 WeakPolarHBondContact CA-OE2 3.35Å; T227-E230 PolarHBondContact N-OE2 3.33Å; T227-E230 PolarHBondContact O-N 2.89Å; T227-E230 VanDerWaalsContact O-N 3.14Å; T227-E230 VanDerWaalsContact OG1-CG 3.27Å; T227-E230 WeakPolarHBondContact OG1-CG 3.14Å; T227-E230 PolarHBondContact OG1-N 3.44Å; T227-E230 PolarHBondContact OG1-OE2 2.69Å; E230-G232 VanDerWaalsContact C-N 3.34Å; E230-L233 PolarHBondContact O-N 3.02Å; E230-A234 WeakPolarHBondContact O-CB 3.47Å; E230-A234 PolarHBondContact O-N 2.84Å; E230-L252 HydrophobicContact CB-CD2 4.47Å
231C94Very high91.9Very high2 Ų243.4 Ų43.41%0.01424%0.243CC..Hα-helixtrans-62.1-42.7172.2-63.50000111.9I22 T227 E228 A229 A234 A235 L252I22-C231 HydrophobicContact CG1-CB 4.42Å; I22-C231 HydrophobicContact CG2-CB 3.74Å; T227-C231 PolarHBondContact O-N 3.06Å; E228-C231 PolarHBondContact O-N 3.27Å; A229-C231 VanDerWaalsContact C-N 3.34Å; C231-A234 PolarHBondContact O-N 2.77Å; C231-A235 PolarHBondContact O-N 3.28Å; C231-L252 HydrophobicContact CB-CD2 4.17Å; C231-L252 WeakPolarHBondContact SG-CD2 3.38Å
232G94.7Very high92.3Very high0 Ų038.4 Ų38.40%022%0.218CC..Hα-helixtrans-61-43.8176.500000113E228 A229 E230 A235 L236E228-G232 PolarHBondContact O-N 2.98Å; A229-G232 PolarHBondContact O-N 3.25Å; E230-G232 VanDerWaalsContact C-N 3.34Å; G232-A235 PolarHBondContact O-N 3.33Å; G232-L236 WeakPolarHBondContact O-CB 3.28Å; G232-L236 PolarHBondContact O-N 3.21Å
233L95.3Very high92.7Very high93 Ų9337.5 Ų37.549%0.48722%0.22SC..Hα-helixtrans-66.3-37.2176.5-70.3174.2000112.5A229 E230 L236 F237A229-L233 WeakPolarHBondContact O-CG 2.97Å; A229-L233 PolarHBondContact O-N 2.85Å; E230-L233 PolarHBondContact O-N 3.02Å; L233-L236 PolarHBondContact O-N 3.4Å; L233-F237 WeakPolarHBondContact O-CB 3.3Å; L233-F237 PolarHBondContact O-N 3.32Å
234A96Very high93.3Very high12 Ų1245 Ų4510%0.09924%0.238CC..Hα-helixtrans-64.4-43.5174.500000111.7I189 E230 C231 F237 L238 L250 L252I189-A234 HydrophobicContact CD1-CB 4.04Å; E230-A234 WeakPolarHBondContact O-CB 3.47Å; E230-A234 PolarHBondContact O-N 2.84Å; C231-A234 PolarHBondContact O-N 2.77Å; A234-F237 PolarHBondContact O-N 3.12Å; A234-L238 PolarHBondContact O-N 3.34Å; A234-L250 HydrophobicContact CB-CD2 4.21Å; A234-L252 HydrophobicContact CB-CD2 4.39Å
235A97.2Very high93.7Very high0 Ų042.1 Ų42.10%023%0.233CC..Hα-helixtrans-63.2-42.9175.200000111.7I26 F30 I143 I189 C231 G232 F237 L238 A239I26-A235 HydrophobicContact CD1-CB 4.34Å; I26-A235 HydrophobicContact CG1-CB 4.07Å; I26-A235 HydrophobicContact CG2-CB 4.28Å; F30-A235 HydrophobicContact CE2-CB 4.09Å; I143-A235 HydrophobicContact CD1-CB 4.41Å; I143-A235 WeakPolarHBondContact CD1-O 3.38Å; I189-A235 HydrophobicContact CD1-CB 3.98Å; C231-A235 PolarHBondContact O-N 3.28Å; G232-A235 PolarHBondContact O-N 3.33Å; A235-F237 PolarHBondContact O-N 2.7Å; A235-L238 PolarHBondContact O-N 3.04Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 2.84Å
236L96.3Very high94.2Very high0 Ų044.6 Ų44.60%025%0.249CC..Hα-helixtrans-60.3-45175.1-179.768.2000111.9R7 Y8 F30 N33 G232 L233 L238 A239 A240R7-L236 HydrophobicContact CB-CD2 4.44Å; Y8-L236 HydrophobicContact CG-CD1 4.36Å; F30-L236 HydrophobicContact CD1-CD1 3.94Å; F30-L236 HydrophobicContact CE1-CD1 3.92Å; N33-L236 HydrophobicContact CB-CD1 4.05Å; N33-L236 HydrophobicContact CB-CD2 4.07Å; N33-L236 VanDerWaalsContact CG-CD2 3.4Å; N33-L236 VanDerWaalsContact ND2-CD2 3.26Å; N33-L236 WeakPolarHBondContact ND2-CD2 3.46Å; G232-L236 WeakPolarHBondContact O-CB 3.28Å; G232-L236 PolarHBondContact O-N 3.21Å; L233-L236 PolarHBondContact O-N 3.4Å; L236-L238 PolarHBondContact O-N 2.88Å; L236-A239 PolarHBondContact O-N 3.33Å; L236-A240 VanDerWaalsContact O-CB 3.3Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.03Å
237F96.3Very high94.5Very high83 Ų8345 Ų4536%0.36425%0.252SS..Hα-helixtrans-58.7-46.8176.7166.1-104.5000111.8L233 A234 A235 A239 D241 A242L233-F237 WeakPolarHBondContact O-CB 3.3Å; L233-F237 PolarHBondContact O-N 3.32Å; A234-F237 PolarHBondContact O-N 3.12Å; A235-F237 PolarHBondContact O-N 2.7Å; F237-A239 VanDerWaalsContact C-N 3.27Å; F237-A239 PolarHBondContact O-N 3.26Å; F237-D241 HydrophobicContact CD2-CB 3.82Å; F237-D241 HydrophobicContact CE2-CB 4.01Å; F237-D241 PolarHBondContact O-N 3.49Å; F237-A242 HydrophobicContact CD1-CB 4.36Å; F237-A242 HydrophobicContact CE1-CB 3.93Å; F237-A242 HydrophobicContact CZ-CB 4.02Å; F237-A242 PolarHBondContact O-N 2.85Å
238L96.4Very high94.7Very high0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-62.8-34.9177.7-72-177.2000112.5I143 R185 N187 I189 A234 A235 L236 A242 I248 L250I143-L238 HydrophobicContact CD1-CB 3.88Å; I143-L238 HydrophobicContact CG1-CB 4.31Å; I143-L238 HydrophobicContact CG2-CD1 4.31Å; R185-L238 VanDerWaalsContact CZ-O 3.31Å; R185-L238 PolarHBondContact NH1-O 3.26Å; R185-L238 PolarHBondContact NH2-O 3.48Å; N187-L238 HydrophobicContact CB-CD1 4.03Å; N187-L238 HydrophobicContact CB-CD2 4.47Å; I189-L238 HydrophobicContact CD1-CD1 3.85Å; I189-L238 HydrophobicContact CG1-CD1 3.45Å; I189-L238 VanDerWaalsContact CG1-CD1 3.45Å; A234-L238 PolarHBondContact O-N 3.34Å; A235-L238 PolarHBondContact O-N 3.04Å; L236-L238 PolarHBondContact O-N 2.88Å; L238-A242 HydrophobicContact CD2-CB 3.97Å; L238-I248 HydrophobicContact CD2-CD1 4.01Å; L238-L250 HydrophobicContact CD1-CD2 4.29Å; L238-L250 HydrophobicContact CD2-CD2 4.35Å; L238-L250 HydrophobicContact CG-CD2 4.25Å
239A95.9Very high94.8Very high6 Ų644.9 Ų44.95%0.0525%0.251CS..Hα-helixtrans-75.2-46.9178.700000112.7Y8 F30 N141 I143 R185 A235 L236 F237Y8-A239 HydrophobicContact CD2-CB 4.5Å; Y8-A239 HydrophobicContact CE2-CB 3.93Å; F30-A239 HydrophobicContact CE1-CB 3.8Å; F30-A239 HydrophobicContact CZ-CB 3.7Å; N141-A239 PolarHBondContact ND2-O 3.41Å; I143-A239 HydrophobicContact CD1-CB 3.97Å; R185-A239 PolarHBondContact NH2-O 3.42Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 2.84Å; L236-A239 PolarHBondContact O-N 3.33Å; F237-A239 VanDerWaalsContact C-N 3.27Å; F237-A239 PolarHBondContact O-N 3.26Å
240A94.5Very high94.9Very high24 Ų2445 Ų4520%0.19824%0.244CC..Hα-helixtrans-91-46.5-168.700000113.8R7 Y8 L236R7-A240 HydrophobicContact CB-CB 4.41Å; R7-A240 WeakPolarHBondContact O-CB 3.48Å; Y8-A240 HydrophobicContact CD2-CB 3.76Å; Y8-A240 HydrophobicContact CE2-CB 4.35Å; L236-A240 VanDerWaalsContact O-CB 3.3Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.03Å
241D93.3Very high94.9Very high72 Ų7245.1 Ų45.139%0.38525%0.246SC..THydrogen-bonded Turntrans-113.5-27.6-163-52.4-70.4000113.5R7 F237 T243R7-D241 IonicContact CZ-OD2 3.94Å; R7-D241 VanDerWaalsContact CZ-OD2 3.28Å; R7-D241 IonicContact NE-OD2 3.94Å; R7-D241 PolarHBondContact NE-OD2 2.89Å; R7-D241 IonicContact NH2-OD2 3.38Å; R7-D241 PolarHBondContact NH2-OD2 2.91Å; F237-D241 HydrophobicContact CD2-CB 3.82Å; F237-D241 HydrophobicContact CE2-CB 4.01Å; F237-D241 PolarHBondContact O-N 3.49Å; D241-T243 PolarHBondContact O-N 3.11Å
242A92.9Very high94.8Very high4 Ų447.3 Ų47.33%0.03326%0.257CS..  trans-76.949.1-178.400000112.5R185 F237 L238 F244 C245R185-A242 PolarHBondContact NH1-O 3.44Å; F237-A242 HydrophobicContact CD1-CB 4.36Å; F237-A242 HydrophobicContact CE1-CB 3.93Å; F237-A242 HydrophobicContact CZ-CB 4.02Å; F237-A242 PolarHBondContact O-N 2.85Å; L238-A242 HydrophobicContact CD2-CB 3.97Å; A242-F244 PolarHBondContact O-N 3.34Å; A242-C245 HydrophobicContact CB-CB 3.85Å; A242-C245 PolarHBondContact O-N 3.28Å
243T91.4Very high94.5Very high108 Ų10847.5 Ų47.566%0.66326%0.259SS*.THydrogen-bonded Turntrans-64.7-21.6-172.756.80000113.6R185 D241R185-T243 WeakPolarHBondContact CD-O 3.43Å; D241-T243 PolarHBondContact O-N 3.11Å
244F94.3Very high94Very high206 Ų20644.3 Ų44.390%0.90425%0.248SC*.THydrogen-bonded Turntrans-1003.6174.2-160.7-120.6000113.8A242A242-F244 PolarHBondContact O-N 3.34Å
245C95.6Very high93.4Very high40 Ų4044.2 Ų44.227%0.2725%0.248SC..  trans-99.7122.4177.2-59.10000111R185 N187 A242 I248R185-C245 PolarHBondContact NH1-O 2.88Å; N187-C245 PolarHBondContact ND2-O 3.03Å; A242-C245 HydrophobicContact CB-CB 3.85Å; A242-C245 PolarHBondContact O-N 3.28Å; C245-I248 HydrophobicContact CB-CD1 4.03Å; C245-I248 HydrophobicContact CB-CG1 4.38Å
246T96.4Very high92.8Very high63 Ų6345.7 Ų45.739%0.38726%0.26SS..  trans-144.9143.1168-164.80000109.4A176 V186 N187 I248A176-T246 WeakPolarHBondContact CB-OG1 3.44Å; V186-T246 PolarHBondContact N-OG1 3.47Å; N187-T246 VanDerWaalsContact OD1-C 3.31Å; N187-T246 WeakPolarHBondContact OD1-CA 3.3Å; N187-T246 PolarHBondContact OD1-N 3.13Å; T246-I248 VanDerWaalsContact C-N 3.29Å; T246-I248 PolarHBondContact O-N 3.07Å
247G94.6Very high92.2Very high17 Ų1748.3 Ų48.318%0.17527%0.273CS..SBendtrans75.49.3-179.600000115.3V186 N187V186-G247 WeakPolarHBondContact O-CA 3.44Å; V186-G247 PolarHBondContact O-N 3.4Å; N187-G247 PolarHBondContact OD1-N 2.96Å; N187-G247 VanDerWaalsContact OD1-N 3.16Å
248I95.7Very high91.5Very high61 Ų6149.1 Ų49.131%0.31328%0.28SS..  trans-83.9154.6-178.671.5163.3000112N187 C188 L238 C245 T246N187-I248 HydrophobicContact CB-CG1 4.28Å; N187-I248 WeakPolarHBondContact OD1-CG1 3.49Å; N187-I248 PolarHBondContact OD1-N 3.43Å; C188-I248 PolarHBondContact N-O 3.02Å; L238-I248 HydrophobicContact CD2-CD1 4.01Å; C245-I248 HydrophobicContact CB-CD1 4.03Å; C245-I248 HydrophobicContact CB-CG1 4.38Å; T246-I248 VanDerWaalsContact C-N 3.29Å; T246-I248 PolarHBondContact O-N 3.07Å
249D93.9Very high90.3Very high41 Ų4155.6 Ų55.622%0.21932%0.315CS..EExtended strand (participates in β ladder)trans-109.9107.7164.1179.526000108.4I169 S190I169-D249 WeakPolarHBondContact CD1-OD2 3.25Å; I169-D249 HydrophobicContact CG2-CB 4.49Å; S190-D249 WeakPolarHBondContact CB-OD1 3.45Å; S190-D249 PolarHBondContact OG-OD1 3.4Å; S190-D249 PolarHBondContact OG-OD2 3Å
250L94.9Very high88.6Confident54 Ų5464.8 Ų64.828%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-87108.3178.8179.763.9000109.5C188 I189 S190 A234 L238 L252C188-L250 PolarHBondContact O-N 3.23Å; I189-L250 WeakPolarHBondContact CA-O 3.39Å; I189-L250 HydrophobicContact CG1-CB 4.49Å; S190-L250 PolarHBondContact N-O 2.82Å; A234-L250 HydrophobicContact CB-CD2 4.21Å; L238-L250 HydrophobicContact CD1-CD2 4.29Å; L238-L250 HydrophobicContact CD2-CD2 4.35Å; L238-L250 HydrophobicContact CG-CD2 4.25Å; L250-L252 PolarHBondContact O-N 3.25Å
251L93Very high87.1Confident62 Ų6266.2 Ų66.233%0.32537%0.366SS..EExtended strand (participates in β ladder)trans-74.6118.2175.8-54.5-172.6000110.3L148 E257L148-L251 HydrophobicContact CD1-CD1 4.22Å; L148-L251 HydrophobicContact CD1-CD2 4.05Å; L251-E257 HydrophobicContact CD1-CG 3.89Å
252L91.9Very high85.4Confident47 Ų4773.4 Ų73.425%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-111.571172.2-17370.4000109I189 S190 P191 G192 E230 C231 A234 L250I189-L252 HydrophobicContact CG2-CB 4.21Å; S190-L252 PolarHBondContact O-N 3.43Å; P191-L252 CarbonylContact C-O 3.55Å; P191-L252 WeakPolarHBondContact CA-O 3.41Å; G192-L252 PolarHBondContact N-O 3.28Å; E230-L252 HydrophobicContact CB-CD2 4.47Å; C231-L252 HydrophobicContact CB-CD2 4.17Å; C231-L252 WeakPolarHBondContact SG-CD2 3.38Å; A234-L252 HydrophobicContact CB-CD2 4.39Å; L250-L252 PolarHBondContact O-N 3.25Å
253S88.4Confident83.4Confident5 Ų581 Ų814%0.03543%0.427CS..SBendtrans-117-10.8-165.560.40000114.5Q220 G255 A256 E257Q220-S253 WeakPolarHBondContact CG-O 3.33Å; Q220-S253 PolarHBondContact NE2-O 3.49Å; S253-G255 PolarHBondContact O-N 3.04Å; S253-G255 PolarHBondContact OG-N 3.5Å; S253-G255 VanDerWaalsContact OG-N 3.08Å; S253-A256 PolarHBondContact O-N 2.69Å; S253-E257 WeakPolarHBondContact CB-OE2 3.35Å; S253-E257 PolarHBondContact OG-OE1 3.2Å; S253-E257 PolarHBondContact OG-OE2 3.25Å
254G85.8Confident81.3Confident25 Ų2580.1 Ų80.126%0.25843%0.425SS..THydrogen-bonded Turntrans58.925.1-166.800000112.6L221 M222L221-G254 WeakPolarHBondContact CB-O 3.41Å; L221-G254 PolarHBondContact N-O 3.09Å; M222-G254 PolarHBondContact N-O 2.99Å
255G83.8Confident79.5Confident10 Ų1077.2 Ų77.210%0.10341%0.414CS..THydrogen-bonded Turntrans80.818.6179.200000115.6L221 S253 E257 L258L221-G255 WeakPolarHBondContact CD1-O 3.37Å; L221-G255 WeakPolarHBondContact CG-O 3.36Å; S253-G255 PolarHBondContact O-N 3.04Å; S253-G255 PolarHBondContact OG-N 3.5Å; S253-G255 VanDerWaalsContact OG-N 3.08Å; G255-E257 PolarHBondContact O-N 2.9Å; G255-E257 VanDerWaalsContact O-N 3.16Å; G255-L258 WeakPolarHBondContact O-CB 3.36Å; G255-L258 PolarHBondContact O-N 3.07Å
256A83.2Confident77.1Confident31 Ų3181.8 Ų81.826%0.25644%0.435SS..THydrogen-bonded Turntrans-58.5-24.4179.600000115L148 A219 Q220 S253 L258L148-A256 HydrophobicContact CD2-CB 3.65Å; A219-A256 WeakPolarHBondContact O-CA 3.03Å; A219-A256 VanDerWaalsContact O-CB 3.27Å; A219-A256 WeakPolarHBondContact O-CB 3.47Å; Q220-A256 HydrophobicContact CG-CB 4.03Å; S253-A256 PolarHBondContact O-N 2.69Å; A256-L258 VanDerWaalsContact C-N 3.33Å
257E83.7Confident75.1Confident56 Ų5688 Ų8826%0.26248%0.476SS..THydrogen-bonded Turntrans-81.7-12.6174.573-69.6174.900113.9L148 I152 L251 S253 G255L148-E257 HydrophobicContact CD1-CB 3.98Å; L148-E257 HydrophobicContact CD1-CG 4.37Å; L148-E257 HydrophobicContact CD2-CB 4.47Å; I152-E257 HydrophobicContact CG2-CB 3.93Å; L251-E257 HydrophobicContact CD1-CG 3.89Å; S253-E257 WeakPolarHBondContact CB-OE2 3.35Å; S253-E257 PolarHBondContact OG-OE1 3.2Å; S253-E257 PolarHBondContact OG-OE2 3.25Å; G255-E257 PolarHBondContact O-N 2.9Å; G255-E257 VanDerWaalsContact O-N 3.16Å
258L81.5Confident74.1Confident99 Ų9991.6 Ų91.652%0.51849%0.491SS..SBendtrans-94.7143.5-174.7-53.9176.9000109.3L221 G255 A256L221-L258 HydrophobicContact CD1-CB 3.75Å; L221-L258 HydrophobicContact CD1-CD1 4.38Å; G255-L258 WeakPolarHBondContact O-CB 3.36Å; G255-L258 PolarHBondContact O-N 3.07Å; A256-L258 VanDerWaalsContact C-N 3.33Å
259N72.2Confident73Confident137 Ų13793.2 Ų93.273%0.73350%0.501SS*.SBendtrans81.8149.9-173.3-159.420.5000115.5
260Y59.1Low71.8Confident199 Ų19996.1 Ų96.178%0.7852%0.516SS*.  trans-86114.3175.8-66.5-83000109.6
261G64.1Low70.5Confident53 Ų5398.5 Ų98.555%0.54653%0.53SS..  trans-83.9170.2166.700000112.8K263G261-K263 PolarHBondContact O-N 3.24Å; G261-K263 VanDerWaalsContact O-N 3.08Å
262F57.8Low69.1Low224 Ų224100.8 Ų100.898%0.98254%0.543SS*.  trans-65.6105.9167.8-71.2-81.6000109.5
263K50.7Low67.5Low163 Ų163104.4 Ų104.471%0.70956%0.563SS**  trans-98.2-9.1-176.4-67.2-178.5-175.8-174.80114.2G261 Q265G261-K263 PolarHBondContact O-N 3.24Å; G261-K263 VanDerWaalsContact O-N 3.08Å; K263-Q265 PolarHBondContact O-N 3.34Å
264S46.8Very low66Low90 Ų90111.5 Ų111.563%0.62960%0.6SS**  trans-73.6115.9178-1660000109.7I266S264-I266 VanDerWaalsContact C-N 3.31Å; S264-I266 PolarHBondContact OG-N 2.91Å; S264-I266 PolarHBondContact OG-O 3.47Å
265Q56.5Low64.5Low144 Ų144118.2 Ų118.267%0.67363%0.627SS**  trans-964.3164.4-61-173.110.700111.4K263K263-Q265 PolarHBondContact O-N 3.34Å
266I45.3Very low62.9Low137 Ų137127.2 Ų127.270%0.70367%0.67SS**  trans-92.9120.5175.9-52.3176.6000106S264S264-I266 VanDerWaalsContact C-N 3.31Å; S264-I266 PolarHBondContact OG-N 2.91Å; S264-I266 PolarHBondContact OG-O 3.47Å
267P54.2Low61.1Low193 Ų193135.9 Ų135.9100%1.25371%0.708SS**  trans-610174.925-31.5000112.3

Retrieved 267 of 267 residues in 463.2 ms (Link to these results)

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