A0A077Z8Q5_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z8Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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
1M30.7Very low54.7Low237 Ų237106.3 Ų106.3100%1.16763%0.627SS**  0109.40-67.8170.1-176.300107.5
2N28.4Very low57.9Low169 Ų169101.6 Ų101.690%0.90462%0.617SS**  trans-153.274.9170.8-94.6-18.9000106.4S4N2-S4 PolarHBondContact O-N 2.95Å
3A31.3Very low60.8Low95 Ų9596.3 Ų96.379%0.78559%0.588SS**  trans-66.6118.4162.800000106.4V5A3-V5 PolarHBondContact O-N 3.44Å
4S38.6Very low63.2Low106 Ų10694.6 Ų94.674%0.74157%0.573SS**  trans-58.5102.3168.247.30000108.1N2 E6N2-S4 PolarHBondContact O-N 2.95Å; S4-E6 PolarHBondContact O-N 3.32Å
5V38.4Very low65.3Low115 Ų11588.7 Ų88.770%0.69754%0.537SS*.  trans-64.890162.8-1760000105.2A3 S7A3-V5 PolarHBondContact O-N 3.44Å; V5-S7 PolarHBondContact O-N 2.94Å
6E49.1Very low67Low108 Ų10885.6 Ų85.651%0.50553%0.528SS..  trans-61.591.6153.8-84.8-173.3162.700103.6S4 T8 K27S4-E6 PolarHBondContact O-N 3.32Å; E6-T8 PolarHBondContact O-N 3.07Å; E6-K27 IonicContact OE1-NZ 2.68Å; E6-K27 PolarHBondContact OE1-NZ 3Å
7S53.9Low68.6Low44 Ų4483 Ų8331%0.30852%0.522SS..  trans-64.787.2172.153.40000106.4V5 I9 L87V5-S7 PolarHBondContact O-N 2.94Å; S7-I9 PolarHBondContact O-N 3.31Å; S7-L87 WeakPolarHBondContact OG-CD2 3.06Å
8T65.1Low70.1Confident94 Ų9482.3 Ų82.358%0.57751%0.508SS*.  trans-63.8102177.6160000107.7E6 T10 M32E6-T8 PolarHBondContact O-N 3.07Å; T8-T10 PolarHBondContact O-N 3.06Å; T8-M32 HydrophobicContact CG2-CE 4.21Å
9I84.1Confident71.6Confident17 Ų1778 Ų789%0.08748%0.481CS..PPolyproline II helixtrans-56.6123.4165.1-58.2178000106.9S7 I15 V21 Y34 M47 V49 L87S7-I9 PolarHBondContact O-N 3.31Å; I9-I15 HydrophobicContact CD1-CD1 4.34Å; I9-I15 HydrophobicContact CD1-CG1 4.44Å; I9-I15 HydrophobicContact CG2-CD1 4.14Å; I9-I15 HydrophobicContact CG2-CG1 4.3Å; I9-V21 HydrophobicContact CG2-CB 4.21Å; I9-V21 HydrophobicContact CG2-CG1 4.05Å; I9-V21 HydrophobicContact CG2-CG2 3.54Å; I9-Y34 HydrophobicContact CB-CE1 4.22Å; I9-Y34 HydrophobicContact CB-CE2 4.13Å; I9-Y34 HydrophobicContact CD1-CD2 4.35Å; I9-Y34 HydrophobicContact CD1-CE2 3.9Å; I9-Y34 HydrophobicContact CG1-CE2 4.36Å; I9-Y34 PolarHBondContact O-OH 2.92Å; I9-M47 HydrophobicContact CD1-CE 4.13Å; I9-V49 HydrophobicContact CD1-CB 4.11Å; I9-V49 HydrophobicContact CD1-CG1 3.67Å; I9-V49 HydrophobicContact CD1-CG2 3.77Å; I9-L87 HydrophobicContact CD1-CD1 3.72Å; I9-L87 HydrophobicContact CG1-CD1 3.72Å
10T88.7Confident72.8Confident88 Ų8876.7 Ų76.754%0.5447%0.471SS..PPolyproline II helixtrans-85.9148.6177.854.10000110.4T8 G12 S13T8-T10 PolarHBondContact O-N 3.06Å; T10-G12 PolarHBondContact O-N 3.28Å; T10-S13 WeakPolarHBondContact O-CB 3.36Å; T10-S13 PolarHBondContact O-N 3.37Å; T10-S13 VanDerWaalsContact O-N 3.09Å; T10-S13 PolarHBondContact O-OG 2.89Å; T10-S13 PolarHBondContact OG1-OG 3.41Å
11V92.9Very high74Confident96 Ų9673 Ų7358%0.58245%0.448SS*.THydrogen-bonded Turntrans-57.3137.8167.6171.20000109S13 Q22V11-S13 VanDerWaalsContact C-N 3.35Å; V11-Q22 WeakPolarHBondContact CG1-O 3.38Å; V11-Q22 WeakPolarHBondContact CG2-O 3.27Å
12G94Very high77.1Confident50 Ų5065.3 Ų65.352%0.51541%0.41SS..THydrogen-bonded Turntrans88.6-10.2-172.200000114.7T10 L20 V21T10-G12 PolarHBondContact O-N 3.28Å; G12-L20 VanDerWaalsContact O-CD1 3.31Å; G12-L20 WeakPolarHBondContact O-CD1 3.34Å; G12-V21 PolarHBondContact N-O 3.44Å
13S94.5Very high80.3Confident33 Ų3362 Ų6223%0.23138%0.384CS..  trans-65139174.8-70.90000111.7T10 V11 V21T10-S13 WeakPolarHBondContact O-CB 3.36Å; T10-S13 PolarHBondContact O-N 3.37Å; T10-S13 VanDerWaalsContact O-N 3.09Å; T10-S13 PolarHBondContact O-OG 2.89Å; T10-S13 PolarHBondContact OG1-OG 3.41Å; V11-S13 VanDerWaalsContact C-N 3.35Å; S13-V21 WeakPolarHBondContact O-CG2 3.31Å; S13-V21 PolarHBondContact O-N 3.37Å
14L95.5Very high83.2Confident73 Ų7363.4 Ų63.438%0.38237%0.369SS..EExtended strand (participates in β ladder)trans-98.8108.2173.5-175.766.6000110.8I39L14-I39 HydrophobicContact CD1-CD1 3.73Å; L14-I39 HydrophobicContact CD1-CG1 4.29Å; L14-I39 HydrophobicContact CD1-CG2 4.03Å; L14-I39 HydrophobicContact CD2-CD1 4Å
15I94.7Very high85.7Confident6 Ų661.5 Ų61.53%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-95134.9-178.4-55.6-55.9000110.7I9 G17 R18 W19 V21 M47 H84 F89I9-I15 HydrophobicContact CD1-CD1 4.34Å; I9-I15 HydrophobicContact CD1-CG1 4.44Å; I9-I15 HydrophobicContact CG2-CD1 4.14Å; I9-I15 HydrophobicContact CG2-CG1 4.3Å; I15-G17 PolarHBondContact O-N 3.06Å; I15-G17 VanDerWaalsContact O-N 3.1Å; I15-R18 PolarHBondContact O-N 2.98Å; I15-R18 VanDerWaalsContact O-N 3.14Å; I15-W19 HydrophobicContact CB-CB 4.4Å; I15-W19 PolarHBondContact N-O 3.44Å; I15-W19 PolarHBondContact O-N 3.38Å; I15-V21 HydrophobicContact CG1-CG2 3.83Å; I15-M47 HydrophobicContact CB-CE 4.11Å; I15-M47 HydrophobicContact CB-SD 3.99Å; I15-M47 HydrophobicContact CG1-CE 3.76Å; I15-M47 HydrophobicContact CG1-SD 4.32Å; I15-M47 HydrophobicContact CG2-CE 4.3Å; I15-M47 HydrophobicContact CG2-SD 3.82Å; I15-H84 HydrophobicContact CG2-CB 3.84Å; I15-F89 HydrophobicContact CG2-CD1 3.84Å; I15-F89 HydrophobicContact CG2-CE1 4.2Å; I15-F89 HydrophobicContact CG2-CG 4.22Å
16G92.4Very high87.9Confident39 Ų3957.3 Ų57.340%0.40233%0.331SS..THydrogen-bonded Turntrans61.517.7179.900000114.5R18 H84G16-R18 PolarHBondContact O-N 3.02Å; G16-H84 PolarHBondContact N-ND1 2.85Å
17G93.4Very high89.3Confident41 Ų4158.6 Ų58.642%0.42333%0.334SS..THydrogen-bonded Turntrans66.317.2-17500000114.3I15I15-G17 PolarHBondContact O-N 3.06Å; I15-G17 VanDerWaalsContact O-N 3.1Å
18R96.1Very high90Very high71 Ų7157.4 Ų57.427%0.26833%0.329SS..THydrogen-bonded Turntrans-143.8-34.9-174.5-176.9177.9178.8-171.6-0.3114.8I15 G16 D38 I39 K40I15-R18 PolarHBondContact O-N 2.98Å; I15-R18 VanDerWaalsContact O-N 3.14Å; G16-R18 PolarHBondContact O-N 3.02Å; R18-D38 WeakPolarHBondContact CG-OD1 3.47Å; R18-D38 IonicContact CZ-OD1 3.78Å; R18-D38 IonicContact CZ-OD2 3.29Å; R18-D38 VanDerWaalsContact NE-CG 3.31Å; R18-D38 IonicContact NE-OD1 2.85Å; R18-D38 PolarHBondContact NE-OD1 3.2Å; R18-D38 IonicContact NE-OD2 3.81Å; R18-D38 PolarHBondContact NE-OD2 3.34Å; R18-D38 IonicContact NH2-OD1 3.53Å; R18-D38 IonicContact NH2-OD2 3.2Å; R18-D38 PolarHBondContact NH2-OD2 2.88Å; R18-I39 WeakPolarHBondContact O-CG1 3.38Å; R18-I39 PolarHBondContact O-N 3.15Å; R18-K40 HydrophobicContact CG-CD 4.32Å; R18-K40 HydrophobicContact CG-CG 4.26Å
19W97.6Very high89.8Confident0 Ų055.4 Ų55.40%033%0.327CS..EExtended strand (participates in β ladder)trans-103.6103.2-167-57.9109.1000110.5I15 V36 D37 D38 Y45 M47 V79 D80 F89 V91I15-W19 HydrophobicContact CB-CB 4.4Å; I15-W19 PolarHBondContact N-O 3.44Å; I15-W19 PolarHBondContact O-N 3.38Å; W19-V36 HydrophobicContact CB-CB 4.15Å; W19-V36 HydrophobicContact CB-CG1 4.44Å; W19-V36 HydrophobicContact CB-CG2 4.22Å; W19-V36 HydrophobicContact CD2-CG2 4.37Å; W19-V36 HydrophobicContact CE3-CG2 3.82Å; W19-D37 WeakPolarHBondContact CA-O 3.48Å; W19-D38 HydrophobicContact CE3-CB 4.18Å; W19-D38 HydrophobicContact CH2-CB 4.15Å; W19-D38 HydrophobicContact CZ3-CB 3.55Å; W19-Y45 HydrophobicContact CH2-CD2 4.33Å; W19-Y45 AromaticContact CZ3-CD2 3.6Å; W19-Y45 HydrophobicContact CZ3-CD2 3.6Å; W19-Y45 HydrophobicContact CZ3-CE2 4.06Å; W19-Y45 HydrophobicContact CZ3-CG 4.16Å; W19-M47 HydrophobicContact CB-SD 4.39Å; W19-V79 HydrophobicContact CH2-CG1 3.55Å; W19-V79 HydrophobicContact CZ2-CG1 3.97Å; W19-D80 HydrophobicContact CZ2-CB 3.64Å; W19-D80 PolarHBondContact NE1-OD2 2.82Å; W19-F89 AromaticContact CD1-CE2 3.93Å; W19-F89 AromaticContact NE1-CE2 3.97Å; W19-V91 HydrophobicContact CD2-CG1 4.19Å; W19-V91 HydrophobicContact CD2-CG2 3.88Å; W19-V91 HydrophobicContact CE3-CG1 4.02Å; W19-V91 HydrophobicContact CG-CG2 4.04Å; W19-V91 HydrophobicContact CH2-CG1 3.88Å; W19-V91 HydrophobicContact CZ2-CB 4.25Å; W19-V91 HydrophobicContact CZ2-CG1 4.03Å; W19-V91 HydrophobicContact CZ2-CG2 4.23Å; W19-V91 HydrophobicContact CZ3-CG1 3.84Å
20L97.4Very high89Confident52 Ų5257.2 Ų57.227%0.27233%0.333SS..EExtended strand (participates in β ladder)trans-81.3121.1179.5-179.563.9000110.1G12 Q22 V36 D37 I39G12-L20 VanDerWaalsContact O-CD1 3.31Å; G12-L20 WeakPolarHBondContact O-CD1 3.34Å; L20-Q22 PolarHBondContact O-N 3.16Å; L20-V36 CarbonylContact O-C 3.58Å; L20-V36 WeakPolarHBondContact O-CA 3.44Å; L20-D37 PolarHBondContact N-O 3.13Å; L20-D37 PolarHBondContact O-N 3.47Å; L20-I39 HydrophobicContact CB-CG2 3.73Å
21V97.1Very high88.5Confident0 Ų053.8 Ų53.80%032%0.316CS..EExtended strand (participates in β ladder)trans-78.5117.3-175.5178.40000110.8I9 G12 S13 I15 Y34 V36 M47I9-V21 HydrophobicContact CG2-CB 4.21Å; I9-V21 HydrophobicContact CG2-CG1 4.05Å; I9-V21 HydrophobicContact CG2-CG2 3.54Å; G12-V21 PolarHBondContact N-O 3.44Å; S13-V21 WeakPolarHBondContact O-CG2 3.31Å; S13-V21 PolarHBondContact O-N 3.37Å; I15-V21 HydrophobicContact CG1-CG2 3.83Å; V21-Y34 HydrophobicContact CG1-CD1 3.65Å; V21-Y34 HydrophobicContact CG1-CE1 4.28Å; V21-Y34 HydrophobicContact CG1-CG 4.18Å; V21-V36 HydrophobicContact CG2-CG1 4.15Å; V21-M47 HydrophobicContact CG2-CE 3.84Å
22Q96.3Very high88.4Confident75 Ų7550 Ų5035%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-93.8-51.8-177.5-66.7-59.1-19.700112.8V11 L20 A35 D37V11-Q22 WeakPolarHBondContact CG1-O 3.38Å; V11-Q22 WeakPolarHBondContact CG2-O 3.27Å; L20-Q22 PolarHBondContact O-N 3.16Å; Q22-A35 HydrophobicContact CB-CB 4.4Å; Q22-A35 PolarHBondContact N-O 3.16Å; Q22-D37 HydrophobicContact CG-CB 4.45Å; Q22-D37 WeakPolarHBondContact CG-OD2 3.48Å; Q22-D37 PolarHBondContact NE2-OD2 3.3Å
23R94.4Very high88.3Confident98 Ų9849 Ų4937%0.3728%0.276SS..EExtended strand (participates in β ladder)trans-157.9158.9179.360.1177.5177.2132.80.1111.4Y34 A35 E299R23-Y34 CarbonylContact O-C 3.57Å; R23-Y34 VanDerWaalsContact O-CA 3.31Å; R23-Y34 WeakPolarHBondContact O-CA 3.47Å; R23-A35 HydrophobicContact CG-CB 3.9Å; R23-A35 PolarHBondContact O-N 2.91Å; R23-E299 IonicContact NH2-OE2 2.8Å; R23-E299 PolarHBondContact NH2-OE2 2.86Å
24R93.2Very high88.4Confident126 Ų12647.7 Ų47.748%0.47527%0.266SS..EExtended strand (participates in β ladder)trans-76.8129170-174.1-179.8177.7-179.50.7109.5G26 M32 Y34R24-G26 PolarHBondContact NE-O 3.44Å; R24-M32 VanDerWaalsContact CZ-CE 3.41Å; R24-Y34 HydrophobicContact CB-CD1 4.12Å; R24-Y34 HydrophobicContact CB-CE1 4.1Å; R24-Y34 HydrophobicContact CG-CE1 4.32Å
25L90.1Very high88.4Confident66 Ų6644.3 Ų44.335%0.34625%0.249SC..EExtended strand (participates in β ladder)trans-91.1-33.8174.5-65.8175.6000111.8V33 A35 A46 K94L25-V33 HydrophobicContact CB-CB 4.45Å; L25-V33 HydrophobicContact CB-CG1 4.24Å; L25-V33 HydrophobicContact CD1-CG1 4.22Å; L25-V33 PolarHBondContact N-O 3.16Å; L25-A35 HydrophobicContact CD1-CB 4.12Å; L25-A35 HydrophobicContact CD2-CB 4.06Å; L25-A35 HydrophobicContact CG-CB 4.05Å; L25-A46 HydrophobicContact CD1-CB 4.3Å; L25-K94 HydrophobicContact CD1-CD 4.4Å
26G85.3Confident88.6Confident27 Ų2744 Ų4428%0.27825%0.247SC..EExtended strand (participates in β ladder)trans176.6-172.7179.200000114.5R24 V33R24-G26 PolarHBondContact NE-O 3.44Å; G26-V33 PolarHBondContact N-O 3.46Å; G26-V33 PolarHBondContact O-N 3.23Å
27K79.6Confident88.8Confident135 Ų13544.3 Ų44.359%0.58724%0.239SC*.EExtended strand (participates in β ladder)trans-109.1111.4167.1-167.9168.4-178.8154.80107.1E6 G31E6-K27 IonicContact OE1-NZ 2.68Å; E6-K27 PolarHBondContact OE1-NZ 3Å; K27-G31 CarbonylContact C-O 3.56Å
28G66.6Low89Confident18 Ų1843 Ų4319%0.18622%0.223CC..EExtended strand (participates in β ladder)trans-73.4175.1170.400000110.7Y30 G31G28-Y30 PolarHBondContact O-N 3.36Å; G28-G31 PolarHBondContact N-O 2.89Å
29G62.7Low89Confident53 Ų5344.1 Ų44.155%0.54623%0.233SC..THydrogen-bonded Turntrans-57.7-22.718000000114.9
30Y66.2Low88.7Confident54 Ų5452 Ų5221%0.21227%0.267CS..THydrogen-bonded Turntrans-129.91.3-169.7-53.1-57.7000115.1G28 K58 L164G28-Y30 PolarHBondContact O-N 3.36Å; Y30-K58 HydrophobicContact CD1-CD 3.27Å; Y30-K58 HydrophobicContact CD2-CB 4.08Å; Y30-K58 HydrophobicContact CD2-CD 3.71Å; Y30-K58 HydrophobicContact CE1-CD 3.4Å; Y30-K58 HydrophobicContact CE2-CD 3.79Å; Y30-K58 HydrophobicContact CG-CB 4.12Å; Y30-K58 HydrophobicContact CG-CD 3.45Å; Y30-K58 VanDerWaalsContact CG-CD 3.45Å; Y30-K58 HydrophobicContact CG-CG 4.42Å; Y30-L164 HydrophobicContact CE2-CG 4.41Å; Y30-L164 WeakPolarHBondContact OH-CD1 3.45Å; Y30-L164 WeakPolarHBondContact OH-CD2 3.39Å; Y30-L164 WeakPolarHBondContact OH-CG 3.31Å
31G79Confident88.3Confident17 Ų1751.4 Ų51.418%0.17527%0.274CS..EExtended strand (participates in β ladder)trans175.7-156.4-173.500000112.2K27 G28 V49K27-G31 CarbonylContact C-O 3.56Å; G28-G31 PolarHBondContact N-O 2.89Å; G31-V49 VanDerWaalsContact CA-O 3.31Å; G31-V49 WeakPolarHBondContact CA-O 3.44Å
32M90Very high87.7Confident15 Ų1557.3 Ų57.37%0.07431%0.31CS..EExtended strand (participates in β ladder)trans-112148.8-176-63.8171.381.700109.4T8 R24 Y34 K48 V49T8-M32 HydrophobicContact CG2-CE 4.21Å; R24-M32 VanDerWaalsContact CZ-CE 3.41Å; M32-Y34 HydrophobicContact CB-CD2 4.23Å; M32-Y34 HydrophobicContact CB-CE2 3.42Å; M32-Y34 VanDerWaalsContact CB-CE2 3.42Å; M32-Y34 WeakPolarHBondContact CE-OH 3.41Å; M32-Y34 PolarHBondContact SD-OH 3.49Å; M32-Y34 VanDerWaalsContact SD-OH 3.36Å; M32-K48 WeakPolarHBondContact O-CA 3.36Å; M32-V49 HydrophobicContact CB-CG2 4.04Å; M32-V49 PolarHBondContact N-O 2.76Å; M32-V49 PolarHBondContact O-N 3.28Å
33V93Very high87.5Confident30 Ų3055.9 Ų55.918%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-118.6132.5175.5-172.90000108L25 G26 A46 M47 K48L25-V33 HydrophobicContact CB-CB 4.45Å; L25-V33 HydrophobicContact CB-CG1 4.24Å; L25-V33 HydrophobicContact CD1-CG1 4.22Å; L25-V33 PolarHBondContact N-O 3.16Å; G26-V33 PolarHBondContact N-O 3.46Å; G26-V33 PolarHBondContact O-N 3.23Å; V33-A46 HydrophobicContact CG1-CB 4.38Å; V33-M47 CarbonylContact C-O 3.56Å; V33-M47 WeakPolarHBondContact CA-O 3.39Å; V33-K48 HydrophobicContact CG2-CB 4.36Å; V33-K48 HydrophobicContact CG2-CG 4.1Å
34Y95.3Very high87.6Confident5 Ų554.7 Ų54.72%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-125.7149.2-177.1-63.8-92.1000110.6I9 V21 R23 R24 M32 A46 M47 V49I9-Y34 HydrophobicContact CB-CE1 4.22Å; I9-Y34 HydrophobicContact CB-CE2 4.13Å; I9-Y34 HydrophobicContact CD1-CD2 4.35Å; I9-Y34 HydrophobicContact CD1-CE2 3.9Å; I9-Y34 HydrophobicContact CG1-CE2 4.36Å; I9-Y34 PolarHBondContact O-OH 2.92Å; V21-Y34 HydrophobicContact CG1-CD1 3.65Å; V21-Y34 HydrophobicContact CG1-CE1 4.28Å; V21-Y34 HydrophobicContact CG1-CG 4.18Å; R23-Y34 CarbonylContact O-C 3.57Å; R23-Y34 VanDerWaalsContact O-CA 3.31Å; R23-Y34 WeakPolarHBondContact O-CA 3.47Å; R24-Y34 HydrophobicContact CB-CD1 4.12Å; R24-Y34 HydrophobicContact CB-CE1 4.1Å; R24-Y34 HydrophobicContact CG-CE1 4.32Å; M32-Y34 HydrophobicContact CB-CD2 4.23Å; M32-Y34 HydrophobicContact CB-CE2 3.42Å; M32-Y34 VanDerWaalsContact CB-CE2 3.42Å; M32-Y34 WeakPolarHBondContact CE-OH 3.41Å; M32-Y34 PolarHBondContact SD-OH 3.49Å; M32-Y34 VanDerWaalsContact SD-OH 3.36Å; Y34-A46 CarbonylContact O-C 3.53Å; Y34-A46 WeakPolarHBondContact O-CA 3.19Å; Y34-M47 HydrophobicContact CD2-CE 4.47Å; Y34-M47 PolarHBondContact N-O 3.49Å; Y34-M47 PolarHBondContact O-N 3.49Å; Y34-V49 HydrophobicContact CD2-CG2 4.16Å; Y34-V49 HydrophobicContact CE2-CG2 3.71Å
35A96.5Very high87.8Confident3 Ų350.3 Ų50.33%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-79.2131.1160.300000107.8Q22 R23 L25 T44 Y45Q22-A35 HydrophobicContact CB-CB 4.4Å; Q22-A35 PolarHBondContact N-O 3.16Å; R23-A35 HydrophobicContact CG-CB 3.9Å; R23-A35 PolarHBondContact O-N 2.91Å; L25-A35 HydrophobicContact CD1-CB 4.12Å; L25-A35 HydrophobicContact CD2-CB 4.06Å; L25-A35 HydrophobicContact CG-CB 4.05Å; A35-T44 HydrophobicContact CB-CG2 4.1Å; A35-Y45 CarbonylContact C-O 3.48Å; A35-Y45 WeakPolarHBondContact CA-O 3.48Å
36V97.8Very high88Confident0 Ų047.7 Ų47.70%029%0.29CS..EExtended strand (participates in β ladder)trans-132142.5178.6-60.60000110.8W19 L20 V21 T44 Y45 M47 V91W19-V36 HydrophobicContact CB-CB 4.15Å; W19-V36 HydrophobicContact CB-CG1 4.44Å; W19-V36 HydrophobicContact CB-CG2 4.22Å; W19-V36 HydrophobicContact CD2-CG2 4.37Å; W19-V36 HydrophobicContact CE3-CG2 3.82Å; L20-V36 CarbonylContact O-C 3.58Å; L20-V36 WeakPolarHBondContact O-CA 3.44Å; V21-V36 HydrophobicContact CG2-CG1 4.15Å; V36-T44 CarbonylContact O-C 3.5Å; V36-T44 WeakPolarHBondContact O-CA 3.38Å; V36-Y45 PolarHBondContact N-O 3.33Å; V36-Y45 PolarHBondContact O-N 3.06Å; V36-M47 HydrophobicContact CB-CB 4.38Å; V36-M47 HydrophobicContact CG1-CB 3.56Å; V36-M47 HydrophobicContact CG1-CE 3.6Å; V36-M47 HydrophobicContact CG1-CG 4.39Å; V36-M47 HydrophobicContact CG1-SD 4.02Å; V36-M47 HydrophobicContact CG2-CB 3.81Å; V36-V91 HydrophobicContact CG2-CG1 4.22Å
37D97.8Very high88.6Confident45 Ų4546.4 Ų46.424%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-98.4143.9170.8-64.8-24.6000110.4W19 L20 Q22 I39 T44W19-D37 WeakPolarHBondContact CA-O 3.48Å; L20-D37 PolarHBondContact N-O 3.13Å; L20-D37 PolarHBondContact O-N 3.47Å; Q22-D37 HydrophobicContact CG-CB 4.45Å; Q22-D37 WeakPolarHBondContact CG-OD2 3.48Å; Q22-D37 PolarHBondContact NE2-OD2 3.3Å; D37-I39 PolarHBondContact O-N 3.32Å; D37-T44 WeakPolarHBondContact OD1-CA 3.44Å; D37-T44 VanDerWaalsContact OD1-CB 3.31Å; D37-T44 WeakPolarHBondContact OD1-CB 3.42Å; D37-T44 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T44 PolarHBondContact OD1-OG1 2.9Å
38D97.3Very high89.3Confident13 Ų1340.4 Ų40.47%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-80.5106.8172.4-171.8-2.6000110.3R18 W19 K40 G41 G43 Y45R18-D38 WeakPolarHBondContact CG-OD1 3.47Å; R18-D38 IonicContact CZ-OD1 3.78Å; R18-D38 IonicContact CZ-OD2 3.29Å; R18-D38 VanDerWaalsContact NE-CG 3.31Å; R18-D38 IonicContact NE-OD1 2.85Å; R18-D38 PolarHBondContact NE-OD1 3.2Å; R18-D38 IonicContact NE-OD2 3.81Å; R18-D38 PolarHBondContact NE-OD2 3.34Å; R18-D38 IonicContact NH2-OD1 3.53Å; R18-D38 IonicContact NH2-OD2 3.2Å; R18-D38 PolarHBondContact NH2-OD2 2.88Å; W19-D38 HydrophobicContact CE3-CB 4.18Å; W19-D38 HydrophobicContact CH2-CB 4.15Å; W19-D38 HydrophobicContact CZ3-CB 3.55Å; D38-K40 PolarHBondContact O-N 3.34Å; D38-K40 PolarHBondContact OD1-N 3.12Å; D38-G41 CarbonylContact O-C 3.59Å; D38-G41 PolarHBondContact O-N 3.27Å; D38-G41 PolarHBondContact OD1-N 2.96Å; D38-G43 PolarHBondContact N-O 3.49Å; D38-Y45 HydrophobicContact CB-CD2 4.45Å; D38-Y45 HydrophobicContact CB-CE2 4.05Å
39I95.5Very high90.5Very high94 Ų9439.9 Ų39.948%0.48224%0.244SC..THydrogen-bonded Turntrans-69.1-14.8179.173.2168.5000113.2L14 R18 L20 D37L14-I39 HydrophobicContact CD1-CD1 3.73Å; L14-I39 HydrophobicContact CD1-CG1 4.29Å; L14-I39 HydrophobicContact CD1-CG2 4.03Å; L14-I39 HydrophobicContact CD2-CD1 4Å; R18-I39 WeakPolarHBondContact O-CG1 3.38Å; R18-I39 PolarHBondContact O-N 3.15Å; L20-I39 HydrophobicContact CB-CG2 3.73Å; D37-I39 PolarHBondContact O-N 3.32Å
40K91.9Very high91.8Very high165 Ų16538 Ų3872%0.71722%0.221SC*.THydrogen-bonded Turntrans-97.7-8.1178.6-65.4-171.5178.1-175.30112.9R18 D38R18-K40 HydrophobicContact CG-CD 4.32Å; R18-K40 HydrophobicContact CG-CG 4.26Å; D38-K40 PolarHBondContact O-N 3.34Å; D38-K40 PolarHBondContact OD1-N 3.12Å
41G88.3Confident92.9Very high40 Ų4038.1 Ų38.141%0.41223%0.227SC..SBendtrans-141.9-156.6-173.300000110.7D38D38-G41 CarbonylContact O-C 3.59Å; D38-G41 PolarHBondContact O-N 3.27Å; D38-G41 PolarHBondContact OD1-N 2.96Å
42T84.9Confident93.1Very high125 Ų12542.2 Ų42.277%0.76724%0.238SC*.SBendtrans-120.1149.3172.958.70000109.8Y45T42-Y45 PolarHBondContact O-OH 3.45Å
43G92.7Very high92.7Very high44 Ų4448.1 Ų48.145%0.45426%0.263SS..  trans107.4157.1171.600000115.1D38 Y45D38-G43 PolarHBondContact N-O 3.49Å; G43-Y45 WeakPolarHBondContact O-CD2 3.3Å; G43-Y45 WeakPolarHBondContact O-CE2 3.35Å
44T95.7Very high91.5Very high73 Ų7359.2 Ų59.245%0.44830%0.302SS..EExtended strand (participates in β ladder)trans-104134.8177.5-54.20000109.9A35 V36 D37 K94A35-T44 HydrophobicContact CB-CG2 4.1Å; V36-T44 CarbonylContact O-C 3.5Å; V36-T44 WeakPolarHBondContact O-CA 3.38Å; D37-T44 WeakPolarHBondContact OD1-CA 3.44Å; D37-T44 VanDerWaalsContact OD1-CB 3.31Å; D37-T44 WeakPolarHBondContact OD1-CB 3.42Å; D37-T44 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T44 PolarHBondContact OD1-OG1 2.9Å; T44-K94 HydrophobicContact CG2-CD 4.33Å
45Y97.1Very high90.6Very high35 Ų3563.7 Ų63.714%0.13733%0.33CS..EExtended strand (participates in β ladder)trans-125.4167.2-174.5-62.2-86.9000111.1W19 A35 V36 D38 T42 G43 V79 V91 M92W19-Y45 HydrophobicContact CH2-CD2 4.33Å; W19-Y45 AromaticContact CZ3-CD2 3.6Å; W19-Y45 HydrophobicContact CZ3-CD2 3.6Å; W19-Y45 HydrophobicContact CZ3-CE2 4.06Å; W19-Y45 HydrophobicContact CZ3-CG 4.16Å; A35-Y45 CarbonylContact C-O 3.48Å; A35-Y45 WeakPolarHBondContact CA-O 3.48Å; V36-Y45 PolarHBondContact N-O 3.33Å; V36-Y45 PolarHBondContact O-N 3.06Å; D38-Y45 HydrophobicContact CB-CD2 4.45Å; D38-Y45 HydrophobicContact CB-CE2 4.05Å; T42-Y45 PolarHBondContact O-OH 3.45Å; G43-Y45 WeakPolarHBondContact O-CD2 3.3Å; G43-Y45 WeakPolarHBondContact O-CE2 3.35Å; Y45-V79 HydrophobicContact CD1-CB 4.48Å; Y45-V79 HydrophobicContact CD1-CG1 4.41Å; Y45-V79 HydrophobicContact CD1-CG2 3.69Å; Y45-V79 HydrophobicContact CE1-CG1 4.26Å; Y45-V79 HydrophobicContact CE1-CG2 3.69Å; Y45-V91 HydrophobicContact CG-CG1 4.14Å; Y45-M92 WeakPolarHBondContact CB-O 3.39Å
46A96.1Very high89.7Confident10 Ų1071.5 Ų71.58%0.08337%0.37CS..EExtended strand (participates in β ladder)trans-98.3125.9170.200000109.7L25 V33 Y34 V91 M92 K94L25-A46 HydrophobicContact CD1-CB 4.3Å; V33-A46 HydrophobicContact CG1-CB 4.38Å; Y34-A46 CarbonylContact O-C 3.53Å; Y34-A46 WeakPolarHBondContact O-CA 3.19Å; A46-V91 WeakPolarHBondContact O-CA 3.4Å; A46-M92 HydrophobicContact CB-CG 4.27Å; A46-M92 PolarHBondContact N-O 3.4Å; A46-M92 PolarHBondContact O-N 2.96Å; A46-K94 HydrophobicContact CB-CB 4.32Å
47M96.2Very high89Confident0 Ų072.5 Ų72.50%038%0.377CS..EExtended strand (participates in β ladder)trans-111.1115.8174.1-177.8176.968.200110.2I9 I15 W19 V21 V33 Y34 V36 V49 F89 L90 V91I9-M47 HydrophobicContact CD1-CE 4.13Å; I15-M47 HydrophobicContact CB-CE 4.11Å; I15-M47 HydrophobicContact CB-SD 3.99Å; I15-M47 HydrophobicContact CG1-CE 3.76Å; I15-M47 HydrophobicContact CG1-SD 4.32Å; I15-M47 HydrophobicContact CG2-CE 4.3Å; I15-M47 HydrophobicContact CG2-SD 3.82Å; W19-M47 HydrophobicContact CB-SD 4.39Å; V21-M47 HydrophobicContact CG2-CE 3.84Å; V33-M47 CarbonylContact C-O 3.56Å; V33-M47 WeakPolarHBondContact CA-O 3.39Å; Y34-M47 HydrophobicContact CD2-CE 4.47Å; Y34-M47 PolarHBondContact N-O 3.49Å; Y34-M47 PolarHBondContact O-N 3.49Å; V36-M47 HydrophobicContact CB-CB 4.38Å; V36-M47 HydrophobicContact CG1-CB 3.56Å; V36-M47 HydrophobicContact CG1-CE 3.6Å; V36-M47 HydrophobicContact CG1-CG 4.39Å; V36-M47 HydrophobicContact CG1-SD 4.02Å; V36-M47 HydrophobicContact CG2-CB 3.81Å; M47-V49 HydrophobicContact CE-CG1 3.9Å; M47-V49 HydrophobicContact CG-CG1 3.86Å; M47-V49 HydrophobicContact SD-CG1 4.11Å; M47-F89 HydrophobicContact CG-CB 4.08Å; M47-F89 HydrophobicContact SD-CB 4.06Å; M47-F89 HydrophobicContact SD-CD2 4.45Å; M47-F89 HydrophobicContact SD-CG 4.38Å; M47-L90 CarbonylContact C-O 3.48Å; M47-L90 VanDerWaalsContact CA-O 3.3Å; M47-L90 WeakPolarHBondContact CA-O 3.39Å; M47-V91 HydrophobicContact CB-CG2 4.34Å; M47-V91 HydrophobicContact CG-CG2 4.15Å
48K94.5Very high88.4Confident10 Ų1073.5 Ų73.54%0.04338%0.379CS..EExtended strand (participates in β ladder)trans-93.6132.6170.7-169.6174-166.4179.80108.9M32 V33 L59 E62 F89 L90 M92 D161M32-K48 WeakPolarHBondContact O-CA 3.36Å; V33-K48 HydrophobicContact CG2-CB 4.36Å; V33-K48 HydrophobicContact CG2-CG 4.1Å; K48-L59 HydrophobicContact CB-CD1 3.91Å; K48-L59 HydrophobicContact CD-CD1 3.75Å; K48-L59 HydrophobicContact CG-CD1 3.69Å; K48-E62 WeakPolarHBondContact CE-OE2 3.44Å; K48-E62 IonicContact NZ-OE1 2.91Å; K48-E62 PolarHBondContact NZ-OE1 3.25Å; K48-E62 IonicContact NZ-OE2 3.68Å; K48-E62 PolarHBondContact NZ-OE2 3.42Å; K48-F89 CarbonylContact O-C 3.57Å; K48-F89 WeakPolarHBondContact O-CA 3.44Å; K48-L90 PolarHBondContact N-O 3.41Å; K48-L90 PolarHBondContact O-N 2.99Å; K48-M92 HydrophobicContact CB-CE 4.18Å; K48-D161 IonicContact NZ-OD1 2.66Å; K48-D161 PolarHBondContact NZ-OD1 3.2Å; K48-D161 IonicContact NZ-OD2 2.76Å
49V92.7Very high88.1Confident7 Ų773 Ų734%0.04238%0.377CS..EExtended strand (participates in β ladder)trans-125.2143.2-179.3-590000111.7I9 G31 M32 Y34 M47 E88 F89I9-V49 HydrophobicContact CD1-CB 4.11Å; I9-V49 HydrophobicContact CD1-CG1 3.67Å; I9-V49 HydrophobicContact CD1-CG2 3.77Å; G31-V49 VanDerWaalsContact CA-O 3.31Å; G31-V49 WeakPolarHBondContact CA-O 3.44Å; M32-V49 HydrophobicContact CB-CG2 4.04Å; M32-V49 PolarHBondContact N-O 2.76Å; M32-V49 PolarHBondContact O-N 3.28Å; Y34-V49 HydrophobicContact CD2-CG2 4.16Å; Y34-V49 HydrophobicContact CE2-CG2 3.71Å; M47-V49 HydrophobicContact CE-CG1 3.9Å; M47-V49 HydrophobicContact CG-CG1 3.86Å; M47-V49 HydrophobicContact SD-CG1 4.11Å; V49-E88 VanDerWaalsContact CA-O 3.31Å; V49-E88 WeakPolarHBondContact CA-O 3.49Å; V49-F89 HydrophobicContact CG1-CB 3.91Å
50E90.3Very high87.9Confident14 Ų1474.9 Ų74.97%0.06538%0.378CS..EExtended strand (participates in β ladder)trans-132.6132.4174.6-179.4175.6-175.800109.2R52 K58 L59 E88E50-R52 PolarHBondContact O-N 2.82Å; E50-K58 PolarHBondContact OE2-N 2.92Å; E50-L59 HydrophobicContact CB-CB 4.12Å; E50-L59 HydrophobicContact CB-CD2 4.07Å; E50-L59 WeakPolarHBondContact OE2-CB 3.32Å; E50-L59 PolarHBondContact OE2-N 2.98Å; E50-E88 PolarHBondContact N-O 3.02Å; E50-E88 PolarHBondContact O-N 2.92Å
51T87.7Confident87.9Confident55 Ų5570 Ų7034%0.33736%0.356SS..EExtended strand (participates in β ladder)trans-65.9129.6170.1-49.70000109.4K53T51-K53 PolarHBondContact O-N 3.2Å
52R83.6Confident88.2Confident103 Ų10368.4 Ų68.439%0.38934%0.338SS..  trans-58.1128.8-179.4-71.1171.765.5-155.3-4.7110.6E50 E85 Q86 E88E50-R52 PolarHBondContact O-N 2.82Å; R52-E85 PolarHBondContact NH1-O 3.03Å; R52-Q86 VanDerWaalsContact CB-O 3.31Å; R52-Q86 WeakPolarHBondContact CB-O 3.26Å; R52-Q86 VanDerWaalsContact CG-O 3.24Å; R52-Q86 WeakPolarHBondContact CG-O 3.14Å; R52-Q86 PolarHBondContact N-O 3.4Å; R52-E88 HydrophobicContact CG-CG 3.8Å
53K81.2Confident88.6Confident140 Ų14063.1 Ų63.161%0.60931%0.306SS*.  trans-122.7162.4174.2-67.3172.4-171.6170.30109.4T51 T55T51-K53 PolarHBondContact O-N 3.2Å; K53-T55 PolarHBondContact O-N 3.06Å
54R68Low88.8Confident263 Ų26366.2 Ų66.299%0.99230%0.304SS*.SBendtrans-68.8-22.4174.1-68.5-176.270.9163.11.8112.8
55T76.9Confident88.8Confident99 Ų9962.7 Ų62.761%0.60728%0.283SS*.SBendtrans-78.4162.4178.353.70000111.8K53 S57K53-T55 PolarHBondContact O-N 3.06Å; T55-S57 PolarHBondContact O-N 2.87Å; T55-S57 VanDerWaalsContact O-N 3.16Å
56L77Confident88.8Confident167 Ų16761.2 Ų61.287%0.87428%0.277SS*.PPolyproline II helixtrans-51.7120.8174.5-68.5171.3000111.3K58L56-K58 PolarHBondContact O-N 3.33Å
57S83.5Confident88.8Confident21 Ų2165.7 Ų65.715%0.14730%0.295CS..PPolyproline II helixtrans-68.1125.2178.5166.50000110.3T55 L59 R60 K61 E88T55-S57 PolarHBondContact O-N 2.87Å; T55-S57 VanDerWaalsContact O-N 3.16Å; S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact OG-N 3.11Å; S57-R60 PolarHBondContact OG-N 3.25Å; S57-R60 VanDerWaalsContact OG-N 3.16Å; S57-K61 PolarHBondContact O-N 3.1Å; S57-E88 WeakPolarHBondContact CB-OE2 3.44Å; S57-E88 PolarHBondContact OG-OE2 3.44Å
58K85.5Confident88.8Confident65 Ų6571.3 Ų71.328%0.28332%0.319SS..Hα-helixtrans-72.6-32.8176.7-70.3178.3179-176.10110.1Y30 E50 L56 R60 K61 E62Y30-K58 HydrophobicContact CD1-CD 3.27Å; Y30-K58 HydrophobicContact CD2-CB 4.08Å; Y30-K58 HydrophobicContact CD2-CD 3.71Å; Y30-K58 HydrophobicContact CE1-CD 3.4Å; Y30-K58 HydrophobicContact CE2-CD 3.79Å; Y30-K58 HydrophobicContact CG-CB 4.12Å; Y30-K58 HydrophobicContact CG-CD 3.45Å; Y30-K58 VanDerWaalsContact CG-CD 3.45Å; Y30-K58 HydrophobicContact CG-CG 4.42Å; E50-K58 PolarHBondContact OE2-N 2.92Å; L56-K58 PolarHBondContact O-N 3.33Å; K58-R60 PolarHBondContact O-N 3.23Å; K58-K61 PolarHBondContact O-N 3.33Å; K58-E62 WeakPolarHBondContact O-CB 3.43Å; K58-E62 PolarHBondContact O-N 2.92Å
59L90.9Very high89Confident4 Ų471.2 Ų71.22%0.02132%0.319CS..Hα-helixtrans-63.1-37.4175.7-164.364.1000113K48 E50 S57 E62 T63 E88 L90K48-L59 HydrophobicContact CB-CD1 3.91Å; K48-L59 HydrophobicContact CD-CD1 3.75Å; K48-L59 HydrophobicContact CG-CD1 3.69Å; E50-L59 HydrophobicContact CB-CB 4.12Å; E50-L59 HydrophobicContact CB-CD2 4.07Å; E50-L59 WeakPolarHBondContact OE2-CB 3.32Å; E50-L59 PolarHBondContact OE2-N 2.98Å; S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact OG-N 3.11Å; L59-E62 PolarHBondContact O-N 3.42Å; L59-T63 WeakPolarHBondContact O-CB 3.43Å; L59-T63 PolarHBondContact O-N 2.65Å; L59-T63 PolarHBondContact O-OG1 2.89Å; L59-E88 VanDerWaalsContact CD2-C 3.49Å; L59-E88 HydrophobicContact CD2-CB 3.99Å; L59-E88 WeakPolarHBondContact CD2-O 3.24Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.2Å; L59-L90 HydrophobicContact CD2-CB 4.42Å; L59-L90 HydrophobicContact CG-CB 4.07Å
60R91.4Very high89.2Confident133 Ų13374.5 Ų74.550%0.50235%0.347SS..Hα-helixtrans-64.4-42.2173.8-73.1-174.7-167.2179.76.2112.5S57 K58 E62 T63 Y64 E88S57-R60 PolarHBondContact OG-N 3.25Å; S57-R60 VanDerWaalsContact OG-N 3.16Å; K58-R60 PolarHBondContact O-N 3.23Å; R60-E62 VanDerWaalsContact C-N 3.35Å; R60-T63 WeakPolarHBondContact O-CB 3.29Å; R60-T63 PolarHBondContact O-N 3Å; R60-Y64 PolarHBondContact O-N 3.16Å; R60-E88 IonicContact CZ-OE1 2.72Å; R60-E88 IonicContact NE-OE1 3.53Å; R60-E88 PolarHBondContact NE-OE1 3.34Å; R60-E88 IonicContact NE-OE2 2.98Å; R60-E88 PolarHBondContact NE-OE2 3.21Å; R60-E88 IonicContact NH2-OE1 2.83Å; R60-E88 PolarHBondContact NH2-OE1 2.96Å
61K91.2Very high89.4Confident61 Ų6181.7 Ų81.727%0.26539%0.386SS..Hα-helixtrans-63.4-43.8176-178.8-176.961.8174.80110.9S57 K58 T63 Y64 I65 G163 A165S57-K61 PolarHBondContact O-N 3.1Å; K58-K61 PolarHBondContact O-N 3.33Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.28Å; K61-Y64 WeakPolarHBondContact O-CB 3.11Å; K61-Y64 PolarHBondContact O-N 3.45Å; K61-I65 HydrophobicContact CG-CD1 4Å; K61-I65 WeakPolarHBondContact O-CG1 3.34Å; K61-I65 PolarHBondContact O-N 3.35Å; K61-G163 VanDerWaalsContact CE-O 3.31Å; K61-G163 WeakPolarHBondContact CE-O 3.3Å; K61-G163 PolarHBondContact NZ-O 2.91Å; K61-A165 WeakPolarHBondContact CE-O 3.45Å; K61-A165 PolarHBondContact NZ-O 3.25Å
62E94.3Very high89.8Confident7 Ų779.9 Ų79.93%0.03338%0.375CS..Hα-helixtrans-61.5-42.7175.5-176.7166.5-172.200111.8K48 K58 L59 R60 Y64 I65 L66 L90 F162K48-E62 WeakPolarHBondContact CE-OE2 3.44Å; K48-E62 IonicContact NZ-OE1 2.91Å; K48-E62 PolarHBondContact NZ-OE1 3.25Å; K48-E62 IonicContact NZ-OE2 3.68Å; K48-E62 PolarHBondContact NZ-OE2 3.42Å; K58-E62 WeakPolarHBondContact O-CB 3.43Å; K58-E62 PolarHBondContact O-N 2.92Å; L59-E62 PolarHBondContact O-N 3.42Å; R60-E62 VanDerWaalsContact C-N 3.35Å; E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 PolarHBondContact O-N 3.38Å; E62-I65 PolarHBondContact O-N 2.98Å; E62-L66 WeakPolarHBondContact O-CB 3.32Å; E62-L66 PolarHBondContact O-N 3.01Å; E62-L90 HydrophobicContact CG-CD2 4.01Å; E62-F162 HydrophobicContact CB-CB 4.36Å; E62-F162 HydrophobicContact CG-CB 4.07Å; E62-F162 HydrophobicContact CG-CD2 4.17Å
63T95Very high90.4Very high14 Ų1479.2 Ų79.29%0.08638%0.383CS..Hα-helixtrans-58.4-44.6172.9-57.40000111.7L59 R60 K61 L66 K67 Y78 L90L59-T63 WeakPolarHBondContact O-CB 3.43Å; L59-T63 PolarHBondContact O-N 2.65Å; L59-T63 PolarHBondContact O-OG1 2.89Å; R60-T63 WeakPolarHBondContact O-CB 3.29Å; R60-T63 PolarHBondContact O-N 3Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.28Å; T63-L66 PolarHBondContact O-N 3.45Å; T63-K67 HydrophobicContact CG2-CD 4.35Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 2.65Å; T63-K67 VanDerWaalsContact O-N 3.07Å; T63-Y78 HydrophobicContact CG2-CD2 4.25Å; T63-Y78 HydrophobicContact CG2-CE2 3.79Å; T63-L90 HydrophobicContact CG2-CD1 4.21Å
64Y95.3Very high91.2Very high109 Ų10972.9 Ų72.943%0.42736%0.356SS..Hα-helixtrans-61.5-46.5177.6173.1-95.7000111.9R60 K61 E62 K67 K68 F135R60-Y64 PolarHBondContact O-N 3.16Å; K61-Y64 WeakPolarHBondContact O-CB 3.11Å; K61-Y64 PolarHBondContact O-N 3.45Å; E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 PolarHBondContact O-N 3.38Å; Y64-K67 PolarHBondContact O-N 2.9Å; Y64-K68 HydrophobicContact CE1-CG 4.2Å; Y64-K68 HydrophobicContact CE2-CG 4.47Å; Y64-K68 WeakPolarHBondContact O-CG 3.38Å; Y64-K68 PolarHBondContact O-N 2.86Å; Y64-K68 VanDerWaalsContact O-N 3.16Å; Y64-K68 WeakPolarHBondContact OH-CE 3.36Å; Y64-F135 HydrophobicContact CD1-CE2 4.37Å; Y64-F135 HydrophobicContact CD1-CZ 4.01Å; Y64-F135 AromaticContact CE1-CE2 3.82Å; Y64-F135 HydrophobicContact CE1-CE2 3.82Å; Y64-F135 AromaticContact CE1-CZ 3.71Å; Y64-F135 HydrophobicContact CE1-CZ 3.71Å
65I96.1Very high92.6Very high0 Ų060.8 Ų60.80%031%0.312CS..Hα-helixtrans-64.4-45.9179.2-68.4168.6000110.5K61 E62 K67 K68 L69 L130 I133 F135 F162 A165K61-I65 HydrophobicContact CG-CD1 4Å; K61-I65 WeakPolarHBondContact O-CG1 3.34Å; K61-I65 PolarHBondContact O-N 3.35Å; E62-I65 PolarHBondContact O-N 2.98Å; I65-K67 VanDerWaalsContact C-N 3.3Å; I65-K67 PolarHBondContact O-N 3.08Å; I65-K68 CarbonylContact O-C 3.51Å; I65-K68 WeakPolarHBondContact O-CA 3.24Å; I65-K68 WeakPolarHBondContact O-CB 3.26Å; I65-K68 PolarHBondContact O-N 2.84Å; I65-L69 HydrophobicContact CG2-CD1 3.83Å; I65-L69 HydrophobicContact CG2-CG 4.35Å; I65-L69 WeakPolarHBondContact O-CG 3.18Å; I65-L69 PolarHBondContact O-N 3.3Å; I65-L130 HydrophobicContact CG2-CD1 3.72Å; I65-I133 HydrophobicContact CG2-CD1 4.09Å; I65-F135 HydrophobicContact CD1-CD1 3.56Å; I65-F135 HydrophobicContact CD1-CE1 3.73Å; I65-F135 HydrophobicContact CD1-CG 4.05Å; I65-F135 HydrophobicContact CD1-CZ 4.37Å; I65-F135 HydrophobicContact CG1-CD1 3.96Å; I65-F135 HydrophobicContact CG1-CD2 4.23Å; I65-F135 HydrophobicContact CG1-CE1 3.88Å; I65-F135 HydrophobicContact CG1-CE2 4.17Å; I65-F135 HydrophobicContact CG1-CG 4.14Å; I65-F135 HydrophobicContact CG1-CZ 4Å; I65-F162 HydrophobicContact CB-CB 4.24Å; I65-F162 HydrophobicContact CB-CG 4.33Å; I65-F162 HydrophobicContact CD1-CB 3.87Å; I65-F162 HydrophobicContact CG2-CB 4.03Å; I65-F162 HydrophobicContact CG2-CD1 3.94Å; I65-F162 HydrophobicContact CG2-CD2 3.96Å; I65-F162 HydrophobicContact CG2-CE1 4.44Å; I65-F162 HydrophobicContact CG2-CE2 4.46Å; I65-F162 HydrophobicContact CG2-CG 3.68Å; I65-A165 HydrophobicContact CD1-CB 3.46Å; I65-A165 VanDerWaalsContact CD1-CB 3.46Å
66L96.8Very high93.5Very high3 Ų356.2 Ų56.22%0.01628%0.284CS..Hα-helixtrans-60.2-40.6179.8-158.670.8000112E62 T63 K68 L69 A70 C76 L90 M92 F162E62-L66 WeakPolarHBondContact O-CB 3.32Å; E62-L66 PolarHBondContact O-N 3.01Å; T63-L66 PolarHBondContact O-N 3.45Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 3.12Å; L66-L69 CarbonylContact O-C 3.52Å; L66-L69 PolarHBondContact O-N 2.82Å; L66-A70 PolarHBondContact O-N 3.34Å; L66-C76 HydrophobicContact CD1-CB 4.32Å; L66-C76 WeakPolarHBondContact CD1-O 3.17Å; L66-C76 VanDerWaalsContact CG-O 3.3Å; L66-C76 WeakPolarHBondContact CG-O 3.25Å; L66-L90 HydrophobicContact CD2-CD1 4.28Å; L66-L90 HydrophobicContact CD2-CD2 4.42Å; L66-M92 HydrophobicContact CD2-CB 3.82Å; L66-M92 HydrophobicContact CD2-SD 4.15Å; L66-F162 HydrophobicContact CD1-CD2 4.39Å; L66-F162 HydrophobicContact CD1-CE2 3.76Å
67K97.2Very high94.4Very high104 Ų10454.9 Ų54.945%0.45227%0.267SS..Hα-helixtrans-62.9-35.3173.5-74.8179.1176.2-174.20112.8T63 Y64 I65 L69 A70 Y78T63-K67 HydrophobicContact CG2-CD 4.35Å; T63-K67 WeakPolarHBondContact O-CG 3.41Å; T63-K67 PolarHBondContact O-N 2.65Å; T63-K67 VanDerWaalsContact O-N 3.07Å; Y64-K67 PolarHBondContact O-N 2.9Å; I65-K67 VanDerWaalsContact C-N 3.3Å; I65-K67 PolarHBondContact O-N 3.08Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-A70 WeakPolarHBondContact O-CB 3.5Å; K67-Y78 HydrophobicContact CD-CE1 4.48Å; K67-Y78 VanDerWaalsContact CE-CE2 3.41Å; K67-Y78 VanDerWaalsContact CE-OH 3.32Å; K67-Y78 WeakPolarHBondContact CE-OH 3.28Å; K67-Y78 HydrophobicContact CG-CD1 4.08Å; K67-Y78 HydrophobicContact CG-CD2 4.14Å; K67-Y78 HydrophobicContact CG-CE1 4.44Å; K67-Y78 HydrophobicContact CG-CG 3.91Å; K67-Y78 PolarHBondContact NZ-OH 3.08Å; K67-Y78 VanDerWaalsContact NZ-OH 3.15Å
68K96.3Very high95.1Very high119 Ų11956.7 Ų56.752%0.51727%0.271SS..Hα-helixtrans-74.5-24.2175.8-70.8-68.4-175.9179.90112.9Y64 I65 L66 A70 I133Y64-K68 HydrophobicContact CE1-CG 4.2Å; Y64-K68 HydrophobicContact CE2-CG 4.47Å; Y64-K68 WeakPolarHBondContact O-CG 3.38Å; Y64-K68 PolarHBondContact O-N 2.86Å; Y64-K68 VanDerWaalsContact O-N 3.16Å; Y64-K68 WeakPolarHBondContact OH-CE 3.36Å; I65-K68 CarbonylContact O-C 3.51Å; I65-K68 WeakPolarHBondContact O-CA 3.24Å; I65-K68 WeakPolarHBondContact O-CB 3.26Å; I65-K68 PolarHBondContact O-N 2.84Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 3.12Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-I133 HydrophobicContact CB-CB 4.42Å; K68-I133 HydrophobicContact CB-CD1 3.66Å; K68-I133 HydrophobicContact CB-CG2 4.39Å
69L97.4Very high95.6Very high8 Ų855 Ų554%0.04227%0.266CS..THydrogen-bonded Turntrans-89.816.6175.5-67.2175.3000113.6I65 L66 K67 N71 S72 A75 D129 L130 I133 F162I65-L69 HydrophobicContact CG2-CD1 3.83Å; I65-L69 HydrophobicContact CG2-CG 4.35Å; I65-L69 WeakPolarHBondContact O-CG 3.18Å; I65-L69 PolarHBondContact O-N 3.3Å; L66-L69 CarbonylContact O-C 3.52Å; L66-L69 PolarHBondContact O-N 2.82Å; K67-L69 VanDerWaalsContact C-N 3.33Å; L69-N71 PolarHBondContact O-N 3.44Å; L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.1Å; L69-A75 HydrophobicContact CB-CB 3.66Å; L69-A75 HydrophobicContact CD1-CB 4.02Å; L69-A75 HydrophobicContact CG-CB 4.43Å; L69-D129 HydrophobicContact CD2-CB 4.24Å; L69-L130 HydrophobicContact CD1-CD1 4.17Å; L69-I133 HydrophobicContact CD1-CD1 4.43Å; L69-I133 HydrophobicContact CD2-CD1 3.66Å; L69-I133 HydrophobicContact CD2-CG1 4.1Å; L69-I133 HydrophobicContact CD2-CG2 4.44Å; L69-I133 HydrophobicContact CG-CD1 3.68Å; L69-F162 HydrophobicContact CD1-CE1 4Å; L69-F162 HydrophobicContact CD1-CE2 4.08Å; L69-F162 HydrophobicContact CD1-CZ 3.62Å
70A96.7Very high95.9Very high75 Ų7556.7 Ų56.762%0.6228%0.275SS*.THydrogen-bonded Turntrans-56.5-25.7-175.600000114.7L66 K67 K68L66-A70 PolarHBondContact O-N 3.34Å; K67-A70 WeakPolarHBondContact O-CB 3.5Å; K68-A70 VanDerWaalsContact C-N 3.32Å
71N95.5Very high96.1Very high165 Ų16552.1 Ų52.188%0.88226%0.264SS*.THydrogen-bonded Turntrans-970178.6-63.2-21.7000113.6L69L69-N71 PolarHBondContact O-N 3.44Å
72S96.8Very high96.2Very high17 Ų1750.5 Ų50.512%0.11927%0.265CS..  trans-80.8131.7178.1-177.30000110.1L69 H74 D129L69-S72 WeakPolarHBondContact O-CB 3.35Å; L69-S72 PolarHBondContact O-N 3.1Å; S72-H74 PolarHBondContact O-N 3.12Å; S72-H74 PolarHBondContact OG-N 3.09Å; S72-D129 WeakPolarHBondContact CB-OD2 3.34Å; S72-D129 PolarHBondContact OG-OD2 3.33Å
73T96.2Very high96.1Very high90 Ų9056.9 Ų56.955%0.55229%0.288SS*.THydrogen-bonded Turntrans-67.3-19171.346.20000112.6
74H97.9Very high96Very high7 Ų758.6 Ų58.63%0.03230%0.295CS..THydrogen-bonded Turntrans-109.416.5-173-56.3-68.2000113.3S72 E125 A126 I157 Y158 M159S72-H74 PolarHBondContact O-N 3.12Å; S72-H74 PolarHBondContact OG-N 3.09Å; H74-E125 IonicContact CE1-OE2 2.67Å; H74-E125 IonicContact NE2-OE2 2.86Å; H74-E125 PolarHBondContact NE2-OE2 3.21Å; H74-A126 HydrophobicContact CB-CB 3.4Å; H74-A126 VanDerWaalsContact CB-CB 3.4Å; H74-I157 WeakPolarHBondContact CA-O 3.4Å; H74-I157 WeakPolarHBondContact CB-O 3.4Å; H74-I157 PolarHBondContact ND1-O 3.05Å; H74-Y158 CarbonylContact O-C 3.58Å; H74-Y158 WeakPolarHBondContact O-CA 3.35Å; H74-M159 PolarHBondContact O-N 2.95Å
75A97.4Very high95.7Very high8 Ų860.6 Ų60.67%0.06631%0.308CS..BIsolated β-bridgetrans-121.3141.5175.200000110.6L69 R77L69-A75 HydrophobicContact CB-CB 3.66Å; L69-A75 HydrophobicContact CD1-CB 4.02Å; L69-A75 HydrophobicContact CG-CB 4.43Å; A75-R77 PolarHBondContact O-N 3.49Å
76C96.2Very high95.4Very high4 Ų466.5 Ų66.53%0.02734%0.336CS..PPolyproline II helixtrans-60.5140.1173.3-64.90000110.1L66 Y78 M92 T93 T95 L160L66-C76 HydrophobicContact CD1-CB 4.32Å; L66-C76 WeakPolarHBondContact CD1-O 3.17Å; L66-C76 VanDerWaalsContact CG-O 3.3Å; L66-C76 WeakPolarHBondContact CG-O 3.25Å; C76-Y78 PolarHBondContact O-N 2.85Å; C76-M92 HydrophobicContact CB-CB 4.03Å; C76-M92 HydrophobicContact CB-CG 4.03Å; C76-M92 HydrophobicContact CB-SD 3.84Å; C76-T93 WeakPolarHBondContact CA-OG1 3.32Å; C76-T93 WeakPolarHBondContact CB-OG1 3.43Å; C76-T95 WeakPolarHBondContact SG-CG2 3.25Å; C76-L160 WeakPolarHBondContact SG-CD2 3.25Å
77R95.4Very high95.1Very high138 Ų13866.8 Ų66.852%0.52134%0.337SS..PPolyproline II helixtrans-71126.8176.2-178.8174.961.482.4-3.9109.1A75 M92 T93A75-R77 PolarHBondContact O-N 3.49Å; R77-M92 WeakPolarHBondContact O-CA 3.16Å; R77-M92 WeakPolarHBondContact O-CB 3.43Å; R77-T93 HydrophobicContact CB-CG2 3.73Å; R77-T93 PolarHBondContact N-OG1 3.43Å; R77-T93 PolarHBondContact O-N 3.47Å; R77-T93 VanDerWaalsContact O-N 3.07Å
78Y97.3Very high94.8Very high60 Ų6062.4 Ų62.424%0.23532%0.319CS..EExtended strand (participates in β ladder)trans-61.7132.5168170.6-96.4000110.2T63 K67 C76 D80 S81 L90T63-Y78 HydrophobicContact CG2-CD2 4.25Å; T63-Y78 HydrophobicContact CG2-CE2 3.79Å; K67-Y78 HydrophobicContact CD-CE1 4.48Å; K67-Y78 VanDerWaalsContact CE-CE2 3.41Å; K67-Y78 VanDerWaalsContact CE-OH 3.32Å; K67-Y78 WeakPolarHBondContact CE-OH 3.28Å; K67-Y78 HydrophobicContact CG-CD1 4.08Å; K67-Y78 HydrophobicContact CG-CD2 4.14Å; K67-Y78 HydrophobicContact CG-CE1 4.44Å; K67-Y78 HydrophobicContact CG-CG 3.91Å; K67-Y78 PolarHBondContact NZ-OH 3.08Å; K67-Y78 VanDerWaalsContact NZ-OH 3.15Å; C76-Y78 PolarHBondContact O-N 2.85Å; Y78-D80 VanDerWaalsContact CE2-C 3.49Å; Y78-D80 WeakPolarHBondContact CE2-O 3.33Å; Y78-S81 PolarHBondContact OH-N 3.28Å; Y78-S81 PolarHBondContact OH-OG 3.5Å; Y78-L90 HydrophobicContact CD2-CD1 3.63Å; Y78-L90 HydrophobicContact CE2-CD1 3.82Å
79V96.6Very high94.8Very high28 Ų2857.2 Ų57.217%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-115.8-51.9178.8179.20000110.8W19 Y45 V91W19-V79 HydrophobicContact CH2-CG1 3.55Å; W19-V79 HydrophobicContact CZ2-CG1 3.97Å; Y45-V79 HydrophobicContact CD1-CB 4.48Å; Y45-V79 HydrophobicContact CD1-CG1 4.41Å; Y45-V79 HydrophobicContact CD1-CG2 3.69Å; Y45-V79 HydrophobicContact CE1-CG1 4.26Å; Y45-V79 HydrophobicContact CE1-CG2 3.69Å; V79-V91 HydrophobicContact CB-CB 4.33Å; V79-V91 HydrophobicContact CB-CG1 4.12Å; V79-V91 WeakPolarHBondContact CB-O 3.46Å; V79-V91 HydrophobicContact CG1-CG1 4.29Å; V79-V91 PolarHBondContact N-O 3.24Å
80D96.8Very high94.7Very high41 Ų4156.9 Ų56.922%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-158.1162.9-177.2-167.912.4000110.7W19 Y78 V91W19-D80 HydrophobicContact CZ2-CB 3.64Å; W19-D80 PolarHBondContact NE1-OD2 2.82Å; Y78-D80 VanDerWaalsContact CE2-C 3.49Å; Y78-D80 WeakPolarHBondContact CE2-O 3.33Å; D80-V91 HydrophobicContact CB-CB 4.12Å; D80-V91 HydrophobicContact CB-CG2 4.3Å; D80-V91 PolarHBondContact N-O 3.45Å; D80-V91 PolarHBondContact O-N 3.17Å
81S95.8Very high94.7Very high36 Ų3653.3 Ų53.325%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-158.3143169.156.90000109.5Y78 F89Y78-S81 PolarHBondContact OH-N 3.28Å; Y78-S81 PolarHBondContact OH-OG 3.5Å; S81-F89 CarbonylContact C-O 3.56Å; S81-F89 WeakPolarHBondContact CA-O 3.48Å; S81-F89 WeakPolarHBondContact CB-O 3.35Å
82G94.1Very high94.7Very high28 Ų2846.3 Ų46.329%0.28923%0.227SC..EExtended strand (participates in β ladder)trans-165.4-162-179.200000113.3E88 F89G82-E88 WeakPolarHBondContact O-CA 3.39Å; G82-F89 VanDerWaalsContact C-CD1 3.5Å; G82-F89 VanDerWaalsContact CA-CE1 3.49Å; G82-F89 PolarHBondContact N-O 3.41Å; G82-F89 WeakPolarHBondContact O-CD1 3.4Å; G82-F89 PolarHBondContact O-N 3.43Å
83R92.5Very high94.6Very high141 Ų14146.8 Ų46.853%0.53223%0.229SC..EExtended strand (participates in β ladder)trans-122.1144174-65.8-179.8-173.3154.49.6109L87 E88R83-L87 VanDerWaalsContact CA-O 3.28Å; R83-L87 WeakPolarHBondContact CA-O 3.37Å; R83-E88 HydrophobicContact CG-CG 4.04Å; R83-E88 IonicContact NE-OE1 2.95Å
84H92Very high94.5Very high50 Ų5045.6 Ų45.623%0.23122%0.216CC..EExtended strand (participates in β ladder)trans-141.4112.5171.7-174.780.8000106.8I15 G16 Q86 L87 F89I15-H84 HydrophobicContact CG2-CB 3.84Å; G16-H84 PolarHBondContact N-ND1 2.85Å; H84-Q86 PolarHBondContact O-N 3.29Å; H84-L87 PolarHBondContact N-O 2.64Å; H84-L87 WeakPolarHBondContact O-CA 3.28Å; H84-L87 VanDerWaalsContact O-CB 3.29Å; H84-L87 WeakPolarHBondContact O-CB 3.36Å; H84-L87 PolarHBondContact O-N 3.46Å; H84-F89 HydrophobicContact CB-CD1 4.34Å; H84-F89 HydrophobicContact CB-CE1 4.41Å
85E89.5Confident94.3Very high150 Ų15046.5 Ų46.570%0.70122%0.222SC*.THydrogen-bonded Turntrans52.8-118.8-172.7-52.3-179160.800112.8R52 L87R52-E85 PolarHBondContact NH1-O 3.03Å; E85-L87 VanDerWaalsContact C-N 3.33Å
86Q88.9Confident94.1Very high124 Ų12447.4 Ų47.458%0.57923%0.233SC*.THydrogen-bonded Turntrans-91.39.4177.3-58.7-57.4-24.500113.4R52 H84R52-Q86 VanDerWaalsContact CB-O 3.31Å; R52-Q86 WeakPolarHBondContact CB-O 3.26Å; R52-Q86 VanDerWaalsContact CG-O 3.24Å; R52-Q86 WeakPolarHBondContact CG-O 3.14Å; R52-Q86 PolarHBondContact N-O 3.4Å; H84-Q86 PolarHBondContact O-N 3.29Å
87L90.2Very high93.9Very high9 Ų948.9 Ų48.95%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-106.4144.2-178.4-59.2175.9000111.7S7 I9 R83 H84 E85S7-L87 WeakPolarHBondContact OG-CD2 3.06Å; I9-L87 HydrophobicContact CD1-CD1 3.72Å; I9-L87 HydrophobicContact CG1-CD1 3.72Å; R83-L87 VanDerWaalsContact CA-O 3.28Å; R83-L87 WeakPolarHBondContact CA-O 3.37Å; H84-L87 PolarHBondContact N-O 2.64Å; H84-L87 WeakPolarHBondContact O-CA 3.28Å; H84-L87 VanDerWaalsContact O-CB 3.29Å; H84-L87 WeakPolarHBondContact O-CB 3.36Å; H84-L87 PolarHBondContact O-N 3.46Å; E85-L87 VanDerWaalsContact C-N 3.33Å
88E92.4Very high94Very high13 Ų1343.8 Ų43.86%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-101.6141156.9-75.3179165.100108.4V49 E50 R52 S57 L59 R60 G82 R83V49-E88 VanDerWaalsContact CA-O 3.31Å; V49-E88 WeakPolarHBondContact CA-O 3.49Å; E50-E88 PolarHBondContact N-O 3.02Å; E50-E88 PolarHBondContact O-N 2.92Å; R52-E88 HydrophobicContact CG-CG 3.8Å; S57-E88 WeakPolarHBondContact CB-OE2 3.44Å; S57-E88 PolarHBondContact OG-OE2 3.44Å; L59-E88 VanDerWaalsContact CD2-C 3.49Å; L59-E88 HydrophobicContact CD2-CB 3.99Å; L59-E88 WeakPolarHBondContact CD2-O 3.24Å; R60-E88 IonicContact CZ-OE1 2.72Å; R60-E88 IonicContact NE-OE1 3.53Å; R60-E88 PolarHBondContact NE-OE1 3.34Å; R60-E88 IonicContact NE-OE2 2.98Å; R60-E88 PolarHBondContact NE-OE2 3.21Å; R60-E88 IonicContact NH2-OE1 2.83Å; R60-E88 PolarHBondContact NH2-OE1 2.96Å; G82-E88 WeakPolarHBondContact O-CA 3.39Å; R83-E88 HydrophobicContact CG-CG 4.04Å; R83-E88 IonicContact NE-OE1 2.95Å
89F94.5Very high93.9Very high10 Ų1040.9 Ų40.94%0.04421%0.209CC..EExtended strand (participates in β ladder)trans-130.7150.2178.470.7-97.1000111.8I15 W19 M47 K48 V49 S81 G82 H84 V91I15-F89 HydrophobicContact CG2-CD1 3.84Å; I15-F89 HydrophobicContact CG2-CE1 4.2Å; I15-F89 HydrophobicContact CG2-CG 4.22Å; W19-F89 AromaticContact CD1-CE2 3.93Å; W19-F89 AromaticContact NE1-CE2 3.97Å; M47-F89 HydrophobicContact CG-CB 4.08Å; M47-F89 HydrophobicContact SD-CB 4.06Å; M47-F89 HydrophobicContact SD-CD2 4.45Å; M47-F89 HydrophobicContact SD-CG 4.38Å; K48-F89 CarbonylContact O-C 3.57Å; K48-F89 WeakPolarHBondContact O-CA 3.44Å; V49-F89 HydrophobicContact CG1-CB 3.91Å; S81-F89 CarbonylContact C-O 3.56Å; S81-F89 WeakPolarHBondContact CA-O 3.48Å; S81-F89 WeakPolarHBondContact CB-O 3.35Å; G82-F89 VanDerWaalsContact C-CD1 3.5Å; G82-F89 VanDerWaalsContact CA-CE1 3.49Å; G82-F89 PolarHBondContact N-O 3.41Å; G82-F89 WeakPolarHBondContact O-CD1 3.4Å; G82-F89 PolarHBondContact O-N 3.43Å; H84-F89 HydrophobicContact CB-CD1 4.34Å; H84-F89 HydrophobicContact CB-CE1 4.41Å; F89-V91 HydrophobicContact CD2-CG2 3.84Å; F89-V91 HydrophobicContact CE2-CG2 4.09Å
90L95.4Very high93.9Very high0 Ų042.2 Ų42.20%021%0.214CC..EExtended strand (participates in β ladder)trans-129.5124.5171.5166.963.1000107.7M47 K48 L59 E62 T63 L66 Y78 M92M47-L90 CarbonylContact C-O 3.48Å; M47-L90 VanDerWaalsContact CA-O 3.3Å; M47-L90 WeakPolarHBondContact CA-O 3.39Å; K48-L90 PolarHBondContact N-O 3.41Å; K48-L90 PolarHBondContact O-N 2.99Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.2Å; L59-L90 HydrophobicContact CD2-CB 4.42Å; L59-L90 HydrophobicContact CG-CB 4.07Å; E62-L90 HydrophobicContact CG-CD2 4.01Å; T63-L90 HydrophobicContact CG2-CD1 4.21Å; L66-L90 HydrophobicContact CD2-CD1 4.28Å; L66-L90 HydrophobicContact CD2-CD2 4.42Å; Y78-L90 HydrophobicContact CD2-CD1 3.63Å; Y78-L90 HydrophobicContact CE2-CD1 3.82Å; L90-M92 HydrophobicContact CD2-CE 3.69Å; L90-M92 HydrophobicContact CG-CE 4Å
91V97Very high93.8Very high0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-106.2130.5174.1-170.70000109.3W19 V36 Y45 A46 M47 V79 D80 F89W19-V91 HydrophobicContact CD2-CG1 4.19Å; W19-V91 HydrophobicContact CD2-CG2 3.88Å; W19-V91 HydrophobicContact CE3-CG1 4.02Å; W19-V91 HydrophobicContact CG-CG2 4.04Å; W19-V91 HydrophobicContact CH2-CG1 3.88Å; W19-V91 HydrophobicContact CZ2-CB 4.25Å; W19-V91 HydrophobicContact CZ2-CG1 4.03Å; W19-V91 HydrophobicContact CZ2-CG2 4.23Å; W19-V91 HydrophobicContact CZ3-CG1 3.84Å; V36-V91 HydrophobicContact CG2-CG1 4.22Å; Y45-V91 HydrophobicContact CG-CG1 4.14Å; A46-V91 WeakPolarHBondContact O-CA 3.4Å; M47-V91 HydrophobicContact CB-CG2 4.34Å; M47-V91 HydrophobicContact CG-CG2 4.15Å; V79-V91 HydrophobicContact CB-CB 4.33Å; V79-V91 HydrophobicContact CB-CG1 4.12Å; V79-V91 WeakPolarHBondContact CB-O 3.46Å; V79-V91 HydrophobicContact CG1-CG1 4.29Å; V79-V91 PolarHBondContact N-O 3.24Å; D80-V91 HydrophobicContact CB-CB 4.12Å; D80-V91 HydrophobicContact CB-CG2 4.3Å; D80-V91 PolarHBondContact N-O 3.45Å; D80-V91 PolarHBondContact O-N 3.17Å; F89-V91 HydrophobicContact CD2-CG2 3.84Å; F89-V91 HydrophobicContact CE2-CG2 4.09Å
92M96.5Very high93.8Very high19 Ų1942.9 Ų42.99%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-143.1167.8179.966.7-172.611000110.7Y45 A46 K48 L66 C76 R77 L90 K94Y45-M92 WeakPolarHBondContact CB-O 3.39Å; A46-M92 HydrophobicContact CB-CG 4.27Å; A46-M92 PolarHBondContact N-O 3.4Å; A46-M92 PolarHBondContact O-N 2.96Å; K48-M92 HydrophobicContact CB-CE 4.18Å; L66-M92 HydrophobicContact CD2-CB 3.82Å; L66-M92 HydrophobicContact CD2-SD 4.15Å; C76-M92 HydrophobicContact CB-CB 4.03Å; C76-M92 HydrophobicContact CB-CG 4.03Å; C76-M92 HydrophobicContact CB-SD 3.84Å; R77-M92 WeakPolarHBondContact O-CA 3.16Å; R77-M92 WeakPolarHBondContact O-CB 3.43Å; L90-M92 HydrophobicContact CD2-CE 3.69Å; L90-M92 HydrophobicContact CG-CE 4Å; M92-K94 PolarHBondContact O-N 3.09Å
93T95Very high93.9Very high27 Ų2742.5 Ų42.517%0.16620%0.202CC..EExtended strand (participates in β ladder)trans-54.9133.5172.947.40000111.2C76 R77C76-T93 WeakPolarHBondContact CA-OG1 3.32Å; C76-T93 WeakPolarHBondContact CB-OG1 3.43Å; R77-T93 HydrophobicContact CB-CG2 3.73Å; R77-T93 PolarHBondContact N-OG1 3.43Å; R77-T93 PolarHBondContact O-N 3.47Å; R77-T93 VanDerWaalsContact O-N 3.07Å
94K93.9Very high94Very high64 Ų6441.4 Ų41.428%0.27820%0.201SC..  trans-72.4138.1172.3178.8175.1178.5-80.40109.3L25 T44 A46 M92 E299L25-K94 HydrophobicContact CD1-CD 4.4Å; T44-K94 HydrophobicContact CG2-CD 4.33Å; A46-K94 HydrophobicContact CB-CB 4.32Å; M92-K94 PolarHBondContact O-N 3.09Å; K94-E299 IonicContact NZ-OE2 3.26Å; K94-E299 PolarHBondContact NZ-OE2 3.07Å
95T93.2Very high94Very high26 Ų2645.4 Ų45.416%0.1622%0.217CC..  trans-110.4172.2173.359.20000110.5C76 T146 Y158C76-T95 WeakPolarHBondContact SG-CG2 3.25Å; T95-T146 WeakPolarHBondContact CB-OG1 3.21Å; T95-T146 WeakPolarHBondContact OG1-CB 3.4Å; T95-T146 PolarHBondContact OG1-OG1 3.33Å; T95-Y158 HydrophobicContact CG2-CD1 4.21Å; T95-Y158 HydrophobicContact CG2-CD2 3.5Å; T95-Y158 VanDerWaalsContact CG2-CD2 3.5Å; T95-Y158 HydrophobicContact CG2-CE2 4.06Å; T95-Y158 HydrophobicContact CG2-CG 3.57Å
96G92.7Very high94.2Very high27 Ų2739.7 Ų39.728%0.27819%0.194SC..  trans-85.1-152.3176.600000112.9T146 I147G96-T146 WeakPolarHBondContact O-CG2 3.47Å; G96-I147 WeakPolarHBondContact CA-O 3.3Å; G96-I147 PolarHBondContact N-O 2.82Å
97R93.3Very high94.2Very high36 Ų3642.2 Ų42.214%0.13620%0.203CC..  trans-66.6150.5-177.4-64.9179179.1-80.7-5.1112.4E101 L102 K105 T146 I147 S298R97-E101 IonicContact NH1-OE2 3.74Å; R97-E101 PolarHBondContact NH1-OE2 3.36Å; R97-L102 HydrophobicContact CB-CD1 4.3Å; R97-L102 HydrophobicContact CB-CD2 3.97Å; R97-L102 HydrophobicContact CB-CG 3.91Å; R97-K105 VanDerWaalsContact NH1-NZ 3.11Å; R97-T146 WeakPolarHBondContact O-CA 3.31Å; R97-I147 PolarHBondContact O-N 3.49Å; R97-S298 PolarHBondContact NH2-OG 2.87Å
98D95.5Very high94.4Very high30 Ų3047.1 Ų47.116%0.1623%0.229CC..BIsolated β-bridgetrans-82159.217472.261.9000113.1H100 E101 L102 F145 T146D98-H100 PolarHBondContact O-N 3.36Å; D98-H100 VanDerWaalsContact OD1-CA 3.31Å; D98-H100 WeakPolarHBondContact OD1-CA 3.22Å; D98-H100 WeakPolarHBondContact OD1-CB 3.37Å; D98-H100 PolarHBondContact OD1-N 3.42Å; D98-E101 PolarHBondContact O-N 3.41Å; D98-E101 PolarHBondContact OD1-N 3.04Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 3.44Å; D98-F145 CarbonylContact C-O 3.57Å; D98-F145 VanDerWaalsContact CA-O 3.22Å; D98-F145 WeakPolarHBondContact CA-O 3.47Å; D98-F145 WeakPolarHBondContact CB-O 3.4Å; D98-T146 HydrophobicContact CB-CG2 3.77Å
99L97.2Very high94.5Very high0 Ų052.9 Ų52.90%025%0.254CS..Hα-helixtrans-63.8-24.4-177.8-64.7-179.6000113L102 R103 I119 P142 F145 I147 L216 L292L99-L102 HydrophobicContact CD2-CD1 4.43Å; L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 PolarHBondContact O-N 3.29Å; L99-I119 HydrophobicContact CD1-CD1 4.48Å; L99-I119 HydrophobicContact CD1-CG2 3.66Å; L99-I119 HydrophobicContact CD2-CD1 4.08Å; L99-I119 HydrophobicContact CD2-CG1 4.44Å; L99-P142 HydrophobicContact CB-CB 4.03Å; L99-P142 PolarHBondContact N-O 2.92Å; L99-F145 HydrophobicContact CD1-CB 3.6Å; L99-F145 HydrophobicContact CD1-CG 4.38Å; L99-F145 HydrophobicContact CG-CB 3.94Å; L99-F145 PolarHBondContact N-O 2.82Å; L99-I147 HydrophobicContact CD2-CD1 3.89Å; L99-I147 HydrophobicContact CD2-CG1 4.28Å; L99-L216 HydrophobicContact CB-CD1 4.38Å; L99-L216 HydrophobicContact CB-CD2 4.26Å; L99-L216 HydrophobicContact CD1-CD1 4.03Å; L99-L292 HydrophobicContact CD2-CD1 4.13Å
100H95.7Very high94.5Very high56 Ų5658 Ų5826%0.25927%0.273SS..Hα-helixtrans-70.7-46.5175.8177.772.5000111.1D98 K104 P142D98-H100 PolarHBondContact O-N 3.36Å; D98-H100 VanDerWaalsContact OD1-CA 3.31Å; D98-H100 WeakPolarHBondContact OD1-CA 3.22Å; D98-H100 WeakPolarHBondContact OD1-CB 3.37Å; D98-H100 PolarHBondContact OD1-N 3.42Å; H100-K104 VanDerWaalsContact NE2-CE 3.31Å; H100-K104 WeakPolarHBondContact NE2-CE 3.43Å; H100-K104 PolarHBondContact NE2-NZ 2.93Å; H100-K104 WeakPolarHBondContact O-CG 3.37Å; H100-K104 PolarHBondContact O-N 3.06Å; H100-K104 VanDerWaalsContact O-N 3.07Å; H100-P142 HydrophobicContact CB-CB 4.01Å
101E94.6Very high94.6Very high81 Ų8158.5 Ų58.538%0.37928%0.275SS..Hα-helixtrans-62.7-45.9175.2-72.5-160.3166.500112R97 D98 R103 K104 K105R97-E101 IonicContact NH1-OE2 3.74Å; R97-E101 PolarHBondContact NH1-OE2 3.36Å; D98-E101 PolarHBondContact O-N 3.41Å; D98-E101 PolarHBondContact OD1-N 3.04Å; E101-R103 PolarHBondContact O-N 2.82Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 2.84Å; E101-K105 PolarHBondContact O-N 3.38Å
102L95.5Very high94.5Very high10 Ų1063 Ų635%0.05230%0.299CS..Hα-helixtrans-61.2-45.3-179.8-69.9169.4000111.1R97 D98 L99 K104 K105 S106 F111 I147 L292 Y294R97-L102 HydrophobicContact CB-CD1 4.3Å; R97-L102 HydrophobicContact CB-CD2 3.97Å; R97-L102 HydrophobicContact CB-CG 3.91Å; D98-L102 WeakPolarHBondContact O-CG 3.34Å; D98-L102 PolarHBondContact O-N 3.44Å; L99-L102 HydrophobicContact CD2-CD1 4.43Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.1Å; L102-K105 PolarHBondContact O-N 3.34Å; L102-S106 PolarHBondContact O-N 2.84Å; L102-F111 HydrophobicContact CB-CZ 3.87Å; L102-I147 HydrophobicContact CD1-CB 4.26Å; L102-I147 HydrophobicContact CD1-CG1 3.37Å; L102-L292 HydrophobicContact CD1-CD1 4.06Å; L102-Y294 HydrophobicContact CD2-CD1 4.39Å; L102-Y294 HydrophobicContact CD2-CG 4.19Å
103R95.8Very high94.5Very high20 Ų2064 Ų648%0.07531%0.305CS..Hα-helixtrans-60.9-41.8175-178.1-170.869.997.2-19.4112.1L99 E101 K105 S106 K109 F111 E215 L216 G219L99-R103 VanDerWaalsContact O-CB 3.25Å; L99-R103 WeakPolarHBondContact O-CB 3.27Å; L99-R103 PolarHBondContact O-N 3.29Å; E101-R103 PolarHBondContact O-N 2.82Å; R103-K105 PolarHBondContact O-N 3.3Å; R103-S106 PolarHBondContact O-N 3.46Å; R103-S106 VanDerWaalsContact O-N 3.17Å; R103-S106 PolarHBondContact O-OG 2.84Å; R103-K109 WeakPolarHBondContact CD-O 3.26Å; R103-K109 WeakPolarHBondContact CG-O 3.35Å; R103-K109 PolarHBondContact NH1-O 2.91Å; R103-K109 CarbonylContact O-C 3.34Å; R103-K109 VanDerWaalsContact O-CA 3.26Å; R103-K109 WeakPolarHBondContact O-CA 3.36Å; R103-F111 HydrophobicContact CB-CE1 4.43Å; R103-F111 HydrophobicContact CB-CE2 3.97Å; R103-F111 HydrophobicContact CB-CZ 3.86Å; R103-F111 VanDerWaalsContact N-CZ 3.33Å; R103-E215 IonicContact NH2-OE2 2.82Å; R103-L216 HydrophobicContact CB-CD2 3.92Å; R103-L216 HydrophobicContact CG-CD2 4.25Å; R103-G219 PolarHBondContact NH1-O 3.36Å
104K94.6Very high94.6Very high118 Ų11863.1 Ų63.151%0.51330%0.3SS..Hα-helixtrans-61-29.4179.5-83.5-179.8168.6-176.90113H100 E101 L102H100-K104 VanDerWaalsContact NE2-CE 3.31Å; H100-K104 WeakPolarHBondContact NE2-CE 3.43Å; H100-K104 PolarHBondContact NE2-NZ 2.93Å; H100-K104 WeakPolarHBondContact O-CG 3.37Å; H100-K104 PolarHBondContact O-N 3.06Å; H100-K104 VanDerWaalsContact O-N 3.07Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 2.84Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.1Å
105K93.5Very high94.7Very high133 Ų13360.8 Ų60.858%0.57829%0.292SS*.Hα-helixtrans-88.8-16.5178.7-67.7-177174.4-166.60113.4R97 E101 L102 R103R97-K105 VanDerWaalsContact NH1-NZ 3.11Å; E101-K105 PolarHBondContact O-N 3.38Å; L102-K105 PolarHBondContact O-N 3.34Å; R103-K105 PolarHBondContact O-N 3.3Å
106S92.7Very high95Very high30 Ų3059.7 Ų59.721%0.2129%0.285CS..SBendtrans-71.5160.1179.577.10000112.3L102 R103 N108 K109 R110L102-S106 PolarHBondContact O-N 2.84Å; R103-S106 PolarHBondContact O-N 3.46Å; R103-S106 VanDerWaalsContact O-N 3.17Å; R103-S106 PolarHBondContact O-OG 2.84Å; S106-N108 PolarHBondContact O-N 3.13Å; S106-K109 PolarHBondContact O-N 2.93Å; S106-R110 VanDerWaalsContact OG-C 3.3Å; S106-R110 PolarHBondContact OG-N 3.18Å; S106-R110 VanDerWaalsContact OG-N 3.11Å; S106-R110 PolarHBondContact OG-O 2.83Å
107K90Very high95.2Very high178 Ų17858.4 Ų58.477%0.77427%0.272SS*.G310 helixtrans-54.6131.2174-172.7176.4-179.3177.70110.2K109 R110K107-K109 PolarHBondContact O-N 3.37Å; K107-K109 VanDerWaalsContact O-N 3.08Å; K107-R110 PolarHBondContact O-N 2.91Å
108N92.5Very high95.4Very high112 Ų11257.3 Ų57.360%0.59927%0.268SS*.G310 helixtrans57.617-178-55.6-32.2000114.9S106 R110S106-N108 PolarHBondContact O-N 3.13Å; N108-R110 HydrophobicContact CB-CG 4.1Å; N108-R110 PolarHBondContact O-N 2.7Å
109K94.9Very high95.6Very high133 Ų13355.9 Ų55.958%0.57826%0.26SS*.G310 helixtrans5635.5-178.5-53.5-179.9-174.5175.20113.8R103 S106 K107R103-K109 WeakPolarHBondContact CD-O 3.26Å; R103-K109 WeakPolarHBondContact CG-O 3.35Å; R103-K109 PolarHBondContact NH1-O 2.91Å; R103-K109 CarbonylContact O-C 3.34Å; R103-K109 VanDerWaalsContact O-CA 3.26Å; R103-K109 WeakPolarHBondContact O-CA 3.36Å; S106-K109 PolarHBondContact O-N 2.93Å; K107-K109 PolarHBondContact O-N 3.37Å; K107-K109 VanDerWaalsContact O-N 3.08Å
110R95.7Very high95.6Very high117 Ų11755.9 Ų55.944%0.44226%0.26SS..  trans-147160.5179.467.9-176.2-169.7-177.54.4111.6S106 K107 N108 L216 Y217S106-R110 VanDerWaalsContact OG-C 3.3Å; S106-R110 PolarHBondContact OG-N 3.18Å; S106-R110 VanDerWaalsContact OG-N 3.11Å; S106-R110 PolarHBondContact OG-O 2.83Å; K107-R110 PolarHBondContact O-N 2.91Å; N108-R110 HydrophobicContact CB-CG 4.1Å; N108-R110 PolarHBondContact O-N 2.7Å; R110-L216 CarbonylContact C-O 3.56Å; R110-L216 WeakPolarHBondContact CA-O 3.5Å; R110-Y217 WeakPolarHBondContact CB-O 3.46Å; R110-Y217 WeakPolarHBondContact CD-O 3.14Å
111F96.4Very high95.7Very high12 Ų1254 Ų545%0.05325%0.252CS..  trans-100.3157.2170-61-44.8000111.1L102 R103 T115 I116 I119 L216 Y217 L292L102-F111 HydrophobicContact CB-CZ 3.87Å; R103-F111 HydrophobicContact CB-CE1 4.43Å; R103-F111 HydrophobicContact CB-CE2 3.97Å; R103-F111 HydrophobicContact CB-CZ 3.86Å; R103-F111 VanDerWaalsContact N-CZ 3.33Å; F111-T115 HydrophobicContact CB-CG2 3.67Å; F111-T115 HydrophobicContact CD1-CG2 4.18Å; F111-T115 HydrophobicContact CD2-CG2 4.08Å; F111-T115 HydrophobicContact CG-CG2 3.74Å; F111-I116 HydrophobicContact CB-CD1 4Å; F111-I116 HydrophobicContact CB-CG1 4.13Å; F111-I116 HydrophobicContact CD2-CD1 4.28Å; F111-I119 HydrophobicContact CD2-CD1 3.73Å; F111-I119 HydrophobicContact CE2-CD1 3.9Å; F111-L216 HydrophobicContact CD2-CB 4.11Å; F111-L216 HydrophobicContact CD2-CD2 4.25Å; F111-L216 HydrophobicContact CE2-CD2 3.93Å; F111-L216 PolarHBondContact N-O 3.44Å; F111-Y217 WeakPolarHBondContact O-CD2 3.48Å; F111-L292 HydrophobicContact CD1-CD2 3.78Å; F111-L292 HydrophobicContact CE1-CD2 3.47Å; F111-L292 VanDerWaalsContact CE1-CD2 3.47Å; F111-L292 HydrophobicContact CE2-CD2 4.41Å; F111-L292 HydrophobicContact CG-CD2 4.39Å; F111-L292 HydrophobicContact CZ-CD1 4.4Å; F111-L292 HydrophobicContact CZ-CD2 3.81Å
112D95.5Very high95.9Very high94 Ų9450.6 Ų50.650%0.50324%0.236SC..  trans-73.2166.2170.26788.1000111.5G114 T115 I116D112-G114 VanDerWaalsContact C-N 3.31Å; D112-G114 PolarHBondContact O-N 3.45Å; D112-G114 VanDerWaalsContact OD1-CA 3.32Å; D112-G114 WeakPolarHBondContact OD1-CA 3.49Å; D112-G114 PolarHBondContact OD1-N 3Å; D112-T115 PolarHBondContact O-N 3.09Å; D112-T115 PolarHBondContact OD1-N 3.25Å; D112-T115 WeakPolarHBondContact OD2-CB 3.45Å; D112-T115 PolarHBondContact OD2-OG1 3.32Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.34Å; D112-I116 PolarHBondContact O-N 3.09Å
113I96.4Very high96.1Very high41 Ų4150.1 Ų50.121%0.2123%0.234CC..Hα-helixtrans-63.9-34.2-176.2-172.257.4000112.9I116 L117 Y217 M248 P249 L284I113-I116 HydrophobicContact CD1-CB 4.49Å; I113-I116 PolarHBondContact O-N 2.72Å; I113-L117 HydrophobicContact CD1-CG 4.36Å; I113-L117 HydrophobicContact CG1-CD1 4.13Å; I113-L117 HydrophobicContact CG1-CG 4.36Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.25Å; I113-L117 PolarHBondContact O-N 2.89Å; I113-Y217 HydrophobicContact CB-CE2 3.84Å; I113-Y217 HydrophobicContact CD1-CE2 4.26Å; I113-M248 HydrophobicContact CD1-CG 4.14Å; I113-P249 HydrophobicContact CD1-CG 4.39Å; I113-P249 HydrophobicContact CG1-CG 4.29Å; I113-L284 HydrophobicContact CG1-CD1 4.29Å; I113-L284 HydrophobicContact CG2-CD1 4.36Å
114G96.9Very high96.2Very high7 Ų749.2 Ų49.27%0.07223%0.23CC..Hα-helixtrans-65.5-46.1179.200000111.7D112 I116 L117 Q118 V286D112-G114 VanDerWaalsContact C-N 3.31Å; D112-G114 PolarHBondContact O-N 3.45Å; D112-G114 VanDerWaalsContact OD1-CA 3.32Å; D112-G114 WeakPolarHBondContact OD1-CA 3.49Å; D112-G114 PolarHBondContact OD1-N 3Å; G114-I116 VanDerWaalsContact C-N 3.32Å; G114-I116 PolarHBondContact O-N 3.27Å; G114-L117 PolarHBondContact O-N 3.48Å; G114-Q118 PolarHBondContact O-N 3.48Å; G114-Q118 VanDerWaalsContact O-N 3.1Å; G114-V286 VanDerWaalsContact CA-CG1 3.46Å
115T96.8Very high96.4Very high15 Ų1546 Ų469%0.09222%0.217CC..Hα-helixtrans-57.1-44.7171.5-65.50000111.5F111 D112 L117 Q118 I119 L290 L292F111-T115 HydrophobicContact CB-CG2 3.67Å; F111-T115 HydrophobicContact CD1-CG2 4.18Å; F111-T115 HydrophobicContact CD2-CG2 4.08Å; F111-T115 HydrophobicContact CG-CG2 3.74Å; D112-T115 PolarHBondContact O-N 3.09Å; D112-T115 PolarHBondContact OD1-N 3.25Å; D112-T115 WeakPolarHBondContact OD2-CB 3.45Å; D112-T115 PolarHBondContact OD2-OG1 3.32Å; T115-L117 PolarHBondContact O-N 2.82Å; T115-Q118 PolarHBondContact O-N 3.41Å; T115-I119 HydrophobicContact CG2-CD1 3.76Å; T115-I119 HydrophobicContact CG2-CG1 4.37Å; T115-I119 VanDerWaalsContact O-CG1 3.25Å; T115-I119 WeakPolarHBondContact O-CG1 3.41Å; T115-I119 PolarHBondContact O-N 2.84Å; T115-L290 HydrophobicContact CG2-CD1 4.01Å; T115-L292 HydrophobicContact CG2-CD2 3.51Å; T115-L292 HydrophobicContact CG2-CG 4.21Å
116I97.9Very high96.6Very high3 Ų339.6 Ų39.62%0.01519%0.189CC..Hα-helixtrans-63.7-39.2179.6-66.4-69.4000112.4F111 D112 I113 G114 I119 G120 L213 L216 Y217 M248F111-I116 HydrophobicContact CB-CD1 4Å; F111-I116 HydrophobicContact CB-CG1 4.13Å; F111-I116 HydrophobicContact CD2-CD1 4.28Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.34Å; D112-I116 PolarHBondContact O-N 3.09Å; I113-I116 HydrophobicContact CD1-CB 4.49Å; I113-I116 PolarHBondContact O-N 2.72Å; G114-I116 VanDerWaalsContact C-N 3.32Å; G114-I116 PolarHBondContact O-N 3.27Å; I116-I119 PolarHBondContact O-N 3.47Å; I116-G120 PolarHBondContact O-N 3.4Å; I116-L213 HydrophobicContact CG2-CB 4.22Å; I116-L213 HydrophobicContact CG2-CD2 4.3Å; I116-L216 HydrophobicContact CD1-CB 3.38Å; I116-Y217 HydrophobicContact CG1-CD2 3.89Å; I116-Y217 HydrophobicContact CG1-CG 4.25Å; I116-M248 HydrophobicContact CG2-CE 3.75Å
117L98.1Very high96.9Very high1 Ų138.2 Ų38.21%0.00518%0.179CC..Hα-helixtrans-64.6-44.7177-69.5165.9000111I113 G114 T115 G120 I121 I252 F277 V280 A281 L284 V286I113-L117 HydrophobicContact CD1-CG 4.36Å; I113-L117 HydrophobicContact CG1-CD1 4.13Å; I113-L117 HydrophobicContact CG1-CG 4.36Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.25Å; I113-L117 PolarHBondContact O-N 2.89Å; G114-L117 PolarHBondContact O-N 3.48Å; T115-L117 PolarHBondContact O-N 2.82Å; L117-G120 PolarHBondContact O-N 3.14Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 2.99Å; L117-I252 HydrophobicContact CD2-CD1 3.87Å; L117-I252 HydrophobicContact CD2-CG1 3.97Å; L117-F277 HydrophobicContact CD2-CD1 3.8Å; L117-F277 HydrophobicContact CD2-CE1 4.25Å; L117-V280 HydrophobicContact CD1-CG1 3.86Å; L117-V280 HydrophobicContact CD2-CB 4.25Å; L117-V280 HydrophobicContact CD2-CG1 3.83Å; L117-A281 HydrophobicContact CB-CB 4.25Å; L117-A281 HydrophobicContact CD1-CB 4.21Å; L117-L284 HydrophobicContact CD1-CD1 3.99Å; L117-V286 HydrophobicContact CD1-CG2 4.37Å
118Q97.8Very high97.3Very high12 Ų1232.8 Ų32.86%0.05615%0.154CC..Hα-helixtrans-64.7-40.3176.5-68.8-59.6-3800112.6G114 T115 Q122 V286 P287 L290G114-Q118 PolarHBondContact O-N 3.48Å; G114-Q118 VanDerWaalsContact O-N 3.1Å; T115-Q118 PolarHBondContact O-N 3.41Å; Q118-Q122 PolarHBondContact O-N 3.33Å; Q118-V286 HydrophobicContact CG-CG1 4.19Å; Q118-P287 PolarHBondContact NE2-O 3.35Å; Q118-L290 HydrophobicContact CB-CB 4.1Å; Q118-L290 HydrophobicContact CB-CD1 3.9Å
119I98.3Very high97.5Very high0 Ų028.7 Ų28.70%013%0.132CC..Hα-helixtrans-61.1-46.9172.4-68.8170.5000110.1L99 F111 T115 I116 I121 Q122 C123 I157 L213 L216 L290L99-I119 HydrophobicContact CD1-CD1 4.48Å; L99-I119 HydrophobicContact CD1-CG2 3.66Å; L99-I119 HydrophobicContact CD2-CD1 4.08Å; L99-I119 HydrophobicContact CD2-CG1 4.44Å; F111-I119 HydrophobicContact CD2-CD1 3.73Å; F111-I119 HydrophobicContact CE2-CD1 3.9Å; T115-I119 HydrophobicContact CG2-CD1 3.76Å; T115-I119 HydrophobicContact CG2-CG1 4.37Å; T115-I119 VanDerWaalsContact O-CG1 3.25Å; T115-I119 WeakPolarHBondContact O-CG1 3.41Å; T115-I119 PolarHBondContact O-N 2.84Å; I116-I119 PolarHBondContact O-N 3.47Å; I119-I121 PolarHBondContact O-N 3Å; I119-Q122 PolarHBondContact O-N 2.78Å; I119-C123 WeakPolarHBondContact O-CB 3.25Å; I119-C123 PolarHBondContact O-N 3Å; I119-C123 PolarHBondContact O-SG 3.4Å; I119-C123 VanDerWaalsContact O-SG 3.34Å; I119-I157 HydrophobicContact CB-CD1 4.1Å; I119-I157 HydrophobicContact CG1-CD1 4.02Å; I119-I157 HydrophobicContact CG2-CD1 3.98Å; I119-L213 HydrophobicContact CB-CD2 4.36Å; I119-L213 HydrophobicContact CG2-CD2 3.78Å; I119-L216 HydrophobicContact CD1-CD1 4.24Å; I119-L216 HydrophobicContact CG2-CD1 4.18Å; I119-L290 HydrophobicContact CG1-CD1 3.9Å; I119-L290 HydrophobicContact CG1-CD2 4.27Å
120G98.5Very high97.6Very high0 Ų022.4 Ų22.40%011%0.105CC..Hα-helixtrans-56.9-47.3-179.700000112.7I116 L117 C123 V124I116-G120 PolarHBondContact O-N 3.4Å; L117-G120 PolarHBondContact O-N 3.14Å; G120-C123 PolarHBondContact O-N 3.31Å; G120-V124 VanDerWaalsContact O-CG2 3.24Å; G120-V124 WeakPolarHBondContact O-CG2 3.18Å; G120-V124 PolarHBondContact O-N 3.22Å
121I98.4Very high97.5Very high17 Ų1716.9 Ų16.99%0.0878%0.084CC..Hα-helixtrans-54.1-58.3177-69166.5000110.4L117 I119 C123 V124 E125 I274 F277L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 2.99Å; I119-I121 PolarHBondContact O-N 3Å; I121-C123 VanDerWaalsContact C-N 3.34Å; I121-C123 PolarHBondContact O-N 3.13Å; I121-V124 PolarHBondContact O-N 2.78Å; I121-E125 WeakPolarHBondContact O-CG 3.48Å; I121-E125 PolarHBondContact O-N 3.31Å; I121-I274 HydrophobicContact CG2-CG2 4.31Å; I121-F277 HydrophobicContact CD1-CB 4.29Å; I121-F277 HydrophobicContact CG1-CB 3.57Å; I121-F277 HydrophobicContact CG1-CG 4.41Å
122Q98.5Very high97.4Very high10 Ų1021 Ų215%0.04711%0.107CC..Hα-helixtrans-65.5-36-175.1-62.9-166.648.800112.7Q118 I119 E125 A126 Q155 I156 I157Q118-Q122 PolarHBondContact O-N 3.33Å; I119-Q122 PolarHBondContact O-N 2.78Å; Q122-E125 WeakPolarHBondContact CA-OE2 3.34Å; Q122-E125 PolarHBondContact O-N 3.47Å; Q122-A126 WeakPolarHBondContact O-CB 3.34Å; Q122-A126 PolarHBondContact O-N 2.83Å; Q122-Q155 PolarHBondContact NE2-O 3.39Å; Q122-I156 VanDerWaalsContact OE1-CA 3.25Å; Q122-I157 HydrophobicContact CB-CB 4.07Å; Q122-I157 HydrophobicContact CB-CD1 3.97Å; Q122-I157 HydrophobicContact CB-CG1 4.45Å
123C98.7Very high97.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-67.8-37.1175.8-74.10000112.5I119 G120 I121 A126 L127 F145 L209I119-C123 WeakPolarHBondContact O-CB 3.25Å; I119-C123 PolarHBondContact O-N 3Å; I119-C123 PolarHBondContact O-SG 3.4Å; I119-C123 VanDerWaalsContact O-SG 3.34Å; G120-C123 PolarHBondContact O-N 3.31Å; I121-C123 VanDerWaalsContact C-N 3.34Å; I121-C123 PolarHBondContact O-N 3.13Å; C123-A126 PolarHBondContact O-N 3.3Å; C123-L127 WeakPolarHBondContact O-CG 3.35Å; C123-L127 PolarHBondContact O-N 3.41Å; C123-F145 HydrophobicContact CB-CE1 4.22Å; C123-F145 HydrophobicContact CB-CZ 4.3Å; C123-L209 HydrophobicContact CB-CD1 3.48Å; C123-L209 VanDerWaalsContact CB-CD1 3.48Å; C123-L209 HydrophobicContact CB-CD2 3.77Å; C123-L209 HydrophobicContact CB-CG 4.29Å
124V98.7Very high97.1Very high0 Ų016.2 Ų16.20%08%0.081CC..Hα-helixtrans-69.3-38.3175.51780000110.5G120 I121 L127 R128 L206 L209 H270 I273 I274G120-V124 VanDerWaalsContact O-CG2 3.24Å; G120-V124 WeakPolarHBondContact O-CG2 3.18Å; G120-V124 PolarHBondContact O-N 3.22Å; I121-V124 PolarHBondContact O-N 2.78Å; V124-L127 PolarHBondContact O-N 3.37Å; V124-R128 VanDerWaalsContact O-CB 3.28Å; V124-R128 WeakPolarHBondContact O-CB 3.47Å; V124-R128 PolarHBondContact O-N 3.32Å; V124-L206 HydrophobicContact CG1-CD2 4.48Å; V124-L206 HydrophobicContact CG2-CD2 4.26Å; V124-L209 HydrophobicContact CG2-CD2 3.59Å; V124-H270 HydrophobicContact CG1-CB 4.17Å; V124-I273 HydrophobicContact CG1-CB 4.21Å; V124-I273 HydrophobicContact CG1-CG2 4.03Å; V124-I273 HydrophobicContact CG2-CG2 3.83Å; V124-I274 HydrophobicContact CB-CG1 3.95Å; V124-I274 HydrophobicContact CG1-CD1 4.05Å; V124-I274 HydrophobicContact CG1-CG1 3.62Å
125E98.5Very high96.9Very high50 Ų5016.1 Ų16.123%0.2348%0.079CC..Hα-helixtrans-59.2-47.6171.7-70.2173.5142.700111.5H74 I121 Q122 L127 R128 D129 I274H74-E125 IonicContact CE1-OE2 2.67Å; H74-E125 IonicContact NE2-OE2 2.86Å; H74-E125 PolarHBondContact NE2-OE2 3.21Å; I121-E125 WeakPolarHBondContact O-CG 3.48Å; I121-E125 PolarHBondContact O-N 3.31Å; Q122-E125 WeakPolarHBondContact CA-OE2 3.34Å; Q122-E125 PolarHBondContact O-N 3.47Å; E125-L127 PolarHBondContact O-N 3.47Å; E125-R128 WeakPolarHBondContact O-CB 3.08Å; E125-R128 PolarHBondContact O-N 3.2Å; E125-D129 VanDerWaalsContact O-CG 3.27Å; E125-D129 PolarHBondContact O-N 3.34Å; E125-I274 HydrophobicContact CG-CD1 3.58Å; E125-I274 HydrophobicContact CG-CG1 4.2Å
126A98.5Very high96.8Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-58.7-46.7176.700000112.4H74 Q122 C123 D129 L130 M159H74-A126 HydrophobicContact CB-CB 3.4Å; H74-A126 VanDerWaalsContact CB-CB 3.4Å; Q122-A126 WeakPolarHBondContact O-CB 3.34Å; Q122-A126 PolarHBondContact O-N 2.83Å; C123-A126 PolarHBondContact O-N 3.3Å; A126-D129 PolarHBondContact O-N 3.31Å; A126-L130 PolarHBondContact O-N 3.07Å; A126-M159 HydrophobicContact CB-CB 4.14Å; A126-M159 HydrophobicContact CB-CE 4Å; A126-M159 WeakPolarHBondContact O-CE 3.19Å
127L98.4Very high96.6Very high0 Ų015.4 Ų15.40%07%0.074CC..Hα-helixtrans-66.6-40.3178.1-73.8176.2000112C123 V124 E125 D129 L130 H131 H137 V140 M159 D205 L206 L209C123-L127 WeakPolarHBondContact O-CG 3.35Å; C123-L127 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 3.37Å; E125-L127 PolarHBondContact O-N 3.47Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 3.42Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-H131 VanDerWaalsContact O-CB 3.28Å; L127-H131 WeakPolarHBondContact O-CB 3.32Å; L127-H131 PolarHBondContact O-CD2 3.02Å; L127-H131 PolarHBondContact O-N 2.81Å; L127-H131 PolarHBondContact O-ND1 3.32Å; L127-H137 HydrophobicContact CD2-CB 4.36Å; L127-V140 HydrophobicContact CD2-CG2 3.87Å; L127-M159 HydrophobicContact CD2-SD 3.94Å; L127-D205 HydrophobicContact CD1-CB 4.35Å; L127-D205 HydrophobicContact CD2-CB 4.09Å; L127-L206 HydrophobicContact CD1-CD2 3.85Å; L127-L206 HydrophobicContact CD1-CG 4.45Å; L127-L209 HydrophobicContact CD1-CB 4.17Å; L127-L209 HydrophobicContact CD1-CD2 3.97Å
128R97.3Very high96.5Very high65 Ų6516.8 Ų16.825%0.2458%0.08CC..Hα-helixtrans-55.3-48.2174.2179.7-162.967.1-156.3-7110.6V124 E125 L130 H131 N132 H270V124-R128 VanDerWaalsContact O-CB 3.28Å; V124-R128 WeakPolarHBondContact O-CB 3.47Å; V124-R128 PolarHBondContact O-N 3.32Å; E125-R128 WeakPolarHBondContact O-CB 3.08Å; E125-R128 PolarHBondContact O-N 3.2Å; R128-L130 PolarHBondContact O-N 2.87Å; R128-H131 PolarHBondContact O-N 3.4Å; R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 PolarHBondContact O-N 2.87Å; R128-N132 PolarHBondContact O-ND2 3Å; R128-N132 PolarHBondContact O-OD1 3.04Å; R128-H270 HydrophobicContact CB-CB 3.72Å; R128-H270 HydrophobicContact CG-CB 3.71Å
129D97.2Very high96.4Very high26 Ų2616.7 Ų16.714%0.1398%0.079CC..Hα-helixtrans-63-41.6-178.1-65.4-4.8000111.7L69 S72 E125 A126 L127 N132 I133L69-D129 HydrophobicContact CD2-CB 4.24Å; S72-D129 WeakPolarHBondContact CB-OD2 3.34Å; S72-D129 PolarHBondContact OG-OD2 3.33Å; E125-D129 VanDerWaalsContact O-CG 3.27Å; E125-D129 PolarHBondContact O-N 3.34Å; A126-D129 PolarHBondContact O-N 3.31Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 3.42Å; D129-N132 PolarHBondContact O-N 3.06Å; D129-I133 PolarHBondContact O-N 3.48Å
130L96.6Very high96.4Very high0 Ų016.8 Ų16.80%08%0.08CC..Hα-helixtrans-64.3-43.8173.4-179.270.6000112.6I65 L69 A126 L127 R128 N132 I133 F135 H137 M159 F162I65-L130 HydrophobicContact CG2-CD1 3.72Å; L69-L130 HydrophobicContact CD1-CD1 4.17Å; A126-L130 PolarHBondContact O-N 3.07Å; L127-L130 PolarHBondContact O-N 3.44Å; R128-L130 PolarHBondContact O-N 2.87Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.39Å; L130-I133 HydrophobicContact CD1-CD1 4.29Å; L130-I133 WeakPolarHBondContact O-CG1 3.44Å; L130-I133 PolarHBondContact O-N 2.86Å; L130-F135 CarbonylContact C-O 3.59Å; L130-F135 HydrophobicContact CD1-CB 3.72Å; L130-F135 HydrophobicContact CG-CB 4.04Å; L130-F135 PolarHBondContact O-N 3.47Å; L130-H137 HydrophobicContact CD2-CB 3.64Å; L130-M159 HydrophobicContact CB-CE 3.81Å; L130-M159 HydrophobicContact CD2-CE 4.09Å; L130-M159 HydrophobicContact CD2-SD 4.26Å; L130-M159 HydrophobicContact CG-CE 4.47Å; L130-F162 HydrophobicContact CD1-CD1 4.07Å; L130-F162 HydrophobicContact CD1-CE1 4.12Å; L130-F162 HydrophobicContact CD2-CD1 4.5Å; L130-F162 HydrophobicContact CD2-CE1 4.46Å
131H95Very high96.3Very high1 Ų118.3 Ų18.31%0.0059%0.087CC..Hα-helixtrans-64.5-38179.1-69.6171.8000111.7L127 R128 I133 G134 F135 Y168 M202 D205 H270L127-H131 VanDerWaalsContact O-CB 3.28Å; L127-H131 WeakPolarHBondContact O-CB 3.32Å; L127-H131 PolarHBondContact O-CD2 3.02Å; L127-H131 PolarHBondContact O-N 2.81Å; L127-H131 PolarHBondContact O-ND1 3.32Å; R128-H131 PolarHBondContact O-N 3.4Å; H131-I133 VanDerWaalsContact C-N 3.3Å; H131-I133 PolarHBondContact O-N 3.39Å; H131-G134 PolarHBondContact O-N 3.37Å; H131-F135 WeakPolarHBondContact CA-O 3.17Å; H131-F135 PolarHBondContact CD2-O 2.9Å; H131-Y168 PolarHBondContact O-OH 3.36Å; H131-M202 HydrophobicContact CB-CG 4.05Å; H131-M202 HydrophobicContact CB-SD 3.71Å; H131-M202 PolarHBondContact CE1-O 2.94Å; H131-D205 IonicContact NE2-OD2 2.95Å; H131-D205 PolarHBondContact NE2-OD2 3.19Å; H131-H270 AromaticContact CE1-NE2 3.59Å; H131-H270 AromaticContact CG-NE2 3.88Å; H131-H270 AromaticContact ND1-CE1 3.28Å; H131-H270 PolarHBondContact ND1-CE1 2.84Å; H131-H270 VanDerWaalsContact ND1-CE1 3.28Å; H131-H270 AromaticContact ND1-NE2 2.82Å; H131-H270 PolarHBondContact ND1-NE2 2.79Å
132N93.6Very high96.3Very high99 Ų9917.5 Ų17.553%0.5298%0.083SC..Hα-helixtrans-63.4-32.8177.6-75.9-14000112.8R128 D129 L130 G134R128-N132 WeakPolarHBondContact O-CB 3.46Å; R128-N132 PolarHBondContact O-N 2.87Å; R128-N132 PolarHBondContact O-ND2 3Å; R128-N132 PolarHBondContact O-OD1 3.04Å; D129-N132 PolarHBondContact O-N 3.06Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.39Å; N132-G134 PolarHBondContact O-N 3.07Å
133I93.4Very high96.2Very high34 Ų3419.1 Ų19.117%0.17410%0.095CC..THydrogen-bonded Turntrans-83.76.5174.266.2159.8000113.5I65 K68 L69 D129 L130 H131 F135I65-I133 HydrophobicContact CG2-CD1 4.09Å; K68-I133 HydrophobicContact CB-CB 4.42Å; K68-I133 HydrophobicContact CB-CD1 3.66Å; K68-I133 HydrophobicContact CB-CG2 4.39Å; L69-I133 HydrophobicContact CD1-CD1 4.43Å; L69-I133 HydrophobicContact CD2-CD1 3.66Å; L69-I133 HydrophobicContact CD2-CG1 4.1Å; L69-I133 HydrophobicContact CD2-CG2 4.44Å; L69-I133 HydrophobicContact CG-CD1 3.68Å; D129-I133 PolarHBondContact O-N 3.48Å; L130-I133 HydrophobicContact CD1-CD1 4.29Å; L130-I133 WeakPolarHBondContact O-CG1 3.44Å; L130-I133 PolarHBondContact O-N 2.86Å; H131-I133 VanDerWaalsContact C-N 3.3Å; H131-I133 PolarHBondContact O-N 3.39Å; I133-F135 HydrophobicContact CD1-CD2 4.14Å; I133-F135 HydrophobicContact CG1-CD2 4.12Å; I133-F135 WeakPolarHBondContact O-CD2 3.36Å
134G91.6Very high96.1Very high0 Ų019.7 Ų19.70%010%0.098CC..THydrogen-bonded Turntrans89.516.2171.700000115.4H131 N132 Q167 Y168H131-G134 PolarHBondContact O-N 3.37Å; N132-G134 PolarHBondContact O-N 3.07Å; G134-Q167 CarbonylContact O-C 3.56Å; G134-Q167 WeakPolarHBondContact O-CA 3.39Å; G134-Y168 VanDerWaalsContact C-CD1 3.42Å; G134-Y168 WeakPolarHBondContact O-CD1 3.48Å; G134-Y168 PolarHBondContact O-N 2.79Å
135F93.3Very high96.1Very high5 Ų519.7 Ų19.72%0.02210%0.098CC..EExtended strand (participates in β ladder)trans-115.4148.3179.6-72.6-94.6000112.2Y64 I65 L130 H131 I133 A165 F166 Q167Y64-F135 HydrophobicContact CD1-CE2 4.37Å; Y64-F135 HydrophobicContact CD1-CZ 4.01Å; Y64-F135 AromaticContact CE1-CE2 3.82Å; Y64-F135 HydrophobicContact CE1-CE2 3.82Å; Y64-F135 AromaticContact CE1-CZ 3.71Å; Y64-F135 HydrophobicContact CE1-CZ 3.71Å; I65-F135 HydrophobicContact CD1-CD1 3.56Å; I65-F135 HydrophobicContact CD1-CE1 3.73Å; I65-F135 HydrophobicContact CD1-CG 4.05Å; I65-F135 HydrophobicContact CD1-CZ 4.37Å; I65-F135 HydrophobicContact CG1-CD1 3.96Å; I65-F135 HydrophobicContact CG1-CD2 4.23Å; I65-F135 HydrophobicContact CG1-CE1 3.88Å; I65-F135 HydrophobicContact CG1-CE2 4.17Å; I65-F135 HydrophobicContact CG1-CG 4.14Å; I65-F135 HydrophobicContact CG1-CZ 4Å; L130-F135 CarbonylContact C-O 3.59Å; L130-F135 HydrophobicContact CD1-CB 3.72Å; L130-F135 HydrophobicContact CG-CB 4.04Å; L130-F135 PolarHBondContact O-N 3.47Å; H131-F135 WeakPolarHBondContact CA-O 3.17Å; H131-F135 PolarHBondContact CD2-O 2.9Å; I133-F135 HydrophobicContact CD1-CD2 4.14Å; I133-F135 HydrophobicContact CG1-CD2 4.12Å; I133-F135 WeakPolarHBondContact O-CD2 3.36Å; F135-A165 HydrophobicContact CD1-CB 4.25Å; F135-F166 CarbonylContact C-O 3.53Å; F135-F166 VanDerWaalsContact CA-O 3.32Å; F135-F166 WeakPolarHBondContact CA-O 3.41Å; F135-Q167 HydrophobicContact CD1-CB 4.01Å; F135-Q167 HydrophobicContact CE1-CB 3.57Å; F135-Q167 HydrophobicContact CE1-CG 4.15Å; F135-Q167 HydrophobicContact CE2-CB 4.49Å; F135-Q167 HydrophobicContact CE2-CG 4.19Å; F135-Q167 HydrophobicContact CZ-CB 3.84Å; F135-Q167 HydrophobicContact CZ-CG 3.91Å
136I93.9Very high96Very high2 Ų217.7 Ų17.71%0.019%0.089CC..EExtended strand (participates in β ladder)trans-108.1145.2161.453.7170.8000108.6R138 A165 F166 Y168 L200 M202 D205I136-R138 HydrophobicContact CB-CG 4.48Å; I136-R138 HydrophobicContact CD1-CG 3.74Å; I136-R138 HydrophobicContact CG1-CG 3.81Å; I136-A165 CarbonylContact O-C 3.59Å; I136-A165 WeakPolarHBondContact O-CA 3.16Å; I136-A165 WeakPolarHBondContact O-CB 3.2Å; I136-F166 HydrophobicContact CD1-CB 4.44Å; I136-F166 HydrophobicContact CD1-CD1 4.4Å; I136-F166 HydrophobicContact CG1-CB 3.99Å; I136-F166 HydrophobicContact CG1-CD1 4.44Å; I136-F166 WeakPolarHBondContact CG1-O 3.39Å; I136-F166 PolarHBondContact N-O 2.84Å; I136-F166 PolarHBondContact O-N 2.9Å; I136-Y168 HydrophobicContact CG2-CD1 3.71Å; I136-Y168 HydrophobicContact CG2-CE1 4.19Å; I136-Y168 HydrophobicContact CG2-CG 4.23Å; I136-L200 HydrophobicContact CD1-CB 3.89Å; I136-M202 HydrophobicContact CG2-CG 4.14Å; I136-D205 VanDerWaalsContact CA-OD2 3.31Å; I136-D205 WeakPolarHBondContact CA-OD2 3.47Å; I136-D205 VanDerWaalsContact CB-OD2 3.28Å; I136-D205 WeakPolarHBondContact CB-OD2 3.28Å
137H95.3Very high95.9Very high2 Ų217.7 Ų17.71%0.0099%0.089CC..  trans-72.2-49.1-176.3-162.4-86.9000112.7L127 L130 D139 V140 M159 L160 D161 F162 L164 A165 D205L127-H137 HydrophobicContact CD2-CB 4.36Å; L130-H137 HydrophobicContact CD2-CB 3.64Å; H137-D139 VanDerWaalsContact ND1-C 3.33Å; H137-D139 PolarHBondContact ND1-N 3.23Å; H137-D139 PolarHBondContact ND1-O 3.21Å; H137-D139 PolarHBondContact O-N 3.45Å; H137-V140 HydrophobicContact CB-CG2 3.9Å; H137-M159 VanDerWaalsContact CD2-SD 3.53Å; H137-L160 PolarHBondContact CE1-O 2.81Å; H137-L160 PolarHBondContact NE2-O 2.99Å; H137-L160 VanDerWaalsContact NE2-O 3.1Å; H137-D161 PolarHBondContact CE1-O 3.18Å; H137-D161 PolarHBondContact NE2-O 3.38Å; H137-F162 AromaticContact CD2-CD1 3.76Å; H137-F162 AromaticContact CD2-CE1 3.93Å; H137-F162 AromaticContact NE2-CD1 3.91Å; H137-L164 CarbonylContact O-C 3.56Å; H137-A165 WeakPolarHBondContact O-CA 3.46Å; H137-A165 PolarHBondContact O-N 2.97Å; H137-D205 PolarHBondContact N-OD2 3.41Å
138R94.4Very high95.6Very high30 Ų3018.2 Ų18.211%0.11310%0.095CC..SBendtrans66.11.8-177.4-50-168.7-59.6175.3-1.4117.2I136 L164 F166 F183 L200 D205I136-R138 HydrophobicContact CB-CG 4.48Å; I136-R138 HydrophobicContact CD1-CG 3.74Å; I136-R138 HydrophobicContact CG1-CG 3.81Å; R138-L164 PolarHBondContact NE-O 3.08Å; R138-L164 PolarHBondContact NH2-O 3.49Å; R138-F166 HydrophobicContact CG-CB 4.47Å; R138-F183 WeakPolarHBondContact O-CE2 3.47Å; R138-L200 HydrophobicContact CG-CD1 4.41Å; R138-D205 WeakPolarHBondContact CA-OD1 3.36Å; R138-D205 PolarHBondContact N-OD1 3.25Å
139D95.7Very high95.3Very high9 Ų918.7 Ų18.75%0.04810%0.104CC..  trans-141.943.5176-162.339000112.3H137 K141 N144 L164 T186H137-D139 VanDerWaalsContact ND1-C 3.33Å; H137-D139 PolarHBondContact ND1-N 3.23Å; H137-D139 PolarHBondContact ND1-O 3.21Å; H137-D139 PolarHBondContact O-N 3.45Å; D139-K141 PolarHBondContact O-N 3.35Å; D139-K141 IonicContact OD1-NZ 2.67Å; D139-K141 WeakPolarHBondContact OD2-CE 3.36Å; D139-K141 IonicContact OD2-NZ 3.7Å; D139-K141 PolarHBondContact OD2-NZ 2.81Å; D139-N144 PolarHBondContact O-ND2 2.86Å; D139-N144 PolarHBondContact OD2-ND2 3.43Å; D139-L164 HydrophobicContact CB-CB 4.24Å; D139-L164 HydrophobicContact CB-CD1 3.57Å; D139-L164 HydrophobicContact CB-CG 4.49Å; D139-T186 VanDerWaalsContact OD1-CB 3.25Å; D139-T186 WeakPolarHBondContact OD1-CB 3.34Å; D139-T186 PolarHBondContact OD1-N 2.86Å; D139-T186 PolarHBondContact OD1-OG1 2.65Å
140V98.2Very high94.8Very high3 Ų319.7 Ų19.72%0.01811%0.11CC..  trans-66.8121.8175.5179.20000109.2L127 H137 F145 Y189 D205 A208 L209L127-V140 HydrophobicContact CD2-CG2 3.87Å; H137-V140 HydrophobicContact CB-CG2 3.9Å; V140-F145 HydrophobicContact CG1-CE2 3.74Å; V140-F145 HydrophobicContact CG1-CZ 4.03Å; V140-Y189 WeakPolarHBondContact O-CB 3.37Å; V140-D205 HydrophobicContact CG2-CB 3.84Å; V140-A208 HydrophobicContact CB-CB 3.79Å; V140-A208 HydrophobicContact CG1-CB 4.29Å; V140-L209 HydrophobicContact CG1-CB 4Å
141K97.4Very high94.3Very high32 Ų3225.4 Ų25.414%0.13915%0.149CC..  trans-165.3159.8-178.766.3-164-171.2-1580110.5D139 S143 N144 F145 T186 Y189 T212D139-K141 PolarHBondContact O-N 3.35Å; D139-K141 IonicContact OD1-NZ 2.67Å; D139-K141 WeakPolarHBondContact OD2-CE 3.36Å; D139-K141 IonicContact OD2-NZ 3.7Å; D139-K141 PolarHBondContact OD2-NZ 2.81Å; K141-S143 VanDerWaalsContact C-N 3.28Å; K141-S143 WeakPolarHBondContact CE-OG 3.48Å; K141-S143 PolarHBondContact O-N 3.29Å; K141-N144 WeakPolarHBondContact CE-ND2 3.42Å; K141-N144 WeakPolarHBondContact CE-OD1 3.46Å; K141-N144 HydrophobicContact CG-CB 4.15Å; K141-N144 PolarHBondContact O-N 2.95Å; K141-F145 VanDerWaalsContact O-CD2 3.31Å; K141-F145 WeakPolarHBondContact O-CD2 3.08Å; K141-T186 HydrophobicContact CD-CG2 4.22Å; K141-T186 WeakPolarHBondContact CD-OG1 3.31Å; K141-T186 PolarHBondContact NZ-OG1 2.79Å; K141-Y189 HydrophobicContact CB-CD2 3.32Å; K141-Y189 HydrophobicContact CB-CE2 3.44Å; K141-Y189 VanDerWaalsContact CB-CE2 3.44Å; K141-Y189 HydrophobicContact CB-CG 3.95Å; K141-Y189 HydrophobicContact CD-CD2 4.48Å; K141-Y189 HydrophobicContact CD-CE2 4.48Å; K141-T212 WeakPolarHBondContact CA-OG1 3.25Å
142P97.7Very high94Very high0 Ų032.1 Ų32.10%019%0.185CC..G310 helixtrans-57.3-36.5-175.6-13.617.9000114.2L99 H100 N144 F145 Y189 T212 L216L99-P142 HydrophobicContact CB-CB 4.03Å; L99-P142 PolarHBondContact N-O 2.92Å; H100-P142 HydrophobicContact CB-CB 4.01Å; P142-N144 PolarHBondContact O-N 3.23Å; P142-F145 PolarHBondContact O-N 2.99Å; P142-F145 VanDerWaalsContact O-N 3.14Å; P142-F145 VanDerWaalsContact O-O 3.11Å; P142-Y189 WeakPolarHBondContact CD-OH 3.47Å; P142-Y189 HydrophobicContact CG-CE1 4.14Å; P142-T212 HydrophobicContact CB-CG2 4.17Å; P142-T212 HydrophobicContact CG-CG2 3.72Å; P142-L216 HydrophobicContact CB-CD2 3.98Å; P142-L216 HydrophobicContact CG-CD2 4.23Å; P142-L216 HydrophobicContact CG-CG 4.49Å
143S95.9Very high93.8Very high44 Ų4430 Ų3031%0.30819%0.187SC..G310 helixtrans-70.5-11.7-179.372.20000114.6K141K141-S143 VanDerWaalsContact C-N 3.28Å; K141-S143 WeakPolarHBondContact CE-OG 3.48Å; K141-S143 PolarHBondContact O-N 3.29Å
144N97.3Very high93.7Very high11 Ų1132.2 Ų32.26%0.05920%0.195CC..G310 helixtrans-98.48176.2-73.6-4.3000111.8D139 K141 P142 L160D139-N144 PolarHBondContact O-ND2 2.86Å; D139-N144 PolarHBondContact OD2-ND2 3.43Å; K141-N144 WeakPolarHBondContact CE-ND2 3.42Å; K141-N144 WeakPolarHBondContact CE-OD1 3.46Å; K141-N144 HydrophobicContact CG-CB 4.15Å; K141-N144 PolarHBondContact O-N 2.95Å; P142-N144 PolarHBondContact O-N 3.23Å; N144-L160 PolarHBondContact O-N 3.02Å
145F98.1Very high93.8Very high1 Ų133.3 Ų33.30%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-121122.5171.2-66.8-75.4000109D98 L99 C123 V140 K141 P142 I157 Y158 M159D98-F145 CarbonylContact C-O 3.57Å; D98-F145 VanDerWaalsContact CA-O 3.22Å; D98-F145 WeakPolarHBondContact CA-O 3.47Å; D98-F145 WeakPolarHBondContact CB-O 3.4Å; L99-F145 HydrophobicContact CD1-CB 3.6Å; L99-F145 HydrophobicContact CD1-CG 4.38Å; L99-F145 HydrophobicContact CG-CB 3.94Å; L99-F145 PolarHBondContact N-O 2.82Å; C123-F145 HydrophobicContact CB-CE1 4.22Å; C123-F145 HydrophobicContact CB-CZ 4.3Å; V140-F145 HydrophobicContact CG1-CE2 3.74Å; V140-F145 HydrophobicContact CG1-CZ 4.03Å; K141-F145 VanDerWaalsContact O-CD2 3.31Å; K141-F145 WeakPolarHBondContact O-CD2 3.08Å; P142-F145 PolarHBondContact O-N 2.99Å; P142-F145 VanDerWaalsContact O-N 3.14Å; P142-F145 VanDerWaalsContact O-O 3.11Å; F145-I157 HydrophobicContact CB-CG2 3.89Å; F145-I157 HydrophobicContact CD1-CG2 3.6Å; F145-I157 HydrophobicContact CG-CG2 4.14Å; F145-Y158 CarbonylContact C-O 3.59Å; F145-Y158 VanDerWaalsContact CA-O 3.3Å; F145-Y158 WeakPolarHBondContact CA-O 3.24Å; F145-M159 HydrophobicContact CD1-CB 4.12Å; F145-M159 HydrophobicContact CD1-CG 4.5Å; F145-M159 HydrophobicContact CE1-CB 3.87Å; F145-M159 HydrophobicContact CE1-CG 3.96Å; F145-M159 HydrophobicContact CE1-SD 4.31Å
146T96.9Very high94Very high7 Ų734 Ų344%0.04320%0.204CC..EExtended strand (participates in β ladder)trans-118.8149.7-179.151.90000111.9T95 G96 R97 D98 I157 Y158 L160T95-T146 WeakPolarHBondContact CB-OG1 3.21Å; T95-T146 WeakPolarHBondContact OG1-CB 3.4Å; T95-T146 PolarHBondContact OG1-OG1 3.33Å; G96-T146 WeakPolarHBondContact O-CG2 3.47Å; R97-T146 WeakPolarHBondContact O-CA 3.31Å; D98-T146 HydrophobicContact CB-CG2 3.77Å; T146-I157 CarbonylContact O-C 3.47Å; T146-I157 WeakPolarHBondContact O-CA 3.47Å; T146-Y158 PolarHBondContact N-O 2.96Å; T146-Y158 PolarHBondContact O-N 3.33Å; T146-L160 HydrophobicContact CG2-CD1 3.42Å; T146-L160 VanDerWaalsContact CG2-CD1 3.42Å; T146-L160 HydrophobicContact CG2-CG 4.28Å
147I95.7Very high94.1Very high1 Ų133.9 Ų33.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-84.8136.6173.6-56.6-58.9000110G96 R97 L99 L102 Q155 I156 I157 L290 L292 Y294G96-I147 WeakPolarHBondContact CA-O 3.3Å; G96-I147 PolarHBondContact N-O 2.82Å; R97-I147 PolarHBondContact O-N 3.49Å; L99-I147 HydrophobicContact CD2-CD1 3.89Å; L99-I147 HydrophobicContact CD2-CG1 4.28Å; L102-I147 HydrophobicContact CD1-CB 4.26Å; L102-I147 HydrophobicContact CD1-CG1 3.37Å; I147-Q155 HydrophobicContact CG2-CB 4.12Å; I147-Q155 HydrophobicContact CG2-CG 4.26Å; I147-I156 WeakPolarHBondContact CA-O 3.31Å; I147-I157 HydrophobicContact CD1-CD1 4.42Å; I147-I157 HydrophobicContact CD1-CG1 3.61Å; I147-L290 HydrophobicContact CD1-CD2 3.64Å; I147-L292 HydrophobicContact CD1-CD1 3.93Å; I147-L292 HydrophobicContact CG1-CD1 4.05Å; I147-Y294 HydrophobicContact CB-CE1 4.47Å; I147-Y294 HydrophobicContact CG2-CE1 3.72Å
148G93Very high94.3Very high11 Ų1135.7 Ų35.711%0.11321%0.211CC..EExtended strand (participates in β ladder)trans-135.5-167.7159.100000110.1Q155 I156G148-Q155 WeakPolarHBondContact O-CA 3.14Å; G148-I156 PolarHBondContact N-O 3.33Å; G148-I156 PolarHBondContact O-N 3.3Å
149V90.9Very high94.4Very high74 Ų7434.4 Ų34.445%0.44821%0.206SC..EExtended strand (participates in β ladder)trans-128.4134.5-176.3-171.70000108K154V149-K154 WeakPolarHBondContact CA-O 3.47Å
150D87.6Confident94.4Very high48 Ų4836 Ų3626%0.25721%0.214SC..  trans-79-179.7173.376.72.7000111.8N152 G153 K154 I156D150-N152 PolarHBondContact O-N 2.9Å; D150-N152 VanDerWaalsContact O-N 3.13Å; D150-N152 WeakPolarHBondContact OD1-CA 3.46Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.39Å; D150-G153 PolarHBondContact O-N 2.87Å; D150-G153 PolarHBondContact OD1-N 3.37Å; D150-G153 VanDerWaalsContact OD1-N 3.1Å; D150-K154 PolarHBondContact N-O 2.84Å; D150-K154 WeakPolarHBondContact OD1-CB 3.48Å; D150-K154 PolarHBondContact OD1-N 2.66Å; D150-I156 HydrophobicContact CB-CD1 4.15Å; D150-I156 HydrophobicContact CB-CG2 4.05Å
151S85.6Confident94.1Very high119 Ų11936.8 Ų36.883%0.83222%0.218SC*.THydrogen-bonded Turntrans-63-17.117956.40000114.2
152N88.8Confident94Very high142 Ų14235.4 Ų35.476%0.75921%0.212SC*.THydrogen-bonded Turntrans-100.35.6-178.3-58.4-39.4000112.3D150 K154D150-N152 PolarHBondContact O-N 2.9Å; D150-N152 VanDerWaalsContact O-N 3.13Å; D150-N152 WeakPolarHBondContact OD1-CA 3.46Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.39Å; N152-K154 VanDerWaalsContact C-N 3.31Å
153G88.4Confident93.6Very high54 Ų5435.4 Ų35.456%0.55721%0.212SC*.SBendtrans82.13.9-177.200000114.3D150D150-G153 PolarHBondContact O-N 2.87Å; D150-G153 PolarHBondContact OD1-N 3.37Å; D150-G153 VanDerWaalsContact OD1-N 3.1Å
154K91.6Very high93.4Very high82 Ų8233.7 Ų33.736%0.35720%0.199SC..  trans-79.3136179.7-177.5178.7179.1169.60110.2V149 D150 N152 I156 G288 T289V149-K154 WeakPolarHBondContact CA-O 3.47Å; D150-K154 PolarHBondContact N-O 2.84Å; D150-K154 WeakPolarHBondContact OD1-CB 3.48Å; D150-K154 PolarHBondContact OD1-N 2.66Å; N152-K154 VanDerWaalsContact C-N 3.31Å; K154-I156 PolarHBondContact O-N 3.43Å; K154-G288 PolarHBondContact NZ-O 2.9Å; K154-T289 HydrophobicContact CD-CG2 4.07Å; K154-T289 HydrophobicContact CG-CG2 4.27Å
155Q94.8Very high93.2Very high22 Ų2233.2 Ų33.210%0.10320%0.197CC..EExtended strand (participates in β ladder)trans-69125.5173.7-62.3-174.27.300110.9Q122 I147 G148 L290 L292Q122-Q155 PolarHBondContact NE2-O 3.39Å; I147-Q155 HydrophobicContact CG2-CB 4.12Å; I147-Q155 HydrophobicContact CG2-CG 4.26Å; G148-Q155 WeakPolarHBondContact O-CA 3.14Å; Q155-L290 HydrophobicContact CB-CB 4.33Å; Q155-L290 WeakPolarHBondContact CB-O 3.34Å; Q155-L292 PolarHBondContact NE2-O 3.11Å
156I96Very high92.8Very high20 Ų2035.8 Ų35.810%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-120.6145.1177.657.5169.7000110.9Q122 I147 G148 D150 K154 Y158Q122-I156 VanDerWaalsContact OE1-CA 3.25Å; I147-I156 WeakPolarHBondContact CA-O 3.31Å; G148-I156 PolarHBondContact N-O 3.33Å; G148-I156 PolarHBondContact O-N 3.3Å; D150-I156 HydrophobicContact CB-CD1 4.15Å; D150-I156 HydrophobicContact CB-CG2 4.05Å; K154-I156 PolarHBondContact O-N 3.43Å; I156-Y158 HydrophobicContact CD1-CD2 4.49Å; I156-Y158 HydrophobicContact CD1-CE1 4.26Å; I156-Y158 HydrophobicContact CD1-CE2 3.55Å; I156-Y158 VanDerWaalsContact CD1-CZ 3.43Å; I156-Y158 VanDerWaalsContact CD1-OH 3.25Å; I156-Y158 WeakPolarHBondContact CD1-OH 3.1Å; I156-Y158 HydrophobicContact CG1-CD2 4.37Å; I156-Y158 HydrophobicContact CG1-CE2 3.7Å
157I97.8Very high92.4Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-93.2127.8174.9-74.2162.7000109.6H74 I119 Q122 F145 T146 I147 L290H74-I157 WeakPolarHBondContact CA-O 3.4Å; H74-I157 WeakPolarHBondContact CB-O 3.4Å; H74-I157 PolarHBondContact ND1-O 3.05Å; I119-I157 HydrophobicContact CB-CD1 4.1Å; I119-I157 HydrophobicContact CG1-CD1 4.02Å; I119-I157 HydrophobicContact CG2-CD1 3.98Å; Q122-I157 HydrophobicContact CB-CB 4.07Å; Q122-I157 HydrophobicContact CB-CD1 3.97Å; Q122-I157 HydrophobicContact CB-CG1 4.45Å; F145-I157 HydrophobicContact CB-CG2 3.89Å; F145-I157 HydrophobicContact CD1-CG2 3.6Å; F145-I157 HydrophobicContact CG-CG2 4.14Å; T146-I157 CarbonylContact O-C 3.47Å; T146-I157 WeakPolarHBondContact O-CA 3.47Å; I147-I157 HydrophobicContact CD1-CD1 4.42Å; I147-I157 HydrophobicContact CD1-CG1 3.61Å; I157-L290 HydrophobicContact CD1-CD2 3.91Å; I157-L290 HydrophobicContact CG1-CD2 4.09Å
158Y97.9Very high91.7Very high40 Ų4040.2 Ų40.216%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-102130.4169.5-69-85.1000110.5H74 T95 F145 T146 I156H74-Y158 CarbonylContact O-C 3.58Å; H74-Y158 WeakPolarHBondContact O-CA 3.35Å; T95-Y158 HydrophobicContact CG2-CD1 4.21Å; T95-Y158 HydrophobicContact CG2-CD2 3.5Å; T95-Y158 VanDerWaalsContact CG2-CD2 3.5Å; T95-Y158 HydrophobicContact CG2-CE2 4.06Å; T95-Y158 HydrophobicContact CG2-CG 3.57Å; F145-Y158 CarbonylContact C-O 3.59Å; F145-Y158 VanDerWaalsContact CA-O 3.3Å; F145-Y158 WeakPolarHBondContact CA-O 3.24Å; T146-Y158 PolarHBondContact N-O 2.96Å; T146-Y158 PolarHBondContact O-N 3.33Å; I156-Y158 HydrophobicContact CD1-CD2 4.49Å; I156-Y158 HydrophobicContact CD1-CE1 4.26Å; I156-Y158 HydrophobicContact CD1-CE2 3.55Å; I156-Y158 VanDerWaalsContact CD1-CZ 3.43Å; I156-Y158 VanDerWaalsContact CD1-OH 3.25Å; I156-Y158 WeakPolarHBondContact CD1-OH 3.1Å; I156-Y158 HydrophobicContact CG1-CD2 4.37Å; I156-Y158 HydrophobicContact CG1-CE2 3.7Å
159M98.2Very high90.8Very high3 Ų339.9 Ų39.92%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-85.3130.4169.3179.9171.645.400110.4H74 A126 L127 L130 H137 F145 F162H74-M159 PolarHBondContact O-N 2.95Å; A126-M159 HydrophobicContact CB-CB 4.14Å; A126-M159 HydrophobicContact CB-CE 4Å; A126-M159 WeakPolarHBondContact O-CE 3.19Å; L127-M159 HydrophobicContact CD2-SD 3.94Å; L130-M159 HydrophobicContact CB-CE 3.81Å; L130-M159 HydrophobicContact CD2-CE 4.09Å; L130-M159 HydrophobicContact CD2-SD 4.26Å; L130-M159 HydrophobicContact CG-CE 4.47Å; H137-M159 VanDerWaalsContact CD2-SD 3.53Å; F145-M159 HydrophobicContact CD1-CB 4.12Å; F145-M159 HydrophobicContact CD1-CG 4.5Å; F145-M159 HydrophobicContact CE1-CB 3.87Å; F145-M159 HydrophobicContact CE1-CG 3.96Å; F145-M159 HydrophobicContact CE1-SD 4.31Å; M159-F162 HydrophobicContact CE-CE1 3.83Å; M159-F162 HydrophobicContact CE-CZ 4.31Å; M159-F162 HydrophobicContact CG-CE1 3.99Å; M159-F162 HydrophobicContact CG-CZ 4.32Å; M159-F162 HydrophobicContact SD-CE1 4.15Å
160L94.8Very high89.8Confident41 Ų4141.8 Ų41.822%0.21523%0.231CC..  trans-120.5162.8-175-55.4-172000112.6C76 H137 N144 T146C76-L160 WeakPolarHBondContact SG-CD2 3.25Å; H137-L160 PolarHBondContact CE1-O 2.81Å; H137-L160 PolarHBondContact NE2-O 2.99Å; H137-L160 VanDerWaalsContact NE2-O 3.1Å; N144-L160 PolarHBondContact O-N 3.02Å; T146-L160 HydrophobicContact CG2-CD1 3.42Å; T146-L160 VanDerWaalsContact CG2-CD1 3.42Å; T146-L160 HydrophobicContact CG2-CG 4.28Å
161D92.9Very high88.7Confident21 Ų2143.4 Ų43.411%0.11224%0.244CC..  trans64.169.6171.4-156.8-2.4000116.1K48 H137 G163K48-D161 IonicContact NZ-OD1 2.66Å; K48-D161 PolarHBondContact NZ-OD1 3.2Å; K48-D161 IonicContact NZ-OD2 2.76Å; H137-D161 PolarHBondContact CE1-O 3.18Å; H137-D161 PolarHBondContact NE2-O 3.38Å; D161-G163 PolarHBondContact O-N 3.01Å; D161-G163 VanDerWaalsContact O-N 3.12Å; D161-G163 PolarHBondContact OD1-N 3.31Å
162F94.2Very high87.5Confident3 Ų342 Ų421%0.01325%0.248CC..G310 helixtrans-75.99.1172.8-49.9-66.2000114E62 I65 L66 L69 L130 H137 M159 L164 A165E62-F162 HydrophobicContact CB-CB 4.36Å; E62-F162 HydrophobicContact CG-CB 4.07Å; E62-F162 HydrophobicContact CG-CD2 4.17Å; I65-F162 HydrophobicContact CB-CB 4.24Å; I65-F162 HydrophobicContact CB-CG 4.33Å; I65-F162 HydrophobicContact CD1-CB 3.87Å; I65-F162 HydrophobicContact CG2-CB 4.03Å; I65-F162 HydrophobicContact CG2-CD1 3.94Å; I65-F162 HydrophobicContact CG2-CD2 3.96Å; I65-F162 HydrophobicContact CG2-CE1 4.44Å; I65-F162 HydrophobicContact CG2-CE2 4.46Å; I65-F162 HydrophobicContact CG2-CG 3.68Å; L66-F162 HydrophobicContact CD1-CD2 4.39Å; L66-F162 HydrophobicContact CD1-CE2 3.76Å; L69-F162 HydrophobicContact CD1-CE1 4Å; L69-F162 HydrophobicContact CD1-CE2 4.08Å; L69-F162 HydrophobicContact CD1-CZ 3.62Å; L130-F162 HydrophobicContact CD1-CD1 4.07Å; L130-F162 HydrophobicContact CD1-CE1 4.12Å; L130-F162 HydrophobicContact CD2-CD1 4.5Å; L130-F162 HydrophobicContact CD2-CE1 4.46Å; H137-F162 AromaticContact CD2-CD1 3.76Å; H137-F162 AromaticContact CD2-CE1 3.93Å; H137-F162 AromaticContact NE2-CD1 3.91Å; M159-F162 HydrophobicContact CE-CE1 3.83Å; M159-F162 HydrophobicContact CE-CZ 4.31Å; M159-F162 HydrophobicContact CG-CE1 3.99Å; M159-F162 HydrophobicContact CG-CZ 4.32Å; M159-F162 HydrophobicContact SD-CE1 4.15Å; F162-L164 PolarHBondContact O-N 3.22Å; F162-L164 VanDerWaalsContact O-N 3.13Å; F162-A165 HydrophobicContact CB-CB 4.16Å; F162-A165 VanDerWaalsContact O-CB 3.28Å; F162-A165 WeakPolarHBondContact O-CB 3.25Å; F162-A165 PolarHBondContact O-N 2.89Å
163G89.9Confident86.3Confident0 Ų042.6 Ų42.60%024%0.244CC..G310 helixtrans-61.3-24.9-178.400000113.1K61 D161K61-G163 VanDerWaalsContact CE-O 3.31Å; K61-G163 WeakPolarHBondContact CE-O 3.3Å; K61-G163 PolarHBondContact NZ-O 2.91Å; D161-G163 PolarHBondContact O-N 3.01Å; D161-G163 VanDerWaalsContact O-N 3.12Å; D161-G163 PolarHBondContact OD1-N 3.31Å
164L90.8Very high84.9Confident7 Ų744.5 Ų44.54%0.03724%0.241CC..G310 helixtrans-95.2-5.6173.2-73.2174.7000115Y30 H137 R138 D139 F162 H184Y30-L164 HydrophobicContact CE2-CG 4.41Å; Y30-L164 WeakPolarHBondContact OH-CD1 3.45Å; Y30-L164 WeakPolarHBondContact OH-CD2 3.39Å; Y30-L164 WeakPolarHBondContact OH-CG 3.31Å; H137-L164 CarbonylContact O-C 3.56Å; R138-L164 PolarHBondContact NE-O 3.08Å; R138-L164 PolarHBondContact NH2-O 3.49Å; D139-L164 HydrophobicContact CB-CB 4.24Å; D139-L164 HydrophobicContact CB-CD1 3.57Å; D139-L164 HydrophobicContact CB-CG 4.49Å; F162-L164 PolarHBondContact O-N 3.22Å; F162-L164 VanDerWaalsContact O-N 3.13Å; L164-H184 VanDerWaalsContact CD1-O 3.25Å; L164-H184 WeakPolarHBondContact CD1-O 3.22Å; L164-H184 HydrophobicContact CD2-CB 3.59Å
165A92.9Very high83.2Confident1 Ų142.1 Ų42.11%0.00823%0.234CC..  trans-59.2148.7-176.900000111.9K61 I65 F135 I136 H137 F162K61-A165 WeakPolarHBondContact CE-O 3.45Å; K61-A165 PolarHBondContact NZ-O 3.25Å; I65-A165 HydrophobicContact CD1-CB 3.46Å; I65-A165 VanDerWaalsContact CD1-CB 3.46Å; F135-A165 HydrophobicContact CD1-CB 4.25Å; I136-A165 CarbonylContact O-C 3.59Å; I136-A165 WeakPolarHBondContact O-CA 3.16Å; I136-A165 WeakPolarHBondContact O-CB 3.2Å; H137-A165 WeakPolarHBondContact O-CA 3.46Å; H137-A165 PolarHBondContact O-N 2.97Å; F162-A165 HydrophobicContact CB-CB 4.16Å; F162-A165 VanDerWaalsContact O-CB 3.28Å; F162-A165 WeakPolarHBondContact O-CB 3.25Å; F162-A165 PolarHBondContact O-N 2.89Å
166F89.7Confident81.2Confident56 Ų5645.5 Ų45.525%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-130131.9-178.9179.9-97000109.9F135 I136 R138 Y168 Y177 P181F135-F166 CarbonylContact C-O 3.53Å; F135-F166 VanDerWaalsContact CA-O 3.32Å; F135-F166 WeakPolarHBondContact CA-O 3.41Å; I136-F166 HydrophobicContact CD1-CB 4.44Å; I136-F166 HydrophobicContact CD1-CD1 4.4Å; I136-F166 HydrophobicContact CG1-CB 3.99Å; I136-F166 HydrophobicContact CG1-CD1 4.44Å; I136-F166 WeakPolarHBondContact CG1-O 3.39Å; I136-F166 PolarHBondContact N-O 2.84Å; I136-F166 PolarHBondContact O-N 2.9Å; R138-F166 HydrophobicContact CG-CB 4.47Å; F166-Y168 PolarHBondContact O-N 2.54Å; F166-Y177 HydrophobicContact CE1-CD2 4.26Å; F166-Y177 HydrophobicContact CZ-CD2 4.2Å; F166-Y177 HydrophobicContact CZ-CG 4.2Å; F166-P181 HydrophobicContact CD2-CG 4.41Å; F166-P181 HydrophobicContact CE2-CG 4.24Å; F166-P181 HydrophobicContact CZ-CG 4.43Å
167Q89.2Confident79.4Confident75 Ų7550.7 Ų50.735%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-76.2107.2176.2-166.4171.54.400108.5G134 F135 G169G134-Q167 CarbonylContact O-C 3.56Å; G134-Q167 WeakPolarHBondContact O-CA 3.39Å; F135-Q167 HydrophobicContact CD1-CB 4.01Å; F135-Q167 HydrophobicContact CE1-CB 3.57Å; F135-Q167 HydrophobicContact CE1-CG 4.15Å; F135-Q167 HydrophobicContact CE2-CB 4.49Å; F135-Q167 HydrophobicContact CE2-CG 4.19Å; F135-Q167 HydrophobicContact CZ-CB 3.84Å; F135-Q167 HydrophobicContact CZ-CG 3.91Å; Q167-G169 WeakPolarHBondContact CG-O 3.3Å
168Y81.9Confident77.2Confident26 Ų2656 Ų5610%0.10232%0.324CS..  trans-91.1-17.1-176.874.3-85.8000112.4H131 G134 I136 F166 L174 C175 M202H131-Y168 PolarHBondContact O-OH 3.36Å; G134-Y168 VanDerWaalsContact C-CD1 3.42Å; G134-Y168 WeakPolarHBondContact O-CD1 3.48Å; G134-Y168 PolarHBondContact O-N 2.79Å; I136-Y168 HydrophobicContact CG2-CD1 3.71Å; I136-Y168 HydrophobicContact CG2-CE1 4.19Å; I136-Y168 HydrophobicContact CG2-CG 4.23Å; F166-Y168 PolarHBondContact O-N 2.54Å; Y168-L174 HydrophobicContact CE2-CD2 4.17Å; Y168-C175 WeakPolarHBondContact O-CA 3.21Å; Y168-M202 HydrophobicContact CE1-CG 4.19Å; Y168-M202 HydrophobicContact CE2-CE 4.26Å; Y168-M202 HydrophobicContact CE2-CG 4.31Å; Y168-M202 HydrophobicContact CE2-SD 4.3Å; Y168-M202 PolarHBondContact OH-SD 2.9Å; Y168-M202 VanDerWaalsContact OH-SD 3.33Å
169G72.3Confident75.1Confident4 Ų456.3 Ų56.34%0.04134%0.339CS..SBendtrans-165.7178.518000000112.7Q167Q167-G169 WeakPolarHBondContact CG-O 3.3Å
170I70.6Confident73.2Confident114 Ų11458.3 Ų58.359%0.58536%0.356SS*.BIsolated β-bridgetrans-88.7138.4163.4-59.5172.2000105.4G172 K173I170-G172 PolarHBondContact O-N 3.22Å; I170-G172 VanDerWaalsContact O-N 3.14Å; I170-K173 PolarHBondContact O-N 3.39Å; I170-K173 VanDerWaalsContact O-O 3.09Å
171P64.6Low71.8Confident81 Ų8158.8 Ų58.853%0.52636%0.362SS..THydrogen-bonded Turntrans-44.5125.2174-29.735.7000111.4
172G59.4Low71Confident90 Ų9062.1 Ų62.193%0.92838%0.383SS*.THydrogen-bonded Turntrans85.4-6.3-176.200000116.7I170I170-G172 PolarHBondContact O-N 3.22Å; I170-G172 VanDerWaalsContact O-N 3.14Å
173K63.9Low70.2Confident155 Ų15563.2 Ų63.267%0.67439%0.388SS*.BIsolated β-bridgetrans-124.8112172.3-70.7-172.6178.7-178.20111.1I170 C175I170-K173 PolarHBondContact O-N 3.39Å; I170-K173 VanDerWaalsContact O-O 3.09Å; K173-C175 PolarHBondContact O-N 3.35Å
174L59Low69.7Low93 Ų9368.9 Ų68.949%0.48741%0.414SS..  trans-69.8126.7177-75.1160.9000111.3Y168 M202Y168-L174 HydrophobicContact CE2-CD2 4.17Å; L174-M202 HydrophobicContact CD2-CE 3.73Å
175C57.5Low69.5Low32 Ų3269.3 Ų69.322%0.21642%0.42CS..  trans52.489.5153.5-153.70000117.6Y168 K173Y168-C175 WeakPolarHBondContact O-CA 3.21Å; K173-C175 PolarHBondContact O-N 3.35Å
176S52.3Low69.5Low94 Ų9471.3 Ų71.366%0.65743%0.432SS*.  trans-98.93.3170.462.60000115
177Y58.1Low69.7Low128 Ų12871 Ų7150%0.50243%0.433SS..  trans-98111.4-172.6-72.8-76.5000113.8F166F166-Y177 HydrophobicContact CE1-CD2 4.26Å; F166-Y177 HydrophobicContact CZ-CD2 4.2Å; F166-Y177 HydrophobicContact CZ-CG 4.2Å
178A50.4Low70Confident112 Ų11271.4 Ų71.493%0.92643%0.431SS*.  trans-82.3103.5159.900000108.9
179G55.4Low70.7Confident46 Ų4671 Ų7147%0.47443%0.429SS..SBendtrans147.4128.4175.900000111.1P181 S199G179-P181 WeakPolarHBondContact O-CD 3.45Å; G179-S199 PolarHBondContact O-OG 3.04Å
180A57.4Low71.8Confident45 Ų4571 Ų7137%0.37243%0.43SS..  trans-86.2103.2172.600000108.3T182 E197A180-T182 PolarHBondContact O-N 3.04Å; A180-E197 WeakPolarHBondContact CB-O 3.5Å
181P65.5Low72.9Confident52 Ų5265.8 Ų65.834%0.33840%0.403SS..PPolyproline II helixtrans-59.4138.8173.825.8-33.1000108.6F166 G179 F183F166-P181 HydrophobicContact CD2-CG 4.41Å; F166-P181 HydrophobicContact CE2-CG 4.24Å; F166-P181 HydrophobicContact CZ-CG 4.43Å; G179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-F183 PolarHBondContact O-N 3.33Å
182T75.5Confident74Confident90 Ų9063.2 Ų63.255%0.55238%0.384SS*.PPolyproline II helixtrans-48.9127.7173.4-55.20000109.5A180 H184A180-T182 PolarHBondContact O-N 3.04Å; T182-H184 PolarHBondContact O-CE1 3.24Å; T182-H184 PolarHBondContact O-ND1 3.44Å
183F78.9Confident75.4Confident27 Ų2759.5 Ų59.512%0.11834%0.343CS..PPolyproline II helixtrans-68.8132.1178.7178.3-104.1000110.9R138 P181 G185 L187 A190 A194 L200R138-F183 WeakPolarHBondContact O-CE2 3.47Å; P181-F183 PolarHBondContact O-N 3.33Å; F183-G185 VanDerWaalsContact CE1-C 3.41Å; F183-G185 WeakPolarHBondContact CE1-O 3.34Å; F183-G185 VanDerWaalsContact CZ-C 3.41Å; F183-L187 HydrophobicContact CD1-CD2 3.99Å; F183-L187 HydrophobicContact CE1-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CG 4.47Å; F183-A190 HydrophobicContact CE1-CB 3.67Å; F183-A190 HydrophobicContact CE2-CB 4.13Å; F183-A190 HydrophobicContact CZ-CB 3.37Å; F183-A194 HydrophobicContact CD1-CB 4.38Å; F183-A194 HydrophobicContact CD2-CB 3.67Å; F183-A194 HydrophobicContact CE2-CB 3.89Å; F183-A194 HydrophobicContact CG-CB 3.92Å; F183-A194 HydrophobicContact CZ-CB 4.33Å; F183-L200 HydrophobicContact CD2-CD1 3.86Å; F183-L200 HydrophobicContact CE2-CD1 4.28Å
184H79Confident76.6Confident118 Ų11852.2 Ų52.255%0.54631%0.311SS..  trans-126.213.9-177.2-71.190.4000113.6L164 T182L164-H184 VanDerWaalsContact CD1-O 3.25Å; L164-H184 WeakPolarHBondContact CD1-O 3.22Å; L164-H184 HydrophobicContact CD2-CB 3.59Å; T182-H184 PolarHBondContact O-CE1 3.24Å; T182-H184 PolarHBondContact O-ND1 3.44Å
185G87Confident78Confident16 Ų1647.8 Ų47.817%0.16529%0.288CS..SBendtrans-95.6-171.8-177.900000114.6F183 L187F183-G185 VanDerWaalsContact CE1-C 3.41Å; F183-G185 WeakPolarHBondContact CE1-O 3.34Å; F183-G185 VanDerWaalsContact CZ-C 3.41Å; G185-L187 PolarHBondContact O-N 3.11Å
186T92.8Very high79.2Confident44 Ų4446.7 Ų46.727%0.2728%0.282SS..  trans-76.9107.4-178.4-53.80000110.6D139 K141 R188 Y189 A190D139-T186 VanDerWaalsContact OD1-CB 3.25Å; D139-T186 WeakPolarHBondContact OD1-CB 3.34Å; D139-T186 PolarHBondContact OD1-N 2.86Å; D139-T186 PolarHBondContact OD1-OG1 2.65Å; K141-T186 HydrophobicContact CD-CG2 4.22Å; K141-T186 WeakPolarHBondContact CD-OG1 3.31Å; K141-T186 PolarHBondContact NZ-OG1 2.79Å; T186-R188 HydrophobicContact CG2-CB 4.21Å; T186-R188 PolarHBondContact O-N 3.46Å; T186-Y189 HydrophobicContact CG2-CD2 3.74Å; T186-Y189 HydrophobicContact CG2-CE2 3.95Å; T186-Y189 PolarHBondContact O-N 3.46Å; T186-Y189 VanDerWaalsContact O-N 3.13Å; T186-A190 PolarHBondContact O-N 3.08Å; T186-A190 VanDerWaalsContact O-N 3.15Å
187L93.4Very high80.7Confident50 Ų5045 Ų4526%0.26226%0.264SS..THydrogen-bonded Turntrans-56.4-26.4-175.4-70.8172.4000114F183 G185 Y189 H195 K229 L232 K236F183-L187 HydrophobicContact CD1-CD2 3.99Å; F183-L187 HydrophobicContact CE1-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CG 4.47Å; G185-L187 PolarHBondContact O-N 3.11Å; L187-Y189 PolarHBondContact O-N 3.19Å; L187-H195 PolarHBondContact O-NE2 2.81Å; L187-K229 HydrophobicContact CD1-CB 3.94Å; L187-K229 HydrophobicContact CD2-CB 4.13Å; L187-K229 HydrophobicContact CD2-CD 4.37Å; L187-K229 HydrophobicContact CD2-CG 3.96Å; L187-L232 HydrophobicContact CB-CD1 3.73Å; L187-K236 PolarHBondContact O-NZ 2.88Å
188R95.8Very high82Confident83 Ų8341.8 Ų41.831%0.31325%0.253SS..THydrogen-bonded Turntrans-57.7-44.9177178.3178.9-74.3-101.5-9.7112.2T186 E215 L221 W223 S224 K236T186-R188 HydrophobicContact CG2-CB 4.21Å; T186-R188 PolarHBondContact O-N 3.46Å; R188-E215 WeakPolarHBondContact CD-OE1 3.38Å; R188-E215 IonicContact CZ-OE1 3.92Å; R188-E215 IonicContact NH1-OE1 3.36Å; R188-E215 PolarHBondContact NH1-OE1 3.33Å; R188-L221 HydrophobicContact CG-CD1 4.03Å; R188-W223 PolarHBondContact O-NE1 3.29Å; R188-S224 PolarHBondContact NH1-OG 3.5Å; R188-S224 PolarHBondContact NH2-O 2.68Å; R188-K236 WeakPolarHBondContact O-CE 3.32Å; R188-K236 PolarHBondContact O-NZ 3.43Å
189Y96.7Very high83.7Confident16 Ų1638.2 Ų38.26%0.06322%0.22CC..THydrogen-bonded Turntrans-101.2-9.3-176-48.3-81000113.3V140 K141 P142 T186 L187 S191 A208 Y211 E215 L221V140-Y189 WeakPolarHBondContact O-CB 3.37Å; K141-Y189 HydrophobicContact CB-CD2 3.32Å; K141-Y189 HydrophobicContact CB-CE2 3.44Å; K141-Y189 VanDerWaalsContact CB-CE2 3.44Å; K141-Y189 HydrophobicContact CB-CG 3.95Å; K141-Y189 HydrophobicContact CD-CD2 4.48Å; K141-Y189 HydrophobicContact CD-CE2 4.48Å; P142-Y189 WeakPolarHBondContact CD-OH 3.47Å; P142-Y189 HydrophobicContact CG-CE1 4.14Å; T186-Y189 HydrophobicContact CG2-CD2 3.74Å; T186-Y189 HydrophobicContact CG2-CE2 3.95Å; T186-Y189 PolarHBondContact O-N 3.46Å; T186-Y189 VanDerWaalsContact O-N 3.13Å; L187-Y189 PolarHBondContact O-N 3.19Å; Y189-S191 PolarHBondContact O-N 3.21Å; Y189-A208 VanDerWaalsContact O-CA 3.24Å; Y189-A208 WeakPolarHBondContact O-CA 3.28Å; Y189-A208 WeakPolarHBondContact O-CB 3.46Å; Y189-Y211 VanDerWaalsContact O-CD2 3.31Å; Y189-Y211 WeakPolarHBondContact O-CD2 3.37Å; Y189-E215 PolarHBondContact OH-OE2 3.12Å; Y189-L221 HydrophobicContact CD1-CD1 4.33Å; Y189-L221 HydrophobicContact CE1-CD1 4.27Å
190A94.8Very high85.3Confident6 Ų637.2 Ų37.25%0.0520%0.204CC..  trans-56.8138.2-179.400000112.5F183 T186 A194 K236F183-A190 HydrophobicContact CE1-CB 3.67Å; F183-A190 HydrophobicContact CE2-CB 4.13Å; F183-A190 HydrophobicContact CZ-CB 3.37Å; T186-A190 PolarHBondContact O-N 3.08Å; T186-A190 VanDerWaalsContact O-N 3.15Å; A190-A194 HydrophobicContact CB-CB 3.92Å; A190-K236 PolarHBondContact O-NZ 3.38Å
191S93.5Very high86.8Confident3 Ų335.1 Ų35.12%0.02119%0.187CC..  trans-62.2161.5173.877.20000111.6Y189 N193 A194 H195 D204Y189-S191 PolarHBondContact O-N 3.21Å; S191-N193 PolarHBondContact O-N 3.34Å; S191-N193 PolarHBondContact OG-N 2.96Å; S191-A194 WeakPolarHBondContact O-CB 3.25Å; S191-A194 PolarHBondContact O-N 3.5Å; S191-A194 PolarHBondContact OG-N 3.2Å; S191-H195 PolarHBondContact O-CD2 3.45Å; S191-H195 PolarHBondContact O-N 2.98Å; S191-D204 WeakPolarHBondContact CB-OD1 2.96Å; S191-D204 PolarHBondContact OG-OD1 2.89Å
192F87.8Confident88.2Confident28 Ų2833.6 Ų33.612%0.12318%0.176CC..Hα-helixtrans-61.6-27.1174.8-174.9-116.1000113.1A194 H195 G196 G233 L237 L328 V332F192-A194 VanDerWaalsContact C-N 3.32Å; F192-A194 PolarHBondContact O-N 2.96Å; F192-H195 HydrophobicContact CD2-CB 4.44Å; F192-H195 WeakPolarHBondContact O-CB 3.49Å; F192-H195 PolarHBondContact O-N 3.44Å; F192-G196 PolarHBondContact O-N 3Å; F192-G233 WeakPolarHBondContact CD2-O 3.17Å; F192-G233 WeakPolarHBondContact CE2-O 3.34Å; F192-L237 HydrophobicContact CD1-CD1 4.23Å; F192-L237 HydrophobicContact CD2-CB 4.34Å; F192-L237 HydrophobicContact CE1-CD1 3.65Å; F192-L237 HydrophobicContact CE2-CB 3.88Å; F192-L237 HydrophobicContact CE2-CD1 4.19Å; F192-L237 HydrophobicContact CE2-CD2 4.33Å; F192-L237 HydrophobicContact CE2-CG 4.36Å; F192-L237 HydrophobicContact CZ-CB 4.17Å; F192-L237 HydrophobicContact CZ-CD1 3.71Å; F192-L237 HydrophobicContact CZ-CD2 3.89Å; F192-L237 HydrophobicContact CZ-CG 4.13Å; F192-L328 HydrophobicContact CE2-CD2 4.04Å; F192-L328 HydrophobicContact CZ-CD2 4.21Å; F192-V332 HydrophobicContact CD1-CB 4.09Å; F192-V332 HydrophobicContact CD1-CG1 3.81Å; F192-V332 HydrophobicContact CD1-CG2 3.53Å; F192-V332 HydrophobicContact CE1-CB 3.55Å; F192-V332 HydrophobicContact CE1-CG1 3.79Å; F192-V332 HydrophobicContact CE1-CG2 2.95Å; F192-V332 HydrophobicContact CZ-CB 4.46Å; F192-V332 HydrophobicContact CZ-CG2 3.56Å
193N88.8Confident89.1Confident12 Ų1229.3 Ų29.36%0.06415%0.15CC..Hα-helixtrans-62.1-38.6172.8-64-43.7000111.9S191 G196 E197 K198 L200 H203 D204S191-N193 PolarHBondContact O-N 3.34Å; S191-N193 PolarHBondContact OG-N 2.96Å; N193-G196 CarbonylContact O-C 3.54Å; N193-G196 PolarHBondContact O-N 2.9Å; N193-E197 PolarHBondContact O-N 3.14Å; N193-E197 VanDerWaalsContact O-N 3.12Å; N193-K198 HydrophobicContact CB-CB 4.13Å; N193-K198 PolarHBondContact O-N 2.68Å; N193-L200 HydrophobicContact CB-CD2 3.96Å; N193-H203 PolarHBondContact ND2-NE2 2.88Å; N193-H203 VanDerWaalsContact ND2-NE2 3.13Å; N193-D204 WeakPolarHBondContact CB-OD1 3.42Å; N193-D204 PolarHBondContact ND2-OD1 2.84Å
194A89.6Confident89.9Confident1 Ų128.3 Ų28.31%0.00815%0.145CC..Hα-helixtrans-66.3-36.8175.900000112.5F183 A190 S191 F192 G196 E197 L200F183-A194 HydrophobicContact CD1-CB 4.38Å; F183-A194 HydrophobicContact CD2-CB 3.67Å; F183-A194 HydrophobicContact CE2-CB 3.89Å; F183-A194 HydrophobicContact CG-CB 3.92Å; F183-A194 HydrophobicContact CZ-CB 4.33Å; A190-A194 HydrophobicContact CB-CB 3.92Å; S191-A194 WeakPolarHBondContact O-CB 3.25Å; S191-A194 PolarHBondContact O-N 3.5Å; S191-A194 PolarHBondContact OG-N 3.2Å; F192-A194 VanDerWaalsContact C-N 3.32Å; F192-A194 PolarHBondContact O-N 2.96Å; A194-G196 VanDerWaalsContact C-N 3.32Å; A194-E197 PolarHBondContact O-N 3.17Å; A194-L200 HydrophobicContact CB-CD1 4.15Å; A194-L200 HydrophobicContact CB-CD2 3.9Å
195H87.2Confident90.8Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-63.4-39.4172-74.9-88.1000111.8L187 S191 F192 E197 K229 G233 K236L187-H195 PolarHBondContact O-NE2 2.81Å; S191-H195 PolarHBondContact O-CD2 3.45Å; S191-H195 PolarHBondContact O-N 2.98Å; F192-H195 HydrophobicContact CD2-CB 4.44Å; F192-H195 WeakPolarHBondContact O-CB 3.49Å; F192-H195 PolarHBondContact O-N 3.44Å; H195-E197 VanDerWaalsContact C-N 3.3Å; H195-E197 PolarHBondContact O-N 3.03Å; H195-K229 PolarHBondContact CE1-O 3.32Å; H195-K229 PolarHBondContact ND1-O 2.94Å; H195-K229 WeakPolarHBondContact O-CE 3.19Å; H195-G233 PolarHBondContact CE1-N 3.46Å; H195-G233 WeakPolarHBondContact ND1-CA 3.26Å; H195-G233 PolarHBondContact ND1-N 3.08Å; H195-K236 PolarHBondContact NE2-NZ 3.16Å
196G83.9Confident91.3Very high10 Ų1022.1 Ų22.110%0.10311%0.113CC..THydrogen-bonded Turntrans-80.43.2177.200000115.9F192 N193 A194 K198F192-G196 PolarHBondContact O-N 3Å; N193-G196 CarbonylContact O-C 3.54Å; N193-G196 PolarHBondContact O-N 2.9Å; A194-G196 VanDerWaalsContact C-N 3.32Å; G196-K198 PolarHBondContact O-N 3.27Å
197E83.3Confident91.6Very high58 Ų5820.2 Ų20.227%0.27110%0.101SC..THydrogen-bonded Turntrans54.238-176.6-60.8-179.8-17800113.1A180 N193 A194 H195 K229 K325A180-E197 WeakPolarHBondContact CB-O 3.5Å; N193-E197 PolarHBondContact O-N 3.14Å; N193-E197 VanDerWaalsContact O-N 3.12Å; A194-E197 PolarHBondContact O-N 3.17Å; H195-E197 VanDerWaalsContact C-N 3.3Å; H195-E197 PolarHBondContact O-N 3.03Å; E197-K229 IonicContact OE1-NZ 3.5Å; E197-K229 PolarHBondContact OE1-NZ 2.9Å; E197-K325 WeakPolarHBondContact OE1-CE 3.5Å; E197-K325 IonicContact OE1-NZ 2.83Å; E197-K325 PolarHBondContact OE1-NZ 2.96Å; E197-K325 WeakPolarHBondContact OE2-CD 3.44Å; E197-K325 WeakPolarHBondContact OE2-CE 3.08Å; E197-K325 IonicContact OE2-NZ 3.16Å; E197-K325 PolarHBondContact OE2-NZ 2.85Å
198K84.5Confident91.8Very high61 Ų6118.1 Ų18.127%0.2659%0.091SC..PPolyproline II helixtrans-82.5158.5170.6-62.6-171.7175.6-168.90110.3N193 G196 L200 V332N193-K198 HydrophobicContact CB-CB 4.13Å; N193-K198 PolarHBondContact O-N 2.68Å; G196-K198 PolarHBondContact O-N 3.27Å; K198-L200 PolarHBondContact O-N 2.95Å; K198-V332 HydrophobicContact CD-CG1 4.33Å; K198-V332 VanDerWaalsContact NZ-CB 3.35Å
199S86.1Confident91.9Very high36 Ų3614.2 Ų14.225%0.2528%0.076SC..PPolyproline II helixtrans-59.6126.6167.5-62.40000109.2G179G179-S199 PolarHBondContact O-OG 3.04Å
200L89.6Confident92Very high25 Ų2513.5 Ų13.513%0.1317%0.073CC..PPolyproline II helixtrans-86.8147.2-179.3-56.7-176.9000110.8I136 R138 F183 N193 A194 K198 D204I136-L200 HydrophobicContact CD1-CB 3.89Å; R138-L200 HydrophobicContact CG-CD1 4.41Å; F183-L200 HydrophobicContact CD2-CD1 3.86Å; F183-L200 HydrophobicContact CE2-CD1 4.28Å; N193-L200 HydrophobicContact CB-CD2 3.96Å; A194-L200 HydrophobicContact CB-CD1 4.15Å; A194-L200 HydrophobicContact CB-CD2 3.9Å; K198-L200 PolarHBondContact O-N 2.95Å; L200-D204 WeakPolarHBondContact CA-OD2 3.12Å; L200-D204 HydrophobicContact CB-CB 4.27Å; L200-D204 HydrophobicContact CD2-CB 4.19Å
201G90.2Very high92.2Very high2 Ų213.4 Ų13.42%0.0217%0.072CC..  trans-128.7-173.9173.100000112.6H203 D204G201-H203 PolarHBondContact O-N 3.38Å; G201-D204 PolarHBondContact N-OD2 2.84Å; G201-D204 WeakPolarHBondContact O-CB 3.13Å; G201-D204 PolarHBondContact O-N 3.23Å
202M93.6Very high92.4Very high19 Ų1913.3 Ų13.39%0.0947%0.071CC..Hα-helixtrans-56.3-34.8180-66.2-178.9-77.500112.8H131 I136 Y168 L174 D204 D205 L206 V268H131-M202 HydrophobicContact CB-CG 4.05Å; H131-M202 HydrophobicContact CB-SD 3.71Å; H131-M202 PolarHBondContact CE1-O 2.94Å; I136-M202 HydrophobicContact CG2-CG 4.14Å; Y168-M202 HydrophobicContact CE1-CG 4.19Å; Y168-M202 HydrophobicContact CE2-CE 4.26Å; Y168-M202 HydrophobicContact CE2-CG 4.31Å; Y168-M202 HydrophobicContact CE2-SD 4.3Å; Y168-M202 PolarHBondContact OH-SD 2.9Å; Y168-M202 VanDerWaalsContact OH-SD 3.33Å; L174-M202 HydrophobicContact CD2-CE 3.73Å; M202-D204 PolarHBondContact O-N 3.05Å; M202-D205 PolarHBondContact O-N 2.92Å; M202-L206 PolarHBondContact O-N 2.83Å; M202-V268 HydrophobicContact CB-CB 4.48Å; M202-V268 HydrophobicContact CB-CG2 3.95Å
203H95.2Very high92.9Very high1 Ų112 Ų121%0.0057%0.065CC..Hα-helixtrans-65-26.6178.567.5-65.2000112.4N193 G201 L206 I207 L259 K262 S263 C264 V268N193-H203 PolarHBondContact ND2-NE2 2.88Å; N193-H203 VanDerWaalsContact ND2-NE2 3.13Å; G201-H203 PolarHBondContact O-N 3.38Å; H203-L206 PolarHBondContact O-N 3.19Å; H203-I207 VanDerWaalsContact O-CG1 3.24Å; H203-I207 WeakPolarHBondContact O-CG1 3.35Å; H203-I207 PolarHBondContact O-N 3.17Å; H203-L259 HydrophobicContact CB-CD2 4.23Å; H203-K262 HydrophobicContact CB-CB 3.79Å; H203-K262 HydrophobicContact CB-CD 4.01Å; H203-K262 PolarHBondContact NE2-O 2.74Å; H203-S263 PolarHBondContact CE1-O 3.39Å; H203-S263 PolarHBondContact ND1-O 2.75Å; H203-C264 PolarHBondContact CE1-N 3.36Å; H203-V268 HydrophobicContact CB-CG2 3.99Å
204D95.6Very high93.4Very high5 Ų511.4 Ų11.43%0.0276%0.062CC..Hα-helixtrans-72.5-34.9178.9-66.6-64.6000112.3S191 N193 L200 G201 M202 L206 A208S191-D204 WeakPolarHBondContact CB-OD1 2.96Å; S191-D204 PolarHBondContact OG-OD1 2.89Å; N193-D204 WeakPolarHBondContact CB-OD1 3.42Å; N193-D204 PolarHBondContact ND2-OD1 2.84Å; L200-D204 WeakPolarHBondContact CA-OD2 3.12Å; L200-D204 HydrophobicContact CB-CB 4.27Å; L200-D204 HydrophobicContact CD2-CB 4.19Å; G201-D204 PolarHBondContact N-OD2 2.84Å; G201-D204 WeakPolarHBondContact O-CB 3.13Å; G201-D204 PolarHBondContact O-N 3.23Å; M202-D204 PolarHBondContact O-N 3.05Å; D204-L206 VanDerWaalsContact C-N 3.35Å; D204-A208 WeakPolarHBondContact O-CB 3.12Å; D204-A208 PolarHBondContact O-N 3.23Å
205D97.4Very high93.8Very high5 Ų511.6 Ų11.63%0.0276%0.063CC..Hα-helixtrans-66.6-38.8171.8-77.8-24.1000111.3L127 H131 I136 H137 R138 V140 M202 A208 L209L127-D205 HydrophobicContact CD1-CB 4.35Å; L127-D205 HydrophobicContact CD2-CB 4.09Å; H131-D205 IonicContact NE2-OD2 2.95Å; H131-D205 PolarHBondContact NE2-OD2 3.19Å; I136-D205 VanDerWaalsContact CA-OD2 3.31Å; I136-D205 WeakPolarHBondContact CA-OD2 3.47Å; I136-D205 VanDerWaalsContact CB-OD2 3.28Å; I136-D205 WeakPolarHBondContact CB-OD2 3.28Å; H137-D205 PolarHBondContact N-OD2 3.41Å; R138-D205 WeakPolarHBondContact CA-OD1 3.36Å; R138-D205 PolarHBondContact N-OD1 3.25Å; V140-D205 HydrophobicContact CG2-CB 3.84Å; M202-D205 PolarHBondContact O-N 2.92Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 2.94Å; D205-L209 PolarHBondContact O-N 3.03Å
206L98.4Very high94.3Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-69.2-41.1175.8-68.1165.9000111.9V124 L127 M202 H203 D204 A208 L209 F210 L259 V268 I273V124-L206 HydrophobicContact CG1-CD2 4.48Å; V124-L206 HydrophobicContact CG2-CD2 4.26Å; L127-L206 HydrophobicContact CD1-CD2 3.85Å; L127-L206 HydrophobicContact CD1-CG 4.45Å; M202-L206 PolarHBondContact O-N 2.83Å; H203-L206 PolarHBondContact O-N 3.19Å; D204-L206 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 3.47Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 CarbonylContact O-C 3.59Å; L206-L209 WeakPolarHBondContact O-CA 3.18Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.22Å; L206-F210 VanDerWaalsContact O-CD2 3.26Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.07Å; L206-L259 HydrophobicContact CB-CD1 3.69Å; L206-L259 HydrophobicContact CB-CD2 4.21Å; L206-L259 HydrophobicContact CD1-CD2 4.03Å; L206-V268 HydrophobicContact CD1-CB 4.12Å; L206-V268 HydrophobicContact CD1-CG1 3.15Å; L206-V268 HydrophobicContact CD1-CG2 4.24Å; L206-I273 HydrophobicContact CD1-CD1 3.92Å
207I97.7Very high94.9Very high4 Ų412.4 Ų12.42%0.0216%0.063CC..Hα-helixtrans-56.5-43.4171.9-72.3163.1000110.5H203 L209 F210 Y211 Y256 L259 I260H203-I207 VanDerWaalsContact O-CG1 3.24Å; H203-I207 WeakPolarHBondContact O-CG1 3.35Å; H203-I207 PolarHBondContact O-N 3.17Å; I207-L209 VanDerWaalsContact C-N 3.32Å; I207-L209 PolarHBondContact O-N 3.02Å; I207-F210 PolarHBondContact O-N 3.14Å; I207-Y211 HydrophobicContact CG2-CD2 4.23Å; I207-Y211 HydrophobicContact CG2-CE1 4.33Å; I207-Y211 HydrophobicContact CG2-CE2 3.55Å; I207-Y211 PolarHBondContact O-N 3.3Å; I207-Y256 HydrophobicContact CG2-CE2 4.27Å; I207-L259 HydrophobicContact CG1-CB 3.98Å; I207-I260 HydrophobicContact CD1-CG2 4.32Å; I207-I260 HydrophobicContact CG1-CG2 4.38Å
208A98.1Very high95.5Very high6 Ų614.3 Ų14.35%0.057%0.067CC..Hα-helixtrans-65.5-34.3176.100000112.7V140 Y189 D204 D205 L206 Y211 T212V140-A208 HydrophobicContact CB-CB 3.79Å; V140-A208 HydrophobicContact CG1-CB 4.29Å; Y189-A208 VanDerWaalsContact O-CA 3.24Å; Y189-A208 WeakPolarHBondContact O-CA 3.28Å; Y189-A208 WeakPolarHBondContact O-CB 3.46Å; D204-A208 WeakPolarHBondContact O-CB 3.12Å; D204-A208 PolarHBondContact O-N 3.23Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 2.94Å; L206-A208 PolarHBondContact O-N 3.47Å; A208-Y211 PolarHBondContact O-N 2.86Å; A208-T212 WeakPolarHBondContact O-CB 3.49Å; A208-T212 PolarHBondContact O-N 3.07Å; A208-T212 PolarHBondContact O-OG1 3.18Å
209L98.7Very high96.1Very high0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-63.2-44.7169.9178.559.9000111.3C123 V124 L127 V140 D205 L206 I207 Y211 T212 L213C123-L209 HydrophobicContact CB-CD1 3.48Å; C123-L209 VanDerWaalsContact CB-CD1 3.48Å; C123-L209 HydrophobicContact CB-CD2 3.77Å; C123-L209 HydrophobicContact CB-CG 4.29Å; V124-L209 HydrophobicContact CG2-CD2 3.59Å; L127-L209 HydrophobicContact CD1-CB 4.17Å; L127-L209 HydrophobicContact CD1-CD2 3.97Å; V140-L209 HydrophobicContact CG1-CB 4Å; D205-L209 PolarHBondContact O-N 3.03Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 CarbonylContact O-C 3.59Å; L206-L209 WeakPolarHBondContact O-CA 3.18Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.22Å; I207-L209 VanDerWaalsContact C-N 3.32Å; I207-L209 PolarHBondContact O-N 3.02Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.85Å; L209-T212 CarbonylContact O-C 3.48Å; L209-T212 WeakPolarHBondContact O-CA 3.42Å; L209-T212 WeakPolarHBondContact O-CB 3.32Å; L209-T212 PolarHBondContact O-N 3.08Å; L209-L213 HydrophobicContact CD1-CD1 4.42Å; L209-L213 HydrophobicContact CD1-CD2 4.29Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 4.15Å; L209-L213 HydrophobicContact CG-CG 4.26Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.34Å
210F98.5Very high96.5Very high2 Ų217 Ų171%0.0098%0.083CC..Hα-helixtrans-61.5-39.1177.3-87.5-85.9000112.5L206 I207 T212 L213 A214 F245 I252 I255 Y256 L259 F277L206-F210 VanDerWaalsContact O-CD2 3.26Å; L206-F210 WeakPolarHBondContact O-CD2 3.34Å; L206-F210 PolarHBondContact O-N 3.07Å; I207-F210 PolarHBondContact O-N 3.14Å; F210-T212 VanDerWaalsContact C-N 3.32Å; F210-L213 PolarHBondContact O-N 2.97Å; F210-A214 VanDerWaalsContact O-CB 3.27Å; F210-A214 WeakPolarHBondContact O-CB 3.32Å; F210-A214 PolarHBondContact O-N 3.45Å; F210-F245 HydrophobicContact CB-CE1 4.2Å; F210-F245 HydrophobicContact CB-CZ 4.19Å; F210-F245 AromaticContact CD1-CE1 4Å; F210-F245 HydrophobicContact CD1-CE1 4Å; F210-F245 HydrophobicContact CD1-CZ 4.17Å; F210-I252 HydrophobicContact CE1-CG2 3.75Å; F210-I252 WeakPolarHBondContact CE1-O 3.49Å; F210-I255 HydrophobicContact CE1-CB 4.4Å; F210-I255 HydrophobicContact CE2-CB 4.4Å; F210-I255 HydrophobicContact CE2-CG2 3.69Å; F210-I255 HydrophobicContact CZ-CB 3.69Å; F210-I255 HydrophobicContact CZ-CG2 3.44Å; F210-I255 VanDerWaalsContact CZ-CG2 3.44Å; F210-Y256 HydrophobicContact CB-CD2 3.76Å; F210-Y256 HydrophobicContact CB-CG 4.48Å; F210-Y256 HydrophobicContact CG-CD2 4.1Å; F210-Y256 HydrophobicContact CG-CG 4.47Å; F210-L259 HydrophobicContact CD2-CD1 3.64Å; F210-L259 HydrophobicContact CE2-CD1 3.45Å; F210-L259 VanDerWaalsContact CE2-CD1 3.45Å; F210-L259 HydrophobicContact CZ-CD1 4.47Å; F210-F277 HydrophobicContact CE1-CZ 4.44Å; F210-F277 HydrophobicContact CZ-CE2 4.1Å; F210-F277 HydrophobicContact CZ-CZ 4.31Å
211Y98.2Very high96.8Very high4 Ų416 Ų162%0.0168%0.077CC..Hα-helixtrans-66-35.4171.3-60.2-25.1000112.5Y189 I207 A208 L209 E215 W223 K236 M244 Y256Y189-Y211 VanDerWaalsContact O-CD2 3.31Å; Y189-Y211 WeakPolarHBondContact O-CD2 3.37Å; I207-Y211 HydrophobicContact CG2-CD2 4.23Å; I207-Y211 HydrophobicContact CG2-CE1 4.33Å; I207-Y211 HydrophobicContact CG2-CE2 3.55Å; I207-Y211 PolarHBondContact O-N 3.3Å; A208-Y211 PolarHBondContact O-N 2.86Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.85Å; Y211-E215 PolarHBondContact O-N 3.4Å; Y211-W223 AromaticContact CD1-CH2 3.64Å; Y211-W223 HydrophobicContact CD1-CH2 3.64Å; Y211-W223 AromaticContact CD1-CZ2 3.91Å; Y211-W223 HydrophobicContact CD1-CZ2 3.91Å; Y211-W223 HydrophobicContact CD2-CH2 4.32Å; Y211-W223 AromaticContact CD2-CZ2 3.93Å; Y211-W223 HydrophobicContact CD2-CZ2 3.93Å; Y211-W223 AromaticContact CE1-CH2 3.58Å; Y211-W223 HydrophobicContact CE1-CH2 3.58Å; Y211-W223 HydrophobicContact CE1-CZ2 4.16Å; Y211-W223 HydrophobicContact CE2-CH2 4.28Å; Y211-W223 HydrophobicContact CE2-CZ2 4.18Å; Y211-W223 HydrophobicContact CG-CH2 4.03Å; Y211-W223 AromaticContact CG-CZ2 3.81Å; Y211-W223 HydrophobicContact CG-CZ2 3.81Å; Y211-W223 AromaticContact CZ-CH2 3.93Å; Y211-K236 HydrophobicContact CE2-CD 4.38Å; Y211-M244 HydrophobicContact CD1-SD 3.66Å; Y211-M244 HydrophobicContact CE1-CE 4.04Å; Y211-M244 HydrophobicContact CE1-SD 3.52Å; Y211-M244 VanDerWaalsContact CE1-SD 3.52Å; Y211-Y256 HydrophobicContact CD1-CE2 4.32Å; Y211-Y256 AromaticContact CE1-CE2 3.51Å; Y211-Y256 HydrophobicContact CE1-CE2 3.51Å; Y211-Y256 AromaticContact CE1-CZ 3.81Å; Y211-Y256 WeakPolarHBondContact CE1-OH 3.19Å; Y211-Y256 PolarHBondContact OH-OH 3.36Å; Y211-Y256 VanDerWaalsContact OH-OH 3.07Å
212T98.5Very high97Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-61.7-52.5173.4-64.70000110.6K141 P142 A208 L209 F210 A214 E215 L216K141-T212 WeakPolarHBondContact CA-OG1 3.25Å; P142-T212 HydrophobicContact CB-CG2 4.17Å; P142-T212 HydrophobicContact CG-CG2 3.72Å; A208-T212 WeakPolarHBondContact O-CB 3.49Å; A208-T212 PolarHBondContact O-N 3.07Å; A208-T212 PolarHBondContact O-OG1 3.18Å; L209-T212 CarbonylContact O-C 3.48Å; L209-T212 WeakPolarHBondContact O-CA 3.42Å; L209-T212 WeakPolarHBondContact O-CB 3.32Å; L209-T212 PolarHBondContact O-N 3.08Å; F210-T212 VanDerWaalsContact C-N 3.32Å; T212-A214 VanDerWaalsContact C-N 3.35Å; T212-A214 PolarHBondContact O-N 3.48Å; T212-E215 PolarHBondContact O-N 3.34Å; T212-L216 HydrophobicContact CG2-CD1 4.06Å; T212-L216 HydrophobicContact CG2-CG 4.43Å; T212-L216 WeakPolarHBondContact O-CB 3.19Å; T212-L216 VanDerWaalsContact O-CG 3.26Å; T212-L216 WeakPolarHBondContact O-CG 3.46Å; T212-L216 PolarHBondContact O-N 3.24Å
213L98.6Very high97.1Very high1 Ų117 Ų171%0.0059%0.085CC..Hα-helixtrans-61.1-41.9178.5-62.5176.2000111.9I116 I119 L209 F210 L216 Y217 M248 F277I116-L213 HydrophobicContact CG2-CB 4.22Å; I116-L213 HydrophobicContact CG2-CD2 4.3Å; I119-L213 HydrophobicContact CB-CD2 4.36Å; I119-L213 HydrophobicContact CG2-CD2 3.78Å; L209-L213 HydrophobicContact CD1-CD1 4.42Å; L209-L213 HydrophobicContact CD1-CD2 4.29Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CG-CD1 4.15Å; L209-L213 HydrophobicContact CG-CG 4.26Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.34Å; F210-L213 PolarHBondContact O-N 2.97Å; L213-L216 PolarHBondContact O-N 3.29Å; L213-Y217 WeakPolarHBondContact O-CB 3.37Å; L213-Y217 PolarHBondContact O-N 3.48Å; L213-M248 HydrophobicContact CB-CE 4.49Å; L213-F277 HydrophobicContact CD1-CE1 3.96Å; L213-F277 HydrophobicContact CD1-CZ 3.74Å
214A98.2Very high97Very high0 Ų018.5 Ų18.50%010%0.095CC..Hα-helixtrans-59.8-46.517500000112F210 T212 L216 Y217 R218 L221 M244 F245F210-A214 VanDerWaalsContact O-CB 3.27Å; F210-A214 WeakPolarHBondContact O-CB 3.32Å; F210-A214 PolarHBondContact O-N 3.45Å; T212-A214 VanDerWaalsContact C-N 3.35Å; T212-A214 PolarHBondContact O-N 3.48Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.27Å; A214-Y217 PolarHBondContact O-N 3.28Å; A214-R218 VanDerWaalsContact O-CB 3.25Å; A214-R218 WeakPolarHBondContact O-CB 3.32Å; A214-R218 WeakPolarHBondContact O-CG 3.45Å; A214-R218 PolarHBondContact O-N 3Å; A214-L221 HydrophobicContact CB-CD2 3.96Å; A214-M244 HydrophobicContact CB-CG 4.17Å; A214-F245 HydrophobicContact CB-CD1 3.87Å; A214-F245 HydrophobicContact CB-CE1 3.9Å
215E97.8Very high96.7Very high4 Ų422 Ų222%0.01913%0.133CC..Hα-helixtrans-64.9-39.9176.6-161.5-174.7-11600111.8R103 R188 Y189 Y211 T212 Y217 G219 L221R103-E215 IonicContact NH2-OE2 2.82Å; R188-E215 WeakPolarHBondContact CD-OE1 3.38Å; R188-E215 IonicContact CZ-OE1 3.92Å; R188-E215 IonicContact NH1-OE1 3.36Å; R188-E215 PolarHBondContact NH1-OE1 3.33Å; Y189-E215 PolarHBondContact OH-OE2 3.12Å; Y211-E215 PolarHBondContact O-N 3.4Å; T212-E215 PolarHBondContact O-N 3.34Å; E215-Y217 VanDerWaalsContact C-N 3.27Å; E215-Y217 PolarHBondContact O-N 2.93Å; E215-G219 CarbonylContact O-C 3.56Å; E215-G219 WeakPolarHBondContact O-CA 3.22Å; E215-G219 PolarHBondContact O-N 2.99Å; E215-L221 HydrophobicContact CB-CD1 4.2Å; E215-L221 HydrophobicContact CB-CD2 4.42Å; E215-L221 HydrophobicContact CB-CG 3.91Å; E215-L221 HydrophobicContact CG-CG 4.21Å
216L97.9Very high96.4Very high0 Ų024.8 Ų24.80%015%0.147CC..Hα-helixtrans-61.5-36.9177.5-69.5178.3000112.3L99 R103 R110 F111 I116 I119 P142 T212 L213 A214L99-L216 HydrophobicContact CB-CD1 4.38Å; L99-L216 HydrophobicContact CB-CD2 4.26Å; L99-L216 HydrophobicContact CD1-CD1 4.03Å; R103-L216 HydrophobicContact CB-CD2 3.92Å; R103-L216 HydrophobicContact CG-CD2 4.25Å; R110-L216 CarbonylContact C-O 3.56Å; R110-L216 WeakPolarHBondContact CA-O 3.5Å; F111-L216 HydrophobicContact CD2-CB 4.11Å; F111-L216 HydrophobicContact CD2-CD2 4.25Å; F111-L216 HydrophobicContact CE2-CD2 3.93Å; F111-L216 PolarHBondContact N-O 3.44Å; I116-L216 HydrophobicContact CD1-CB 3.38Å; I119-L216 HydrophobicContact CD1-CD1 4.24Å; I119-L216 HydrophobicContact CG2-CD1 4.18Å; P142-L216 HydrophobicContact CB-CD2 3.98Å; P142-L216 HydrophobicContact CG-CD2 4.23Å; P142-L216 HydrophobicContact CG-CG 4.49Å; T212-L216 HydrophobicContact CG2-CD1 4.06Å; T212-L216 HydrophobicContact CG2-CG 4.43Å; T212-L216 WeakPolarHBondContact O-CB 3.19Å; T212-L216 VanDerWaalsContact O-CG 3.26Å; T212-L216 WeakPolarHBondContact O-CG 3.46Å; T212-L216 PolarHBondContact O-N 3.24Å; L213-L216 PolarHBondContact O-N 3.29Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.27Å
217Y97.5Very high95.9Very high27 Ų2732.9 Ų32.911%0.10619%0.185CC..Hα-helixtrans-85.4-44.7-178.2-175.1-122.3000113.9R110 F111 I113 I116 L213 A214 E215 D247 M248R110-Y217 WeakPolarHBondContact CB-O 3.46Å; R110-Y217 WeakPolarHBondContact CD-O 3.14Å; F111-Y217 WeakPolarHBondContact O-CD2 3.48Å; I113-Y217 HydrophobicContact CB-CE2 3.84Å; I113-Y217 HydrophobicContact CD1-CE2 4.26Å; I116-Y217 HydrophobicContact CG1-CD2 3.89Å; I116-Y217 HydrophobicContact CG1-CG 4.25Å; L213-Y217 WeakPolarHBondContact O-CB 3.37Å; L213-Y217 PolarHBondContact O-N 3.48Å; A214-Y217 PolarHBondContact O-N 3.28Å; E215-Y217 VanDerWaalsContact C-N 3.27Å; E215-Y217 PolarHBondContact O-N 2.93Å; Y217-D247 WeakPolarHBondContact CE1-OD1 3.25Å; Y217-D247 VanDerWaalsContact CZ-OD1 3.27Å; Y217-D247 VanDerWaalsContact OH-CG 3.24Å; Y217-D247 PolarHBondContact OH-OD1 2.85Å; Y217-D247 PolarHBondContact OH-OD2 2.75Å; Y217-M248 HydrophobicContact CD1-CE 3.56Å; Y217-M248 HydrophobicContact CD1-CG 3.57Å; Y217-M248 HydrophobicContact CD1-SD 4.38Å; Y217-M248 HydrophobicContact CE1-CG 3.71Å; Y217-M248 HydrophobicContact CG-CE 3.57Å; Y217-M248 HydrophobicContact CG-CG 4.35Å
218R96.2Very high95.4Very high98 Ų9834.6 Ų34.637%0.3720%0.204SC..Hα-helixtrans-86.2-18.7-176.1-59.2-63.1-651542.1112.6A214 Q220 M244A214-R218 VanDerWaalsContact O-CB 3.25Å; A214-R218 WeakPolarHBondContact O-CB 3.32Å; A214-R218 WeakPolarHBondContact O-CG 3.45Å; A214-R218 PolarHBondContact O-N 3Å; R218-Q220 PolarHBondContact O-N 3.21Å; R218-M244 WeakPolarHBondContact CG-O 3.31Å
219G95.6Very high94.8Very high20 Ų2036.4 Ų36.421%0.20621%0.211CC..SBendtrans84.5-19.1-17400000114R103 E215R103-G219 PolarHBondContact NH1-O 3.36Å; E215-G219 CarbonylContact O-C 3.56Å; E215-G219 WeakPolarHBondContact O-CA 3.22Å; E215-G219 PolarHBondContact O-N 2.99Å
220Q94.7Very high94.3Very high135 Ų13540.4 Ų40.463%0.63123%0.227SC*.SBendtrans-153156.1177.566-178.31100111.7R218R218-Q220 PolarHBondContact O-N 3.21Å
221L96Very high93.9Very high3 Ų345.5 Ų45.52%0.01625%0.25CS..  trans-95153.5167.3-70.2164.6000111.2R188 Y189 A214 E215 W223 S224R188-L221 HydrophobicContact CG-CD1 4.03Å; Y189-L221 HydrophobicContact CD1-CD1 4.33Å; Y189-L221 HydrophobicContact CE1-CD1 4.27Å; A214-L221 HydrophobicContact CB-CD2 3.96Å; E215-L221 HydrophobicContact CB-CD1 4.2Å; E215-L221 HydrophobicContact CB-CD2 4.42Å; E215-L221 HydrophobicContact CB-CG 3.91Å; E215-L221 HydrophobicContact CG-CG 4.21Å; L221-W223 HydrophobicContact CB-CD2 4.26Å; L221-W223 HydrophobicContact CB-CZ2 4.21Å; L221-W223 HydrophobicContact CD1-CZ2 3.85Å; L221-W223 HydrophobicContact CD2-CH2 4.2Å; L221-W223 HydrophobicContact CD2-CZ2 3.93Å; L221-W223 HydrophobicContact CG-CZ2 4.22Å; L221-W223 PolarHBondContact O-N 3.16Å; L221-W223 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact N-OG 3.21Å; L221-S224 VanDerWaalsContact O-CB 3.25Å; L221-S224 WeakPolarHBondContact O-CB 3.41Å; L221-S224 PolarHBondContact O-N 3.45Å; L221-S224 PolarHBondContact O-OG 3.22Å
222P95.7Very high93.7Very high41 Ų4146 Ų4627%0.26625%0.253SS..THydrogen-bonded Turntrans-55.1-30.3179.1-27.835.7000114.2A239 E243 M244P222-A239 HydrophobicContact CB-CB 4.36Å; P222-A239 HydrophobicContact CG-CB 4.47Å; P222-E243 HydrophobicContact CG-CG 4.18Å; P222-M244 HydrophobicContact CG-CB 4.08Å
223W95.5Very high93.3Very high2 Ų246 Ų461%0.00825%0.253CS..THydrogen-bonded Turntrans-96.817.2179.45678.9000114.1R188 Y211 L221 G225 N226 L232 A235 K236 A239 M244R188-W223 PolarHBondContact O-NE1 3.29Å; Y211-W223 AromaticContact CD1-CH2 3.64Å; Y211-W223 HydrophobicContact CD1-CH2 3.64Å; Y211-W223 AromaticContact CD1-CZ2 3.91Å; Y211-W223 HydrophobicContact CD1-CZ2 3.91Å; Y211-W223 HydrophobicContact CD2-CH2 4.32Å; Y211-W223 AromaticContact CD2-CZ2 3.93Å; Y211-W223 HydrophobicContact CD2-CZ2 3.93Å; Y211-W223 AromaticContact CE1-CH2 3.58Å; Y211-W223 HydrophobicContact CE1-CH2 3.58Å; Y211-W223 HydrophobicContact CE1-CZ2 4.16Å; Y211-W223 HydrophobicContact CE2-CH2 4.28Å; Y211-W223 HydrophobicContact CE2-CZ2 4.18Å; Y211-W223 HydrophobicContact CG-CH2 4.03Å; Y211-W223 AromaticContact CG-CZ2 3.81Å; Y211-W223 HydrophobicContact CG-CZ2 3.81Å; Y211-W223 AromaticContact CZ-CH2 3.93Å; L221-W223 HydrophobicContact CB-CD2 4.26Å; L221-W223 HydrophobicContact CB-CZ2 4.21Å; L221-W223 HydrophobicContact CD1-CZ2 3.85Å; L221-W223 HydrophobicContact CD2-CH2 4.2Å; L221-W223 HydrophobicContact CD2-CZ2 3.93Å; L221-W223 HydrophobicContact CG-CZ2 4.22Å; L221-W223 PolarHBondContact O-N 3.16Å; L221-W223 VanDerWaalsContact O-N 3.08Å; W223-G225 PolarHBondContact O-N 2.96Å; W223-G225 VanDerWaalsContact O-N 3.16Å; W223-N226 WeakPolarHBondContact CA-OD1 3.15Å; W223-N226 HydrophobicContact CB-CB 4.45Å; W223-N226 PolarHBondContact O-N 2.77Å; W223-L232 HydrophobicContact CB-CD2 4.11Å; W223-L232 VanDerWaalsContact CD1-CD2 3.46Å; W223-L232 HydrophobicContact CG-CD2 4.04Å; W223-A235 HydrophobicContact CB-CB 3.58Å; W223-K236 HydrophobicContact CD2-CD 4.48Å; W223-K236 HydrophobicContact CD2-CG 3.55Å; W223-K236 HydrophobicContact CE3-CB 4.36Å; W223-K236 HydrophobicContact CE3-CG 3.58Å; W223-K236 HydrophobicContact CG-CG 4.21Å; W223-K236 HydrophobicContact CH2-CG 3.85Å; W223-K236 HydrophobicContact CZ2-CD 4.26Å; W223-K236 HydrophobicContact CZ2-CG 3.82Å; W223-K236 HydrophobicContact CZ3-CB 4.38Å; W223-K236 HydrophobicContact CZ3-CG 3.74Å; W223-A239 HydrophobicContact CE3-CB 4Å; W223-A239 HydrophobicContact CZ3-CB 3.76Å; W223-M244 HydrophobicContact CH2-SD 3.52Å; W223-M244 VanDerWaalsContact CH2-SD 3.52Å; W223-M244 HydrophobicContact CZ3-SD 3.8Å
224S91.3Very high93Very high32 Ų3247.3 Ų47.322%0.22426%0.26CS..THydrogen-bonded Turntrans-61-26-175.4-66.40000114R188 L221R188-S224 PolarHBondContact NH1-OG 3.5Å; R188-S224 PolarHBondContact NH2-O 2.68Å; L221-S224 PolarHBondContact N-OG 3.21Å; L221-S224 VanDerWaalsContact O-CB 3.25Å; L221-S224 WeakPolarHBondContact O-CB 3.41Å; L221-S224 PolarHBondContact O-N 3.45Å; L221-S224 PolarHBondContact O-OG 3.22Å
225G90.3Very high92.7Very high79 Ų7948.3 Ų48.381%0.81427%0.268SS*.THydrogen-bonded Turntrans-912.8175.800000114.8W223W223-G225 PolarHBondContact O-N 2.96Å; W223-G225 VanDerWaalsContact O-N 3.16Å
226N90.6Very high92.5Very high63 Ų6348.7 Ų48.734%0.33727%0.27SS..  trans-95.9141.7177.6-61.9108.2000111.5W223 H231 L232 A235W223-N226 WeakPolarHBondContact CA-OD1 3.15Å; W223-N226 HydrophobicContact CB-CB 4.45Å; W223-N226 PolarHBondContact O-N 2.77Å; N226-H231 HydrophobicContact CB-CB 4.46Å; N226-L232 HydrophobicContact CB-CD2 3.98Å; N226-L232 HydrophobicContact CB-CG 4.22Å; N226-L232 WeakPolarHBondContact O-CD2 3.37Å; N226-A235 WeakPolarHBondContact OD1-CB 3.42Å
227E88Confident92.1Very high169 Ų16949.9 Ų49.979%0.7928%0.276SS*.  trans-122.9153175.5-64.4-168.5168.800112.2
228G87.4Confident91.8Very high41 Ų4156.7 Ų56.742%0.42331%0.306SS..SBendtrans80.5149.717900000114.3Y230 H231 L232G228-Y230 VanDerWaalsContact C-N 3.29Å; G228-Y230 PolarHBondContact O-N 3.39Å; G228-H231 PolarHBondContact O-N 2.94Å; G228-L232 WeakPolarHBondContact O-CB 3.31Å; G228-L232 PolarHBondContact O-N 3.15Å; G228-L232 VanDerWaalsContact O-N 3.11Å
229K86.3Confident91.6Very high43 Ų4353.1 Ų53.119%0.18730%0.298CS..Hα-helixtrans-56.5-38.8-172.1-176.3172.4178.41790113.5L187 H195 E197 G233 W324L187-K229 HydrophobicContact CD1-CB 3.94Å; L187-K229 HydrophobicContact CD2-CB 4.13Å; L187-K229 HydrophobicContact CD2-CD 4.37Å; L187-K229 HydrophobicContact CD2-CG 3.96Å; H195-K229 PolarHBondContact CE1-O 3.32Å; H195-K229 PolarHBondContact ND1-O 2.94Å; H195-K229 WeakPolarHBondContact O-CE 3.19Å; E197-K229 IonicContact OE1-NZ 3.5Å; E197-K229 PolarHBondContact OE1-NZ 2.9Å; K229-G233 PolarHBondContact O-N 3.02Å; K229-G233 VanDerWaalsContact O-N 3.16Å; K229-W324 HydrophobicContact CD-CH2 3.83Å; K229-W324 HydrophobicContact CG-CH2 4.22Å
230Y87.2Confident91.5Very high85 Ų8556 Ų5633%0.33331%0.308SS..Hα-helixtrans-71-53-177.4177.5-105.1000112.3G228 G233 L234 W324 L328G228-Y230 VanDerWaalsContact C-N 3.29Å; G228-Y230 PolarHBondContact O-N 3.39Å; Y230-G233 PolarHBondContact O-N 3.24Å; Y230-L234 HydrophobicContact CD1-CD1 4.14Å; Y230-L234 HydrophobicContact CE1-CD1 3.47Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.47Å; Y230-L234 HydrophobicContact CE1-CG 4.44Å; Y230-L234 HydrophobicContact CE2-CD1 3.97Å; Y230-L234 HydrophobicContact CE2-CG 4.28Å; Y230-L234 PolarHBondContact O-N 3.39Å; Y230-W324 HydrophobicContact CD2-CB 4.04Å; Y230-W324 HydrophobicContact CD2-CD2 4.41Å; Y230-W324 HydrophobicContact CD2-CE3 4.1Å; Y230-W324 HydrophobicContact CD2-CG 4.43Å; Y230-W324 HydrophobicContact CE2-CB 4.06Å; Y230-L328 HydrophobicContact CD2-CD1 4.1Å; Y230-L328 HydrophobicContact CD2-CG 4.44Å
231H91.2Very high91.5Very high109 Ų10951.3 Ų51.351%0.50529%0.289SS..Hα-helixtrans-66.9-41.7-177-62.2-70.7000112.2N226 G228 G233 L234 A235N226-H231 HydrophobicContact CB-CB 4.46Å; G228-H231 PolarHBondContact O-N 2.94Å; H231-G233 VanDerWaalsContact C-N 3.32Å; H231-G233 PolarHBondContact O-N 2.66Å; H231-L234 PolarHBondContact O-N 3.44Å; H231-A235 VanDerWaalsContact O-CB 3.32Å; H231-A235 WeakPolarHBondContact O-CB 3.31Å; H231-A235 PolarHBondContact O-N 3.47Å
232L92.6Very high91.3Very high13 Ų1356.5 Ų56.57%0.06832%0.317CS..Hα-helixtrans-59.6-42.4172.7-78.4166.5000112L187 W223 N226 G228 A235 K236L187-L232 HydrophobicContact CB-CD1 3.73Å; W223-L232 HydrophobicContact CB-CD2 4.11Å; W223-L232 VanDerWaalsContact CD1-CD2 3.46Å; W223-L232 HydrophobicContact CG-CD2 4.04Å; N226-L232 HydrophobicContact CB-CD2 3.98Å; N226-L232 HydrophobicContact CB-CG 4.22Å; N226-L232 WeakPolarHBondContact O-CD2 3.37Å; G228-L232 WeakPolarHBondContact O-CB 3.31Å; G228-L232 PolarHBondContact O-N 3.15Å; G228-L232 VanDerWaalsContact O-N 3.11Å; L232-A235 PolarHBondContact O-N 2.77Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 VanDerWaalsContact O-CG 3.3Å; L232-K236 WeakPolarHBondContact O-CG 3.46Å; L232-K236 PolarHBondContact O-N 3.39Å
233G91.1Very high91.2Very high0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-64.2-42.8178.900000112.6F192 H195 K229 Y230 H231 L237F192-G233 WeakPolarHBondContact CD2-O 3.17Å; F192-G233 WeakPolarHBondContact CE2-O 3.34Å; H195-G233 PolarHBondContact CE1-N 3.46Å; H195-G233 WeakPolarHBondContact ND1-CA 3.26Å; H195-G233 PolarHBondContact ND1-N 3.08Å; K229-G233 PolarHBondContact O-N 3.02Å; K229-G233 VanDerWaalsContact O-N 3.16Å; Y230-G233 PolarHBondContact O-N 3.24Å; H231-G233 VanDerWaalsContact C-N 3.32Å; H231-G233 PolarHBondContact O-N 2.66Å; G233-L237 PolarHBondContact O-N 2.98Å; G233-L237 VanDerWaalsContact O-N 3.11Å
234L91.4Very high91.2Very high30 Ų3060.2 Ų60.216%0.15733%0.331CS..Hα-helixtrans-67.1-42.4175.3-73.9-178.1000112.6Y230 H231 K236 L237 K238 L328 L331Y230-L234 HydrophobicContact CD1-CD1 4.14Å; Y230-L234 HydrophobicContact CE1-CD1 3.47Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.47Å; Y230-L234 HydrophobicContact CE1-CG 4.44Å; Y230-L234 HydrophobicContact CE2-CD1 3.97Å; Y230-L234 HydrophobicContact CE2-CG 4.28Å; Y230-L234 PolarHBondContact O-N 3.39Å; H231-L234 PolarHBondContact O-N 3.44Å; L234-K236 VanDerWaalsContact C-N 3.34Å; L234-K236 PolarHBondContact O-N 3.43Å; L234-L237 PolarHBondContact O-N 3.11Å; L234-K238 WeakPolarHBondContact O-CG 3.49Å; L234-K238 PolarHBondContact O-N 3.07Å; L234-K238 VanDerWaalsContact O-N 3.08Å; L234-L328 HydrophobicContact CD2-CD2 3.65Å; L234-L328 HydrophobicContact CG-CD2 4.22Å; L234-L331 HydrophobicContact CD2-CD1 4.26Å
235A93.2Very high91.4Very high21 Ų2158.8 Ų58.817%0.17432%0.32CS..Hα-helixtrans-61.1-45178.200000110.7W223 N226 H231 L232 L237 K238 A239W223-A235 HydrophobicContact CB-CB 3.58Å; N226-A235 WeakPolarHBondContact OD1-CB 3.42Å; H231-A235 VanDerWaalsContact O-CB 3.32Å; H231-A235 WeakPolarHBondContact O-CB 3.31Å; H231-A235 PolarHBondContact O-N 3.47Å; L232-A235 PolarHBondContact O-N 2.77Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.15Å; A235-K238 CarbonylContact O-C 3.59Å; A235-K238 PolarHBondContact O-N 3.43Å; A235-A239 WeakPolarHBondContact O-CB 3.18Å; A235-A239 PolarHBondContact O-N 2.87Å
236K93.5Very high91.7Very high11 Ų1156.3 Ų56.35%0.04830%0.295CS..Hα-helixtrans-60-38.7173.5-74.8171.9179.81780113.7L187 R188 A190 H195 Y211 W223 L232 L234 K238L187-K236 PolarHBondContact O-NZ 2.88Å; R188-K236 WeakPolarHBondContact O-CE 3.32Å; R188-K236 PolarHBondContact O-NZ 3.43Å; A190-K236 PolarHBondContact O-NZ 3.38Å; H195-K236 PolarHBondContact NE2-NZ 3.16Å; Y211-K236 HydrophobicContact CE2-CD 4.38Å; W223-K236 HydrophobicContact CD2-CD 4.48Å; W223-K236 HydrophobicContact CD2-CG 3.55Å; W223-K236 HydrophobicContact CE3-CB 4.36Å; W223-K236 HydrophobicContact CE3-CG 3.58Å; W223-K236 HydrophobicContact CG-CG 4.21Å; W223-K236 HydrophobicContact CH2-CG 3.85Å; W223-K236 HydrophobicContact CZ2-CD 4.26Å; W223-K236 HydrophobicContact CZ2-CG 3.82Å; W223-K236 HydrophobicContact CZ3-CB 4.38Å; W223-K236 HydrophobicContact CZ3-CG 3.74Å; L232-K236 WeakPolarHBondContact O-CB 3.48Å; L232-K236 VanDerWaalsContact O-CG 3.3Å; L232-K236 WeakPolarHBondContact O-CG 3.46Å; L232-K236 PolarHBondContact O-N 3.39Å; L234-K236 VanDerWaalsContact C-N 3.34Å; L234-K236 PolarHBondContact O-N 3.43Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.5Å
237L88.6Confident91.9Very high25 Ų2558.8 Ų58.813%0.13131%0.308CS..Hα-helixtrans-67-33179.1-174.666.5000112.2F192 G233 L234 A235 L331 K335F192-L237 HydrophobicContact CD1-CD1 4.23Å; F192-L237 HydrophobicContact CD2-CB 4.34Å; F192-L237 HydrophobicContact CE1-CD1 3.65Å; F192-L237 HydrophobicContact CE2-CB 3.88Å; F192-L237 HydrophobicContact CE2-CD1 4.19Å; F192-L237 HydrophobicContact CE2-CD2 4.33Å; F192-L237 HydrophobicContact CE2-CG 4.36Å; F192-L237 HydrophobicContact CZ-CB 4.17Å; F192-L237 HydrophobicContact CZ-CD1 3.71Å; F192-L237 HydrophobicContact CZ-CD2 3.89Å; F192-L237 HydrophobicContact CZ-CG 4.13Å; G233-L237 PolarHBondContact O-N 2.98Å; G233-L237 VanDerWaalsContact O-N 3.11Å; L234-L237 PolarHBondContact O-N 3.11Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-L237 PolarHBondContact O-N 3.15Å; L237-L331 HydrophobicContact CD2-CB 3.86Å; L237-L331 HydrophobicContact CD2-CD1 3.9Å; L237-L331 HydrophobicContact CD2-CG 4.36Å; L237-K335 HydrophobicContact CD1-CD 3.68Å; L237-K335 VanDerWaalsContact CD1-CE 3.44Å; L237-K335 HydrophobicContact CD1-CG 4.48Å; L237-K335 PolarHBondContact O-NZ 3.43Å
238K91.1Very high92.3Very high171 Ų17151.4 Ų51.474%0.74327%0.274SS*.Hα-helixtrans-92.4-17.9-178.5-68-177.7179.4-1720113.9L234 A235 K236 D240L234-K238 WeakPolarHBondContact O-CG 3.49Å; L234-K238 PolarHBondContact O-N 3.07Å; L234-K238 VanDerWaalsContact O-N 3.08Å; A235-K238 CarbonylContact O-C 3.59Å; A235-K238 PolarHBondContact O-N 3.43Å; K236-K238 VanDerWaalsContact C-N 3.28Å; K236-K238 PolarHBondContact O-N 3.5Å; K238-D240 PolarHBondContact O-N 3.12Å
239A92.6Very high92.8Very high23 Ų2350.5 Ų50.519%0.1926%0.261CS..  trans-56.5131.9-175.800000111P222 W223 A235P222-A239 HydrophobicContact CB-CB 4.36Å; P222-A239 HydrophobicContact CG-CB 4.47Å; W223-A239 HydrophobicContact CE3-CB 4Å; W223-A239 HydrophobicContact CZ3-CB 3.76Å; A235-A239 WeakPolarHBondContact O-CB 3.18Å; A235-A239 PolarHBondContact O-N 2.87Å
240D93.2Very high93.3Very high80 Ų8051.9 Ų51.943%0.42828%0.276SS..  trans-75.2138.1173.7-177.7-100.3000110.3K238 N242 E243 M244K238-D240 PolarHBondContact O-N 3.12Å; D240-N242 VanDerWaalsContact C-N 3.31Å; D240-N242 PolarHBondContact O-N 3.36Å; D240-N242 WeakPolarHBondContact OD1-CA 3.39Å; D240-N242 WeakPolarHBondContact OD1-CB 3.35Å; D240-N242 PolarHBondContact OD1-N 3.1Å; D240-E243 HydrophobicContact CB-CB 4.05Å; D240-E243 PolarHBondContact O-N 3.49Å; D240-E243 PolarHBondContact OD1-N 3.48Å; D240-E243 VanDerWaalsContact OD1-N 3.09Å; D240-M244 WeakPolarHBondContact O-CB 3.45Å; D240-M244 PolarHBondContact O-N 2.66Å; D240-M244 VanDerWaalsContact O-N 3.08Å
241V94.7Very high93.8Very high37 Ų3750.7 Ų50.722%0.22427%0.273CS..Hα-helixtrans-67.7-35-176.7175.70000110.8M244 F245 V253 Y256V241-M244 PolarHBondContact O-N 3.38Å; V241-F245 HydrophobicContact CG1-CD2 3.74Å; V241-F245 HydrophobicContact CG1-CE2 4.07Å; V241-F245 WeakPolarHBondContact O-CD2 2.91Å; V241-F245 PolarHBondContact O-N 3.43Å; V241-V253 HydrophobicContact CG1-CG1 3.39Å; V241-Y256 HydrophobicContact CG2-CE1 4.43Å
242N92.1Very high94.2Very high112 Ų11245.7 Ų45.760%0.59925%0.25SC*.Hα-helixtrans-74.1-35.4179-51.5-48000111.1D240 M244 G246D240-N242 VanDerWaalsContact C-N 3.31Å; D240-N242 PolarHBondContact O-N 3.36Å; D240-N242 WeakPolarHBondContact OD1-CA 3.39Å; D240-N242 WeakPolarHBondContact OD1-CB 3.35Å; D240-N242 PolarHBondContact OD1-N 3.1Å; N242-M244 VanDerWaalsContact C-N 3.31Å; N242-M244 PolarHBondContact O-N 2.89Å; N242-G246 WeakPolarHBondContact O-CA 2.96Å; N242-G246 PolarHBondContact O-N 2.78Å
243E93Very high94.4Very high118 Ų11845.5 Ų45.555%0.55125%0.25SC*.Hα-helixtrans-62.1-42.3172.1-169.7-170.6168.100111.4P222 D240P222-E243 HydrophobicContact CG-CG 4.18Å; D240-E243 HydrophobicContact CB-CB 4.05Å; D240-E243 PolarHBondContact O-N 3.49Å; D240-E243 PolarHBondContact OD1-N 3.48Å; D240-E243 VanDerWaalsContact OD1-N 3.09Å
244M95.3Very high94.7Very high3 Ų349.5 Ų49.52%0.01527%0.271CS..Hα-helixtrans-70.1-45.2-176.4179.6164.764.800113.5Y211 A214 R218 P222 W223 D240 V241 N242 Y256Y211-M244 HydrophobicContact CD1-SD 3.66Å; Y211-M244 HydrophobicContact CE1-CE 4.04Å; Y211-M244 HydrophobicContact CE1-SD 3.52Å; Y211-M244 VanDerWaalsContact CE1-SD 3.52Å; A214-M244 HydrophobicContact CB-CG 4.17Å; R218-M244 WeakPolarHBondContact CG-O 3.31Å; P222-M244 HydrophobicContact CG-CB 4.08Å; W223-M244 HydrophobicContact CH2-SD 3.52Å; W223-M244 VanDerWaalsContact CH2-SD 3.52Å; W223-M244 HydrophobicContact CZ3-SD 3.8Å; D240-M244 WeakPolarHBondContact O-CB 3.45Å; D240-M244 PolarHBondContact O-N 2.66Å; D240-M244 VanDerWaalsContact O-N 3.08Å; V241-M244 PolarHBondContact O-N 3.38Å; N242-M244 VanDerWaalsContact C-N 3.31Å; N242-M244 PolarHBondContact O-N 2.89Å; M244-Y256 HydrophobicContact CE-CD1 4.12Å; M244-Y256 HydrophobicContact CE-CE1 3.39Å; M244-Y256 HydrophobicContact CE-CE2 4.1Å; M244-Y256 WeakPolarHBondContact CE-OH 3.5Å
245F96.9Very high95.1Very high1 Ų149.3 Ų49.30%0.00427%0.27CS..Hα-helixtrans-101.1-10.4-176.3-62.7-68.3000113.7F210 A214 V241 D247 M248 V253 Y256F210-F245 HydrophobicContact CB-CE1 4.2Å; F210-F245 HydrophobicContact CB-CZ 4.19Å; F210-F245 AromaticContact CD1-CE1 4Å; F210-F245 HydrophobicContact CD1-CE1 4Å; F210-F245 HydrophobicContact CD1-CZ 4.17Å; A214-F245 HydrophobicContact CB-CD1 3.87Å; A214-F245 HydrophobicContact CB-CE1 3.9Å; V241-F245 HydrophobicContact CG1-CD2 3.74Å; V241-F245 HydrophobicContact CG1-CE2 4.07Å; V241-F245 WeakPolarHBondContact O-CD2 2.91Å; V241-F245 PolarHBondContact O-N 3.43Å; F245-D247 PolarHBondContact O-N 2.72Å; F245-M248 HydrophobicContact CB-CB 4.15Å; F245-M248 HydrophobicContact CB-CG 4.38Å; F245-M248 HydrophobicContact CB-SD 4.17Å; F245-M248 HydrophobicContact CD1-SD 3.71Å; F245-M248 HydrophobicContact CG-SD 4.37Å; F245-M248 WeakPolarHBondContact O-CB 3.43Å; F245-M248 VanDerWaalsContact O-CG 3.25Å; F245-M248 WeakPolarHBondContact O-CG 3.48Å; F245-M248 PolarHBondContact O-N 3.29Å; F245-M248 VanDerWaalsContact O-N 3.16Å; F245-V253 HydrophobicContact CB-CG2 3.79Å; F245-V253 HydrophobicContact CD2-CG1 3.91Å; F245-V253 HydrophobicContact CD2-CG2 4.19Å; F245-V253 HydrophobicContact CE2-CG1 4.4Å; F245-V253 HydrophobicContact CG-CG2 4.06Å; F245-Y256 AromaticContact CE2-CD1 3.37Å; F245-Y256 HydrophobicContact CE2-CD1 3.37Å; F245-Y256 HydrophobicContact CE2-CD2 4.28Å; F245-Y256 AromaticContact CE2-CE1 3.81Å; F245-Y256 HydrophobicContact CE2-CE1 3.81Å; F245-Y256 AromaticContact CE2-CG 3.63Å; F245-Y256 HydrophobicContact CE2-CG 3.63Å; F245-Y256 AromaticContact CZ-CD1 3.73Å; F245-Y256 HydrophobicContact CZ-CD1 3.73Å; F245-Y256 AromaticContact CZ-CD2 3.77Å; F245-Y256 HydrophobicContact CZ-CD2 3.77Å; F245-Y256 HydrophobicContact CZ-CE1 4.21Å; F245-Y256 HydrophobicContact CZ-CE2 4.24Å; F245-Y256 AromaticContact CZ-CG 3.47Å; F245-Y256 HydrophobicContact CZ-CG 3.47Å; F245-Y256 VanDerWaalsContact CZ-CG 3.47Å
246G95Very high95.3Very high28 Ų2849 Ų4929%0.28926%0.264SS..THydrogen-bonded Turntrans58.2-127.8-177.800000111.8N242 M248N242-G246 WeakPolarHBondContact O-CA 2.96Å; N242-G246 PolarHBondContact O-N 2.78Å; G246-M248 VanDerWaalsContact C-N 3.34Å
247D95.4Very high95.4Very high115 Ų11552.6 Ų52.662%0.61528%0.28SS*.THydrogen-bonded Turntrans-93.821.6179.259.7-19.4000113.2Y217 F245Y217-D247 WeakPolarHBondContact CE1-OD1 3.25Å; Y217-D247 VanDerWaalsContact CZ-OD1 3.27Å; Y217-D247 VanDerWaalsContact OH-CG 3.24Å; Y217-D247 PolarHBondContact OH-OD1 2.85Å; Y217-D247 PolarHBondContact OH-OD2 2.75Å; F245-D247 PolarHBondContact O-N 2.72Å
248M97.3Very high95.8Very high13 Ų1353.3 Ų53.36%0.06429%0.293CS..  trans-56.4145.9170.1-80.4-170.5175.100111.1I113 I116 L213 Y217 F245 G246 S250 V253I113-M248 HydrophobicContact CD1-CG 4.14Å; I116-M248 HydrophobicContact CG2-CE 3.75Å; L213-M248 HydrophobicContact CB-CE 4.49Å; Y217-M248 HydrophobicContact CD1-CE 3.56Å; Y217-M248 HydrophobicContact CD1-CG 3.57Å; Y217-M248 HydrophobicContact CD1-SD 4.38Å; Y217-M248 HydrophobicContact CE1-CG 3.71Å; Y217-M248 HydrophobicContact CG-CE 3.57Å; Y217-M248 HydrophobicContact CG-CG 4.35Å; F245-M248 HydrophobicContact CB-CB 4.15Å; F245-M248 HydrophobicContact CB-CG 4.38Å; F245-M248 HydrophobicContact CB-SD 4.17Å; F245-M248 HydrophobicContact CD1-SD 3.71Å; F245-M248 HydrophobicContact CG-SD 4.37Å; F245-M248 WeakPolarHBondContact O-CB 3.43Å; F245-M248 VanDerWaalsContact O-CG 3.25Å; F245-M248 WeakPolarHBondContact O-CG 3.48Å; F245-M248 PolarHBondContact O-N 3.29Å; F245-M248 VanDerWaalsContact O-N 3.16Å; G246-M248 VanDerWaalsContact C-N 3.34Å; M248-S250 PolarHBondContact O-N 3.36Å; M248-V253 HydrophobicContact CB-CG2 4.1Å
249P97.5Very high96Very high23 Ų2345.4 Ų45.415%0.14926%0.259CS..  trans-52.6133.8176.9-27.736.5000112.1I113 E251 I252 V253 V280 L284I113-P249 HydrophobicContact CD1-CG 4.39Å; I113-P249 HydrophobicContact CG1-CG 4.29Å; P249-E251 PolarHBondContact O-N 2.79Å; P249-E251 VanDerWaalsContact O-N 3.16Å; P249-I252 HydrophobicContact CB-CG1 4.18Å; P249-I252 WeakPolarHBondContact O-CB 3.44Å; P249-I252 PolarHBondContact O-N 3.45Å; P249-V253 PolarHBondContact O-N 2.99Å; P249-V280 HydrophobicContact CB-CG1 3.6Å; P249-V280 HydrophobicContact CB-CG2 4.48Å; P249-V280 HydrophobicContact CG-CG1 3.52Å; P249-L284 HydrophobicContact CG-CD1 4.06Å
250S97.4Very high96.1Very high72 Ų7247.1 Ų47.150%0.50326%0.264SS..Hα-helixtrans-53.8-37.3-176.141.50000113.1M248 I252 V253 D254M248-S250 PolarHBondContact O-N 3.36Å; S250-I252 VanDerWaalsContact C-N 3.26Å; S250-I252 PolarHBondContact O-N 3.04Å; S250-V253 CarbonylContact O-C 3.45Å; S250-V253 PolarHBondContact O-N 3.16Å; S250-V253 VanDerWaalsContact O-N 3.11Å; S250-D254 WeakPolarHBondContact O-CB 3.36Å; S250-D254 PolarHBondContact O-N 3.31Å
251E98Very high96Very high59 Ų5947.1 Ų47.128%0.27626%0.262SS..Hα-helixtrans-59.4-38.8179.5-6090.2142.400111P249 I255 T276 V280 K283P249-E251 PolarHBondContact O-N 2.79Å; P249-E251 VanDerWaalsContact O-N 3.16Å; E251-I255 WeakPolarHBondContact O-CG1 3.3Å; E251-I255 PolarHBondContact O-N 2.86Å; E251-T276 HydrophobicContact CB-CG2 3.88Å; E251-V280 HydrophobicContact CB-CG2 3.77Å; E251-V280 HydrophobicContact CG-CG2 4.19Å; E251-K283 IonicContact OE1-NZ 3.32Å; E251-K283 PolarHBondContact OE1-NZ 3.13Å
252I98Very high95.9Very high4 Ų448.2 Ų48.22%0.02126%0.263CS..Hα-helixtrans-71.6-43.7176.4-55.7-57.9000110.2L117 F210 P249 S250 D254 I255 Y256 T276 F277 V280L117-I252 HydrophobicContact CD2-CD1 3.87Å; L117-I252 HydrophobicContact CD2-CG1 3.97Å; F210-I252 HydrophobicContact CE1-CG2 3.75Å; F210-I252 WeakPolarHBondContact CE1-O 3.49Å; P249-I252 HydrophobicContact CB-CG1 4.18Å; P249-I252 WeakPolarHBondContact O-CB 3.44Å; P249-I252 PolarHBondContact O-N 3.45Å; S250-I252 VanDerWaalsContact C-N 3.26Å; S250-I252 PolarHBondContact O-N 3.04Å; I252-D254 VanDerWaalsContact C-N 3.29Å; I252-D254 PolarHBondContact O-N 3.07Å; I252-I255 WeakPolarHBondContact O-CB 3.41Å; I252-I255 PolarHBondContact O-N 3.35Å; I252-Y256 PolarHBondContact O-N 2.98Å; I252-T276 HydrophobicContact CD1-CG2 4.41Å; I252-F277 HydrophobicContact CD1-CB 4.44Å; I252-F277 HydrophobicContact CD1-CD1 3.92Å; I252-F277 HydrophobicContact CD1-CD2 3.74Å; I252-F277 HydrophobicContact CD1-CE1 4.04Å; I252-F277 HydrophobicContact CD1-CE2 3.89Å; I252-F277 HydrophobicContact CD1-CG 3.77Å; I252-F277 HydrophobicContact CD1-CZ 4.04Å; I252-F277 HydrophobicContact CG2-CE1 4.23Å; I252-F277 HydrophobicContact CG2-CE2 4.25Å; I252-F277 HydrophobicContact CG2-CZ 3.76Å; I252-V280 HydrophobicContact CD1-CB 4.37Å; I252-V280 HydrophobicContact CD1-CG2 4.14Å; I252-V280 HydrophobicContact CG1-CG1 4.37Å; I252-V280 HydrophobicContact CG1-CG2 4.37Å
253V97.8Very high95.7Very high10 Ų1044.7 Ų44.76%0.06125%0.247CC..Hα-helixtrans-64.6-34.9179.1-178.90000111.5V241 F245 M248 P249 S250 I255 Y256 K257V241-V253 HydrophobicContact CG1-CG1 3.39Å; F245-V253 HydrophobicContact CB-CG2 3.79Å; F245-V253 HydrophobicContact CD2-CG1 3.91Å; F245-V253 HydrophobicContact CD2-CG2 4.19Å; F245-V253 HydrophobicContact CE2-CG1 4.4Å; F245-V253 HydrophobicContact CG-CG2 4.06Å; M248-V253 HydrophobicContact CB-CG2 4.1Å; P249-V253 PolarHBondContact O-N 2.99Å; S250-V253 CarbonylContact O-C 3.45Å; S250-V253 PolarHBondContact O-N 3.16Å; S250-V253 VanDerWaalsContact O-N 3.11Å; V253-I255 VanDerWaalsContact C-N 3.35Å; V253-I255 PolarHBondContact O-N 3.38Å; V253-Y256 WeakPolarHBondContact O-CB 3.19Å; V253-Y256 PolarHBondContact O-N 2.94Å; V253-K257 WeakPolarHBondContact O-CG 3.41Å; V253-K257 PolarHBondContact O-N 3.2Å
254D97.7Very high95.4Very high83 Ų8340.2 Ų40.244%0.44423%0.229SC..Hα-helixtrans-69-32.3179.9-71.9-19.1000112.6S250 I252 Y256 K257 G258S250-D254 WeakPolarHBondContact O-CB 3.36Å; S250-D254 PolarHBondContact O-N 3.31Å; I252-D254 VanDerWaalsContact C-N 3.29Å; I252-D254 PolarHBondContact O-N 3.07Å; D254-Y256 PolarHBondContact O-N 2.9Å; D254-K257 PolarHBondContact O-N 3.37Å; D254-K257 WeakPolarHBondContact OD1-CD 3.16Å; D254-K257 IonicContact OD1-NZ 2.82Å; D254-K257 PolarHBondContact OD1-NZ 2.93Å; D254-G258 PolarHBondContact O-N 2.83Å
255I98.1Very high94.9Very high26 Ų2649 Ų4913%0.13326%0.262CS..Hα-helixtrans-57.8-49.7169.1-63.9163.2000110.1F210 E251 I252 V253 K257 G258 L259 I273 T276 F277F210-I255 HydrophobicContact CE1-CB 4.4Å; F210-I255 HydrophobicContact CE2-CB 4.4Å; F210-I255 HydrophobicContact CE2-CG2 3.69Å; F210-I255 HydrophobicContact CZ-CB 3.69Å; F210-I255 HydrophobicContact CZ-CG2 3.44Å; F210-I255 VanDerWaalsContact CZ-CG2 3.44Å; E251-I255 WeakPolarHBondContact O-CG1 3.3Å; E251-I255 PolarHBondContact O-N 2.86Å; I252-I255 WeakPolarHBondContact O-CB 3.41Å; I252-I255 PolarHBondContact O-N 3.35Å; V253-I255 VanDerWaalsContact C-N 3.35Å; V253-I255 PolarHBondContact O-N 3.38Å; I255-K257 VanDerWaalsContact C-N 3.34Å; I255-K257 PolarHBondContact O-N 2.77Å; I255-G258 PolarHBondContact O-N 2.95Å; I255-G258 VanDerWaalsContact O-N 3.12Å; I255-L259 HydrophobicContact CG2-CD1 3.95Å; I255-L259 HydrophobicContact CG2-CG 4.29Å; I255-L259 WeakPolarHBondContact O-CG 3.4Å; I255-L259 PolarHBondContact O-N 3.18Å; I255-I273 HydrophobicContact CD1-CG2 4.13Å; I255-I273 HydrophobicContact CG2-CD1 4.04Å; I255-I273 HydrophobicContact CG2-CG1 3.82Å; I255-I273 HydrophobicContact CG2-CG2 4.27Å; I255-T276 HydrophobicContact CD1-CG2 3.68Å; I255-T276 HydrophobicContact CG1-CG2 4.44Å; I255-F277 HydrophobicContact CD1-CD2 4.26Å; I255-F277 HydrophobicContact CD1-CE2 4.15Å
256Y97.7Very high94.6Very high14 Ų1451.9 Ų51.96%0.05528%0.278CS..Hα-helixtrans-57.9-45.9177.2168.1-97.2000112I207 F210 Y211 V241 M244 F245 I252 V253 D254 G258 L259 I260I207-Y256 HydrophobicContact CG2-CE2 4.27Å; F210-Y256 HydrophobicContact CB-CD2 3.76Å; F210-Y256 HydrophobicContact CB-CG 4.48Å; F210-Y256 HydrophobicContact CG-CD2 4.1Å; F210-Y256 HydrophobicContact CG-CG 4.47Å; Y211-Y256 HydrophobicContact CD1-CE2 4.32Å; Y211-Y256 AromaticContact CE1-CE2 3.51Å; Y211-Y256 HydrophobicContact CE1-CE2 3.51Å; Y211-Y256 AromaticContact CE1-CZ 3.81Å; Y211-Y256 WeakPolarHBondContact CE1-OH 3.19Å; Y211-Y256 PolarHBondContact OH-OH 3.36Å; Y211-Y256 VanDerWaalsContact OH-OH 3.07Å; V241-Y256 HydrophobicContact CG2-CE1 4.43Å; M244-Y256 HydrophobicContact CE-CD1 4.12Å; M244-Y256 HydrophobicContact CE-CE1 3.39Å; M244-Y256 HydrophobicContact CE-CE2 4.1Å; M244-Y256 WeakPolarHBondContact CE-OH 3.5Å; F245-Y256 AromaticContact CE2-CD1 3.37Å; F245-Y256 HydrophobicContact CE2-CD1 3.37Å; F245-Y256 HydrophobicContact CE2-CD2 4.28Å; F245-Y256 AromaticContact CE2-CE1 3.81Å; F245-Y256 HydrophobicContact CE2-CE1 3.81Å; F245-Y256 AromaticContact CE2-CG 3.63Å; F245-Y256 HydrophobicContact CE2-CG 3.63Å; F245-Y256 AromaticContact CZ-CD1 3.73Å; F245-Y256 HydrophobicContact CZ-CD1 3.73Å; F245-Y256 AromaticContact CZ-CD2 3.77Å; F245-Y256 HydrophobicContact CZ-CD2 3.77Å; F245-Y256 HydrophobicContact CZ-CE1 4.21Å; F245-Y256 HydrophobicContact CZ-CE2 4.24Å; F245-Y256 AromaticContact CZ-CG 3.47Å; F245-Y256 HydrophobicContact CZ-CG 3.47Å; F245-Y256 VanDerWaalsContact CZ-CG 3.47Å; I252-Y256 PolarHBondContact O-N 2.98Å; V253-Y256 WeakPolarHBondContact O-CB 3.19Å; V253-Y256 PolarHBondContact O-N 2.94Å; D254-Y256 PolarHBondContact O-N 2.9Å; Y256-G258 PolarHBondContact O-N 2.82Å; Y256-L259 PolarHBondContact O-N 3.04Å; Y256-L259 VanDerWaalsContact O-N 3.09Å; Y256-I260 HydrophobicContact CD1-CG2 4.4Å; Y256-I260 HydrophobicContact CD2-CG2 4.14Å; Y256-I260 HydrophobicContact CE1-CG2 3.88Å; Y256-I260 HydrophobicContact CE2-CG2 3.57Å; Y256-I260 VanDerWaalsContact CZ-CG2 3.43Å; Y256-I260 PolarHBondContact O-N 3.17Å; Y256-I260 VanDerWaalsContact O-N 3.12Å
257K96.4Very high94.3Very high88 Ų8854.5 Ų54.538%0.38329%0.289SS..Hα-helixtrans-58.5-36.8177.4-68.7174.6-169.7150.30111.5V253 D254 I255 I260 H261V253-K257 WeakPolarHBondContact O-CG 3.41Å; V253-K257 PolarHBondContact O-N 3.2Å; D254-K257 PolarHBondContact O-N 3.37Å; D254-K257 WeakPolarHBondContact OD1-CD 3.16Å; D254-K257 IonicContact OD1-NZ 2.82Å; D254-K257 PolarHBondContact OD1-NZ 2.93Å; I255-K257 VanDerWaalsContact C-N 3.34Å; I255-K257 PolarHBondContact O-N 2.77Å; K257-I260 WeakPolarHBondContact O-CG1 3.35Å; K257-H261 PolarHBondContact O-CD2 2.82Å
258G96.2Very high94.2Very high40 Ų4049.8 Ų49.841%0.41227%0.265SS..Hα-helixtrans-67.7-43.5173.100000113.1D254 I255 Y256 I260 H261D254-G258 PolarHBondContact O-N 2.83Å; I255-G258 PolarHBondContact O-N 2.95Å; I255-G258 VanDerWaalsContact O-N 3.12Å; Y256-G258 PolarHBondContact O-N 2.82Å; G258-I260 PolarHBondContact O-N 3.38Å; G258-H261 PolarHBondContact O-N 3.19Å
259L96.4Very high94.1Very high5 Ų553.8 Ų53.83%0.02629%0.286CS..Hα-helixtrans-63.4-39.2-176.9-71.4170.9000113.3H203 L206 I207 F210 I255 Y256 H261 K262 V268H203-L259 HydrophobicContact CB-CD2 4.23Å; L206-L259 HydrophobicContact CB-CD1 3.69Å; L206-L259 HydrophobicContact CB-CD2 4.21Å; L206-L259 HydrophobicContact CD1-CD2 4.03Å; I207-L259 HydrophobicContact CG1-CB 3.98Å; F210-L259 HydrophobicContact CD2-CD1 3.64Å; F210-L259 HydrophobicContact CE2-CD1 3.45Å; F210-L259 VanDerWaalsContact CE2-CD1 3.45Å; F210-L259 HydrophobicContact CZ-CD1 4.47Å; I255-L259 HydrophobicContact CG2-CD1 3.95Å; I255-L259 HydrophobicContact CG2-CG 4.29Å; I255-L259 WeakPolarHBondContact O-CG 3.4Å; I255-L259 PolarHBondContact O-N 3.18Å; Y256-L259 PolarHBondContact O-N 3.04Å; Y256-L259 VanDerWaalsContact O-N 3.09Å; L259-H261 PolarHBondContact O-N 2.68Å; L259-H261 VanDerWaalsContact O-N 3.1Å; L259-K262 HydrophobicContact CD2-CD 4.17Å; L259-K262 WeakPolarHBondContact O-CB 3.21Å; L259-K262 PolarHBondContact O-N 2.68Å; L259-K262 VanDerWaalsContact O-N 3.08Å; L259-V268 HydrophobicContact CD2-CG1 4.31Å
260I93.9Very high94.1Very high58 Ų5853.2 Ų53.230%0.29728%0.282SS..THydrogen-bonded Turntrans-63.1-18.9-17858.9165.9000113.8I207 Y256 K257 G258I207-I260 HydrophobicContact CD1-CG2 4.32Å; I207-I260 HydrophobicContact CG1-CG2 4.38Å; Y256-I260 HydrophobicContact CD1-CG2 4.4Å; Y256-I260 HydrophobicContact CD2-CG2 4.14Å; Y256-I260 HydrophobicContact CE1-CG2 3.88Å; Y256-I260 HydrophobicContact CE2-CG2 3.57Å; Y256-I260 VanDerWaalsContact CZ-CG2 3.43Å; Y256-I260 PolarHBondContact O-N 3.17Å; Y256-I260 VanDerWaalsContact O-N 3.12Å; K257-I260 WeakPolarHBondContact O-CG1 3.35Å; G258-I260 PolarHBondContact O-N 3.38Å
261H91.9Very high94.2Very high81 Ų8153.5 Ų53.538%0.37528%0.283SS..THydrogen-bonded Turntrans-89.2-17.7178.9-65.7-55.1000113.2K257 G258 L259 K336K257-H261 PolarHBondContact O-CD2 2.82Å; G258-H261 PolarHBondContact O-N 3.19Å; L259-H261 PolarHBondContact O-N 2.68Å; L259-H261 VanDerWaalsContact O-N 3.1Å; H261-K336 PolarHBondContact O-NZ 3.32Å
262K91.9Very high94.2Very high59 Ų5953.6 Ų53.626%0.25729%0.291SS..  trans-66.1160.5178.6-68.4-175.6179.9-75.80113.1H203 L259 D266 P267 V268 K336H203-K262 HydrophobicContact CB-CB 3.79Å; H203-K262 HydrophobicContact CB-CD 4.01Å; H203-K262 PolarHBondContact NE2-O 2.74Å; L259-K262 HydrophobicContact CD2-CD 4.17Å; L259-K262 WeakPolarHBondContact O-CB 3.21Å; L259-K262 PolarHBondContact O-N 2.68Å; L259-K262 VanDerWaalsContact O-N 3.08Å; K262-D266 WeakPolarHBondContact CA-OD2 3.46Å; K262-D266 HydrophobicContact CB-CB 4.02Å; K262-D266 HydrophobicContact CD-CB 4.36Å; K262-D266 HydrophobicContact CG-CB 4.05Å; K262-P267 PolarHBondContact NZ-O 2.78Å; K262-V268 HydrophobicContact CD-CG2 4.1Å; K262-K336 PolarHBondContact O-NZ 2.88Å
263S88.5Confident94.2Very high38 Ų3853.9 Ų53.927%0.26629%0.292SS..  trans-120.9169.4175.574.10000109.3H203 R265 D266H203-S263 PolarHBondContact CE1-O 3.39Å; H203-S263 PolarHBondContact ND1-O 2.75Å; S263-R265 PolarHBondContact O-N 3.49Å; S263-R265 PolarHBondContact OG-N 3.21Å; S263-D266 WeakPolarHBondContact CA-OD2 3.12Å; S263-D266 VanDerWaalsContact CB-OD2 3.29Å; S263-D266 WeakPolarHBondContact CB-OD2 3.48Å; S263-D266 PolarHBondContact N-OD2 3.13Å; S263-D266 PolarHBondContact O-N 3.24Å; S263-D266 PolarHBondContact OG-OD2 2.94Å
264C86.8Confident94.2Very high25 Ų2554.4 Ų54.417%0.16929%0.294CS..THydrogen-bonded Turntrans-62.1-12.5179.960.80000115H203H203-C264 PolarHBondContact CE1-N 3.36Å
265R85.1Confident94.3Very high187 Ų18753.2 Ų53.271%0.70630%0.296SS*.THydrogen-bonded Turntrans-96.2-16.9177.2-61.4-174.3-178.9117.4-1.6113.1S263S263-R265 PolarHBondContact O-N 3.49Å; S263-R265 PolarHBondContact OG-N 3.21Å
266D89.1Confident94.3Very high62 Ų6253.9 Ų53.933%0.33230%0.301SS..SBendtrans-75.8133.6-176.6-64.1-50000109.7K262 S263K262-D266 WeakPolarHBondContact CA-OD2 3.46Å; K262-D266 HydrophobicContact CB-CB 4.02Å; K262-D266 HydrophobicContact CD-CB 4.36Å; K262-D266 HydrophobicContact CG-CB 4.05Å; S263-D266 WeakPolarHBondContact CA-OD2 3.12Å; S263-D266 VanDerWaalsContact CB-OD2 3.29Å; S263-D266 WeakPolarHBondContact CB-OD2 3.48Å; S263-D266 PolarHBondContact N-OD2 3.13Å; S263-D266 PolarHBondContact O-N 3.24Å; S263-D266 PolarHBondContact OG-OD2 2.94Å
267P89.5Confident94.3Very high82 Ų8253.2 Ų53.253%0.53230%0.299SS..  trans-66.5156.5175.429.3-34.8000110.6K262K262-P267 PolarHBondContact NZ-O 2.78Å
268V92.8Very high94.4Very high16 Ų1652 Ų5210%0.09730%0.299CS..  trans-122.7122.7170.7-176.40000109.5M202 H203 L206 L259 K262 H270 I273M202-V268 HydrophobicContact CB-CB 4.48Å; M202-V268 HydrophobicContact CB-CG2 3.95Å; H203-V268 HydrophobicContact CB-CG2 3.99Å; L206-V268 HydrophobicContact CD1-CB 4.12Å; L206-V268 HydrophobicContact CD1-CG1 3.15Å; L206-V268 HydrophobicContact CD1-CG2 4.24Å; L259-V268 HydrophobicContact CD2-CG1 4.31Å; K262-V268 HydrophobicContact CD-CG2 4.1Å; V268-H270 PolarHBondContact O-N 3.25Å; V268-H270 PolarHBondContact O-ND1 3.44Å; V268-H270 VanDerWaalsContact O-ND1 3.12Å; V268-I273 HydrophobicContact CG1-CD1 3.93Å
269D95.7Very high94.5Very high97 Ų9752.9 Ų52.952%0.51930%0.303SS..  trans-85.492.7173.2-172-13.2000110S271 S272 I273D269-S271 VanDerWaalsContact C-N 3.28Å; D269-S271 WeakPolarHBondContact OD1-CB 3.47Å; D269-S271 PolarHBondContact OD1-N 2.86Å; D269-S272 VanDerWaalsContact CG-CB 3.44Å; D269-S272 PolarHBondContact OD1-N 2.94Å; D269-S272 WeakPolarHBondContact OD2-CB 3.33Å; D269-I273 WeakPolarHBondContact O-CG1 3.46Å; D269-I273 PolarHBondContact O-N 3.28Å
270H97.8Very high94.6Very high12 Ų1252.9 Ų52.96%0.05630%0.303CS..Hα-helixtrans-66.2-33.9177.4-61.978000111.8V124 R128 H131 V268 I273 I274V124-H270 HydrophobicContact CG1-CB 4.17Å; R128-H270 HydrophobicContact CB-CB 3.72Å; R128-H270 HydrophobicContact CG-CB 3.71Å; H131-H270 AromaticContact CE1-NE2 3.59Å; H131-H270 AromaticContact CG-NE2 3.88Å; H131-H270 AromaticContact ND1-CE1 3.28Å; H131-H270 PolarHBondContact ND1-CE1 2.84Å; H131-H270 VanDerWaalsContact ND1-CE1 3.28Å; H131-H270 AromaticContact ND1-NE2 2.82Å; H131-H270 PolarHBondContact ND1-NE2 2.79Å; V268-H270 PolarHBondContact O-N 3.25Å; V268-H270 PolarHBondContact O-ND1 3.44Å; V268-H270 VanDerWaalsContact O-ND1 3.12Å; H270-I273 PolarHBondContact O-N 2.86Å; H270-I274 WeakPolarHBondContact O-CD1 3.31Å; H270-I274 VanDerWaalsContact O-CG1 3.3Å; H270-I274 WeakPolarHBondContact O-CG1 3.18Å; H270-I274 PolarHBondContact O-N 3.28Å
271S98Very high94.8Very high77 Ų7750.3 Ų50.354%0.53829%0.29SS..Hα-helixtrans-66.7-42.4-178.5-59.30000111D269 I273 I274 A275D269-S271 VanDerWaalsContact C-N 3.28Å; D269-S271 WeakPolarHBondContact OD1-CB 3.47Å; D269-S271 PolarHBondContact OD1-N 2.86Å; S271-I273 VanDerWaalsContact C-N 3.34Å; S271-I273 PolarHBondContact O-N 2.67Å; S271-I274 PolarHBondContact O-N 3.4Å; S271-A275 WeakPolarHBondContact O-CB 3.31Å; S271-A275 PolarHBondContact O-N 2.82Å
272S98.1Very high95Very high62 Ų6250.3 Ų50.343%0.43430%0.299SS..Hα-helixtrans-61.2-42.3173172.40000111.7D269 A275 T276D269-S272 VanDerWaalsContact CG-CB 3.44Å; D269-S272 PolarHBondContact OD1-N 2.94Å; D269-S272 WeakPolarHBondContact OD2-CB 3.33Å; S272-A275 PolarHBondContact O-N 2.86Å; S272-T276 PolarHBondContact O-N 3.46Å; S272-T276 PolarHBondContact O-OG1 3.16Å; S272-T276 VanDerWaalsContact O-OG1 3.06Å
273I98.5Very high95.3Very high10 Ų1054.5 Ų54.55%0.05132%0.317CS..Hα-helixtrans-61.9-49.8177.2-63.4171.3000110.2V124 L206 I255 V268 D269 H270 S271 A275 T276 F277V124-I273 HydrophobicContact CG1-CB 4.21Å; V124-I273 HydrophobicContact CG1-CG2 4.03Å; V124-I273 HydrophobicContact CG2-CG2 3.83Å; L206-I273 HydrophobicContact CD1-CD1 3.92Å; I255-I273 HydrophobicContact CD1-CG2 4.13Å; I255-I273 HydrophobicContact CG2-CD1 4.04Å; I255-I273 HydrophobicContact CG2-CG1 3.82Å; I255-I273 HydrophobicContact CG2-CG2 4.27Å; V268-I273 HydrophobicContact CG1-CD1 3.93Å; D269-I273 WeakPolarHBondContact O-CG1 3.46Å; D269-I273 PolarHBondContact O-N 3.28Å; H270-I273 PolarHBondContact O-N 2.86Å; S271-I273 VanDerWaalsContact C-N 3.34Å; S271-I273 PolarHBondContact O-N 2.67Å; I273-A275 VanDerWaalsContact C-N 3.33Å; I273-A275 PolarHBondContact O-N 2.85Å; I273-T276 PolarHBondContact O-N 3.26Å; I273-F277 HydrophobicContact CG2-CD2 3.89Å; I273-F277 HydrophobicContact CG2-CE2 3.85Å; I273-F277 WeakPolarHBondContact O-CD2 3.31Å; I273-F277 PolarHBondContact O-N 3.43Å
274I98.5Very high95.7Very high20 Ų2056.5 Ų56.510%0.10333%0.325CS..Hα-helixtrans-56.8-47.9177.6-68.6159.6000110.3I121 V124 E125 H270 S271 T276 F277 T278I121-I274 HydrophobicContact CG2-CG2 4.31Å; V124-I274 HydrophobicContact CB-CG1 3.95Å; V124-I274 HydrophobicContact CG1-CD1 4.05Å; V124-I274 HydrophobicContact CG1-CG1 3.62Å; E125-I274 HydrophobicContact CG-CD1 3.58Å; E125-I274 HydrophobicContact CG-CG1 4.2Å; H270-I274 WeakPolarHBondContact O-CD1 3.31Å; H270-I274 VanDerWaalsContact O-CG1 3.3Å; H270-I274 WeakPolarHBondContact O-CG1 3.18Å; H270-I274 PolarHBondContact O-N 3.28Å; S271-I274 PolarHBondContact O-N 3.4Å; I274-T276 VanDerWaalsContact C-N 3.31Å; I274-T276 PolarHBondContact O-N 2.8Å; I274-F277 PolarHBondContact O-N 3Å; I274-F277 VanDerWaalsContact O-N 3.15Å; I274-T278 PolarHBondContact O-N 3.18Å; I274-T278 PolarHBondContact O-OG1 2.77Å; I274-T278 VanDerWaalsContact O-OG1 3.06Å
275A98.4Very high96.1Very high58 Ų5863.8 Ų63.848%0.47936%0.356SS..Hα-helixtrans-59-40.317900000112.5S271 S272 I273 T278 A279S271-A275 WeakPolarHBondContact O-CB 3.31Å; S271-A275 PolarHBondContact O-N 2.82Å; S272-A275 PolarHBondContact O-N 2.86Å; I273-A275 VanDerWaalsContact C-N 3.33Å; I273-A275 PolarHBondContact O-N 2.85Å; A275-T278 PolarHBondContact O-N 2.79Å; A275-A279 VanDerWaalsContact O-CB 3.31Å; A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 2.67Å
276T98.5Very high96.5Very high40 Ų4056.1 Ų56.125%0.24533%0.33CS..Hα-helixtrans-64.2-45.8174.7-570000111.6E251 I252 I255 S272 I273 I274 T278 A279 V280E251-T276 HydrophobicContact CB-CG2 3.88Å; I252-T276 HydrophobicContact CD1-CG2 4.41Å; I255-T276 HydrophobicContact CD1-CG2 3.68Å; I255-T276 HydrophobicContact CG1-CG2 4.44Å; S272-T276 PolarHBondContact O-N 3.46Å; S272-T276 PolarHBondContact O-OG1 3.16Å; S272-T276 VanDerWaalsContact O-OG1 3.06Å; I273-T276 PolarHBondContact O-N 3.26Å; I274-T276 VanDerWaalsContact C-N 3.31Å; I274-T276 PolarHBondContact O-N 2.8Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 2.92Å; T276-A279 PolarHBondContact O-N 3.18Å; T276-V280 HydrophobicContact CG2-CG2 4.47Å; T276-V280 VanDerWaalsContact O-CG2 3.27Å; T276-V280 WeakPolarHBondContact O-CG2 3.34Å; T276-V280 PolarHBondContact O-N 2.9Å
277F98.4Very high96.6Very high1 Ų157.4 Ų57.40%0.00434%0.342CS..Hα-helixtrans-59.6-44.9175.7-89-100.9000111.9L117 I121 F210 L213 I252 I255 I273 I274 V280 A281L117-F277 HydrophobicContact CD2-CD1 3.8Å; L117-F277 HydrophobicContact CD2-CE1 4.25Å; I121-F277 HydrophobicContact CD1-CB 4.29Å; I121-F277 HydrophobicContact CG1-CB 3.57Å; I121-F277 HydrophobicContact CG1-CG 4.41Å; F210-F277 HydrophobicContact CE1-CZ 4.44Å; F210-F277 HydrophobicContact CZ-CE2 4.1Å; F210-F277 HydrophobicContact CZ-CZ 4.31Å; L213-F277 HydrophobicContact CD1-CE1 3.96Å; L213-F277 HydrophobicContact CD1-CZ 3.74Å; I252-F277 HydrophobicContact CD1-CB 4.44Å; I252-F277 HydrophobicContact CD1-CD1 3.92Å; I252-F277 HydrophobicContact CD1-CD2 3.74Å; I252-F277 HydrophobicContact CD1-CE1 4.04Å; I252-F277 HydrophobicContact CD1-CE2 3.89Å; I252-F277 HydrophobicContact CD1-CG 3.77Å; I252-F277 HydrophobicContact CD1-CZ 4.04Å; I252-F277 HydrophobicContact CG2-CE1 4.23Å; I252-F277 HydrophobicContact CG2-CE2 4.25Å; I252-F277 HydrophobicContact CG2-CZ 3.76Å; I255-F277 HydrophobicContact CD1-CD2 4.26Å; I255-F277 HydrophobicContact CD1-CE2 4.15Å; I273-F277 HydrophobicContact CG2-CD2 3.89Å; I273-F277 HydrophobicContact CG2-CE2 3.85Å; I273-F277 WeakPolarHBondContact O-CD2 3.31Å; I273-F277 PolarHBondContact O-N 3.43Å; I274-F277 PolarHBondContact O-N 3Å; I274-F277 VanDerWaalsContact O-N 3.15Å; F277-V280 PolarHBondContact O-N 2.83Å; F277-A281 WeakPolarHBondContact O-CB 3.37Å; F277-A281 PolarHBondContact O-N 3.43Å
278T98.1Very high96.5Very high61 Ų6156.1 Ų56.137%0.37434%0.344SS..Hα-helixtrans-62.3-46.1177.3-57.40000111.6I274 A275 T276 V280 A281 S282I274-T278 PolarHBondContact O-N 3.18Å; I274-T278 PolarHBondContact O-OG1 2.77Å; I274-T278 VanDerWaalsContact O-OG1 3.06Å; A275-T278 PolarHBondContact O-N 2.79Å; T276-T278 VanDerWaalsContact C-N 3.34Å; T276-T278 PolarHBondContact O-N 2.92Å; T278-V280 VanDerWaalsContact C-N 3.34Å; T278-V280 PolarHBondContact O-N 3.5Å; T278-A281 PolarHBondContact O-N 2.89Å; T278-S282 PolarHBondContact O-N 2.82Å; T278-S282 PolarHBondContact O-OG 3.21Å
279A98.2Very high96.3Very high60 Ų6058.8 Ų58.850%0.49636%0.36SS..Hα-helixtrans-62.3-41.2179.100000112.2A275 T276 S282 K283A275-A279 VanDerWaalsContact O-CB 3.31Å; A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 2.67Å; T276-A279 PolarHBondContact O-N 3.18Å; A279-S282 PolarHBondContact O-N 2.64Å; A279-K283 WeakPolarHBondContact O-CB 3.32Å; A279-K283 PolarHBondContact O-N 2.71Å
280V98.2Very high96.2Very high5 Ų554.4 Ų54.43%0.0334%0.337CS..Hα-helixtrans-65.7-42.5175.1173.40000111.1L117 P249 E251 I252 T276 F277 T278 S282 K283 L284L117-V280 HydrophobicContact CD1-CG1 3.86Å; L117-V280 HydrophobicContact CD2-CB 4.25Å; L117-V280 HydrophobicContact CD2-CG1 3.83Å; P249-V280 HydrophobicContact CB-CG1 3.6Å; P249-V280 HydrophobicContact CB-CG2 4.48Å; P249-V280 HydrophobicContact CG-CG1 3.52Å; E251-V280 HydrophobicContact CB-CG2 3.77Å; E251-V280 HydrophobicContact CG-CG2 4.19Å; I252-V280 HydrophobicContact CD1-CB 4.37Å; I252-V280 HydrophobicContact CD1-CG2 4.14Å; I252-V280 HydrophobicContact CG1-CG1 4.37Å; I252-V280 HydrophobicContact CG1-CG2 4.37Å; T276-V280 HydrophobicContact CG2-CG2 4.47Å; T276-V280 VanDerWaalsContact O-CG2 3.27Å; T276-V280 WeakPolarHBondContact O-CG2 3.34Å; T276-V280 PolarHBondContact O-N 2.9Å; F277-V280 PolarHBondContact O-N 2.83Å; T278-V280 VanDerWaalsContact C-N 3.34Å; T278-V280 PolarHBondContact O-N 3.5Å; V280-S282 PolarHBondContact O-N 3.16Å; V280-K283 PolarHBondContact O-N 3.07Å; V280-L284 HydrophobicContact CG1-CD1 4.13Å; V280-L284 WeakPolarHBondContact O-CG 3.24Å; V280-L284 PolarHBondContact O-N 3.04Å
281A97.7Very high95.8Very high3 Ų359.4 Ų59.43%0.02536%0.364CS..Hα-helixtrans-60.4-44.8175.700000111.7L117 F277 T278 L284 E285 V286L117-A281 HydrophobicContact CB-CB 4.25Å; L117-A281 HydrophobicContact CD1-CB 4.21Å; F277-A281 WeakPolarHBondContact O-CB 3.37Å; F277-A281 PolarHBondContact O-N 3.43Å; T278-A281 PolarHBondContact O-N 2.89Å; A281-L284 CarbonylContact O-C 3.52Å; A281-L284 PolarHBondContact O-N 2.89Å; A281-E285 PolarHBondContact O-N 3.23Å; A281-E285 VanDerWaalsContact O-N 3.16Å; A281-V286 HydrophobicContact CB-CB 4.12Å; A281-V286 WeakPolarHBondContact O-CB 3.07Å; A281-V286 PolarHBondContact O-N 3.48Å
282S97.3Very high95.3Very high81 Ų8156.3 Ų56.357%0.56634%0.341SS*.Hα-helixtrans-63-43175.7-62.40000112.5T278 A279 V280 L284 E285T278-S282 PolarHBondContact O-N 2.82Å; T278-S282 PolarHBondContact O-OG 3.21Å; A279-S282 PolarHBondContact O-N 2.64Å; V280-S282 PolarHBondContact O-N 3.16Å; S282-L284 PolarHBondContact O-N 2.65Å; S282-E285 PolarHBondContact O-N 3.43Å
283K97.3Very high94.1Very high147 Ų14762.3 Ų62.364%0.63936%0.362SS*.Hα-helixtrans-61.3-31176.9177.1179.5169.7-176.30112.9E251 A279 V280E251-K283 IonicContact OE1-NZ 3.32Å; E251-K283 PolarHBondContact OE1-NZ 3.13Å; A279-K283 WeakPolarHBondContact O-CB 3.32Å; A279-K283 PolarHBondContact O-N 2.71Å; V280-K283 PolarHBondContact O-N 3.07Å
284L96.6Very high92.6Very high81 Ų8164 Ų6442%0.42437%0.368SS..THydrogen-bonded Turntrans-94.99.8177.5-63.9179.4000113.1I113 L117 P249 V280 A281 S282 V286I113-L284 HydrophobicContact CG1-CD1 4.29Å; I113-L284 HydrophobicContact CG2-CD1 4.36Å; L117-L284 HydrophobicContact CD1-CD1 3.99Å; P249-L284 HydrophobicContact CG-CD1 4.06Å; V280-L284 HydrophobicContact CG1-CD1 4.13Å; V280-L284 WeakPolarHBondContact O-CG 3.24Å; V280-L284 PolarHBondContact O-N 3.04Å; A281-L284 CarbonylContact O-C 3.52Å; A281-L284 PolarHBondContact O-N 2.89Å; S282-L284 PolarHBondContact O-N 2.65Å; L284-V286 HydrophobicContact CB-CG2 3.89Å; L284-V286 PolarHBondContact O-N 2.98Å; L284-V286 VanDerWaalsContact O-N 3.13Å
285E96.3Very high90.4Very high177 Ų17769.4 Ų69.483%0.82740%0.397SS*.THydrogen-bonded Turntrans54.930.8-179.9-56.1-177.6163.400113.5A281 S282A281-E285 PolarHBondContact O-N 3.23Å; A281-E285 VanDerWaalsContact O-N 3.16Å; S282-E285 PolarHBondContact O-N 3.43Å
286V93.4Very high88Confident26 Ų2672.6 Ų72.616%0.15841%0.406CS..  trans-74.7130178.7176.90000109.1G114 L117 Q118 A281 L284 G288G114-V286 VanDerWaalsContact CA-CG1 3.46Å; L117-V286 HydrophobicContact CD1-CG2 4.37Å; Q118-V286 HydrophobicContact CG-CG1 4.19Å; A281-V286 HydrophobicContact CB-CB 4.12Å; A281-V286 WeakPolarHBondContact O-CB 3.07Å; A281-V286 PolarHBondContact O-N 3.48Å; L284-V286 HydrophobicContact CB-CG2 3.89Å; L284-V286 PolarHBondContact O-N 2.98Å; L284-V286 VanDerWaalsContact O-N 3.13Å; V286-G288 PolarHBondContact O-N 2.95Å
287P90.5Very high85.2Confident89 Ų8979 Ų7958%0.57843%0.433SS*.  trans-53.7139.8174.9-26.834.8000112.3Q118 T289Q118-P287 PolarHBondContact NE2-O 3.35Å; P287-T289 PolarHBondContact O-N 2.93Å
288G87.5Confident82.4Confident56 Ų5680.6 Ų80.658%0.57745%0.445SS*.SBendtrans-69.915.7-179.700000115.5K154 V286K154-G288 PolarHBondContact NZ-O 2.9Å; V286-G288 PolarHBondContact O-N 2.95Å
289T89.8Confident79.8Confident71 Ų7180.7 Ų80.744%0.43644%0.441SS..SBendtrans-135.6133.4-176.855.50000109.5K154 P287 N291K154-T289 HydrophobicContact CD-CG2 4.07Å; K154-T289 HydrophobicContact CG-CG2 4.27Å; P287-T289 PolarHBondContact O-N 2.93Å; T289-N291 PolarHBondContact O-N 3.29Å
290L92.3Very high76.9Confident5 Ų586.6 Ų86.63%0.02646%0.459CS..  trans-66.2130.4169-175.863.3000109.2T115 Q118 I119 I147 Q155 I157 L292T115-L290 HydrophobicContact CG2-CD1 4.01Å; Q118-L290 HydrophobicContact CB-CB 4.1Å; Q118-L290 HydrophobicContact CB-CD1 3.9Å; I119-L290 HydrophobicContact CG1-CD1 3.9Å; I119-L290 HydrophobicContact CG1-CD2 4.27Å; I147-L290 HydrophobicContact CD1-CD2 3.64Å; Q155-L290 HydrophobicContact CB-CB 4.33Å; Q155-L290 WeakPolarHBondContact CB-O 3.34Å; I157-L290 HydrophobicContact CD1-CD2 3.91Å; I157-L290 HydrophobicContact CG1-CD2 4.09Å; L290-L292 HydrophobicContact CD1-CD1 4.25Å; L290-L292 HydrophobicContact CD1-CG 4.05Å; L290-L292 HydrophobicContact CD2-CD1 4.15Å; L290-L292 HydrophobicContact CG-CD1 4.35Å; L290-L292 HydrophobicContact CG-CG 4.28Å
291N89.4Confident73.8Confident118 Ų11892.7 Ų92.763%0.63149%0.491SS*.  trans-135.683175-17316.9000109.4T289T289-N291 PolarHBondContact O-N 3.29Å
292L88Confident70.7Confident12 Ų1299.8 Ų99.86%0.06353%0.528CS..  trans-86.6122.5169-72.7168000108.5L99 L102 F111 T115 I147 Q155 L290 Y294L99-L292 HydrophobicContact CD2-CD1 4.13Å; L102-L292 HydrophobicContact CD1-CD1 4.06Å; F111-L292 HydrophobicContact CD1-CD2 3.78Å; F111-L292 HydrophobicContact CE1-CD2 3.47Å; F111-L292 VanDerWaalsContact CE1-CD2 3.47Å; F111-L292 HydrophobicContact CE2-CD2 4.41Å; F111-L292 HydrophobicContact CG-CD2 4.39Å; F111-L292 HydrophobicContact CZ-CD1 4.4Å; F111-L292 HydrophobicContact CZ-CD2 3.81Å; T115-L292 HydrophobicContact CG2-CD2 3.51Å; T115-L292 HydrophobicContact CG2-CG 4.21Å; I147-L292 HydrophobicContact CD1-CD1 3.93Å; I147-L292 HydrophobicContact CG1-CD1 4.05Å; Q155-L292 PolarHBondContact NE2-O 3.11Å; L290-L292 HydrophobicContact CD1-CD1 4.25Å; L290-L292 HydrophobicContact CD1-CG 4.05Å; L290-L292 HydrophobicContact CD2-CD1 4.15Å; L290-L292 HydrophobicContact CG-CD1 4.35Å; L290-L292 HydrophobicContact CG-CG 4.28Å; L292-Y294 HydrophobicContact CB-CD1 4.42Å; L292-Y294 WeakPolarHBondContact O-CD1 3.31Å; L292-Y294 PolarHBondContact O-N 2.88Å
293E73.1Confident67.4Low187 Ų187100.7 Ų100.787%0.87454%0.535SS*.  trans-66.6122.5168.4-66.6178.7175.800108.9
294Y66.3Low64.3Low46 Ų46100.3 Ų100.318%0.1855%0.545CS..  trans-146.2133.4168.160-88.1000111.6L102 I147 L292 N296L102-Y294 HydrophobicContact CD2-CD1 4.39Å; L102-Y294 HydrophobicContact CD2-CG 4.19Å; I147-Y294 HydrophobicContact CB-CE1 4.47Å; I147-Y294 HydrophobicContact CG2-CE1 3.72Å; L292-Y294 HydrophobicContact CB-CD1 4.42Å; L292-Y294 WeakPolarHBondContact O-CD1 3.31Å; L292-Y294 PolarHBondContact O-N 2.88Å; Y294-N296 WeakPolarHBondContact CE2-OD1 3.28Å; Y294-N296 PolarHBondContact O-N 3.01Å
295D52.1Low61Low133 Ų133102.1 Ų102.171%0.71156%0.564SS**  trans-67.398.5175.7-68.2-32.5000110.5Q297 S298D295-Q297 PolarHBondContact O-N 3.14Å; D295-Q297 VanDerWaalsContact O-N 3.14Å; D295-S298 PolarHBondContact O-N 3.29Å; D295-S298 PolarHBondContact O-OG 3.1Å
296N49.9Very low57.7Low125 Ų125100.2 Ų100.267%0.66857%0.565SS**G310 helixtrans-56.7-21.4169.6-88.4-31.3000112.5Y294 S298Y294-N296 WeakPolarHBondContact CE2-OD1 3.28Å; Y294-N296 PolarHBondContact O-N 3.01Å; N296-S298 VanDerWaalsContact C-N 3.31Å; N296-S298 PolarHBondContact O-N 2.89Å
297Q38.4Very low54.5Low174 Ų174103.1 Ų103.181%0.81359%0.591SS**G310 helixtrans-80.5-2.4-173.7-65.5-173.5-8.800115.1D295D295-Q297 PolarHBondContact O-N 3.14Å; D295-Q297 VanDerWaalsContact O-N 3.14Å
298S39.2Very low51.5Low36 Ų36103.9 Ų103.925%0.25260%0.599SS.*G310 helixtrans-92-4.9-175.755.70000115R97 D295 N296R97-S298 PolarHBondContact NH2-OG 2.87Å; D295-S298 PolarHBondContact O-N 3.29Å; D295-S298 PolarHBondContact O-OG 3.1Å; N296-S298 VanDerWaalsContact C-N 3.31Å; N296-S298 PolarHBondContact O-N 2.89Å
299E44.6Very low48.6Very low63 Ų63109.4 Ų109.429%0.29461%0.614SS.*SBendtrans-88.5-14-178-82.2-159.2-165.300115.4R23 K94R23-E299 IonicContact NH2-OE2 2.8Å; R23-E299 PolarHBondContact NH2-OE2 2.86Å; K94-E299 IonicContact NZ-OE2 3.26Å; K94-E299 PolarHBondContact NZ-OE2 3.07Å
300E38.2Very low45.8Very low183 Ų183113.1 Ų113.186%0.85563%0.63SS**SBendtrans-87.5-18.1-178.3-77.1-179.3164.400114.3
301N32.2Very low42.7Very low133 Ų133118.1 Ų118.171%0.71167%0.665SS**SBendtrans-115.88.4-166.8-75-25.3000117.5S303N301-S303 PolarHBondContact O-N 3.45Å
302N31.5Very low39.9Very low152 Ų152121.3 Ų121.381%0.81368%0.676SS**  trans-103.668.2179.7-80.1-18.3000113
303S29.7Very low37.2Very low101 Ų101129.8 Ų129.871%0.70671%0.713SS**  trans-82.9132.7152.155.60000109.3N301N301-S303 PolarHBondContact O-N 3.45Å
304V30.7Very low35.3Very low139 Ų139127 Ų12784%0.84271%0.711SS**  trans78.799.6165.6-165.20000116.7
305S28.8Very low33.7Very low118 Ų118136.5 Ų136.583%0.82575%0.747SS**  -165.797.3123-170.90000110
306T26.8Very low32.8Very low138 Ų138139.6 Ų139.685%0.84775%0.754SS**  trans-77.1112.9161.539.20000108.8
307A26.6Very low32.4Very low86 Ų86138 Ų13871%0.71175%0.75SS**  trans-177.9145.5143.600000112.5
308S25.9Very low32.3Very low105 Ų105135.4 Ų135.473%0.73475%0.748SS**  trans79.8104.8163.778.10000117.2
309L27.9Very low32Very low173 Ų173139.2 Ų139.291%0.90678%0.775SS**  -164.285.4128.8-97153.5000109
310I31.1Very low31.6Very low148 Ų148146.1 Ų146.176%0.75980%0.804SS**  trans15.3122.5140.1-59.7168.4000116.3
311S25.9Very low31.8Very low111 Ų111144.3 Ų144.378%0.77679%0.793SS**  trans-63.9124.7166.761.20000112
312E30.2Very low32.6Very low184 Ų184143.1 Ų143.186%0.8679%0.793SS**  trans-113119.8155.5-80.8-168.5152.700110
313K31.7Very low34.1Very low191 Ų191140.2 Ų140.283%0.8378%0.777SS**PPolyproline II helixtrans-65.2139174.4-73.1175.4176.5174.40109.7R315K313-R315 PolarHBondContact O-N 2.99Å
314P33.8Very low35.5Very low129 Ų129137.7 Ų137.784%0.83875%0.752SS**PPolyproline II helixtrans-69.8116.3173.227.8-30.5000109.8K316P314-K316 PolarHBondContact O-N 2.91Å
315R32.8Very low36.8Very low245 Ų245135.6 Ų135.693%0.92573%0.732SS**PPolyproline II helixtrans-69.1126.3166.5-69.5-175-172.7-148.22.7108.9K313K313-R315 PolarHBondContact O-N 2.99Å
316K33.6Very low38.3Very low198 Ų198137.1 Ų137.186%0.86172%0.724SS**PPolyproline II helixtrans-61.3130171.2-80.6179.7175.5176.70109.3P314P314-K316 PolarHBondContact O-N 2.91Å
317P39.9Very low39.9Very low92 Ų92136.4 Ų136.460%0.59771%0.706SS**PPolyproline II helixtrans-72.4144.7170.729.6-31.7000110.1
318P37.2Very low41.6Very low118 Ų118132.3 Ų132.377%0.76667%0.672SS**PPolyproline II helixtrans-65.5145.5178.926.2-31.9000111.6K320P318-K320 PolarHBondContact O-N 2.85Å
319S32.6Very low43.4Very low116 Ų116128.9 Ų128.981%0.81165%0.65SS**SBendtrans-74.9112179.540.40000111.3
320K36.5Very low45.1Very low208 Ų208123.7 Ų123.790%0.90463%0.628SS**  trans14482.4155.7-81.7178.1-175.7-176.70108.3P318P318-K320 PolarHBondContact O-N 2.85Å
321K43.4Very low46.6Very low145 Ų145118.5 Ų118.563%0.6360%0.602SS**  trans-86130176.4-72.6-174.5178.3-178.90109.7
322P48.1Very low48.3Very low108 Ų108113.6 Ų113.670%0.70157%0.567SS**  trans-56.1153.5160.7-1.611.4000108.5W324P322-W324 PolarHBondContact O-N 2.81Å
323N62.7Low49.8Very low91 Ų91107.3 Ų107.349%0.48755%0.547SS..  trans-71.166.1-179.8-164.8-19.5000111.4K325 K326 Y327N323-K325 PolarHBondContact O-N 2.9Å; N323-K325 VanDerWaalsContact O-N 3.17Å; N323-K326 HydrophobicContact CB-CB 4.42Å; N323-K326 VanDerWaalsContact ND2-CD 3.32Å; N323-K326 WeakPolarHBondContact ND2-CD 3.46Å; N323-K326 WeakPolarHBondContact ND2-CE 3.38Å; N323-K326 WeakPolarHBondContact ND2-CG 3.29Å; N323-K326 PolarHBondContact O-N 3.22Å; N323-K326 PolarHBondContact OD1-N 3.4Å; N323-Y327 PolarHBondContact O-N 3.44Å
324W59.4Low51.1Low48 Ų48100.5 Ų100.518%0.18252%0.523CS..Hα-helixtrans-60.3-25.3-178.568.3-89.7000111.8K229 Y230 P322 Y327 L328K229-W324 HydrophobicContact CD-CH2 3.83Å; K229-W324 HydrophobicContact CG-CH2 4.22Å; Y230-W324 HydrophobicContact CD2-CB 4.04Å; Y230-W324 HydrophobicContact CD2-CD2 4.41Å; Y230-W324 HydrophobicContact CD2-CE3 4.1Å; Y230-W324 HydrophobicContact CD2-CG 4.43Å; Y230-W324 HydrophobicContact CE2-CB 4.06Å; P322-W324 PolarHBondContact O-N 2.81Å; W324-Y327 PolarHBondContact O-N 3.44Å; W324-L328 HydrophobicContact CE3-CD1 3.64Å; W324-L328 HydrophobicContact CE3-CG 4.37Å; W324-L328 HydrophobicContact CZ3-CD1 3.73Å; W324-L328 PolarHBondContact O-N 2.66Å
325K58.3Low52.3Low95 Ų95100 Ų10041%0.41351%0.508SS..Hα-helixtrans-60.8-48.5173-65.2-171.4177.9-1630110.8E197 N323 Y327 A329E197-K325 WeakPolarHBondContact OE1-CE 3.5Å; E197-K325 IonicContact OE1-NZ 2.83Å; E197-K325 PolarHBondContact OE1-NZ 2.96Å; E197-K325 WeakPolarHBondContact OE2-CD 3.44Å; E197-K325 WeakPolarHBondContact OE2-CE 3.08Å; E197-K325 IonicContact OE2-NZ 3.16Å; E197-K325 PolarHBondContact OE2-NZ 2.85Å; N323-K325 PolarHBondContact O-N 2.9Å; N323-K325 VanDerWaalsContact O-N 3.17Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; K325-Y327 PolarHBondContact O-N 3.42Å; K325-A329 WeakPolarHBondContact O-CB 3.05Å; K325-A329 PolarHBondContact O-N 3.32Å
326K60.8Low53.4Low151 Ų15191.5 Ų91.566%0.65748%0.478SS*.Hα-helixtrans-62.2-40174.2-78.6-172.6-178-175.50111.9N323 A329 S330N323-K326 HydrophobicContact CB-CB 4.42Å; N323-K326 VanDerWaalsContact ND2-CD 3.32Å; N323-K326 WeakPolarHBondContact ND2-CD 3.46Å; N323-K326 WeakPolarHBondContact ND2-CE 3.38Å; N323-K326 WeakPolarHBondContact ND2-CG 3.29Å; N323-K326 PolarHBondContact O-N 3.22Å; N323-K326 PolarHBondContact OD1-N 3.4Å; K326-A329 PolarHBondContact O-N 2.79Å; K326-S330 WeakPolarHBondContact O-CB 3.34Å; K326-S330 PolarHBondContact O-N 3.42Å; K326-S330 PolarHBondContact O-OG 2.86Å
327Y60.1Low54.4Low123 Ų12385.3 Ų85.348%0.48246%0.459SS..Hα-helixtrans-68.8-46-178.9-175.8-108000113.2N323 W324 K325 S330 L331N323-Y327 PolarHBondContact O-N 3.44Å; W324-Y327 PolarHBondContact O-N 3.44Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; K325-Y327 PolarHBondContact O-N 3.42Å; Y327-S330 PolarHBondContact O-N 2.99Å; Y327-S330 PolarHBondContact O-OG 3.19Å; Y327-L331 HydrophobicContact CD1-CD1 3.86Å; Y327-L331 HydrophobicContact CE1-CD1 3.41Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.41Å; Y327-L331 HydrophobicContact CE1-CG 4.31Å; Y327-L331 HydrophobicContact CE2-CD1 4.45Å; Y327-L331 WeakPolarHBondContact O-CG 3.17Å; Y327-L331 PolarHBondContact O-N 2.91Å
328L61.1Low55Low0 Ų088.2 Ų88.20%046%0.464CS..Hα-helixtrans-65.3-43.5173.4-78.5179.7000110.5F192 Y230 L234 W324 S330 L331 V332F192-L328 HydrophobicContact CE2-CD2 4.04Å; F192-L328 HydrophobicContact CZ-CD2 4.21Å; Y230-L328 HydrophobicContact CD2-CD1 4.1Å; Y230-L328 HydrophobicContact CD2-CG 4.44Å; L234-L328 HydrophobicContact CD2-CD2 3.65Å; L234-L328 HydrophobicContact CG-CD2 4.22Å; W324-L328 HydrophobicContact CE3-CD1 3.64Å; W324-L328 HydrophobicContact CE3-CG 4.37Å; W324-L328 HydrophobicContact CZ3-CD1 3.73Å; W324-L328 PolarHBondContact O-N 2.66Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 2.92Å; L328-L331 HydrophobicContact CD2-CD1 4.42Å; L328-L331 PolarHBondContact O-N 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.36Å
329A64.1Low55.4Low33 Ų3390.8 Ų90.827%0.27346%0.459SS..Hα-helixtrans-58.1-40.3176.600000112.5K325 K326 V332 A333K325-A329 WeakPolarHBondContact O-CB 3.05Å; K325-A329 PolarHBondContact O-N 3.32Å; K326-A329 PolarHBondContact O-N 2.79Å; A329-V332 PolarHBondContact O-N 2.83Å; A329-A333 PolarHBondContact O-N 3.31Å
330S64.6Low56.1Low63 Ų6390.4 Ų90.444%0.44146%0.456SS..Hα-helixtrans-68.9-38.517769.50000112.3K326 Y327 L328 A333 S334K326-S330 WeakPolarHBondContact O-CB 3.34Å; K326-S330 PolarHBondContact O-N 3.42Å; K326-S330 PolarHBondContact O-OG 2.86Å; Y327-S330 PolarHBondContact O-N 2.99Å; Y327-S330 PolarHBondContact O-OG 3.19Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 2.92Å; S330-A333 PolarHBondContact O-N 3.49Å; S330-S334 PolarHBondContact O-N 3.01Å
331L61.1Low56.4Low40 Ų4089 Ų8921%0.20945%0.453CS..Hα-helixtrans-64.9-36.3172.8-72.7172.8000112.6L234 L237 Y327 L328 A333 S334 K335L234-L331 HydrophobicContact CD2-CD1 4.26Å; L237-L331 HydrophobicContact CD2-CB 3.86Å; L237-L331 HydrophobicContact CD2-CD1 3.9Å; L237-L331 HydrophobicContact CD2-CG 4.36Å; Y327-L331 HydrophobicContact CD1-CD1 3.86Å; Y327-L331 HydrophobicContact CE1-CD1 3.41Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.41Å; Y327-L331 HydrophobicContact CE1-CG 4.31Å; Y327-L331 HydrophobicContact CE2-CD1 4.45Å; Y327-L331 WeakPolarHBondContact O-CG 3.17Å; Y327-L331 PolarHBondContact O-N 2.91Å; L328-L331 HydrophobicContact CD2-CD1 4.42Å; L328-L331 PolarHBondContact O-N 3.26Å; L331-A333 VanDerWaalsContact C-N 3.32Å; L331-S334 PolarHBondContact O-OG 3.09Å; L331-S334 VanDerWaalsContact O-OG 3.09Å; L331-K335 PolarHBondContact O-N 3.49Å
332V61.7Low55.9Low8 Ų893.9 Ų93.95%0.04847%0.474CS..Hα-helixtrans-64.9-40.7172.1-164.30000110.4F192 K198 L328 A329F192-V332 HydrophobicContact CD1-CB 4.09Å; F192-V332 HydrophobicContact CD1-CG1 3.81Å; F192-V332 HydrophobicContact CD1-CG2 3.53Å; F192-V332 HydrophobicContact CE1-CB 3.55Å; F192-V332 HydrophobicContact CE1-CG1 3.79Å; F192-V332 HydrophobicContact CE1-CG2 2.95Å; F192-V332 HydrophobicContact CZ-CB 4.46Å; F192-V332 HydrophobicContact CZ-CG2 3.56Å; K198-V332 HydrophobicContact CD-CG1 4.33Å; K198-V332 VanDerWaalsContact NZ-CB 3.35Å; L328-V332 WeakPolarHBondContact O-CG2 3.31Å; L328-V332 PolarHBondContact O-N 3.36Å; A329-V332 PolarHBondContact O-N 2.83Å
333A63Low56.3Low51 Ų5193.2 Ų93.242%0.42146%0.462SS..Hα-helixtrans-68-40.5-179.100000111.9A329 S330 L331 K336 S337A329-A333 PolarHBondContact O-N 3.31Å; S330-A333 PolarHBondContact O-N 3.49Å; L331-A333 VanDerWaalsContact C-N 3.32Å; A333-K336 PolarHBondContact O-N 3.18Å; A333-K336 VanDerWaalsContact O-N 3.09Å; A333-S337 PolarHBondContact O-N 2.98Å
334S59.5Low56Low48 Ų4893.3 Ų93.334%0.33646%0.461SS..Hα-helixtrans-65.9-39.1-178.968.10000113.2S330 L331 K336 S337 H338S330-S334 PolarHBondContact O-N 3.01Å; L331-S334 PolarHBondContact O-OG 3.09Å; L331-S334 VanDerWaalsContact O-OG 3.09Å; S334-K336 PolarHBondContact O-N 2.85Å; S334-S337 PolarHBondContact O-N 2.77Å; S334-S337 PolarHBondContact O-OG 2.86Å; S334-H338 PolarHBondContact O-N 3.23Å; S334-H338 VanDerWaalsContact O-N 3.08Å
335K58.4Low55.8Low120 Ų12095.8 Ų95.852%0.52248%0.477SS..Hα-helixtrans-62.7-24172.9-83.8-159.7-178.9-174.30113.1L237 L331L237-K335 HydrophobicContact CD1-CD 3.68Å; L237-K335 VanDerWaalsContact CD1-CE 3.44Å; L237-K335 HydrophobicContact CD1-CG 4.48Å; L237-K335 PolarHBondContact O-NZ 3.43Å; L331-K335 PolarHBondContact O-N 3.49Å
336K55.4Low55.7Low66 Ų6695.8 Ų95.829%0.28748%0.48SS..Hα-helixtrans-85.7-36.6174.6-67.6-163.2178.3-1500112.4H261 K262 A333 S334H261-K336 PolarHBondContact O-NZ 3.32Å; K262-K336 PolarHBondContact O-NZ 2.88Å; A333-K336 PolarHBondContact O-N 3.18Å; A333-K336 VanDerWaalsContact O-N 3.09Å; S334-K336 PolarHBondContact O-N 2.85Å
337S54.1Low55.3Low67 Ų6792.4 Ų92.447%0.46947%0.469SS..Hα-helixtrans-78.3-32.8-177.463.70000114.4A333 S334 R339 S340A333-S337 PolarHBondContact O-N 2.98Å; S334-S337 PolarHBondContact O-N 2.77Å; S334-S337 PolarHBondContact O-OG 2.86Å; S337-R339 PolarHBondContact O-N 3.33Å; S337-S340 PolarHBondContact O-N 2.93Å
338H52.2Low55Low153 Ų15390.3 Ų90.371%0.70847%0.469SS*.THydrogen-bonded Turntrans-670.8179.2-92.236.9000115.2S334S334-H338 PolarHBondContact O-N 3.23Å; S334-H338 VanDerWaalsContact O-N 3.08Å
339R47Very low54.6Low172 Ų17296.8 Ų96.865%0.64950%0.502SS*.THydrogen-bonded Turntrans-125.12.7178.6-91.3-176.6170.4-175.5-4.8115.1S337 Q341S337-R339 PolarHBondContact O-N 3.33Å; R339-Q341 VanDerWaalsContact C-N 3.26Å
340S47.5Very low53.9Low108 Ų108101.7 Ų101.776%0.75552%0.52SS*.SBendtrans-88.66.9163.6-67.10000112.7S337S337-S340 PolarHBondContact O-N 2.93Å
341Q41.7Very low53Low179 Ų179104.9 Ų104.984%0.83653%0.526SS*.  trans-123.217.4177.7-72.5-174.1-33.900113.1R339R339-Q341 VanDerWaalsContact C-N 3.26Å
342K33.9Very low52.2Low247 Ų247110.8 Ų110.8100%1.07456%0.555SS**  trans-136.20164.8-78.5-169.4176.7-171.60107.6

Retrieved 342 of 342 residues in 151.6 ms (Link to these results)

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