A0A023JDW0_HUMAN Loading...

Transient receptor potential cation channel subfamily M member 3

AlphaFold DB , UniProt , Accession A0A023JDW0, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 355 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
1M45.7Very low72Confident199 Ų19991.4 Ų91.498%0.9846%0.46SS*.  0-290-74.1-174.3-159.800114.5
2L43.1Very low74.1Confident163 Ų16383.8 Ų83.885%0.85342%0.421SS*.Hα-helixtrans-69.7-30178.6-81.5152.1000114.6
3A52.4Low76Confident80 Ų8085.4 Ų85.466%0.66142%0.421SS*.Hα-helixtrans-73.5-35.2-176.400000114.4S6A3-S6 PolarHBondContact O-OG 2.95Å
4Q51Low77.5Confident99 Ų9980.6 Ų80.646%0.46340%0.396SS..Hα-helixtrans-67.8-41.6179.2-96.5175.6-40.700112.4S6 W7Q4-S6 PolarHBondContact O-N 3.04Å; Q4-S6 VanDerWaalsContact O-N 3.17Å; Q4-W7 WeakPolarHBondContact O-CB 3.5Å; Q4-W7 PolarHBondContact O-N 3.23Å
5K60.4Low78.7Confident105 Ų10576.6 Ų76.646%0.45738%0.375SS..Hα-helixtrans-65-23.5-176.9-64.2176.6169.7-138.60113.4W7 D210K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.35Å; K5-D210 VanDerWaalsContact CD-OD2 3.23Å; K5-D210 WeakPolarHBondContact CD-OD2 3.37Å; K5-D210 VanDerWaalsContact CE-OD2 3.26Å; K5-D210 WeakPolarHBondContact CE-OD2 3.11Å; K5-D210 IonicContact NZ-OD2 3.09Å; K5-D210 PolarHBondContact NZ-OD2 3.34Å
6S72.6Confident79.7Confident42 Ų4275.7 Ų75.729%0.29437%0.37SS..Hα-helixtrans-73.8-12.8171.780.20000114.5A3 Q4 R10A3-S6 PolarHBondContact O-OG 2.95Å; Q4-S6 PolarHBondContact O-N 3.04Å; Q4-S6 VanDerWaalsContact O-N 3.17Å; S6-R10 WeakPolarHBondContact O-CG 3.38Å; S6-R10 PolarHBondContact O-NE 3.27Å; S6-R10 PolarHBondContact OG-NH2 3.25Å
7W93.4Very high80.6Confident50 Ų5071.5 Ų71.519%0.18935%0.35CS..Hα-helixtrans-76.7-44.2-173.6179.985.8000111.6Q4 K5 E9 R10 A11 F12 L109 H112 L113 E117Q4-W7 WeakPolarHBondContact O-CB 3.5Å; Q4-W7 PolarHBondContact O-N 3.23Å; K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.35Å; W7-E9 VanDerWaalsContact C-N 3.31Å; W7-E9 PolarHBondContact O-N 3.47Å; W7-R10 PolarHBondContact O-N 3.09Å; W7-A11 HydrophobicContact CD2-CB 3.89Å; W7-A11 HydrophobicContact CE3-CB 4.13Å; W7-A11 HydrophobicContact CH2-CB 3.83Å; W7-A11 HydrophobicContact CZ2-CB 3.58Å; W7-A11 HydrophobicContact CZ3-CB 4.12Å; W7-A11 VanDerWaalsContact O-CB 3.23Å; W7-A11 WeakPolarHBondContact O-CB 3.29Å; W7-A11 PolarHBondContact O-N 3.33Å; W7-F12 HydrophobicContact CE3-CE2 4.46Å; W7-F12 AromaticContact CH2-CE2 3.84Å; W7-F12 HydrophobicContact CH2-CE2 3.84Å; W7-F12 HydrophobicContact CH2-CZ 4.01Å; W7-F12 HydrophobicContact CZ3-CD2 4.41Å; W7-F12 AromaticContact CZ3-CE2 3.54Å; W7-F12 HydrophobicContact CZ3-CE2 3.54Å; W7-F12 HydrophobicContact CZ3-CZ 4.14Å; W7-L109 HydrophobicContact CH2-CD2 4.44Å; W7-L109 HydrophobicContact CZ2-CD2 3.85Å; W7-H112 AromaticContact CE2-CD2 3.81Å; W7-H112 HydrophobicContact CH2-CB 4.04Å; W7-H112 AromaticContact CH2-CD2 3.42Å; W7-H112 VanDerWaalsContact CH2-CD2 3.42Å; W7-H112 WeakPolarHBondContact CH2-CD2 3.42Å; W7-H112 AromaticContact CH2-CG 3.98Å; W7-H112 HydrophobicContact CZ2-CB 4.24Å; W7-H112 AromaticContact CZ2-CD2 3.42Å; W7-H112 VanDerWaalsContact CZ2-CD2 3.42Å; W7-H112 WeakPolarHBondContact CZ2-CD2 3.42Å; W7-H112 AromaticContact CZ2-CG 3.9Å; W7-H112 AromaticContact CZ3-CD2 3.79Å; W7-L113 HydrophobicContact CZ3-CB 4.23Å; W7-L113 HydrophobicContact CZ3-CD1 4.48Å; W7-E117 HydrophobicContact CE3-CG 3.83Å; W7-E117 HydrophobicContact CZ3-CG 3.99Å
8I94.3Very high81.4Confident15 Ų1570.3 Ų70.38%0.07735%0.347CS..Hα-helixtrans-56.2-46.4-179.1-70.4174.3000111R10 A11 F12 T79 F82 V99 L113 E117I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.9Å; I8-A11 PolarHBondContact O-N 3.17Å; I8-F12 HydrophobicContact CB-CD2 4.45Å; I8-F12 HydrophobicContact CG2-CD2 4.02Å; I8-F12 PolarHBondContact O-N 3.37Å; I8-T79 HydrophobicContact CG2-CG2 4.12Å; I8-F82 HydrophobicContact CB-CD2 4.25Å; I8-F82 HydrophobicContact CB-CE2 4.13Å; I8-F82 HydrophobicContact CB-CZ 4.45Å; I8-F82 HydrophobicContact CD1-CD2 3.95Å; I8-F82 HydrophobicContact CD1-CE2 4.27Å; I8-F82 HydrophobicContact CG2-CB 4.13Å; I8-F82 HydrophobicContact CG2-CD1 3.82Å; I8-F82 HydrophobicContact CG2-CD2 3.64Å; I8-F82 HydrophobicContact CG2-CE1 4.08Å; I8-F82 HydrophobicContact CG2-CE2 3.89Å; I8-F82 HydrophobicContact CG2-CG 3.59Å; I8-F82 HydrophobicContact CG2-CZ 4.12Å; I8-V99 HydrophobicContact CG2-CG2 4.31Å; I8-L113 HydrophobicContact CD1-CD1 3.76Å; I8-L113 HydrophobicContact CG1-CD1 3.92Å; I8-E117 HydrophobicContact CG1-CG 4.49Å
9E89.9Confident81.9Confident73 Ų7369.9 Ų69.934%0.34134%0.344SS..Hα-helixtrans-63.2-31.6179.3-65.1-179.9179.400113.2W7 F82 R209W7-E9 VanDerWaalsContact C-N 3.31Å; W7-E9 PolarHBondContact O-N 3.47Å; E9-F82 HydrophobicContact CG-CE1 3.65Å; E9-F82 HydrophobicContact CG-CZ 3.58Å; E9-R209 VanDerWaalsContact OE1-CD 3.3Å; E9-R209 WeakPolarHBondContact OE1-CD 3.17Å
10R92.3Very high82.4Confident164 Ų16466.5 Ų66.562%0.61933%0.328SS*.Hα-helixtrans-85.6-29.3178.8-69.2-176.4-68.4149.7-4.6112.7S6 W7 I8S6-R10 WeakPolarHBondContact O-CG 3.38Å; S6-R10 PolarHBondContact O-NE 3.27Å; S6-R10 PolarHBondContact OG-NH2 3.25Å; W7-R10 PolarHBondContact O-N 3.09Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.9Å
11A96.5Very high82.9Confident15 Ų1564.1 Ų64.112%0.12432%0.316CS..Hα-helixtrans-88.4-33.2-174.700000112.8W7 I8W7-A11 HydrophobicContact CD2-CB 3.89Å; W7-A11 HydrophobicContact CE3-CB 4.13Å; W7-A11 HydrophobicContact CH2-CB 3.83Å; W7-A11 HydrophobicContact CZ2-CB 3.58Å; W7-A11 HydrophobicContact CZ3-CB 4.12Å; W7-A11 VanDerWaalsContact O-CB 3.23Å; W7-A11 WeakPolarHBondContact O-CB 3.29Å; W7-A11 PolarHBondContact O-N 3.33Å; I8-A11 PolarHBondContact O-N 3.17Å
12F98.2Very high85.1Confident0 Ų056.5 Ų56.50%028%0.281CS..  trans-116.1140.4-173.3-62.2-68.3000112.9W7 I8 T79 V99 V101 T105 L109 L110 L113W7-F12 HydrophobicContact CE3-CE2 4.46Å; W7-F12 AromaticContact CH2-CE2 3.84Å; W7-F12 HydrophobicContact CH2-CE2 3.84Å; W7-F12 HydrophobicContact CH2-CZ 4.01Å; W7-F12 HydrophobicContact CZ3-CD2 4.41Å; W7-F12 AromaticContact CZ3-CE2 3.54Å; W7-F12 HydrophobicContact CZ3-CE2 3.54Å; W7-F12 HydrophobicContact CZ3-CZ 4.14Å; I8-F12 HydrophobicContact CB-CD2 4.45Å; I8-F12 HydrophobicContact CG2-CD2 4.02Å; I8-F12 PolarHBondContact O-N 3.37Å; F12-T79 HydrophobicContact CB-CG2 3.84Å; F12-T79 PolarHBondContact O-N 2.9Å; F12-V99 HydrophobicContact CD2-CG2 4.3Å; F12-V101 HydrophobicContact CB-CG1 4.12Å; F12-V101 HydrophobicContact CD1-CB 4.17Å; F12-V101 HydrophobicContact CD1-CG1 3.48Å; F12-V101 VanDerWaalsContact CD1-CG1 3.48Å; F12-V101 HydrophobicContact CE1-CG1 4.01Å; F12-V101 HydrophobicContact CG-CG1 3.82Å; F12-T105 HydrophobicContact CD1-CG2 3.57Å; F12-T105 HydrophobicContact CE1-CG2 3.49Å; F12-T105 VanDerWaalsContact CE1-CG2 3.49Å; F12-L109 HydrophobicContact CE1-CB 3.88Å; F12-L109 HydrophobicContact CZ-CB 4.08Å; F12-L110 HydrophobicContact CE1-CD2 3.7Å; F12-L110 HydrophobicContact CE1-CG 4.38Å; F12-L110 HydrophobicContact CZ-CD2 4.15Å; F12-L113 HydrophobicContact CE2-CB 4.03Å; F12-L113 HydrophobicContact CE2-CD1 4.04Å; F12-L113 HydrophobicContact CE2-CD2 4.2Å; F12-L113 HydrophobicContact CE2-CG 4.33Å; F12-L113 HydrophobicContact CZ-CB 3.88Å; F12-L113 HydrophobicContact CZ-CD2 4.18Å; F12-L113 HydrophobicContact CZ-CG 4.48Å
13Y98.1Very high87.4Confident105 Ų10550 Ų5041%0.41225%0.25SC..EExtended strand (participates in β ladder)trans-118.2154.2178.9-65.1-97.2000109.5L76 S77 V101 S102Y13-L76 HydrophobicContact CD1-CB 4.36Å; Y13-S77 CarbonylContact C-O 3.57Å; Y13-S77 WeakPolarHBondContact CA-O 3.45Å; Y13-S77 WeakPolarHBondContact CB-O 3.45Å; Y13-V101 CarbonylContact O-C 3.59Å; Y13-V101 WeakPolarHBondContact O-CA 3.36Å; Y13-S102 PolarHBondContact O-N 2.97Å
14K97Very high89.1Confident18 Ų1853.3 Ų53.38%0.07826%0.262CS..EExtended strand (participates in β ladder)trans-105.3169.1164.860.2163.1172.5163.40110.4E16 L76 S77 D80 R100K14-E16 HydrophobicContact CD-CG 4.38Å; K14-E16 WeakPolarHBondContact CE-OE2 3.48Å; K14-E16 IonicContact NZ-OE2 3.71Å; K14-E16 PolarHBondContact NZ-OE2 3.17Å; K14-L76 WeakPolarHBondContact O-CA 3.47Å; K14-S77 WeakPolarHBondContact CE-OG 3.49Å; K14-S77 PolarHBondContact N-O 3.49Å; K14-S77 PolarHBondContact O-N 2.95Å; K14-S77 VanDerWaalsContact O-N 3.16Å; K14-D80 WeakPolarHBondContact CD-OD1 3.34Å; K14-D80 WeakPolarHBondContact CE-OD1 3.46Å; K14-D80 VanDerWaalsContact CE-OD2 3.26Å; K14-D80 WeakPolarHBondContact CE-OD2 3.43Å; K14-D80 IonicContact NZ-OD1 2.85Å; K14-D80 IonicContact NZ-OD2 2.77Å; K14-D80 PolarHBondContact NZ-OD2 2.94Å; K14-R100 HydrophobicContact CB-CG 4.37Å
15R96.3Very high90.9Very high21 Ų2157.9 Ų57.98%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-124.3136.2176.1-75.7-175.1176.7-88.3-1.7111.6T74 Q75 L76 R100 S102 D104 D239 G241R15-T74 PolarHBondContact NH1-OG1 2.95Å; R15-T74 VanDerWaalsContact NH1-OG1 3.13Å; R15-Q75 WeakPolarHBondContact CA-O 3.38Å; R15-L76 HydrophobicContact CG-CD2 3.48Å; R15-L76 VanDerWaalsContact CG-CD2 3.48Å; R15-L76 HydrophobicContact CG-CG 4.21Å; R15-R100 PolarHBondContact O-NH2 3.45Å; R15-S102 WeakPolarHBondContact CD-OG 3.34Å; R15-S102 PolarHBondContact NE-OG 2.82Å; R15-D104 IonicContact CZ-OD2 2.81Å; R15-D104 IonicContact NE-OD1 3.78Å; R15-D104 IonicContact NE-OD2 3.39Å; R15-D104 IonicContact NH2-OD1 3.85Å; R15-D104 IonicContact NH2-OD2 3.79Å; R15-D104 PolarHBondContact NH2-OD2 2.89Å; R15-D239 PolarHBondContact N-OD2 3.43Å; R15-G241 WeakPolarHBondContact O-CA 3.36Å
16E94.5Very high92.3Very high62 Ų6255.2 Ų55.229%0.2927%0.271SS..EExtended strand (participates in β ladder)trans-129.5140.7176.6-57.7-16087.300110.9K14 V18 T74 Q75K14-E16 HydrophobicContact CD-CG 4.38Å; K14-E16 WeakPolarHBondContact CE-OE2 3.48Å; K14-E16 IonicContact NZ-OE2 3.71Å; K14-E16 PolarHBondContact NZ-OE2 3.17Å; E16-V18 PolarHBondContact O-N 3.46Å; E16-T74 CarbonylContact O-C 3.15Å; E16-T74 WeakPolarHBondContact O-CA 3.28Å; E16-T74 WeakPolarHBondContact O-CB 3.35Å; E16-Q75 PolarHBondContact N-O 3.26Å; E16-Q75 PolarHBondContact O-N 3.4Å
17C95.1Very high93.1Very high5 Ų556.9 Ų56.93%0.03428%0.28CS..EExtended strand (participates in β ladder)trans-72.8116177.2-173.20000110H19 C32 H39 W68 H73C17-H19 PolarHBondContact SG-O 2.87Å; C17-C32 HydrophobicContact CB-CB 3.8Å; C17-C32 VanDerWaalsContact SG-CB 3.59Å; C17-H39 PolarHBondContact O-ND1 3.45Å; C17-W68 PolarHBondContact SG-NE1 3.43Å; C17-H73 CarbonylContact C-O 3.6Å; C17-H73 WeakPolarHBondContact CA-O 3.45Å
18V94.1Very high93.1Very high50 Ų5061.2 Ų61.230%0.30330%0.303SS..  trans-1072.9-176.1-64.70000113.7E16 L42 H73 Q75E16-V18 PolarHBondContact O-N 3.46Å; V18-L42 WeakPolarHBondContact O-CD2 3.49Å; V18-H73 PolarHBondContact N-O 3.07Å; V18-Q75 HydrophobicContact CB-CB 4.4Å; V18-Q75 HydrophobicContact CG1-CB 3.51Å; V18-Q75 HydrophobicContact CG2-CB 4.02Å
19H91.5Very high93Very high63 Ų6365.3 Ų65.329%0.29232%0.317SS..SBendtrans-136.3132.5178-159.676.4000110.7C17 S45 H73C17-H19 PolarHBondContact SG-O 2.87Å; H19-S45 PolarHBondContact CD2-OG 3.22Å; H19-S45 VanDerWaalsContact CD2-OG 3.31Å; H19-S45 PolarHBondContact CE1-OG 2.67Å; H19-S45 PolarHBondContact ND1-OG 2.91Å; H19-S45 PolarHBondContact NE2-OG 3.28Å; H19-H73 HydrophobicContact CB-CB 4Å; H19-H73 AromaticContact CD2-CD2 3.45Å; H19-H73 PolarHBondContact CD2-CD2 2.92Å; H19-H73 VanDerWaalsContact CD2-CD2 3.45Å; H19-H73 AromaticContact CG-CD2 3.82Å
20I92.1Very high93.2Very high1 Ų161.9 Ų61.91%0.00530%0.301CS..  trans-96.2108.2-176.9-60174000108.7C30 I36 H39 L42 P44 S45I20-C30 HydrophobicContact CG2-CB 4.41Å; I20-I36 HydrophobicContact CD1-CG2 4.44Å; I20-I36 HydrophobicContact CG2-CG1 4.1Å; I20-I36 HydrophobicContact CG2-CG2 4.48Å; I20-H39 HydrophobicContact CD1-CB 3.63Å; I20-H39 HydrophobicContact CG1-CB 3.97Å; I20-L42 HydrophobicContact CD1-CB 3.88Å; I20-L42 HydrophobicContact CG1-CB 4.25Å; I20-P44 HydrophobicContact CD1-CG 4.42Å; I20-P44 HydrophobicContact CG2-CB 4.2Å; I20-S45 WeakPolarHBondContact O-CB 3.42Å; I20-S45 PolarHBondContact O-N 2.69Å; I20-S45 PolarHBondContact O-OG 3.34Å; I20-S45 VanDerWaalsContact O-OG 3.08Å
21I92.4Very high93.4Very high17 Ų1755.6 Ų55.69%0.08728%0.282CS..  trans-112.6110.6170.1-63.7175.1000107.6C30 C31 E66 W68 H73I21-C30 PolarHBondContact N-SG 3Å; I21-C30 CarbonylContact O-C 3.28Å; I21-C30 WeakPolarHBondContact O-CA 3.24Å; I21-C31 PolarHBondContact O-N 3.48Å; I21-C31 PolarHBondContact O-SG 3.17Å; I21-C31 VanDerWaalsContact O-SG 3.33Å; I21-E66 HydrophobicContact CD1-CB 4.48Å; I21-E66 HydrophobicContact CD1-CG 4.21Å; I21-W68 HydrophobicContact CB-CB 4.24Å; I21-W68 HydrophobicContact CD1-CB 3.93Å; I21-W68 HydrophobicContact CD1-CG 4.42Å; I21-W68 HydrophobicContact CG2-CB 4.48Å; I21-H73 VanDerWaalsContact CD1-NE2 3.26Å; I21-H73 WeakPolarHBondContact CD1-NE2 3.34Å
22P91.8Very high93.3Very high38 Ų3854.9 Ų54.925%0.24728%0.276CS..EExtended strand (participates in β ladder)trans-55.4139.1179.5-25.935000112.4
23S90.6Very high93.1Very high28 Ų2855.6 Ų55.620%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-74.8134.4175.3169.30000110.2K25 D26 R29S23-K25 PolarHBondContact O-N 2.69Å; S23-K25 PolarHBondContact OG-N 3.35Å; S23-D26 WeakPolarHBondContact CB-O 3.31Å; S23-D26 CarbonylContact O-C 3.44Å; S23-D26 VanDerWaalsContact O-C 3.28Å; S23-D26 PolarHBondContact O-N 2.95Å; S23-R29 WeakPolarHBondContact CB-O 3.4Å; S23-R29 PolarHBondContact N-O 3Å
24T89.6Confident92.8Very high148 Ų14852.3 Ų52.391%0.90827%0.27SS*.THydrogen-bonded Turntrans-65-21174.755.20000113.3
25K89.3Confident92.6Very high196 Ų19654.6 Ų54.685%0.85228%0.283SS*.THydrogen-bonded Turntrans-88.1-25.1178.7-62.7-174.2179.4-1750113.6S23S23-K25 PolarHBondContact O-N 2.69Å; S23-K25 PolarHBondContact OG-N 3.35Å
26D89.1Confident92.3Very high48 Ų4855.9 Ų55.926%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-153.798.5-176.2-179.1-8.2000108.1S23 H28 R29S23-D26 WeakPolarHBondContact CB-O 3.31Å; S23-D26 CarbonylContact O-C 3.44Å; S23-D26 VanDerWaalsContact O-C 3.28Å; S23-D26 PolarHBondContact O-N 2.95Å; D26-H28 PolarHBondContact O-N 3.29Å; D26-H28 VanDerWaalsContact O-N 3.09Å; D26-H28 WeakPolarHBondContact OD1-CB 3.24Å; D26-H28 IonicContact OD1-CD2 3.92Å; D26-H28 PolarHBondContact OD1-N 3.45Å; D26-R29 HydrophobicContact CB-CB 4.31Å; D26-R29 HydrophobicContact CB-CG 4.37Å; D26-R29 PolarHBondContact O-N 3.44Å; D26-R29 WeakPolarHBondContact OD2-CD 3.22Å; D26-R29 WeakPolarHBondContact OD2-CG 3.24Å; D26-R29 IonicContact OD2-NE 3.51Å; D26-R29 PolarHBondContact OD2-NE 3.41Å
27P89.9Confident92Very high77 Ų7756.7 Ų56.750%0.532%0.316SS..EExtended strand (participates in β ladder)trans-60.6-18-177.7-25.535.2000114.3R29 I36P27-R29 VanDerWaalsContact C-N 3.28Å; P27-I36 WeakPolarHBondContact O-CD1 3.26Å
28H91.7Very high91.6Very high142 Ų14261.4 Ų61.466%0.65734%0.338SS*.EExtended strand (participates in β ladder)trans-83.8-3.6177-60.5-64.9000113.2D26 I36D26-H28 PolarHBondContact O-N 3.29Å; D26-H28 VanDerWaalsContact O-N 3.09Å; D26-H28 WeakPolarHBondContact OD1-CB 3.24Å; D26-H28 IonicContact OD1-CD2 3.92Å; D26-H28 PolarHBondContact OD1-N 3.45Å; H28-I36 PolarHBondContact O-N 3.18Å
29R93.3Very high91.3Very high100 Ų10059.6 Ų59.638%0.37733%0.326SS..EExtended strand (participates in β ladder)trans-115.5140.9178.7-69.8179.7-171-85.3-6.6111.8S23 D26 P27 G33 R34 L35S23-R29 WeakPolarHBondContact CB-O 3.4Å; S23-R29 PolarHBondContact N-O 3Å; D26-R29 HydrophobicContact CB-CB 4.31Å; D26-R29 HydrophobicContact CB-CG 4.37Å; D26-R29 PolarHBondContact O-N 3.44Å; D26-R29 WeakPolarHBondContact OD2-CD 3.22Å; D26-R29 WeakPolarHBondContact OD2-CG 3.24Å; D26-R29 IonicContact OD2-NE 3.51Å; D26-R29 PolarHBondContact OD2-NE 3.41Å; P27-R29 VanDerWaalsContact C-N 3.28Å; R29-G33 PolarHBondContact NH1-O 2.91Å; R29-R34 WeakPolarHBondContact CA-O 3.37Å; R29-L35 HydrophobicContact CG-CD2 3.91Å
30C94.5Very high90.6Very high2 Ų263.4 Ų63.41%0.01435%0.353CS..EExtended strand (participates in β ladder)trans-70.8153.8164.1-1790000110I20 I21 C32 G33 R34 H39I20-C30 HydrophobicContact CG2-CB 4.41Å; I21-C30 PolarHBondContact N-SG 3Å; I21-C30 CarbonylContact O-C 3.28Å; I21-C30 WeakPolarHBondContact O-CA 3.24Å; C30-C32 PolarHBondContact O-N 2.8Å; C30-C32 VanDerWaalsContact O-N 3.09Å; C30-C32 VanDerWaalsContact SG-SG 3.64Å; C30-G33 WeakPolarHBondContact O-CA 3.38Å; C30-G33 PolarHBondContact O-N 3.04Å; C30-R34 PolarHBondContact N-O 2.84Å; C30-H39 WeakPolarHBondContact CB-NE2 3.39Å
31C95Very high89.5Confident31 Ų3167.3 Ų67.321%0.20939%0.394CS..THydrogen-bonded Turntrans-58.8-17.9172.6-75.50000113.3I21 G33 W68 K245I21-C31 PolarHBondContact O-N 3.48Å; I21-C31 PolarHBondContact O-SG 3.17Å; I21-C31 VanDerWaalsContact O-SG 3.33Å; C31-G33 VanDerWaalsContact C-N 3.25Å; C31-G33 PolarHBondContact O-N 2.73Å; C31-W68 HydrophobicContact CB-CB 3.36Å; C31-W68 HydrophobicContact CB-CD2 4.28Å; C31-W68 HydrophobicContact CB-CG 3.59Å; C31-K245 PolarHBondContact O-NZ 2.91Å
32C94.3Very high88.6Confident0 Ų069.4 Ų69.40%041%0.405CS..THydrogen-bonded Turntrans-71.1-19.9170.173.90000112.9C17 C30 H39 W68 T242 T243C17-C32 HydrophobicContact CB-CB 3.8Å; C17-C32 VanDerWaalsContact SG-CB 3.59Å; C30-C32 PolarHBondContact O-N 2.8Å; C30-C32 VanDerWaalsContact O-N 3.09Å; C30-C32 VanDerWaalsContact SG-SG 3.64Å; C32-H39 PolarHBondContact SG-NE2 3.35Å; C32-W68 HydrophobicContact CB-CZ2 3.78Å; C32-T242 CarbonylContact O-C 3.49Å; C32-T242 WeakPolarHBondContact O-CA 3.3Å; C32-T242 VanDerWaalsContact O-CB 3.27Å; C32-T242 WeakPolarHBondContact O-CB 3.29Å; C32-T243 PolarHBondContact O-N 2.79Å
33G94.3Very high87.2Confident15 Ų1573.5 Ų73.516%0.15543%0.43CS..SBendtrans109.3-17.4179.300000114.8R29 C30 C31R29-G33 PolarHBondContact NH1-O 2.91Å; C30-G33 WeakPolarHBondContact O-CA 3.38Å; C30-G33 PolarHBondContact O-N 3.04Å; C31-G33 VanDerWaalsContact C-N 3.25Å; C31-G33 PolarHBondContact O-N 2.73Å
34R92.6Very high85.9Confident36 Ų3675.2 Ų75.214%0.13644%0.44CS..SBendtrans-70.9151.2174.9-63.4-175.4-173.5-178.50.9111.3R29 C30 Q38 T243R29-R34 WeakPolarHBondContact CA-O 3.37Å; C30-R34 PolarHBondContact N-O 2.84Å; R34-Q38 HydrophobicContact CB-CB 4.31Å; R34-T243 WeakPolarHBondContact CG-OG1 3.48Å; R34-T243 PolarHBondContact NE-OG1 3.01Å
35L92.3Very high84.5Confident67 Ų6769.7 Ų69.735%0.35141%0.407SS..BIsolated β-bridgetrans-65.3147.7166.6-67.5167.9000109.3R29 G37 Q38R29-L35 HydrophobicContact CG-CD2 3.91Å; L35-G37 PolarHBondContact O-N 2.81Å; L35-Q38 HydrophobicContact CB-CG 4.04Å; L35-Q38 WeakPolarHBondContact O-CB 3.4Å; L35-Q38 PolarHBondContact O-N 3.2Å
36I90.9Very high82.5Confident47 Ų4768.7 Ų68.724%0.24141%0.41CS..G310 helixtrans-55-42.6-179.7-70173.8000111.2I20 P27 H28 Q38 H39 P44I20-I36 HydrophobicContact CD1-CG2 4.44Å; I20-I36 HydrophobicContact CG2-CG1 4.1Å; I20-I36 HydrophobicContact CG2-CG2 4.48Å; P27-I36 WeakPolarHBondContact O-CD1 3.26Å; H28-I36 PolarHBondContact O-N 3.18Å; I36-Q38 PolarHBondContact O-N 2.88Å; I36-Q38 VanDerWaalsContact O-N 3.16Å; I36-H39 PolarHBondContact O-N 3.47Å; I36-P44 HydrophobicContact CG2-CG 3.91Å
37G87Confident80.4Confident80 Ų8069.2 Ų69.283%0.82542%0.417SS*.G310 helixtrans-67.8-9.717800000115.7L35 H39L35-G37 PolarHBondContact O-N 2.81Å; G37-H39 VanDerWaalsContact C-N 3.35Å
38Q88.5Confident78.3Confident104 Ų10471 Ų7149%0.48643%0.426SS..G310 helixtrans-87.7-4.9175.7-68.4175-40.400112.8R34 L35 I36 V40R34-Q38 HydrophobicContact CB-CB 4.31Å; L35-Q38 HydrophobicContact CB-CG 4.04Å; L35-Q38 WeakPolarHBondContact O-CB 3.4Å; L35-Q38 PolarHBondContact O-N 3.2Å; I36-Q38 PolarHBondContact O-N 2.88Å; I36-Q38 VanDerWaalsContact O-N 3.16Å; Q38-V40 PolarHBondContact O-N 3.31Å
39H87.6Confident75.8Confident12 Ų1271.9 Ų71.96%0.05644%0.435CS..SBendtrans-85.5102.2171.7-74.8-91.3000109.5C17 I20 C30 C32 I36 G37 L42C17-H39 PolarHBondContact O-ND1 3.45Å; I20-H39 HydrophobicContact CD1-CB 3.63Å; I20-H39 HydrophobicContact CG1-CB 3.97Å; C30-H39 WeakPolarHBondContact CB-NE2 3.39Å; C32-H39 PolarHBondContact SG-NE2 3.35Å; I36-H39 PolarHBondContact O-N 3.47Å; G37-H39 VanDerWaalsContact C-N 3.35Å; H39-L42 HydrophobicContact CB-CB 4.2Å; H39-L42 HydrophobicContact CB-CD1 4.1Å
40V76.1Confident73.1Confident142 Ų14275.6 Ų75.686%0.86146%0.456SS*.THydrogen-bonded Turntrans-73.1128.1178.8-1770000110Q38 L42Q38-V40 PolarHBondContact O-N 3.31Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.45Å
41G69.3Low70.3Confident84 Ų8482.5 Ų82.587%0.86649%0.494SS*.THydrogen-bonded Turntrans73.91117200000115.9
42L73Confident67.8Low61 Ų6189.5 Ų89.532%0.31952%0.523SS..  trans-113.9129178.6-63.4168.8000110V18 I20 H39 V40V18-L42 WeakPolarHBondContact O-CD2 3.49Å; I20-L42 HydrophobicContact CD1-CB 3.88Å; I20-L42 HydrophobicContact CG1-CB 4.25Å; H39-L42 HydrophobicContact CB-CB 4.2Å; H39-L42 HydrophobicContact CB-CD1 4.1Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.45Å
43T63.5Low65.2Low123 Ų12398.3 Ų98.376%0.75556%0.561SS**PPolyproline II helixtrans-81.9142.7166.8490000109.6S45T43-S45 PolarHBondContact O-N 2.93Å
44P62.4Low62.3Low64 Ų64104.9 Ų104.942%0.41659%0.593SS.*PPolyproline II helixtrans-56.4132.6173.4-2332.9000110.5I20 I36 I46I20-P44 HydrophobicContact CD1-CG 4.42Å; I20-P44 HydrophobicContact CG2-CB 4.2Å; I36-P44 HydrophobicContact CG2-CG 3.91Å; P44-I46 PolarHBondContact O-N 3.34Å; P44-I46 VanDerWaalsContact O-N 3.1Å
45S59.3Low59.8Low32 Ų32112.8 Ų112.822%0.22463%0.631CS.*PPolyproline II helixtrans-58.8119.6170.2-49.30000107.3H19 I20 T43 S47H19-S45 PolarHBondContact CD2-OG 3.22Å; H19-S45 VanDerWaalsContact CD2-OG 3.31Å; H19-S45 PolarHBondContact CE1-OG 2.67Å; H19-S45 PolarHBondContact ND1-OG 2.91Å; H19-S45 PolarHBondContact NE2-OG 3.28Å; I20-S45 WeakPolarHBondContact O-CB 3.42Å; I20-S45 PolarHBondContact O-N 2.69Å; I20-S45 PolarHBondContact O-OG 3.34Å; I20-S45 VanDerWaalsContact O-OG 3.08Å; T43-S45 PolarHBondContact O-N 2.93Å; S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 3.42Å
46I49.2Very low57.2Low176 Ų176114.5 Ų114.590%0.90365%0.649SS**  trans-67.890.3-175.4-57.1173.9000108P44P44-I46 PolarHBondContact O-N 3.34Å; P44-I46 VanDerWaalsContact O-N 3.1Å
47S43.5Very low54.8Low58 Ų58124.5 Ų124.541%0.40668%0.684SS.*  trans-126.992.3162.6640000108.3S45S45-S47 VanDerWaalsContact C-N 3.28Å; S45-S47 PolarHBondContact O-N 3.42Å
48V45.8Very low52.4Low115 Ų115128 Ų12870%0.69768%0.683SS**SBendtrans67.873.6157-160.60000116.5
49L39.9Very low49.8Very low160 Ų160128.5 Ų128.584%0.83870%0.697SS**  trans-133.523.5153.3-84.6173.3000113
50Q36.9Very low47.4Very low178 Ų178140 Ų14083%0.83274%0.74SS**  trans-132.8100.3166-74.2-176.5-5.500109
51N34.2Very low45.6Very low148 Ų148140.3 Ų140.379%0.79174%0.737SS**  trans-141.964.1151.4-104.9-4.7000107.8
52E43Very low44.2Very low178 Ų178143.8 Ų143.883%0.83274%0.736SS**SBendtrans-111.7114.4140.8-71.5-156.2162.500107.1
53K39.8Very low43Very low185 Ų185148.2 Ų148.280%0.80476%0.759SS**SBendtrans70.688.1166.9-55.8174.9-178.3175.10116.8
54N33.6Very low42.4Very low152 Ų152151.5 Ų151.581%0.81377%0.765SS**  -174.9119.9118.5-93.6-17.3000111.5S56N54-S56 PolarHBondContact O-N 2.87Å
55E41Very low42.8Very low202 Ų202153 Ų15394%0.94478%0.777SS**  trans-64.6113.2164.7-69.5-173.2138.900109.7
56S36.3Very low44Very low103 Ų103155.9 Ų155.972%0.7279%0.787SS**  trans-153.4130.3145.859.50000110.1N54 L58N54-S56 PolarHBondContact O-N 2.87Å; S56-L58 PolarHBondContact O-N 3.33Å
57R41.5Very low46Very low257 Ų257156.3 Ų156.397%0.9778%0.782SS**  trans-66.8107-172-65.4170.7173.6173.8-3.2110.4
58L35.4Very low48.4Very low155 Ų155155.2 Ų155.281%0.81277%0.769SS**  trans-124.9136.1160.7-74165.5000109.2S56S56-L58 PolarHBondContact O-N 3.33Å
59S34.4Very low50.7Low113 Ų113151.3 Ų151.379%0.7975%0.747SS**  trans-50.9128.3-168.448.60000114.4N61S59-N61 PolarHBondContact O-N 3.15Å
60R37.4Very low53.4Low254 Ų254145.9 Ų145.996%0.95872%0.719SS**SBendtrans-70.319.5-174.4-104.3-179.2174.8-172.9-2.2116.9
61N38Very low56.1Low148 Ų148142.1 Ų142.179%0.79171%0.712SS**SBendtrans-116.112.3-163.4-85.28000118.4S59S59-N61 PolarHBondContact O-N 3.15Å
62D39.2Very low58.9Low157 Ų157142 Ų14284%0.8470%0.704SS**  trans-154.944.3-178.3-115.3-15.8000117.1
63I48.6Very low61.4Low155 Ų155133.6 Ų133.680%0.79567%0.665SS**  trans-120.169.5167.9-47.3176.3000109S65I63-S65 PolarHBondContact O-N 3.41Å; I63-S65 VanDerWaalsContact O-N 3.15Å
64Q51.6Low64.1Low191 Ų191125.4 Ų125.489%0.89363%0.63SS**  trans-67.6107.6159.9-150.6172.73100106E66Q64-E66 PolarHBondContact O-N 2.93Å; Q64-E66 VanDerWaalsContact O-N 3.07Å
65S69.7Low67.1Low95 Ų95124 Ų12466%0.66462%0.619SS**PPolyproline II helixtrans-53.5119.8178.2500000109.2I63 K67I63-S65 PolarHBondContact O-N 3.41Å; I63-S65 VanDerWaalsContact O-N 3.15Å; S65-K67 PolarHBondContact O-N 3.26Å
66E84.5Confident69.8Low93 Ų93118 Ų11844%0.43559%0.593SS.*PPolyproline II helixtrans-58.4127.2-175.9-180165.9-151.300109.8I21 Q64 K72 H73I21-E66 HydrophobicContact CD1-CB 4.48Å; I21-E66 HydrophobicContact CD1-CG 4.21Å; Q64-E66 PolarHBondContact O-N 2.93Å; Q64-E66 VanDerWaalsContact O-N 3.07Å; E66-K72 IonicContact OE1-NZ 3.75Å; E66-H73 IonicContact OE1-CE1 3.87Å; E66-H73 IonicContact OE1-NE2 3.74Å; E66-H73 PolarHBondContact OE1-NE2 2.79Å; E66-H73 IonicContact OE2-NE2 2.84Å
67K91.1Very high72.6Confident185 Ų185114.8 Ų114.880%0.80457%0.571SS**PPolyproline II helixtrans-83.5124.3178.7-174.6177.1178.4179.80110.1S65 S69 H73S65-K67 PolarHBondContact O-N 3.26Å; K67-S69 PolarHBondContact O-N 2.94Å; K67-H73 PolarHBondContact O-CE1 2.6Å; K67-H73 VanDerWaalsContact O-CE1 3.3Å
68W94.1Very high75.3Confident35 Ų35106 Ų10613%0.13355%0.547CS..PPolyproline II helixtrans-56.7136.4174.8-166.895.7000111.6C17 I21 C31 C32 I70 H73 T74 T242C17-W68 PolarHBondContact SG-NE1 3.43Å; I21-W68 HydrophobicContact CB-CB 4.24Å; I21-W68 HydrophobicContact CD1-CB 3.93Å; I21-W68 HydrophobicContact CD1-CG 4.42Å; I21-W68 HydrophobicContact CG2-CB 4.48Å; C31-W68 HydrophobicContact CB-CB 3.36Å; C31-W68 HydrophobicContact CB-CD2 4.28Å; C31-W68 HydrophobicContact CB-CG 3.59Å; C32-W68 HydrophobicContact CB-CZ2 3.78Å; W68-I70 HydrophobicContact CH2-CB 4.44Å; W68-I70 HydrophobicContact CH2-CG1 3.79Å; W68-I70 HydrophobicContact CZ3-CG1 3.69Å; W68-H73 AromaticContact CD1-CG 3.84Å; W68-H73 HydrophobicContact CD2-CB 4.46Å; W68-H73 HydrophobicContact CG-CB 4.33Å; W68-T74 HydrophobicContact CH2-CG2 4.06Å; W68-T74 HydrophobicContact CZ2-CG2 3.75Å; W68-T242 HydrophobicContact CH2-CG2 3.53Å; W68-T242 HydrophobicContact CZ2-CG2 4.4Å; W68-T242 HydrophobicContact CZ3-CG2 3.89Å
69S95.3Very high78.2Confident34 Ų3498.6 Ų98.624%0.23851%0.508CS..  trans-151145.4-179600000109.7K67 S71 K72 H73K67-S69 PolarHBondContact O-N 2.94Å; S69-S71 VanDerWaalsContact C-N 3.31Å; S69-S71 PolarHBondContact O-N 3.47Å; S69-K72 PolarHBondContact O-N 3.05Å; S69-K72 WeakPolarHBondContact OG-CB 3.34Å; S69-H73 PolarHBondContact N-CE1 2.93Å; S69-H73 PolarHBondContact N-ND1 2.84Å; S69-H73 WeakPolarHBondContact O-CB 3.49Å; S69-H73 PolarHBondContact O-N 2.85Å; S69-H73 VanDerWaalsContact O-N 3.08Å; S69-H73 PolarHBondContact O-ND1 2.96Å; S69-H73 PolarHBondContact OG-ND1 3.47Å
70I95.1Very high81.2Confident45 Ų4594.3 Ų94.323%0.23148%0.477CS..Hα-helixtrans-60.1-43.1-176.5-59.5160000110.6W68 K72 T74 F103 N240W68-I70 HydrophobicContact CH2-CB 4.44Å; W68-I70 HydrophobicContact CH2-CG1 3.79Å; W68-I70 HydrophobicContact CZ3-CG1 3.69Å; I70-K72 PolarHBondContact O-N 2.89Å; I70-T74 HydrophobicContact CG2-CG2 4.26Å; I70-T74 WeakPolarHBondContact O-CB 3.27Å; I70-T74 PolarHBondContact O-N 3.21Å; I70-T74 PolarHBondContact O-OG1 3.03Å; I70-F103 HydrophobicContact CD1-CZ 4.39Å; I70-F103 HydrophobicContact CG2-CD1 4.25Å; I70-F103 HydrophobicContact CG2-CE1 3.45Å; I70-F103 VanDerWaalsContact CG2-CE1 3.45Å; I70-F103 HydrophobicContact CG2-CZ 3.9Å; I70-N240 HydrophobicContact CD1-CB 3.96Å; I70-N240 HydrophobicContact CG1-CB 4.33Å; I70-N240 HydrophobicContact CG2-CB 4.28Å
71S94Very high84Confident99 Ų9982.2 Ų82.269%0.69243%0.431SS*.Hα-helixtrans-66.3-36.7-175.451.30000114.3S69S69-S71 VanDerWaalsContact C-N 3.31Å; S69-S71 PolarHBondContact O-N 3.47Å
72K94.3Very high86.9Confident145 Ų14575.4 Ų75.463%0.6339%0.394SS*.Hα-helixtrans-90.6-31.7-176.8-65.9-176.3172.5-168.90113.8E66 S69 I70E66-K72 IonicContact OE1-NZ 3.75Å; S69-K72 PolarHBondContact O-N 3.05Å; S69-K72 WeakPolarHBondContact OG-CB 3.34Å; I70-K72 PolarHBondContact O-N 2.89Å
73H95.2Very high89.7Confident3 Ų368 Ų681%0.01436%0.356CS..Hα-helixtrans-113.15.7-165.5-51.795.7000113.5C17 V18 H19 I21 E66 K67 W68 S69C17-H73 CarbonylContact C-O 3.6Å; C17-H73 WeakPolarHBondContact CA-O 3.45Å; V18-H73 PolarHBondContact N-O 3.07Å; H19-H73 HydrophobicContact CB-CB 4Å; H19-H73 AromaticContact CD2-CD2 3.45Å; H19-H73 PolarHBondContact CD2-CD2 2.92Å; H19-H73 VanDerWaalsContact CD2-CD2 3.45Å; H19-H73 AromaticContact CG-CD2 3.82Å; I21-H73 VanDerWaalsContact CD1-NE2 3.26Å; I21-H73 WeakPolarHBondContact CD1-NE2 3.34Å; E66-H73 IonicContact OE1-CE1 3.87Å; E66-H73 IonicContact OE1-NE2 3.74Å; E66-H73 PolarHBondContact OE1-NE2 2.79Å; E66-H73 IonicContact OE2-NE2 2.84Å; K67-H73 PolarHBondContact O-CE1 2.6Å; K67-H73 VanDerWaalsContact O-CE1 3.3Å; W68-H73 AromaticContact CD1-CG 3.84Å; W68-H73 HydrophobicContact CD2-CB 4.46Å; W68-H73 HydrophobicContact CG-CB 4.33Å; S69-H73 PolarHBondContact N-CE1 2.93Å; S69-H73 PolarHBondContact N-ND1 2.84Å; S69-H73 WeakPolarHBondContact O-CB 3.49Å; S69-H73 PolarHBondContact O-N 2.85Å; S69-H73 VanDerWaalsContact O-N 3.08Å; S69-H73 PolarHBondContact O-ND1 2.96Å; S69-H73 PolarHBondContact OG-ND1 3.47Å
74T96.3Very high92Very high12 Ų1262.1 Ų62.17%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-120.3149.7172.173.20000111R15 E16 W68 I70R15-T74 PolarHBondContact NH1-OG1 2.95Å; R15-T74 VanDerWaalsContact NH1-OG1 3.13Å; E16-T74 CarbonylContact O-C 3.15Å; E16-T74 WeakPolarHBondContact O-CA 3.28Å; E16-T74 WeakPolarHBondContact O-CB 3.35Å; W68-T74 HydrophobicContact CH2-CG2 4.06Å; W68-T74 HydrophobicContact CZ2-CG2 3.75Å; I70-T74 HydrophobicContact CG2-CG2 4.26Å; I70-T74 WeakPolarHBondContact O-CB 3.27Å; I70-T74 PolarHBondContact O-N 3.21Å; I70-T74 PolarHBondContact O-OG1 3.03Å
75Q96.3Very high94.2Very high123 Ų12353 Ų5358%0.57528%0.284SS*.EExtended strand (participates in β ladder)trans-114.9141.3175.5-171.217424.400110.1R15 E16 V18R15-Q75 WeakPolarHBondContact CA-O 3.38Å; E16-Q75 PolarHBondContact N-O 3.26Å; E16-Q75 PolarHBondContact O-N 3.4Å; V18-Q75 HydrophobicContact CB-CB 4.4Å; V18-Q75 HydrophobicContact CG1-CB 3.51Å; V18-Q75 HydrophobicContact CG2-CB 4.02Å
76L96.9Very high95.4Very high75 Ų7551.3 Ų51.339%0.39327%0.266SS..EExtended strand (participates in β ladder)trans-84.5140171.3-74.7166.3000110.3Y13 K14 R15Y13-L76 HydrophobicContact CD1-CB 4.36Å; K14-L76 WeakPolarHBondContact O-CA 3.47Å; R15-L76 HydrophobicContact CG-CD2 3.48Å; R15-L76 VanDerWaalsContact CG-CD2 3.48Å; R15-L76 HydrophobicContact CG-CG 4.21Å
77S96.1Very high95.9Very high36 Ų3647.2 Ų47.225%0.25225%0.246SC..EExtended strand (participates in β ladder)trans-145.8158168.355.90000109.6Y13 K14 T79Y13-S77 CarbonylContact C-O 3.57Å; Y13-S77 WeakPolarHBondContact CA-O 3.45Å; Y13-S77 WeakPolarHBondContact CB-O 3.45Å; K14-S77 WeakPolarHBondContact CE-OG 3.49Å; K14-S77 PolarHBondContact N-O 3.49Å; K14-S77 PolarHBondContact O-N 2.95Å; K14-S77 VanDerWaalsContact O-N 3.16Å; S77-T79 PolarHBondContact O-N 3.27Å
78P97.2Very high95.8Very high73 Ų7342.9 Ų42.947%0.47423%0.229SC..EExtended strand (participates in β ladder)trans-52.6141.2177.7-28.236.5000111.9
79T97.3Very high94.9Very high0 Ų044.6 Ų44.60%026%0.257CS..  trans-63.4141.3179.9-167.20000111.4I8 F12 S77 F82 R100I8-T79 HydrophobicContact CG2-CG2 4.12Å; F12-T79 HydrophobicContact CB-CG2 3.84Å; F12-T79 PolarHBondContact O-N 2.9Å; S77-T79 PolarHBondContact O-N 3.27Å; T79-F82 HydrophobicContact CG2-CD1 3.96Å; T79-F82 HydrophobicContact CG2-CE1 4.39Å; T79-R100 WeakPolarHBondContact CB-O 3.35Å; T79-R100 PolarHBondContact OG1-O 3.04Å
80D96.5Very high93.5Very high23 Ų2345.3 Ų45.312%0.12327%0.27CS..  trans-122.28.5178.959.7-3.7000112.4K14 R100 I207 G208K14-D80 WeakPolarHBondContact CD-OD1 3.34Å; K14-D80 WeakPolarHBondContact CE-OD1 3.46Å; K14-D80 VanDerWaalsContact CE-OD2 3.26Å; K14-D80 WeakPolarHBondContact CE-OD2 3.43Å; K14-D80 IonicContact NZ-OD1 2.85Å; K14-D80 IonicContact NZ-OD2 2.77Å; K14-D80 PolarHBondContact NZ-OD2 2.94Å; D80-R100 IonicContact OD1-NH1 3.85Å; D80-I207 HydrophobicContact CB-CG2 4.47Å; D80-G208 CarbonylContact C-O 3.58Å; D80-G208 CarbonylContact O-C 3.59Å; D80-G208 WeakPolarHBondContact O-CA 3.13Å; D80-G208 PolarHBondContact O-N 2.98Å
81A97.8Very high92Very high0 Ų047 Ų470%030%0.299CS..EExtended strand (participates in β ladder)trans-132.690.9-176.700000110.2Y98 R100 W197 L206 G208A81-Y98 HydrophobicContact CB-CE2 4.39Å; A81-R100 HydrophobicContact CB-CB 3.78Å; A81-R100 WeakPolarHBondContact O-CB 3.39Å; A81-R100 PolarHBondContact O-N 3.35Å; A81-W197 HydrophobicContact CB-CH2 3.89Å; A81-W197 HydrophobicContact CB-CZ3 4.18Å; A81-L206 WeakPolarHBondContact CB-O 3.36Å; A81-G208 WeakPolarHBondContact CA-O 3.15Å
82F98.3Very high90.6Very high4 Ų449.4 Ų49.42%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-157.3151.5174.866.4-84.7000111.2I8 E9 T79 Y98 V99 G208 R209 D210I8-F82 HydrophobicContact CB-CD2 4.25Å; I8-F82 HydrophobicContact CB-CE2 4.13Å; I8-F82 HydrophobicContact CB-CZ 4.45Å; I8-F82 HydrophobicContact CD1-CD2 3.95Å; I8-F82 HydrophobicContact CD1-CE2 4.27Å; I8-F82 HydrophobicContact CG2-CB 4.13Å; I8-F82 HydrophobicContact CG2-CD1 3.82Å; I8-F82 HydrophobicContact CG2-CD2 3.64Å; I8-F82 HydrophobicContact CG2-CE1 4.08Å; I8-F82 HydrophobicContact CG2-CE2 3.89Å; I8-F82 HydrophobicContact CG2-CG 3.59Å; I8-F82 HydrophobicContact CG2-CZ 4.12Å; E9-F82 HydrophobicContact CG-CE1 3.65Å; E9-F82 HydrophobicContact CG-CZ 3.58Å; T79-F82 HydrophobicContact CG2-CD1 3.96Å; T79-F82 HydrophobicContact CG2-CE1 4.39Å; F82-Y98 VanDerWaalsContact CA-O 3.32Å; F82-Y98 WeakPolarHBondContact CA-O 3.44Å; F82-V99 HydrophobicContact CB-CB 4.24Å; F82-V99 HydrophobicContact CB-CG2 4.02Å; F82-G208 PolarHBondContact N-O 3.23Å; F82-R209 HydrophobicContact CE1-CB 3.79Å; F82-R209 HydrophobicContact CE1-CG 3.85Å; F82-R209 HydrophobicContact CZ-CB 3.85Å; F82-R209 HydrophobicContact CZ-CG 4.38Å; F82-D210 HydrophobicContact CD2-CB 4.37Å; F82-D210 HydrophobicContact CE2-CB 3.75Å; F82-D210 HydrophobicContact CZ-CB 4.42Å; F82-D210 WeakPolarHBondContact O-CA 3.27Å; F82-D210 PolarHBondContact O-N 2.92Å
83G97.3Very high89.7Confident3 Ų346.7 Ų46.73%0.03130%0.298CS..EExtended strand (participates in β ladder)trans147.6-133.7-178.500000111.3M97 Y98G83-M97 WeakPolarHBondContact O-CA 3.48Å; G83-Y98 VanDerWaalsContact C-CD1 3.45Å; G83-Y98 VanDerWaalsContact C-CE1 3.45Å; G83-Y98 PolarHBondContact N-O 3.45Å; G83-Y98 VanDerWaalsContact O-CD1 3.29Å; G83-Y98 WeakPolarHBondContact O-CD1 3.27Å; G83-Y98 PolarHBondContact O-N 3.5Å
84T98Very high89.3Confident31 Ų3149 Ų4919%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-121.4129179.4-53.60000110.9K95 A96 M97 V211 V212 R213T84-K95 HydrophobicContact CG2-CB 3.95Å; T84-K95 HydrophobicContact CG2-CD 4.29Å; T84-K95 HydrophobicContact CG2-CG 4.36Å; T84-A96 CarbonylContact C-O 3.49Å; T84-A96 WeakPolarHBondContact CA-O 2.99Å; T84-M97 PolarHBondContact OG1-SD 3.27Å; T84-M97 VanDerWaalsContact OG1-SD 3.35Å; T84-V211 PolarHBondContact N-O 2.99Å; T84-V212 CarbonylContact O-C 3.58Å; T84-V212 VanDerWaalsContact O-CA 3.24Å; T84-V212 WeakPolarHBondContact O-CA 3.49Å; T84-R213 PolarHBondContact O-N 3.33Å
85I97.3Very high89.3Confident0 Ų054 Ų540%033%0.331CS..EExtended strand (participates in β ladder)trans-83.2131.2167.3-52.8-172.1000108.2F87 K95 A96 Y98 L206 R213 Y215 L228 F235I85-F87 HydrophobicContact CB-CE2 4.47Å; I85-F87 HydrophobicContact CG2-CD1 4.22Å; I85-F87 HydrophobicContact CG2-CD2 4.31Å; I85-F87 HydrophobicContact CG2-CE1 4.04Å; I85-F87 HydrophobicContact CG2-CE2 4.1Å; I85-F87 HydrophobicContact CG2-CG 4.37Å; I85-F87 HydrophobicContact CG2-CZ 3.96Å; I85-K95 VanDerWaalsContact O-CA 3.24Å; I85-K95 WeakPolarHBondContact O-CA 3.32Å; I85-A96 PolarHBondContact N-O 2.95Å; I85-A96 PolarHBondContact O-N 2.93Å; I85-Y98 HydrophobicContact CB-CD1 4.46Å; I85-Y98 HydrophobicContact CD1-CD1 4.06Å; I85-Y98 HydrophobicContact CD1-CD2 4.47Å; I85-Y98 HydrophobicContact CD1-CG 3.89Å; I85-Y98 HydrophobicContact CG1-CD1 3.29Å; I85-Y98 HydrophobicContact CG1-CD2 4.47Å; I85-Y98 HydrophobicContact CG1-CE1 3.79Å; I85-Y98 HydrophobicContact CG1-CG 3.67Å; I85-L206 HydrophobicContact CD1-CD1 4.17Å; I85-L206 HydrophobicContact CD1-CD2 3.98Å; I85-L206 HydrophobicContact CG1-CD2 4Å; I85-L206 HydrophobicContact CG2-CD2 4.42Å; I85-R213 WeakPolarHBondContact CA-O 3.34Å; I85-Y215 HydrophobicContact CG2-CD1 4.45Å; I85-Y215 HydrophobicContact CG2-CG 4.11Å; I85-L228 HydrophobicContact CD1-CD1 3.61Å; I85-F235 HydrophobicContact CD1-CD2 4.15Å
86E95.9Very high89.3Confident58 Ų5848.2 Ų48.227%0.27131%0.305SS..EExtended strand (participates in β ladder)trans-109.6108.4166.7-174.4169.8-114.700109.1K95 V212 R213 P214 Y215E86-K95 HydrophobicContact CG-CG 4.47Å; E86-K95 WeakPolarHBondContact OE1-CE 3.5Å; E86-K95 IonicContact OE1-NZ 2.71Å; E86-K95 PolarHBondContact OE1-NZ 2.85Å; E86-V212 HydrophobicContact CB-CG1 3.88Å; E86-R213 PolarHBondContact N-O 3.15Å; E86-P214 CarbonylContact O-C 3.44Å; E86-P214 WeakPolarHBondContact O-CA 3.21Å; E86-Y215 PolarHBondContact O-N 3.42Å
87F94.3Very high89.3Confident7 Ų747.5 Ų47.53%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-73132.4-175.4-72.2-76.6000111.7I85 N94 A96 Y215 T217 L228 F235I85-F87 HydrophobicContact CB-CE2 4.47Å; I85-F87 HydrophobicContact CG2-CD1 4.22Å; I85-F87 HydrophobicContact CG2-CD2 4.31Å; I85-F87 HydrophobicContact CG2-CE1 4.04Å; I85-F87 HydrophobicContact CG2-CE2 4.1Å; I85-F87 HydrophobicContact CG2-CG 4.37Å; I85-F87 HydrophobicContact CG2-CZ 3.96Å; F87-N94 HydrophobicContact CD2-CB 4.18Å; F87-N94 WeakPolarHBondContact CD2-O 3.45Å; F87-N94 PolarHBondContact N-O 3.39Å; F87-A96 HydrophobicContact CE2-CB 3.88Å; F87-Y215 WeakPolarHBondContact CA-O 3.41Å; F87-Y215 AromaticContact CD1-CD1 3.81Å; F87-Y215 HydrophobicContact CD1-CD1 3.81Å; F87-Y215 AromaticContact CE1-CD1 3.62Å; F87-Y215 HydrophobicContact CE1-CD1 3.62Å; F87-Y215 HydrophobicContact CE1-CE1 4.19Å; F87-T217 HydrophobicContact CD1-CG2 3.55Å; F87-T217 HydrophobicContact CE1-CG2 4.11Å; F87-L228 HydrophobicContact CE1-CB 4.11Å; F87-L228 HydrophobicContact CZ-CB 4.32Å; F87-F235 HydrophobicContact CE2-CE2 4.09Å; F87-F235 AromaticContact CZ-CE2 3.65Å; F87-F235 HydrophobicContact CZ-CE2 3.65Å; F87-F235 AromaticContact CZ-CZ 4Å; F87-F235 HydrophobicContact CZ-CZ 4Å
88Q89.7Confident89.5Confident95 Ų9545.8 Ų45.844%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-114.2153.8178.7-62.4-171.6-20.300111.8P214 Y215 T217Q88-P214 HydrophobicContact CG-CB 4.22Å; Q88-Y215 PolarHBondContact N-O 3.39Å; Q88-T217 PolarHBondContact O-N 3.18Å
89G73.6Confident89.5Confident70 Ų7042.4 Ų42.472%0.72227%0.266SS*.SBendtrans88.93176.100000115.3
90G65.7Low89.6Confident50 Ų5042.6 Ų42.652%0.51527%0.267SS..SBendtrans-105.2161.7167.800000111.9H92G90-H92 PolarHBondContact O-N 3.05Å
91G63.9Low89.7Confident81 Ų8141.5 Ų41.584%0.83526%0.261SS*.SBendtrans-65.80.4174.900000115.2
92H65.4Low89.7Confident148 Ų14841.6 Ų41.669%0.68526%0.261SS*.SBendtrans-142.5138.2178.5-60.382.7000109.9G90 N94G90-H92 PolarHBondContact O-N 3.05Å; H92-N94 PolarHBondContact O-N 2.93Å; H92-N94 VanDerWaalsContact O-N 3.17Å
93S73.9Confident89.7Confident88 Ų8843.4 Ų43.462%0.61527%0.269SS*.  trans-84.377.8174.947.90000111.2
94N88.6Confident89.7Confident51 Ų5146.4 Ų46.427%0.27329%0.285SS..  trans-70142.4173.9-70.7-18.8000110.5F87 H92 S230 M231F87-N94 HydrophobicContact CD2-CB 4.18Å; F87-N94 WeakPolarHBondContact CD2-O 3.45Å; F87-N94 PolarHBondContact N-O 3.39Å; H92-N94 PolarHBondContact O-N 2.93Å; H92-N94 VanDerWaalsContact O-N 3.17Å; N94-S230 VanDerWaalsContact CB-O 3.28Å; N94-S230 WeakPolarHBondContact CB-O 3.49Å; N94-S230 PolarHBondContact ND2-O 3.06Å; N94-M231 PolarHBondContact ND2-SD 3.11Å; N94-M231 VanDerWaalsContact ND2-SD 3.36Å
95K94.4Very high89.8Confident118 Ų11845.5 Ų45.551%0.51328%0.279SS..EExtended strand (participates in β ladder)trans-116.2142.2175.1-65.7-172.4-178.5-161.60110.6T84 I85 E86T84-K95 HydrophobicContact CG2-CB 3.95Å; T84-K95 HydrophobicContact CG2-CD 4.29Å; T84-K95 HydrophobicContact CG2-CG 4.36Å; I85-K95 VanDerWaalsContact O-CA 3.24Å; I85-K95 WeakPolarHBondContact O-CA 3.32Å; E86-K95 HydrophobicContact CG-CG 4.47Å; E86-K95 WeakPolarHBondContact OE1-CE 3.5Å; E86-K95 IonicContact OE1-NZ 2.71Å; E86-K95 PolarHBondContact OE1-NZ 2.85Å
96A96.8Very high89.8Confident2 Ų252.2 Ų52.22%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-136.1139.4174.700000111.3T84 I85 F87 H232 S233 F235T84-A96 CarbonylContact C-O 3.49Å; T84-A96 WeakPolarHBondContact CA-O 2.99Å; I85-A96 PolarHBondContact N-O 2.95Å; I85-A96 PolarHBondContact O-N 2.93Å; F87-A96 HydrophobicContact CE2-CB 3.88Å; A96-H232 WeakPolarHBondContact CB-O 3.49Å; A96-S233 WeakPolarHBondContact CA-O 3.48Å; A96-S233 WeakPolarHBondContact CB-O 3.34Å; A96-F235 HydrophobicContact CB-CD2 3.79Å; A96-F235 HydrophobicContact CB-CE2 3.71Å
97M98.1Very high89.9Confident59 Ų5950.7 Ų50.729%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-76.4144.6169.7-66.5-68.8-72.800109.6G83 T84 W118 S233 H234 F235G83-M97 WeakPolarHBondContact O-CA 3.48Å; T84-M97 PolarHBondContact OG1-SD 3.27Å; T84-M97 VanDerWaalsContact OG1-SD 3.35Å; M97-W118 HydrophobicContact CB-CD2 4.3Å; M97-W118 HydrophobicContact CB-CG 4.36Å; M97-W118 HydrophobicContact CB-CZ2 4.31Å; M97-S233 PolarHBondContact N-O 3.49Å; M97-S233 VanDerWaalsContact N-O 3.11Å; M97-H234 CarbonylContact O-C 3.49Å; M97-H234 WeakPolarHBondContact O-CA 3.39Å; M97-F235 PolarHBondContact O-N 3.4Å
98Y98.7Very high90.1Very high1 Ų154 Ų540%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-145156.917978.2-73.1000113.2A81 F82 G83 I85 L206 F235 L237A81-Y98 HydrophobicContact CB-CE2 4.39Å; F82-Y98 VanDerWaalsContact CA-O 3.32Å; F82-Y98 WeakPolarHBondContact CA-O 3.44Å; G83-Y98 VanDerWaalsContact C-CD1 3.45Å; G83-Y98 VanDerWaalsContact C-CE1 3.45Å; G83-Y98 PolarHBondContact N-O 3.45Å; G83-Y98 VanDerWaalsContact O-CD1 3.29Å; G83-Y98 WeakPolarHBondContact O-CD1 3.27Å; G83-Y98 PolarHBondContact O-N 3.5Å; I85-Y98 HydrophobicContact CB-CD1 4.46Å; I85-Y98 HydrophobicContact CD1-CD1 4.06Å; I85-Y98 HydrophobicContact CD1-CD2 4.47Å; I85-Y98 HydrophobicContact CD1-CG 3.89Å; I85-Y98 HydrophobicContact CG1-CD1 3.29Å; I85-Y98 HydrophobicContact CG1-CD2 4.47Å; I85-Y98 HydrophobicContact CG1-CE1 3.79Å; I85-Y98 HydrophobicContact CG1-CG 3.67Å; Y98-L206 HydrophobicContact CE2-CB 3.89Å; Y98-L206 WeakPolarHBondContact CE2-O 3.23Å; Y98-L206 PolarHBondContact OH-O 2.98Å; Y98-F235 VanDerWaalsContact CA-O 3.3Å; Y98-F235 WeakPolarHBondContact CA-O 3.39Å; Y98-L237 HydrophobicContact CD2-CD1 4.19Å
99V98.8Very high90.5Very high1 Ų151.7 Ų51.71%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-145.4138.6170.564.60000110.2I8 F12 F82 V101 L113 W118 F235 I236 L237I8-V99 HydrophobicContact CG2-CG2 4.31Å; F12-V99 HydrophobicContact CD2-CG2 4.3Å; F82-V99 HydrophobicContact CB-CB 4.24Å; F82-V99 HydrophobicContact CB-CG2 4.02Å; V99-V101 HydrophobicContact CB-CG1 4.29Å; V99-V101 HydrophobicContact CG1-CG1 3.76Å; V99-V101 HydrophobicContact CG2-CG1 3.63Å; V99-L113 HydrophobicContact CB-CD2 4.21Å; V99-L113 HydrophobicContact CG1-CD2 3.44Å; V99-L113 VanDerWaalsContact CG1-CD2 3.44Å; V99-W118 HydrophobicContact CB-CZ2 4.45Å; V99-W118 HydrophobicContact CG1-CH2 4.26Å; V99-W118 HydrophobicContact CG1-CZ2 4.04Å; V99-F235 PolarHBondContact N-O 3.14Å; V99-F235 VanDerWaalsContact N-O 3.1Å; V99-I236 HydrophobicContact CG1-CG1 4.43Å; V99-L237 PolarHBondContact O-N 3.1Å
100R98.6Very high91.7Very high4 Ų448.4 Ų48.42%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-89.8126.3164.1-179.6-175.7176179.3-0.1109.2K14 R15 T79 D80 A81 W197 L237 D239K14-R100 HydrophobicContact CB-CG 4.37Å; R15-R100 PolarHBondContact O-NH2 3.45Å; T79-R100 WeakPolarHBondContact CB-O 3.35Å; T79-R100 PolarHBondContact OG1-O 3.04Å; D80-R100 IonicContact OD1-NH1 3.85Å; A81-R100 HydrophobicContact CB-CB 3.78Å; A81-R100 WeakPolarHBondContact O-CB 3.39Å; A81-R100 PolarHBondContact O-N 3.35Å; R100-W197 HydrophobicContact CB-CE3 4.08Å; R100-W197 HydrophobicContact CB-CZ3 4.25Å; R100-W197 HydrophobicContact CG-CD2 3.93Å; R100-W197 HydrophobicContact CG-CE3 3.91Å; R100-W197 HydrophobicContact CG-CG 4.22Å; R100-W197 HydrophobicContact CG-CZ3 4.42Å; R100-W197 VanDerWaalsContact CZ-NE1 3.33Å; R100-L237 WeakPolarHBondContact CA-O 3.49Å; R100-D239 HydrophobicContact CG-CB 4.23Å; R100-D239 IonicContact CZ-OD2 2.7Å; R100-D239 IonicContact NE-OD2 3.86Å; R100-D239 PolarHBondContact NE-OD2 3.29Å; R100-D239 IonicContact NH2-OD2 3.58Å; R100-D239 PolarHBondContact NH2-OD2 3.4Å
101V98.8Very high93.3Very high0 Ų046.5 Ų46.50%026%0.256CS..EExtended strand (participates in β ladder)trans-136.5151.2-176.5-580000110.9F12 Y13 V99 L110 I236 L237 A238 D239 L252F12-V101 HydrophobicContact CB-CG1 4.12Å; F12-V101 HydrophobicContact CD1-CB 4.17Å; F12-V101 HydrophobicContact CD1-CG1 3.48Å; F12-V101 VanDerWaalsContact CD1-CG1 3.48Å; F12-V101 HydrophobicContact CE1-CG1 4.01Å; F12-V101 HydrophobicContact CG-CG1 3.82Å; Y13-V101 CarbonylContact O-C 3.59Å; Y13-V101 WeakPolarHBondContact O-CA 3.36Å; V99-V101 HydrophobicContact CB-CG1 4.29Å; V99-V101 HydrophobicContact CG1-CG1 3.76Å; V99-V101 HydrophobicContact CG2-CG1 3.63Å; V101-L110 HydrophobicContact CG1-CD2 4.21Å; V101-L110 HydrophobicContact CG2-CD2 4.31Å; V101-I236 HydrophobicContact CG2-CG2 3.64Å; V101-L237 PolarHBondContact N-O 2.79Å; V101-A238 CarbonylContact O-C 3.57Å; V101-A238 WeakPolarHBondContact O-CA 3.2Å; V101-D239 WeakPolarHBondContact O-CB 3.42Å; V101-D239 PolarHBondContact O-N 3.11Å; V101-L252 HydrophobicContact CG2-CD2 3.88Å
102S98.5Very high94.9Very high2 Ų246 Ų461%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-62.9141.8172.9-176.80000110.2Y13 R15 D104 T105 D239Y13-S102 PolarHBondContact O-N 2.97Å; R15-S102 WeakPolarHBondContact CD-OG 3.34Å; R15-S102 PolarHBondContact NE-OG 2.82Å; S102-D104 WeakPolarHBondContact CB-OD1 3.49Å; S102-D104 PolarHBondContact O-N 3.37Å; S102-D104 PolarHBondContact OG-OD1 3.35Å; S102-T105 PolarHBondContact N-OG1 3.4Å; S102-T105 VanDerWaalsContact O-CB 3.23Å; S102-T105 WeakPolarHBondContact O-CB 3.44Å; S102-T105 PolarHBondContact O-N 3.2Å; S102-T105 PolarHBondContact O-OG1 2.93Å; S102-D239 CarbonylContact C-O 3.47Å; S102-D239 WeakPolarHBondContact CA-O 3.42Å
103F97.9Very high96.5Very high42 Ų4239 Ų3918%0.18420%0.199CC..THydrogen-bonded Turntrans-60.2-17.3-177.982.8-75.9000114.8I70 D239 N240 A248I70-F103 HydrophobicContact CD1-CZ 4.39Å; I70-F103 HydrophobicContact CG2-CD1 4.25Å; I70-F103 HydrophobicContact CG2-CE1 3.45Å; I70-F103 VanDerWaalsContact CG2-CE1 3.45Å; I70-F103 HydrophobicContact CG2-CZ 3.9Å; F103-D239 PolarHBondContact N-O 3.44Å; F103-N240 HydrophobicContact CB-CB 4.14Å; F103-N240 HydrophobicContact CD1-CB 3.79Å; F103-N240 HydrophobicContact CE1-CB 4.44Å; F103-N240 HydrophobicContact CG-CB 3.96Å; F103-A248 HydrophobicContact CB-CB 4.17Å; F103-A248 WeakPolarHBondContact CB-O 3.4Å
104D97.4Very high97.6Very high66 Ų6634.8 Ų34.835%0.35317%0.17SC..THydrogen-bonded Turntrans-107.614.3178.662.5-10.8000113.3R15 S102 K106R15-D104 IonicContact CZ-OD2 2.81Å; R15-D104 IonicContact NE-OD1 3.78Å; R15-D104 IonicContact NE-OD2 3.39Å; R15-D104 IonicContact NH2-OD1 3.85Å; R15-D104 IonicContact NH2-OD2 3.79Å; R15-D104 PolarHBondContact NH2-OD2 2.89Å; S102-D104 WeakPolarHBondContact CB-OD1 3.49Å; S102-D104 PolarHBondContact O-N 3.37Å; S102-D104 PolarHBondContact OG-OD1 3.35Å; D104-K106 PolarHBondContact O-N 3.4Å
105T98.5Very high98Very high12 Ų1234.1 Ų34.17%0.07417%0.168CC..  trans-55.5135.4172.7-63.60000110.6F12 S102 L110 L252F12-T105 HydrophobicContact CD1-CG2 3.57Å; F12-T105 HydrophobicContact CE1-CG2 3.49Å; F12-T105 VanDerWaalsContact CE1-CG2 3.49Å; S102-T105 PolarHBondContact N-OG1 3.4Å; S102-T105 VanDerWaalsContact O-CB 3.23Å; S102-T105 WeakPolarHBondContact O-CB 3.44Å; S102-T105 PolarHBondContact O-N 3.2Å; S102-T105 PolarHBondContact O-OG1 2.93Å; T105-L110 HydrophobicContact CG2-CD2 4.15Å; T105-L110 HydrophobicContact CG2-CG 4.07Å; T105-L252 VanDerWaalsContact O-CD1 3.3Å; T105-L252 WeakPolarHBondContact O-CD1 3.24Å
106K98.5Very high98.1Very high141 Ų14134.2 Ų34.261%0.61317%0.168SC*.  trans-68.2140.2-179.1-58.2-177.81781760111.3D104 D108 L109 L110D104-K106 PolarHBondContact O-N 3.4Å; K106-D108 VanDerWaalsContact C-N 3.31Å; K106-D108 WeakPolarHBondContact CB-OD1 3.26Å; K106-D108 PolarHBondContact O-N 3.31Å; K106-L109 PolarHBondContact O-N 2.92Å; K106-L110 PolarHBondContact O-N 3.34Å
107P98.3Very high98Very high26 Ų2635.9 Ų35.917%0.16918%0.175CC..Hα-helixtrans-71-21.8-173.129-37.1000114.3L110 L111 Q255 L256 H259P107-L110 PolarHBondContact O-N 2.98Å; P107-L111 PolarHBondContact O-N 3.04Å; P107-Q255 HydrophobicContact CB-CB 4.44Å; P107-Q255 HydrophobicContact CG-CB 4.31Å; P107-L256 HydrophobicContact CB-CD1 4.4Å; P107-H259 HydrophobicContact CB-CB 3.63Å; P107-H259 HydrophobicContact CG-CB 3.9Å
108D98.2Very high97.9Very high77 Ų7734 Ų3441%0.41217%0.165SC..Hα-helixtrans-65.3-38.6173.761.7-49000111.8K106 L111 H112 H259K106-D108 VanDerWaalsContact C-N 3.31Å; K106-D108 WeakPolarHBondContact CB-OD1 3.26Å; K106-D108 PolarHBondContact O-N 3.31Å; D108-L111 PolarHBondContact O-N 2.88Å; D108-H112 WeakPolarHBondContact O-CB 3.38Å; D108-H112 PolarHBondContact O-N 3Å; D108-H259 WeakPolarHBondContact CA-NE2 3.34Å
109L98.6Very high97.8Very high47 Ų4741.5 Ų41.525%0.24620%0.2CC..Hα-helixtrans-65.4-41.5173.5-62.6176.5000111.3W7 F12 K106 H112 L113W7-L109 HydrophobicContact CH2-CD2 4.44Å; W7-L109 HydrophobicContact CZ2-CD2 3.85Å; F12-L109 HydrophobicContact CE1-CB 3.88Å; F12-L109 HydrophobicContact CZ-CB 4.08Å; K106-L109 PolarHBondContact O-N 2.92Å; L109-H112 WeakPolarHBondContact O-CB 3.39Å; L109-H112 PolarHBondContact O-N 2.99Å; L109-L113 PolarHBondContact O-N 3.48Å
110L98.6Very high97.7Very high0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-65-43.1176.6-67.9177.9000111.7F12 V101 T105 K106 P107 H112 L113 M114 I236 L252 L256F12-L110 HydrophobicContact CE1-CD2 3.7Å; F12-L110 HydrophobicContact CE1-CG 4.38Å; F12-L110 HydrophobicContact CZ-CD2 4.15Å; V101-L110 HydrophobicContact CG1-CD2 4.21Å; V101-L110 HydrophobicContact CG2-CD2 4.31Å; T105-L110 HydrophobicContact CG2-CD2 4.15Å; T105-L110 HydrophobicContact CG2-CG 4.07Å; K106-L110 PolarHBondContact O-N 3.34Å; P107-L110 PolarHBondContact O-N 2.98Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.97Å; L110-L113 WeakPolarHBondContact O-CB 3.21Å; L110-L113 PolarHBondContact O-N 2.85Å; L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.41Å; L110-I236 HydrophobicContact CD2-CD1 4.34Å; L110-I236 HydrophobicContact CD2-CG2 4.11Å; L110-L252 HydrophobicContact CD1-CD1 3.73Å; L110-L252 HydrophobicContact CD1-CD2 4.17Å; L110-L252 HydrophobicContact CD1-CG 3.87Å; L110-L256 HydrophobicContact CB-CD1 3.84Å; L110-L256 HydrophobicContact CB-CD2 4.33Å; L110-L256 HydrophobicContact CD1-CD2 4.17Å
111L98.3Very high97.4Very high11 Ų1150.7 Ų50.76%0.05824%0.244CC..Hα-helixtrans-64.9-37.5175-179.263.5000111.9P107 D108 M114 T115 L122 W160 I260 Q263P107-L111 PolarHBondContact O-N 3.04Å; D108-L111 PolarHBondContact O-N 2.88Å; L111-M114 PolarHBondContact O-N 2.9Å; L111-T115 HydrophobicContact CD1-CG2 3.81Å; L111-T115 HydrophobicContact CG-CG2 4.37Å; L111-T115 WeakPolarHBondContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CG2 3.43Å; L111-T115 PolarHBondContact O-N 3.4Å; L111-T115 PolarHBondContact O-OG1 2.96Å; L111-L122 HydrophobicContact CD1-CD1 4.15Å; L111-W160 HydrophobicContact CD1-CH2 4.43Å; L111-I260 HydrophobicContact CD1-CG1 4.1Å; L111-Q263 HydrophobicContact CD2-CG 3.45Å; L111-Q263 VanDerWaalsContact CD2-CG 3.45Å
112H97.9Very high97.2Very high71 Ų7153.2 Ų53.233%0.32926%0.257SS..Hα-helixtrans-60.8-48.2173.3-174100.7000111.1W7 D108 L109 L110 M114 T115 K116W7-H112 AromaticContact CE2-CD2 3.81Å; W7-H112 HydrophobicContact CH2-CB 4.04Å; W7-H112 AromaticContact CH2-CD2 3.42Å; W7-H112 VanDerWaalsContact CH2-CD2 3.42Å; W7-H112 WeakPolarHBondContact CH2-CD2 3.42Å; W7-H112 AromaticContact CH2-CG 3.98Å; W7-H112 HydrophobicContact CZ2-CB 4.24Å; W7-H112 AromaticContact CZ2-CD2 3.42Å; W7-H112 VanDerWaalsContact CZ2-CD2 3.42Å; W7-H112 WeakPolarHBondContact CZ2-CD2 3.42Å; W7-H112 AromaticContact CZ2-CG 3.9Å; W7-H112 AromaticContact CZ3-CD2 3.79Å; D108-H112 WeakPolarHBondContact O-CB 3.38Å; D108-H112 PolarHBondContact O-N 3Å; L109-H112 WeakPolarHBondContact O-CB 3.39Å; L109-H112 PolarHBondContact O-N 2.99Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.97Å; H112-M114 VanDerWaalsContact C-N 3.31Å; H112-M114 PolarHBondContact O-N 3.34Å; H112-T115 PolarHBondContact O-N 3.47Å; H112-K116 WeakPolarHBondContact O-CA 3.19Å; H112-K116 WeakPolarHBondContact O-CB 3.47Å; H112-K116 PolarHBondContact O-N 3.47Å
113L98.2Very high97.1Very high0 Ų053.2 Ų53.20%026%0.257CS..Iπ-helixtrans-53-51.3174174.179.1000110.7W7 I8 F12 V99 L109 L110 T115 E117 W118W7-L113 HydrophobicContact CZ3-CB 4.23Å; W7-L113 HydrophobicContact CZ3-CD1 4.48Å; I8-L113 HydrophobicContact CD1-CD1 3.76Å; I8-L113 HydrophobicContact CG1-CD1 3.92Å; F12-L113 HydrophobicContact CE2-CB 4.03Å; F12-L113 HydrophobicContact CE2-CD1 4.04Å; F12-L113 HydrophobicContact CE2-CD2 4.2Å; F12-L113 HydrophobicContact CE2-CG 4.33Å; F12-L113 HydrophobicContact CZ-CB 3.88Å; F12-L113 HydrophobicContact CZ-CD2 4.18Å; F12-L113 HydrophobicContact CZ-CG 4.48Å; V99-L113 HydrophobicContact CB-CD2 4.21Å; V99-L113 HydrophobicContact CG1-CD2 3.44Å; V99-L113 VanDerWaalsContact CG1-CD2 3.44Å; L109-L113 PolarHBondContact O-N 3.48Å; L110-L113 WeakPolarHBondContact O-CB 3.21Å; L110-L113 PolarHBondContact O-N 2.85Å; L113-T115 PolarHBondContact O-N 2.9Å; L113-E117 HydrophobicContact CD1-CB 3.9Å; L113-E117 HydrophobicContact CD1-CG 4.21Å; L113-E117 CarbonylContact O-C 3.46Å; L113-E117 WeakPolarHBondContact O-CA 3.43Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.99Å; L113-W118 HydrophobicContact CD2-CD2 4.41Å; L113-W118 HydrophobicContact CD2-CH2 3.88Å; L113-W118 HydrophobicContact CD2-CZ2 3.64Å; L113-W118 HydrophobicContact CD2-CZ3 4.34Å; L113-W118 HydrophobicContact CG-CD2 4.13Å; L113-W118 HydrophobicContact CG-CZ2 4.17Å; L113-W118 PolarHBondContact O-N 3Å
114M98.1Very high96.9Very high0 Ų058 Ų580%028%0.278CS..Iπ-helixtrans-62.7-44.1-176.5-67171.284.700112.4L110 L111 H112 W118 Q119 L120 W160 F162 I192 I236 L256L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.41Å; L111-M114 PolarHBondContact O-N 2.9Å; H112-M114 VanDerWaalsContact C-N 3.31Å; H112-M114 PolarHBondContact O-N 3.34Å; M114-W118 HydrophobicContact CB-CE3 4.34Å; M114-W118 HydrophobicContact CG-CE3 3.8Å; M114-W118 HydrophobicContact CG-CZ3 3.9Å; M114-W118 CarbonylContact O-C 3.56Å; M114-W118 WeakPolarHBondContact O-CB 3.45Å; M114-Q119 PolarHBondContact O-N 2.83Å; M114-L120 HydrophobicContact CB-CD1 4.19Å; M114-L120 HydrophobicContact CE-CD1 4.38Å; M114-L120 WeakPolarHBondContact O-CB 3.41Å; M114-L120 WeakPolarHBondContact O-CG 3.49Å; M114-L120 PolarHBondContact O-N 3.47Å; M114-W160 HydrophobicContact CB-CH2 4.08Å; M114-W160 HydrophobicContact CE-CD2 4.39Å; M114-W160 HydrophobicContact CE-CE3 3.58Å; M114-W160 HydrophobicContact CE-CH2 3.83Å; M114-W160 HydrophobicContact CE-CZ3 3.27Å; M114-W160 HydrophobicContact SD-CH2 4.47Å; M114-W160 HydrophobicContact SD-CZ3 4.02Å; M114-F162 HydrophobicContact CE-CE1 4.03Å; M114-F162 HydrophobicContact CE-CZ 4.14Å; M114-I192 HydrophobicContact CE-CD1 3.3Å; M114-I192 HydrophobicContact CE-CG1 4.11Å; M114-I192 HydrophobicContact CE-CG2 4.47Å; M114-I236 HydrophobicContact SD-CD1 4.34Å; M114-L256 HydrophobicContact SD-CD2 4.19Å
115T96.6Very high96.8Very high37 Ų3756.3 Ų56.323%0.22727%0.269CS..Iπ-helixtrans-90.5-27.6-172.458.10000114.2L111 H112 L113 L120 W160L111-T115 HydrophobicContact CD1-CG2 3.81Å; L111-T115 HydrophobicContact CG-CG2 4.37Å; L111-T115 WeakPolarHBondContact O-CB 3.32Å; L111-T115 WeakPolarHBondContact O-CG2 3.43Å; L111-T115 PolarHBondContact O-N 3.4Å; L111-T115 PolarHBondContact O-OG1 2.96Å; H112-T115 PolarHBondContact O-N 3.47Å; L113-T115 PolarHBondContact O-N 2.9Å; T115-L120 WeakPolarHBondContact CA-O 3.21Å; T115-W160 HydrophobicContact CG2-CH2 4.36Å
116K96.3Very high96.8Very high120 Ų12055.7 Ų55.752%0.52227%0.265SS..Iπ-helixtrans-105.6-44.9-175.3-54.5-55.9-178.5-175.80112.6H112H112-K116 WeakPolarHBondContact O-CA 3.19Å; H112-K116 WeakPolarHBondContact O-CB 3.47Å; H112-K116 PolarHBondContact O-N 3.47Å
117E95.4Very high96.8Very high36 Ų3649.6 Ų49.617%0.16824%0.239CC..Iπ-helixtrans-87.1-44.2-177.9-57.4-56.7134.200111.8W7 I8 L113 Q119W7-E117 HydrophobicContact CE3-CG 3.83Å; W7-E117 HydrophobicContact CZ3-CG 3.99Å; I8-E117 HydrophobicContact CG1-CG 4.49Å; L113-E117 HydrophobicContact CD1-CB 3.9Å; L113-E117 HydrophobicContact CD1-CG 4.21Å; L113-E117 CarbonylContact O-C 3.46Å; L113-E117 WeakPolarHBondContact O-CA 3.43Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.99Å; E117-Q119 VanDerWaalsContact C-N 3.35Å
118W96.4Very high96.9Very high21 Ų2148.3 Ų48.38%0.0823%0.231CC..SBendtrans-87.1-5.2175.3-62.7-14000113.7M97 V99 L113 M114 L120 H234 I236M97-W118 HydrophobicContact CB-CD2 4.3Å; M97-W118 HydrophobicContact CB-CG 4.36Å; M97-W118 HydrophobicContact CB-CZ2 4.31Å; V99-W118 HydrophobicContact CB-CZ2 4.45Å; V99-W118 HydrophobicContact CG1-CH2 4.26Å; V99-W118 HydrophobicContact CG1-CZ2 4.04Å; L113-W118 HydrophobicContact CD2-CD2 4.41Å; L113-W118 HydrophobicContact CD2-CH2 3.88Å; L113-W118 HydrophobicContact CD2-CZ2 3.64Å; L113-W118 HydrophobicContact CD2-CZ3 4.34Å; L113-W118 HydrophobicContact CG-CD2 4.13Å; L113-W118 HydrophobicContact CG-CZ2 4.17Å; L113-W118 PolarHBondContact O-N 3Å; M114-W118 HydrophobicContact CB-CE3 4.34Å; M114-W118 HydrophobicContact CG-CE3 3.8Å; M114-W118 HydrophobicContact CG-CZ3 3.9Å; M114-W118 CarbonylContact O-C 3.56Å; M114-W118 WeakPolarHBondContact O-CB 3.45Å; W118-L120 HydrophobicContact CB-CD1 4.41Å; W118-L120 HydrophobicContact CB-CG 4.05Å; W118-L120 HydrophobicContact CE3-CD1 4.15Å; W118-L120 PolarHBondContact O-N 3.07Å; W118-H234 AromaticContact CD2-CD2 3.53Å; W118-H234 HydrophobicContact CE3-CB 4.21Å; W118-H234 AromaticContact CE3-CD2 3.3Å; W118-H234 AromaticContact CE3-CG 3.98Å; W118-H234 AromaticContact CG-CD2 3.97Å; W118-H234 HydrophobicContact CH2-CB 4.24Å; W118-H234 HydrophobicContact CZ3-CB 3.81Å; W118-H234 AromaticContact CZ3-CD2 3.8Å; W118-I236 HydrophobicContact CH2-CG1 3.91Å; W118-I236 HydrophobicContact CZ3-CG1 4.29Å
119Q96.1Very high96.9Very high157 Ų15744.8 Ų44.873%0.73421%0.212SC*.  trans55.733176.7-54.4178.414.900113.6M114 E117M114-Q119 PolarHBondContact O-N 2.83Å; E117-Q119 VanDerWaalsContact C-N 3.35Å
120L95.9Very high96.9Very high27 Ų2743.3 Ų43.314%0.14120%0.204CC..PPolyproline II helixtrans-77.8130.2175.2-56.2177.9000110.2M114 T115 W118 W160 I192M114-L120 HydrophobicContact CB-CD1 4.19Å; M114-L120 HydrophobicContact CE-CD1 4.38Å; M114-L120 WeakPolarHBondContact O-CB 3.41Å; M114-L120 WeakPolarHBondContact O-CG 3.49Å; M114-L120 PolarHBondContact O-N 3.47Å; T115-L120 WeakPolarHBondContact CA-O 3.21Å; W118-L120 HydrophobicContact CB-CD1 4.41Å; W118-L120 HydrophobicContact CB-CG 4.05Å; W118-L120 HydrophobicContact CE3-CD1 4.15Å; W118-L120 PolarHBondContact O-N 3.07Å; L120-W160 HydrophobicContact CB-CH2 4.32Å; L120-W160 HydrophobicContact CB-CZ2 3.51Å; L120-W160 HydrophobicContact CD1-CZ2 4.14Å; L120-W160 HydrophobicContact CG-CZ2 4.47Å; L120-I192 HydrophobicContact CD1-CD1 4.42Å
121E93.9Very high96.7Very high172 Ų17243.8 Ų43.880%0.80421%0.209SC*.PPolyproline II helixtrans-65.9136.9167-66.2-175.1176.300110W160E121-W160 WeakPolarHBondContact O-CZ2 3.1Å; E121-W160 PolarHBondContact O-NE1 2.52Å
122L94.3Very high96.4Very high53 Ų5343.3 Ų43.328%0.27721%0.206SC..PPolyproline II helixtrans-56.1130.9176.6-171.775.8000109.4L111 Q263 I265 V273L111-L122 HydrophobicContact CD1-CD1 4.15Å; L122-Q263 HydrophobicContact CD1-CB 3.83Å; L122-Q263 HydrophobicContact CD1-CG 4.02Å; L122-Q263 HydrophobicContact CD2-CB 3.58Å; L122-Q263 HydrophobicContact CG-CB 4.33Å; L122-I265 HydrophobicContact CD2-CG1 4.11Å; L122-V273 HydrophobicContact CD1-CG2 4.31Å; L122-V273 HydrophobicContact CD2-CG2 4.06Å; L122-V273 HydrophobicContact CG-CG2 4.06Å
123P94.9Very high96.1Very high2 Ų244.4 Ų44.41%0.01321%0.214CC..PPolyproline II helixtrans-74.7152-172.631-33.8000111L125 W160 I260 I265 V273P123-L125 VanDerWaalsContact C-N 3.3Å; P123-L125 WeakPolarHBondContact CB-O 3.43Å; P123-W160 HydrophobicContact CB-CB 4.01Å; P123-W160 HydrophobicContact CB-CD2 3.84Å; P123-W160 HydrophobicContact CB-CE3 4.48Å; P123-W160 HydrophobicContact CB-CG 3.57Å; P123-W160 HydrophobicContact CG-CB 4.15Å; P123-W160 HydrophobicContact CG-CD2 3.47Å; P123-W160 VanDerWaalsContact CG-CD2 3.47Å; P123-W160 HydrophobicContact CG-CE3 3.63Å; P123-W160 HydrophobicContact CG-CG 3.71Å; P123-W160 HydrophobicContact CG-CZ2 4.44Å; P123-W160 HydrophobicContact CG-CZ3 4.17Å; P123-I260 HydrophobicContact CG-CG2 4.32Å; P123-I265 WeakPolarHBondContact O-CD1 3.24Å; P123-V273 HydrophobicContact CG-CG1 4.07Å
124K94.1Very high95.8Very high142 Ų14251.4 Ų51.462%0.61725%0.247SC*.SBendtrans-82.2-12.5171.4-55.2-178-176.6169.20113.1T157 I265 P274K124-T157 WeakPolarHBondContact CB-O 3.38Å; K124-T157 WeakPolarHBondContact CD-O 3.17Å; K124-I265 HydrophobicContact CG-CG2 4.26Å; K124-P274 WeakPolarHBondContact O-CD 3.32Å; K124-P274 VanDerWaalsContact O-CG 3.24Å; K124-P274 WeakPolarHBondContact O-CG 3.39Å
125L96.5Very high95.7Very high30 Ų3056.4 Ų56.416%0.15727%0.273CS..  trans-155.4139.5178.5174.467.9000108.9P123 I127 T157 A159 W160 P274 V276P123-L125 VanDerWaalsContact C-N 3.3Å; P123-L125 WeakPolarHBondContact CB-O 3.43Å; L125-I127 HydrophobicContact CD2-CD1 4.11Å; L125-I127 HydrophobicContact CD2-CG1 3.89Å; L125-I127 HydrophobicContact CG-CG1 4.06Å; L125-T157 HydrophobicContact CD2-CG2 4.27Å; L125-A159 HydrophobicContact CB-CB 3.91Å; L125-A159 HydrophobicContact CD2-CB 4.21Å; L125-A159 HydrophobicContact CG-CB 4.16Å; L125-A159 CarbonylContact O-C 3.51Å; L125-A159 WeakPolarHBondContact O-CA 3.32Å; L125-A159 WeakPolarHBondContact O-CB 3.47Å; L125-W160 PolarHBondContact O-N 3.36Å; L125-P274 HydrophobicContact CB-CG 4.49Å; L125-P274 HydrophobicContact CD1-CB 4.14Å; L125-P274 HydrophobicContact CD1-CG 3.98Å; L125-P274 WeakPolarHBondContact CD1-O 3.48Å; L125-V276 HydrophobicContact CD1-CG2 4.1Å
126L98.4Very high95.7Very high0 Ų056.2 Ų56.20%027%0.27CS..EExtended strand (participates in β ladder)trans-110.1117.5170.3-179.161.2000109.8W160 F162 E257 I260 V273 P274 V275 V276L126-W160 HydrophobicContact CD1-CB 3.85Å; L126-F162 HydrophobicContact CD1-CB 4.5Å; L126-F162 HydrophobicContact CD1-CD1 3.61Å; L126-F162 HydrophobicContact CD1-CD2 4.19Å; L126-F162 HydrophobicContact CD1-CE1 3.72Å; L126-F162 HydrophobicContact CD1-CE2 4.32Å; L126-F162 HydrophobicContact CD1-CG 3.85Å; L126-F162 HydrophobicContact CD1-CZ 4.12Å; L126-F162 HydrophobicContact CD2-CD2 4.37Å; L126-F162 HydrophobicContact CD2-CE2 4.23Å; L126-E257 HydrophobicContact CD2-CB 4.17Å; L126-E257 HydrophobicContact CD2-CG 3.88Å; L126-I260 HydrophobicContact CD2-CB 4.34Å; L126-I260 HydrophobicContact CD2-CD1 4.18Å; L126-I260 HydrophobicContact CD2-CG2 4.16Å; L126-V273 HydrophobicContact CB-CG1 4.26Å; L126-P274 PolarHBondContact N-O 3.08Å; L126-V275 HydrophobicContact CB-CG1 4.39Å; L126-V275 HydrophobicContact CB-CG2 4.16Å; L126-V275 HydrophobicContact CD2-CG1 4.26Å; L126-V275 HydrophobicContact CD2-CG2 4.15Å; L126-V275 HydrophobicContact CG-CG1 4.35Å; L126-V275 WeakPolarHBondContact O-CA 3.28Å; L126-V276 PolarHBondContact O-N 2.92Å
127I98.8Very high95.7Very high12 Ų1256.8 Ų56.86%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-100.1112.4175.4-56173.6000108.1L125 V129 L150 A153 A159 W160 I161 F162 L278L125-I127 HydrophobicContact CD2-CD1 4.11Å; L125-I127 HydrophobicContact CD2-CG1 3.89Å; L125-I127 HydrophobicContact CG-CG1 4.06Å; I127-V129 HydrophobicContact CG2-CG2 4.21Å; I127-L150 HydrophobicContact CD1-CD1 4.28Å; I127-L150 HydrophobicContact CG2-CD1 3.96Å; I127-A153 HydrophobicContact CD1-CB 4.21Å; I127-A159 HydrophobicContact CD1-CB 3.98Å; I127-A159 HydrophobicContact CG1-CB 4.13Å; I127-W160 PolarHBondContact N-O 2.89Å; I127-I161 CarbonylContact O-C 3.58Å; I127-I161 WeakPolarHBondContact O-CA 3.47Å; I127-F162 PolarHBondContact O-N 2.83Å; I127-L278 HydrophobicContact CG2-CB 4.38Å
128S98.7Very high95.8Very high0 Ų055.7 Ų55.70%027%0.269CS..EExtended strand (participates in β ladder)trans-101.6106.9179.4-168.80000110.5H130 R253 E257 V276 A277 L278 Y293S128-H130 PolarHBondContact O-CD2 2.87Å; S128-H130 PolarHBondContact OG-NE2 3.06Å; S128-R253 PolarHBondContact OG-NE 2.98Å; S128-R253 PolarHBondContact OG-NH2 3.37Å; S128-E257 WeakPolarHBondContact CB-OE1 3.37Å; S128-E257 PolarHBondContact OG-OE1 3.08Å; S128-V276 PolarHBondContact N-O 3.5Å; S128-A277 CarbonylContact O-C 3.46Å; S128-A277 WeakPolarHBondContact O-CA 3.49Å; S128-L278 PolarHBondContact O-N 3.46Å; S128-Y293 PolarHBondContact OG-OH 2.74Å; S128-Y293 VanDerWaalsContact OG-OH 3.11Å
129V98.8Very high95.8Very high2 Ų261.4 Ų61.41%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-90.4128.1-176-173.20000110.8I127 I161 F162 T163 V170 V174 R253 L278I127-V129 HydrophobicContact CG2-CG2 4.21Å; V129-I161 HydrophobicContact CG2-CG2 3.93Å; V129-F162 PolarHBondContact N-O 3.11Å; V129-T163 HydrophobicContact CB-CG2 4.31Å; V129-T163 HydrophobicContact CG2-CG2 4.49Å; V129-V170 HydrophobicContact CG1-CG2 3.99Å; V129-V174 HydrophobicContact CG1-CG2 4.07Å; V129-R253 PolarHBondContact O-NH2 3.48Å; V129-L278 WeakPolarHBondContact CA-O 3.3Å; V129-L278 HydrophobicContact CG2-CB 4.46Å; V129-L278 HydrophobicContact CG2-CD2 4.34Å
130H98.2Very high95.8Very high17 Ų1759.2 Ų59.28%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-130.6158.9176.1-58.7-90.5000110.4S128 R253 L278 I279 V280 Y293S128-H130 PolarHBondContact O-CD2 2.87Å; S128-H130 PolarHBondContact OG-NE2 3.06Å; H130-R253 PolarHBondContact CE1-NH2 3.23Å; H130-R253 VanDerWaalsContact CE1-NH2 3.32Å; H130-R253 PolarHBondContact NE2-NH2 3.24Å; H130-L278 PolarHBondContact N-O 3.39Å; H130-I279 HydrophobicContact CB-CD1 3.82Å; H130-I279 WeakPolarHBondContact O-CA 3.47Å; H130-V280 PolarHBondContact O-N 3.03Å; H130-Y293 AromaticContact CD2-CE2 3.78Å; H130-Y293 PolarHBondContact CE1-OH 2.74Å; H130-Y293 AromaticContact NE2-CE2 3.32Å; H130-Y293 VanDerWaalsContact NE2-CE2 3.32Å; H130-Y293 WeakPolarHBondContact NE2-CE2 3.45Å; H130-Y293 AromaticContact NE2-CZ 3.43Å; H130-Y293 PolarHBondContact NE2-OH 3.36Å
131G95.6Very high95.9Very high10 Ų1066.1 Ų66.110%0.10333%0.325CS..EExtended strand (participates in β ladder)trans162.4-155.2-177.800000114.3L133 V280G131-L133 PolarHBondContact O-N 2.71Å; G131-V280 CarbonylContact C-O 3.54Å; G131-V280 WeakPolarHBondContact CA-O 3.23Å
132G91Very high96Very high1 Ų159.5 Ų59.51%0.0130%0.295CS..  trans-57.7130.6178.500000113.7G169 V170 V280 E281G132-G169 VanDerWaalsContact O-CA 3.3Å; G132-G169 WeakPolarHBondContact O-CA 3.23Å; G132-V170 PolarHBondContact O-N 3.37Å; G132-V280 PolarHBondContact N-O 3.48Å; G132-E281 WeakPolarHBondContact CA-OE2 3.43Å; G132-E281 PolarHBondContact N-OE2 3.45Å
133L92.1Very high96.1Very high94 Ų9460 Ų6049%0.49230%0.295SS..SBendtrans-83.5-31.4171.6-63.1179.6000112.1G131 T168G131-L133 PolarHBondContact O-N 2.71Å; L133-T168 VanDerWaalsContact O-CB 3.31Å; L133-T168 WeakPolarHBondContact O-CB 3.37Å; L133-T168 PolarHBondContact O-OG1 2.84Å
134Q93Very high96.2Very high146 Ų14665.2 Ų65.268%0.68232%0.319SS*.SBendtrans-87.2152.4176.2-67.5179.9-17.300110.3F136 G169Q134-F136 WeakPolarHBondContact O-CD1 3.35Å; Q134-F136 PolarHBondContact O-N 3.39Å; Q134-G169 WeakPolarHBondContact O-CA 3.33Å
135N95Very high96.3Very high105 Ų10562.9 Ų62.956%0.56132%0.317SS*.  trans-65.2134.7176.7-69.1-22.5000110.9T168 G169N135-T168 WeakPolarHBondContact OD1-CA 3.21Å; N135-G169 PolarHBondContact OD1-N 2.93Å
136F96.4Very high96.4Very high34 Ų3462.1 Ų62.115%0.14931%0.312CS..  trans-143.3158.617563.1-88.4000108.7Q134 L138 V170 H173 V280 E281Q134-F136 WeakPolarHBondContact O-CD1 3.35Å; Q134-F136 PolarHBondContact O-N 3.39Å; F136-L138 HydrophobicContact CD2-CD2 4.33Å; F136-L138 HydrophobicContact CD2-CG 4.32Å; F136-L138 HydrophobicContact CE2-CD1 4.46Å; F136-L138 HydrophobicContact CE2-CD2 3.71Å; F136-L138 HydrophobicContact CE2-CG 3.78Å; F136-V170 HydrophobicContact CE1-CB 4.27Å; F136-V170 HydrophobicContact CZ-CB 4.18Å; F136-H173 AromaticContact CD2-NE2 3.95Å; F136-H173 AromaticContact CE2-CD2 3.86Å; F136-H173 AromaticContact CE2-NE2 3.78Å; F136-H173 AromaticContact CZ-CD2 3.82Å; F136-H173 PolarHBondContact O-CE1 2.82Å; F136-H173 PolarHBondContact O-NE2 3.05Å; F136-V280 HydrophobicContact CE2-CG1 4.33Å; F136-V280 HydrophobicContact CZ-CG1 4.17Å; F136-E281 HydrophobicContact CD1-CB 4.2Å; F136-E281 HydrophobicContact CD1-CG 4.13Å; F136-E281 HydrophobicContact CD2-CB 4.12Å; F136-E281 HydrophobicContact CD2-CG 4.16Å; F136-E281 HydrophobicContact CE1-CB 3.81Å; F136-E281 HydrophobicContact CE1-CG 4.26Å; F136-E281 HydrophobicContact CE2-CB 3.69Å; F136-E281 HydrophobicContact CE2-CG 4.25Å; F136-E281 HydrophobicContact CG-CB 4.36Å; F136-E281 HydrophobicContact CG-CG 4.11Å; F136-E281 HydrophobicContact CZ-CB 3.54Å; F136-E281 HydrophobicContact CZ-CG 4.31Å
137E96.5Very high96.3Very high132 Ų13262.6 Ų62.662%0.61732%0.317SS*.PPolyproline II helixtrans-102.7132.6176.5-68.4-58.6150.400110.6R172E137-R172 IonicContact OE1-NH2 3.98Å
138L96.6Very high96.2Very high13 Ų1368.2 Ų68.27%0.06834%0.341CS..PPolyproline II helixtrans-88.4145.2171.3-73.9172.3000109.1F136 L142 K143 F146 H173 V280F136-L138 HydrophobicContact CD2-CD2 4.33Å; F136-L138 HydrophobicContact CD2-CG 4.32Å; F136-L138 HydrophobicContact CE2-CD1 4.46Å; F136-L138 HydrophobicContact CE2-CD2 3.71Å; F136-L138 HydrophobicContact CE2-CG 3.78Å; L138-L142 HydrophobicContact CD2-CD2 4.03Å; L138-L142 HydrophobicContact CD2-CG 4.48Å; L138-K143 HydrophobicContact CB-CB 3.94Å; L138-K143 HydrophobicContact CD1-CB 4.45Å; L138-F146 HydrophobicContact CD1-CD1 4.43Å; L138-H173 HydrophobicContact CD1-CB 4.24Å; L138-V280 HydrophobicContact CD1-CG1 4.34Å; L138-V280 HydrophobicContact CD2-CG1 4.08Å
139Q96.6Very high96.1Very high140 Ų14070.1 Ų70.165%0.65436%0.361SS*.PPolyproline II helixtrans-55.7137.9168.9-66.8-169.616.500110K141 L142 K143Q139-K141 VanDerWaalsContact C-N 3.29Å; Q139-K141 PolarHBondContact O-N 3.5Å; Q139-K141 VanDerWaalsContact O-N 3.13Å; Q139-L142 HydrophobicContact CB-CB 4.34Å; Q139-L142 WeakPolarHBondContact O-CA 3.28Å; Q139-L142 WeakPolarHBondContact O-CB 3.28Å; Q139-L142 PolarHBondContact O-N 3.35Å; Q139-K143 PolarHBondContact O-N 2.78Å
140P96.8Very high96.1Very high112 Ų11270.4 Ų70.473%0.72736%0.362SS*.Hα-helixtrans-53.4-41.9-171.2-30.235.2000114.5L142 K143 Q144P140-L142 PolarHBondContact O-N 3.19Å; P140-K143 PolarHBondContact O-N 3.45Å; P140-Q144 WeakPolarHBondContact O-CB 3.17Å; P140-Q144 PolarHBondContact O-N 3.37Å
141K96.9Very high96Very high171 Ų17170.3 Ų70.374%0.74336%0.362SS*.Hα-helixtrans-62.2-43.6176.5-174.1177.3179.3-178.60111.6Q139 Q144 V145Q139-K141 VanDerWaalsContact C-N 3.29Å; Q139-K141 PolarHBondContact O-N 3.5Å; Q139-K141 VanDerWaalsContact O-N 3.13Å; K141-Q144 PolarHBondContact O-N 2.84Å; K141-V145 WeakPolarHBondContact O-CG2 3.37Å; K141-V145 PolarHBondContact O-N 2.83Å
142L96.9Very high96Very high34 Ų3477 Ų7718%0.17839%0.388CS..Hα-helixtrans-68.1-43.4178.9-171.359.2000111.4L138 Q139 P140 Q144 V145 F146 G307L138-L142 HydrophobicContact CD2-CD2 4.03Å; L138-L142 HydrophobicContact CD2-CG 4.48Å; Q139-L142 HydrophobicContact CB-CB 4.34Å; Q139-L142 WeakPolarHBondContact O-CA 3.28Å; Q139-L142 WeakPolarHBondContact O-CB 3.28Å; Q139-L142 PolarHBondContact O-N 3.35Å; P140-L142 PolarHBondContact O-N 3.19Å; L142-Q144 VanDerWaalsContact C-N 3.28Å; L142-Q144 PolarHBondContact O-N 2.85Å; L142-V145 PolarHBondContact O-N 2.91Å; L142-F146 VanDerWaalsContact O-CB 3.26Å; L142-F146 WeakPolarHBondContact O-CB 3.37Å; L142-F146 PolarHBondContact O-N 2.9Å; L142-G307 VanDerWaalsContact CD2-C 3.47Å; L142-G307 WeakPolarHBondContact CD2-O 2.87Å
143K97.1Very high96.3Very high63 Ų6378.8 Ų78.827%0.27440%0.403SS..Hα-helixtrans-54.7-45.4173.8-172175.8-177.1173.10111.3L138 Q139 P140 G147 D176L138-K143 HydrophobicContact CB-CB 3.94Å; L138-K143 HydrophobicContact CD1-CB 4.45Å; Q139-K143 PolarHBondContact O-N 2.78Å; P140-K143 PolarHBondContact O-N 3.45Å; K143-G147 PolarHBondContact O-N 3.3Å; K143-D176 WeakPolarHBondContact CE-OD2 3.38Å; K143-D176 IonicContact NZ-OD2 2.92Å; K143-D176 PolarHBondContact NZ-OD2 2.92Å
144Q95.9Very high96.5Very high111 Ų11174.4 Ų74.452%0.51938%0.381SS..Hα-helixtrans-64.7-45.8178.2179.8179.4-28.300112.4P140 K141 L142 K148P140-Q144 WeakPolarHBondContact O-CB 3.17Å; P140-Q144 PolarHBondContact O-N 3.37Å; K141-Q144 PolarHBondContact O-N 2.84Å; L142-Q144 VanDerWaalsContact C-N 3.28Å; L142-Q144 PolarHBondContact O-N 2.85Å; Q144-K148 HydrophobicContact CG-CD 3.9Å; Q144-K148 HydrophobicContact CG-CG 4.47Å; Q144-K148 VanDerWaalsContact O-CB 3.31Å; Q144-K148 WeakPolarHBondContact O-CB 3.32Å; Q144-K148 WeakPolarHBondContact O-CG 3.45Å; Q144-K148 PolarHBondContact O-N 3.46Å
145V96.9Very high96.5Very high93 Ų9371.7 Ų71.756%0.56437%0.369SS*.Hα-helixtrans-65.4-46.7-180171.40000110.7K141 L142 G149K141-V145 WeakPolarHBondContact O-CG2 3.37Å; K141-V145 PolarHBondContact O-N 2.83Å; L142-V145 PolarHBondContact O-N 2.91Å; V145-G149 WeakPolarHBondContact O-CA 3.45Å; V145-G149 PolarHBondContact O-N 3.27Å
146F97.6Very high96.5Very high15 Ų1572 Ų727%0.06638%0.375CS..Hα-helixtrans-56.6-55.6175.9168.1-105.8000111.4L138 L142 G149 L150 V170 H173 V174 L278 V280L138-F146 HydrophobicContact CD1-CD1 4.43Å; L142-F146 VanDerWaalsContact O-CB 3.26Å; L142-F146 WeakPolarHBondContact O-CB 3.37Å; L142-F146 PolarHBondContact O-N 2.9Å; F146-G149 PolarHBondContact O-N 3.49Å; F146-L150 HydrophobicContact CE2-CD2 4.49Å; F146-L150 HydrophobicContact CZ-CD2 4.1Å; F146-L150 WeakPolarHBondContact O-CB 3.19Å; F146-L150 PolarHBondContact O-N 3.22Å; F146-V170 HydrophobicContact CZ-CG2 4.44Å; F146-H173 HydrophobicContact CD1-CB 4.42Å; F146-H173 HydrophobicContact CE1-CB 3.94Å; F146-V174 HydrophobicContact CE1-CG2 4.22Å; F146-V174 HydrophobicContact CZ-CG2 3.81Å; F146-L278 HydrophobicContact CD2-CD2 4.37Å; F146-L278 HydrophobicContact CE2-CD2 3.72Å; F146-L278 HydrophobicContact CE2-CG 4.41Å; F146-V280 HydrophobicContact CD2-CG2 3.89Å; F146-V280 HydrophobicContact CE2-CG2 3.47Å; F146-V280 VanDerWaalsContact CE2-CG2 3.47Å; F146-V280 HydrophobicContact CZ-CG2 4.1Å
147G97.1Very high96.3Very high10 Ų1072.8 Ų72.810%0.10338%0.382CS..Hα-helixtrans-61.9-50.4-176.900000112.4K143 G149 I151K143-G147 PolarHBondContact O-N 3.3Å; G147-G149 PolarHBondContact O-N 2.99Å; G147-I151 WeakPolarHBondContact O-CB 3.35Å; G147-I151 WeakPolarHBondContact O-CG1 3.49Å; G147-I151 PolarHBondContact O-N 3.46Å; G147-I151 VanDerWaalsContact O-N 3.13Å
148K96.1Very high96.1Very high129 Ų12968.7 Ų68.756%0.56138%0.376SS*.Hα-helixtrans-64.4-40.1178.9-71.8-179176.11770112.2Q144 K152Q144-K148 HydrophobicContact CG-CD 3.9Å; Q144-K148 HydrophobicContact CG-CG 4.47Å; Q144-K148 VanDerWaalsContact O-CB 3.31Å; Q144-K148 WeakPolarHBondContact O-CB 3.32Å; Q144-K148 WeakPolarHBondContact O-CG 3.45Å; Q144-K148 PolarHBondContact O-N 3.46Å; K148-K152 WeakPolarHBondContact O-CB 3.27Å; K148-K152 PolarHBondContact O-N 3.48Å
149G97.2Very high96.1Very high40 Ų4068.3 Ų68.341%0.41237%0.374SS..Hα-helixtrans-62.9-49.517900000112.1V145 F146 G147 K152 A153V145-G149 WeakPolarHBondContact O-CA 3.45Å; V145-G149 PolarHBondContact O-N 3.27Å; F146-G149 PolarHBondContact O-N 3.49Å; G147-G149 PolarHBondContact O-N 2.99Å; G149-K152 PolarHBondContact O-N 3.34Å; G149-A153 WeakPolarHBondContact O-CB 3.5Å; G149-A153 PolarHBondContact O-N 2.95Å
150L98.1Very high96.2Very high9 Ų962 Ų625%0.04735%0.345CS..Hα-helixtrans-59.6-49.7178.8179.161.4000111.7I127 F146 A153 A154 I161 V174 L278I127-L150 HydrophobicContact CD1-CD1 4.28Å; I127-L150 HydrophobicContact CG2-CD1 3.96Å; F146-L150 HydrophobicContact CE2-CD2 4.49Å; F146-L150 HydrophobicContact CZ-CD2 4.1Å; F146-L150 WeakPolarHBondContact O-CB 3.19Å; F146-L150 PolarHBondContact O-N 3.22Å; L150-A153 PolarHBondContact O-N 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.34Å; L150-I161 HydrophobicContact CD1-CD1 4.07Å; L150-I161 HydrophobicContact CD2-CD1 4.49Å; L150-I161 HydrophobicContact CG-CD1 4.12Å; L150-V174 HydrophobicContact CD2-CB 4.49Å; L150-V174 HydrophobicContact CD2-CG1 4.04Å; L150-V174 HydrophobicContact CD2-CG2 4.01Å; L150-L278 HydrophobicContact CD1-CD2 4.12Å
151I97.1Very high96.3Very high14 Ų1456.7 Ų56.77%0.07231%0.31CS..Hα-helixtrans-61.6-47.3179.5-65.4-63.4000110.8G147 A153 A154 M155 A177 L178 H181 I189G147-I151 WeakPolarHBondContact O-CB 3.35Å; G147-I151 WeakPolarHBondContact O-CG1 3.49Å; G147-I151 PolarHBondContact O-N 3.46Å; G147-I151 VanDerWaalsContact O-N 3.13Å; I151-A153 PolarHBondContact O-N 3Å; I151-A154 PolarHBondContact O-N 2.85Å; I151-M155 HydrophobicContact CG2-CG 4.49Å; I151-M155 HydrophobicContact CG2-SD 4.16Å; I151-M155 WeakPolarHBondContact O-CG 3.34Å; I151-M155 PolarHBondContact O-N 3.1Å; I151-A177 HydrophobicContact CD1-CB 4.37Å; I151-A177 HydrophobicContact CG1-CB 4.08Å; I151-L178 HydrophobicContact CD1-CD2 3.72Å; I151-L178 HydrophobicContact CD1-CG 4.21Å; I151-H181 HydrophobicContact CD1-CB 4.06Å; I151-H181 HydrophobicContact CG1-CB 4.26Å; I151-H181 HydrophobicContact CG2-CB 3.83Å; I151-I189 HydrophobicContact CB-CD1 4.44Å; I151-I189 HydrophobicContact CD1-CD1 3.51Å; I151-I189 HydrophobicContact CG2-CD1 3.94Å
152K95.8Very high96.4Very high150 Ų15048.6 Ų48.665%0.65228%0.275SS*.Hα-helixtrans-62.5-44.2179.8-173.9174.6-179.2-179.30111.6K148 G149 T156K148-K152 WeakPolarHBondContact O-CB 3.27Å; K148-K152 PolarHBondContact O-N 3.48Å; G149-K152 PolarHBondContact O-N 3.34Å; K152-T156 VanDerWaalsContact O-CB 3.27Å; K152-T156 WeakPolarHBondContact O-CB 3.28Å; K152-T156 PolarHBondContact O-N 2.87Å; K152-T156 PolarHBondContact O-OG1 3.21Å
153A96.3Very high96.5Very high39 Ų3947 Ų4732%0.32227%0.266SS..Hα-helixtrans-60.2-47.5177.300000111.3I127 G149 L150 I151 T157I127-A153 HydrophobicContact CD1-CB 4.21Å; G149-A153 WeakPolarHBondContact O-CB 3.5Å; G149-A153 PolarHBondContact O-N 2.95Å; L150-A153 PolarHBondContact O-N 3.28Å; I151-A153 PolarHBondContact O-N 3Å; A153-T157 WeakPolarHBondContact O-CG2 3.48Å; A153-T157 PolarHBondContact O-N 3.18Å; A153-T157 PolarHBondContact O-OG1 3.35Å
154A96.2Very high96.5Very high3 Ų344.8 Ų44.83%0.02526%0.262CS..Hα-helixtrans-64.1-45.8-178.800000112.7L150 I151 G158 A159 I161 I189L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.34Å; I151-A154 PolarHBondContact O-N 2.85Å; A154-G158 WeakPolarHBondContact O-CA 3.23Å; A154-G158 PolarHBondContact O-N 3.42Å; A154-A159 HydrophobicContact CB-CB 4.35Å; A154-A159 PolarHBondContact O-N 2.99Å; A154-I161 HydrophobicContact CB-CD1 3.83Å; A154-I161 HydrophobicContact CB-CG1 4.13Å; A154-I189 HydrophobicContact CB-CG2 3.97Å
155M93.9Very high96.6Very high88 Ų8839.5 Ų39.543%0.43324%0.237SC..Hα-helixtrans-66.2-43.7178.8-72.2-173.677.900113.3I151 T157 H181 I189I151-M155 HydrophobicContact CG2-CG 4.49Å; I151-M155 HydrophobicContact CG2-SD 4.16Å; I151-M155 WeakPolarHBondContact O-CG 3.34Å; I151-M155 PolarHBondContact O-N 3.1Å; M155-T157 VanDerWaalsContact C-N 3.27Å; M155-T157 PolarHBondContact O-N 3.49Å; M155-H181 PolarHBondContact SD-CE1 3.38Å; M155-I189 HydrophobicContact CG-CD1 3.95Å; M155-I189 HydrophobicContact CG-CG1 4.04Å
156T93.5Very high96.6Very high111 Ų11135.2 Ų35.268%0.68121%0.211SC*.Hα-helixtrans-67.6-34-174-53.90000111.3K152K152-T156 VanDerWaalsContact O-CB 3.27Å; K152-T156 WeakPolarHBondContact O-CB 3.28Å; K152-T156 PolarHBondContact O-N 2.87Å; K152-T156 PolarHBondContact O-OG1 3.21Å
157T93.5Very high96.5Very high51 Ų5137.1 Ų37.131%0.31322%0.222SC..Hα-helixtrans-97.2-19.2-176.159.60000113.2K124 L125 A153 M155 A159K124-T157 WeakPolarHBondContact CB-O 3.38Å; K124-T157 WeakPolarHBondContact CD-O 3.17Å; L125-T157 HydrophobicContact CD2-CG2 4.27Å; A153-T157 WeakPolarHBondContact O-CG2 3.48Å; A153-T157 PolarHBondContact O-N 3.18Å; A153-T157 PolarHBondContact O-OG1 3.35Å; M155-T157 VanDerWaalsContact C-N 3.27Å; M155-T157 PolarHBondContact O-N 3.49Å; T157-A159 WeakPolarHBondContact OG1-CB 3.3Å; T157-A159 PolarHBondContact OG1-N 3.07Å
158G92.4Very high96.4Very high46 Ų4637.8 Ų37.847%0.47422%0.224SC..THydrogen-bonded Turntrans69.842.7-166.400000111.3A154A154-G158 WeakPolarHBondContact O-CA 3.23Å; A154-G158 PolarHBondContact O-N 3.42Å
159A96.8Very high96.4Very high5 Ų531.6 Ų31.64%0.04120%0.197CC..  trans-77.2151.8-17900000112.4L125 I127 A154 T157L125-A159 HydrophobicContact CB-CB 3.91Å; L125-A159 HydrophobicContact CD2-CB 4.21Å; L125-A159 HydrophobicContact CG-CB 4.16Å; L125-A159 CarbonylContact O-C 3.51Å; L125-A159 WeakPolarHBondContact O-CA 3.32Å; L125-A159 WeakPolarHBondContact O-CB 3.47Å; I127-A159 HydrophobicContact CD1-CB 3.98Å; I127-A159 HydrophobicContact CG1-CB 4.13Å; A154-A159 HydrophobicContact CB-CB 4.35Å; A154-A159 PolarHBondContact O-N 2.99Å; T157-A159 WeakPolarHBondContact OG1-CB 3.3Å; T157-A159 PolarHBondContact OG1-N 3.07Å
160W98.4Very high96.4Very high9 Ų929.8 Ų29.83%0.03418%0.178CC..EExtended strand (participates in β ladder)trans-87.5144.1157.4-69.8-0.7000109.7L111 M114 T115 L120 E121 P123 L125 L126 I127 F162 C190 I192 I260L111-W160 HydrophobicContact CD1-CH2 4.43Å; M114-W160 HydrophobicContact CB-CH2 4.08Å; M114-W160 HydrophobicContact CE-CD2 4.39Å; M114-W160 HydrophobicContact CE-CE3 3.58Å; M114-W160 HydrophobicContact CE-CH2 3.83Å; M114-W160 HydrophobicContact CE-CZ3 3.27Å; M114-W160 HydrophobicContact SD-CH2 4.47Å; M114-W160 HydrophobicContact SD-CZ3 4.02Å; T115-W160 HydrophobicContact CG2-CH2 4.36Å; L120-W160 HydrophobicContact CB-CH2 4.32Å; L120-W160 HydrophobicContact CB-CZ2 3.51Å; L120-W160 HydrophobicContact CD1-CZ2 4.14Å; L120-W160 HydrophobicContact CG-CZ2 4.47Å; E121-W160 WeakPolarHBondContact O-CZ2 3.1Å; E121-W160 PolarHBondContact O-NE1 2.52Å; P123-W160 HydrophobicContact CB-CB 4.01Å; P123-W160 HydrophobicContact CB-CD2 3.84Å; P123-W160 HydrophobicContact CB-CE3 4.48Å; P123-W160 HydrophobicContact CB-CG 3.57Å; P123-W160 HydrophobicContact CG-CB 4.15Å; P123-W160 HydrophobicContact CG-CD2 3.47Å; P123-W160 VanDerWaalsContact CG-CD2 3.47Å; P123-W160 HydrophobicContact CG-CE3 3.63Å; P123-W160 HydrophobicContact CG-CG 3.71Å; P123-W160 HydrophobicContact CG-CZ2 4.44Å; P123-W160 HydrophobicContact CG-CZ3 4.17Å; L125-W160 PolarHBondContact O-N 3.36Å; L126-W160 HydrophobicContact CD1-CB 3.85Å; I127-W160 PolarHBondContact N-O 2.89Å; W160-F162 HydrophobicContact CE3-CE1 4.18Å; W160-C190 WeakPolarHBondContact CA-O 3.38Å; W160-C190 VanDerWaalsContact CD1-SG 3.59Å; W160-C190 HydrophobicContact CG-CB 4.28Å; W160-I192 HydrophobicContact CB-CD1 4.32Å; W160-I192 HydrophobicContact CD2-CD1 4.03Å; W160-I192 HydrophobicContact CE3-CD1 4.11Å; W160-I192 HydrophobicContact CG-CD1 4.15Å; W160-I260 HydrophobicContact CE3-CD1 4.21Å; W160-I260 HydrophobicContact CZ3-CD1 3.94Å
161I98.8Very high96.4Very high0 Ų029.8 Ų29.80%018%0.178CC..EExtended strand (participates in β ladder)trans-110.9117.8173.4-55.3176.7000108.9I127 V129 L150 A154 T163 I189 C190 T191 I192I127-I161 CarbonylContact O-C 3.58Å; I127-I161 WeakPolarHBondContact O-CA 3.47Å; V129-I161 HydrophobicContact CG2-CG2 3.93Å; L150-I161 HydrophobicContact CD1-CD1 4.07Å; L150-I161 HydrophobicContact CD2-CD1 4.49Å; L150-I161 HydrophobicContact CG-CD1 4.12Å; A154-I161 HydrophobicContact CB-CD1 3.83Å; A154-I161 HydrophobicContact CB-CG1 4.13Å; I161-T163 HydrophobicContact CG2-CG2 3.86Å; I161-I189 HydrophobicContact CD1-CG2 3.67Å; I161-I189 HydrophobicContact CG1-CG2 4.27Å; I161-C190 PolarHBondContact N-O 3.35Å; I161-T191 HydrophobicContact CB-CG2 4.1Å; I161-T191 HydrophobicContact CG2-CG2 4.19Å; I161-T191 WeakPolarHBondContact O-CA 3.36Å; I161-I192 PolarHBondContact O-N 3.29Å
162F98.8Very high96.4Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-95.5133.2171-8217.6000110.4M114 L126 I127 V129 W160 I192 I194 R253 L256 E257 I260M114-F162 HydrophobicContact CE-CE1 4.03Å; M114-F162 HydrophobicContact CE-CZ 4.14Å; L126-F162 HydrophobicContact CD1-CB 4.5Å; L126-F162 HydrophobicContact CD1-CD1 3.61Å; L126-F162 HydrophobicContact CD1-CD2 4.19Å; L126-F162 HydrophobicContact CD1-CE1 3.72Å; L126-F162 HydrophobicContact CD1-CE2 4.32Å; L126-F162 HydrophobicContact CD1-CG 3.85Å; L126-F162 HydrophobicContact CD1-CZ 4.12Å; L126-F162 HydrophobicContact CD2-CD2 4.37Å; L126-F162 HydrophobicContact CD2-CE2 4.23Å; I127-F162 PolarHBondContact O-N 2.83Å; V129-F162 PolarHBondContact N-O 3.11Å; W160-F162 HydrophobicContact CE3-CE1 4.18Å; F162-I192 WeakPolarHBondContact CA-O 3.47Å; F162-I192 HydrophobicContact CD1-CB 3.99Å; F162-I192 HydrophobicContact CD1-CD1 4.19Å; F162-I192 HydrophobicContact CD1-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CB 4.06Å; F162-I192 HydrophobicContact CE1-CD1 3.7Å; F162-I192 HydrophobicContact CE1-CG1 4.5Å; F162-I192 HydrophobicContact CE1-CG2 4.28Å; F162-I194 HydrophobicContact CD2-CD1 3.62Å; F162-I194 HydrophobicContact CE2-CD1 3.7Å; F162-I194 HydrophobicContact CG-CD1 4.19Å; F162-I194 HydrophobicContact CZ-CD1 4.34Å; F162-R253 PolarHBondContact O-NH2 3.41Å; F162-L256 HydrophobicContact CE2-CD2 3.81Å; F162-L256 HydrophobicContact CE2-CG 3.99Å; F162-L256 HydrophobicContact CZ-CD2 3.79Å; F162-L256 HydrophobicContact CZ-CG 4.14Å; F162-E257 HydrophobicContact CD2-CG 3.85Å; F162-E257 HydrophobicContact CE2-CG 4.06Å; F162-I260 HydrophobicContact CE1-CD1 4.44Å; F162-I260 HydrophobicContact CE2-CD1 4.05Å; F162-I260 HydrophobicContact CZ-CD1 3.53Å
163T98.6Very high96.5Very high0 Ų026.3 Ų26.30%016%0.16CC..EExtended strand (participates in β ladder)trans-141.4177.717392.70000111.2V129 I161 G165 V174 T191 I192 I194 H232V129-T163 HydrophobicContact CB-CG2 4.31Å; V129-T163 HydrophobicContact CG2-CG2 4.49Å; I161-T163 HydrophobicContact CG2-CG2 3.86Å; T163-G165 PolarHBondContact O-N 3.13Å; T163-G165 PolarHBondContact OG1-N 3.45Å; T163-V174 HydrophobicContact CG2-CG1 4.22Å; T163-T191 HydrophobicContact CG2-CG2 4.27Å; T163-I192 PolarHBondContact N-O 2.95Å; T163-I192 VanDerWaalsContact N-O 3.09Å; T163-I194 PolarHBondContact O-N 2.83Å; T163-H232 PolarHBondContact OG1-NE2 2.94Å
164G97.6Very high96.6Very high17 Ų1724.5 Ų24.518%0.17515%0.145CC..  trans-71.6-2.5173.100000115.5V166 I194 A195G164-V166 PolarHBondContact O-N 3.44Å; G164-I194 CarbonylContact C-O 3.6Å; G164-I194 WeakPolarHBondContact CA-O 3.26Å; G164-A195 VanDerWaalsContact O-CB 3.31Å; G164-A195 WeakPolarHBondContact O-CB 3.33Å
165G97.1Very high96.6Very high0 Ų024.4 Ų24.40%015%0.145CC..  trans70.2-27.8173.200000117.6T163 G193 N229 F235T163-G165 PolarHBondContact O-N 3.13Å; T163-G165 PolarHBondContact OG1-N 3.45Å; G165-G193 VanDerWaalsContact CA-CA 3.49Å; G165-N229 WeakPolarHBondContact O-CB 3.16Å; G165-N229 PolarHBondContact O-N 2.86Å; G165-F235 WeakPolarHBondContact O-CE1 3.3Å
166V96.8Very high96.6Very high4 Ų422.2 Ų22.22%0.02413%0.134CC..BIsolated β-bridgetrans-81.9147.4-179.7-62.90000112.1G164 T168 I171 A195 I199 T226 L228G164-V166 PolarHBondContact O-N 3.44Å; V166-T168 PolarHBondContact O-N 3.23Å; V166-I171 WeakPolarHBondContact O-CB 3.4Å; V166-I171 WeakPolarHBondContact O-CG2 3.17Å; V166-A195 HydrophobicContact CG1-CB 4.05Å; V166-I199 HydrophobicContact CG1-CD1 3.81Å; V166-I199 HydrophobicContact CG1-CG1 4.34Å; V166-I199 HydrophobicContact CG2-CD1 4.39Å; V166-T226 WeakPolarHBondContact CB-OG1 3.31Å; V166-T226 WeakPolarHBondContact CG1-OG1 3.37Å; V166-L228 HydrophobicContact CG1-CD2 4.43Å
167N95.6Very high96.8Very high55 Ų5517.3 Ų17.329%0.29411%0.105SC..SBendtrans-81.353.5-172.2-165.627.7000113.6V227 N229N167-V227 HydrophobicContact CB-CG2 3.9Å; N167-V227 WeakPolarHBondContact CB-O 3.39Å; N167-V227 PolarHBondContact N-O 3.48Å; N167-N229 HydrophobicContact CB-CB 4.07Å; N167-N229 PolarHBondContact OD1-ND2 3.02Å
168T95.1Very high96.9Very high23 Ų2315.4 Ų15.414%0.1419%0.093CC..SBendtrans-135.2158.1177.964.20000111.8L133 N135 V166 V170 I171 T226L133-T168 VanDerWaalsContact O-CB 3.31Å; L133-T168 WeakPolarHBondContact O-CB 3.37Å; L133-T168 PolarHBondContact O-OG1 2.84Å; N135-T168 WeakPolarHBondContact OD1-CA 3.21Å; V166-T168 PolarHBondContact O-N 3.23Å; T168-V170 PolarHBondContact O-N 3.4Å; T168-I171 PolarHBondContact O-N 2.93Å; T168-I171 VanDerWaalsContact O-N 3.16Å; T168-T226 HydrophobicContact CG2-CG2 3.72Å
169G96.1Very high96.9Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans52.7-130.1173.600000113.7G132 Q134 N135 I171 R172G132-G169 VanDerWaalsContact O-CA 3.3Å; G132-G169 WeakPolarHBondContact O-CA 3.23Å; Q134-G169 WeakPolarHBondContact O-CA 3.33Å; N135-G169 PolarHBondContact OD1-N 2.93Å; G169-I171 PolarHBondContact O-N 2.96Å; G169-R172 WeakPolarHBondContact O-CB 3.44Å; G169-R172 PolarHBondContact O-N 3.17Å; G169-R172 VanDerWaalsContact O-N 3.16Å
170V97.9Very high96.6Very high1 Ų123.4 Ų23.41%0.00612%0.119CC..Hα-helixtrans-61.6-30.7-176.865.90000112.4V129 G132 F136 F146 T168 R172 H173 V174 V280V129-V170 HydrophobicContact CG1-CG2 3.99Å; G132-V170 PolarHBondContact O-N 3.37Å; F136-V170 HydrophobicContact CE1-CB 4.27Å; F136-V170 HydrophobicContact CZ-CB 4.18Å; F146-V170 HydrophobicContact CZ-CG2 4.44Å; T168-V170 PolarHBondContact O-N 3.4Å; V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 PolarHBondContact O-N 2.89Å; V170-H173 PolarHBondContact O-N 2.95Å; V170-H173 VanDerWaalsContact O-N 3.12Å; V170-V174 PolarHBondContact O-N 3.33Å; V170-V174 VanDerWaalsContact O-N 3.08Å; V170-V280 HydrophobicContact CG2-CB 3.66Å; V170-V280 HydrophobicContact CG2-CG1 4.25Å; V170-V280 HydrophobicContact CG2-CG2 3.97Å
171I98Very high96.2Very high10 Ų1024.2 Ų24.25%0.05112%0.122CC..Hα-helixtrans-66-32.8-179.1-65.372.8000110.8V166 T168 G169 H173 V174 G175 N229V166-I171 WeakPolarHBondContact O-CB 3.4Å; V166-I171 WeakPolarHBondContact O-CG2 3.17Å; T168-I171 PolarHBondContact O-N 2.93Å; T168-I171 VanDerWaalsContact O-N 3.16Å; G169-I171 PolarHBondContact O-N 2.96Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 2.73Å; I171-V174 PolarHBondContact O-N 2.93Å; I171-G175 PolarHBondContact O-N 2.99Å; I171-N229 HydrophobicContact CG2-CB 4.01Å
172R96.8Very high95.6Very high88 Ų8827.1 Ų27.133%0.33215%0.147SC..Hα-helixtrans-59.2-44.8172.9175.1-179.5145.287.2-5.3111.2E137 G169 V170 V174 G175 D176E137-R172 IonicContact OE1-NH2 3.98Å; G169-R172 WeakPolarHBondContact O-CB 3.44Å; G169-R172 PolarHBondContact O-N 3.17Å; G169-R172 VanDerWaalsContact O-N 3.16Å; V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 PolarHBondContact O-N 2.89Å; R172-V174 VanDerWaalsContact C-N 3.34Å; R172-V174 PolarHBondContact O-N 3.45Å; R172-G175 PolarHBondContact O-N 3.37Å; R172-D176 PolarHBondContact O-N 3.05Å
173H98.1Very high94.6Very high3 Ų331.7 Ų31.71%0.01418%0.179CC..Hα-helixtrans-66.1-35.7177.4-64.6-64.3000112.4F136 L138 F146 V170 I171 A177F136-H173 AromaticContact CD2-NE2 3.95Å; F136-H173 AromaticContact CE2-CD2 3.86Å; F136-H173 AromaticContact CE2-NE2 3.78Å; F136-H173 AromaticContact CZ-CD2 3.82Å; F136-H173 PolarHBondContact O-CE1 2.82Å; F136-H173 PolarHBondContact O-NE2 3.05Å; L138-H173 HydrophobicContact CD1-CB 4.24Å; F146-H173 HydrophobicContact CD1-CB 4.42Å; F146-H173 HydrophobicContact CE1-CB 3.94Å; V170-H173 PolarHBondContact O-N 2.95Å; V170-H173 VanDerWaalsContact O-N 3.12Å; I171-H173 VanDerWaalsContact C-N 3.34Å; I171-H173 PolarHBondContact O-N 2.73Å; H173-A177 PolarHBondContact O-N 3.29Å; H173-A177 VanDerWaalsContact O-N 3.15Å
174V98.2Very high93.7Very high0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-64-45.4171.6175.80000110.8V129 F146 L150 T163 V170 I171 R172 A177 L178V129-V174 HydrophobicContact CG1-CG2 4.07Å; F146-V174 HydrophobicContact CE1-CG2 4.22Å; F146-V174 HydrophobicContact CZ-CG2 3.81Å; L150-V174 HydrophobicContact CD2-CB 4.49Å; L150-V174 HydrophobicContact CD2-CG1 4.04Å; L150-V174 HydrophobicContact CD2-CG2 4.01Å; T163-V174 HydrophobicContact CG2-CG1 4.22Å; V170-V174 PolarHBondContact O-N 3.33Å; V170-V174 VanDerWaalsContact O-N 3.08Å; I171-V174 PolarHBondContact O-N 2.93Å; R172-V174 VanDerWaalsContact C-N 3.34Å; R172-V174 PolarHBondContact O-N 3.45Å; V174-A177 PolarHBondContact O-N 3.33Å; V174-L178 HydrophobicContact CG1-CD1 3.94Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 3.05Å
175G96Very high92.6Very high2 Ų240.9 Ų40.92%0.02122%0.22CC..Hα-helixtrans-60.2-44.617700000112.6I171 R172 A177 L178 K179 M231I171-G175 PolarHBondContact O-N 2.99Å; R172-G175 PolarHBondContact O-N 3.37Å; G175-A177 VanDerWaalsContact C-N 3.32Å; G175-A177 PolarHBondContact O-N 2.75Å; G175-L178 PolarHBondContact O-N 3.22Å; G175-K179 WeakPolarHBondContact O-CB 3.36Å; G175-K179 PolarHBondContact O-N 2.91Å; G175-M231 WeakPolarHBondContact O-CG 3.45Å
176D95.5Very high91.2Very high41 Ų4152.6 Ų52.622%0.21926%0.264CS..Hα-helixtrans-57.2-45.2174.5-75.6-6.7000111.3K143 R172 L178 K179 D180K143-D176 WeakPolarHBondContact CE-OD2 3.38Å; K143-D176 IonicContact NZ-OD2 2.92Å; K143-D176 PolarHBondContact NZ-OD2 2.92Å; R172-D176 PolarHBondContact O-N 3.05Å; D176-L178 PolarHBondContact O-N 2.95Å; D176-K179 PolarHBondContact O-N 2.97Å; D176-D180 WeakPolarHBondContact O-CB 3.49Å; D176-D180 PolarHBondContact O-N 3.09Å
177A96.6Very high90Very high9 Ų954 Ų547%0.07428%0.28CS..Hα-helixtrans-63.7-40.6177.800000112.7I151 H173 V174 G175 H181I151-A177 HydrophobicContact CD1-CB 4.37Å; I151-A177 HydrophobicContact CG1-CB 4.08Å; H173-A177 PolarHBondContact O-N 3.29Å; H173-A177 VanDerWaalsContact O-N 3.15Å; V174-A177 PolarHBondContact O-N 3.33Å; G175-A177 VanDerWaalsContact C-N 3.32Å; G175-A177 PolarHBondContact O-N 2.75Å; A177-H181 WeakPolarHBondContact O-CB 3.38Å; A177-H181 PolarHBondContact O-N 3.13Å; A177-H181 VanDerWaalsContact O-N 3.11Å
178L94.8Very high89.4Confident11 Ų1161.4 Ų61.46%0.05831%0.309CS..Hα-helixtrans-65.5-40.1175.8-71.2166.7000111.6I151 V174 G175 D176 H181 A182 I189 T191 M231I151-L178 HydrophobicContact CD1-CD2 3.72Å; I151-L178 HydrophobicContact CD1-CG 4.21Å; V174-L178 HydrophobicContact CG1-CD1 3.94Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 3.05Å; G175-L178 PolarHBondContact O-N 3.22Å; D176-L178 PolarHBondContact O-N 2.95Å; L178-H181 PolarHBondContact O-N 3.1Å; L178-A182 WeakPolarHBondContact O-CB 3.44Å; L178-A182 PolarHBondContact O-N 2.87Å; L178-I189 HydrophobicContact CD2-CB 4.06Å; L178-I189 HydrophobicContact CD2-CD1 4.13Å; L178-I189 HydrophobicContact CD2-CG2 4.08Å; L178-T191 HydrophobicContact CD1-CG2 3.86Å; L178-M231 HydrophobicContact CB-CB 3.93Å; L178-M231 HydrophobicContact CB-CE 4.42Å; L178-M231 HydrophobicContact CD1-CB 4.18Å
179K92.5Very high89.3Confident125 Ų12561.4 Ų61.454%0.54331%0.308SS..Hα-helixtrans-64.8-47.3177.7-174.4-178177.5-175.20111.6G175 D176 H181 A182 S183 M231G175-K179 WeakPolarHBondContact O-CB 3.36Å; G175-K179 PolarHBondContact O-N 2.91Å; D176-K179 PolarHBondContact O-N 2.97Å; K179-H181 PolarHBondContact O-N 2.94Å; K179-A182 PolarHBondContact O-N 3.01Å; K179-S183 PolarHBondContact O-N 2.5Å; K179-S183 VanDerWaalsContact O-N 3.17Å; K179-M231 HydrophobicContact CB-CE 3.98Å; K179-M231 HydrophobicContact CB-CG 4.14Å; K179-M231 HydrophobicContact CB-SD 3.88Å; K179-M231 HydrophobicContact CG-SD 4.17Å
180D91.1Very high89.3Confident94 Ų9462.5 Ų62.550%0.50332%0.315SS..Hα-helixtrans-59.9-38.3177.2-79.4-3.9000111.6D176 S183 K184D176-D180 WeakPolarHBondContact O-CB 3.49Å; D176-D180 PolarHBondContact O-N 3.09Å; D180-S183 PolarHBondContact O-OG 2.84Å; D180-K184 WeakPolarHBondContact O-CD 3.47Å; D180-K184 WeakPolarHBondContact O-CG 3.19Å
181H89.5Confident89.3Confident25 Ų2562.5 Ų62.512%0.11632%0.315CS..Hα-helixtrans-68-48.5175.6175.561.4000112.8I151 M155 A177 L178 K179 S183 K184 S185 G187I151-H181 HydrophobicContact CD1-CB 4.06Å; I151-H181 HydrophobicContact CG1-CB 4.26Å; I151-H181 HydrophobicContact CG2-CB 3.83Å; M155-H181 PolarHBondContact SD-CE1 3.38Å; A177-H181 WeakPolarHBondContact O-CB 3.38Å; A177-H181 PolarHBondContact O-N 3.13Å; A177-H181 VanDerWaalsContact O-N 3.11Å; L178-H181 PolarHBondContact O-N 3.1Å; K179-H181 PolarHBondContact O-N 2.94Å; H181-S183 PolarHBondContact O-N 3.45Å; H181-K184 PolarHBondContact O-N 2.84Å; H181-S185 WeakPolarHBondContact CE1-CB 3.31Å; H181-S185 PolarHBondContact O-N 3.35Å; H181-G187 PolarHBondContact NE2-O 2.89Å
182A86Confident89.4Confident62 Ų6262 Ų6251%0.51231%0.313SS..Hα-helixtrans-59.1-31.7-17900000112.7L178 K179 K184 M231L178-A182 WeakPolarHBondContact O-CB 3.44Å; L178-A182 PolarHBondContact O-N 2.87Å; K179-A182 PolarHBondContact O-N 3.01Å; A182-K184 VanDerWaalsContact C-N 3.26Å; A182-K184 PolarHBondContact O-N 2.67Å; A182-M231 HydrophobicContact CB-CE 4.39Å
183S78.8Confident89.4Confident95 Ų9557.8 Ų57.866%0.66430%0.297SS*.THydrogen-bonded Turntrans-69.8-20.3174.771.90000114.1K179 D180 H181K179-S183 PolarHBondContact O-N 2.5Å; K179-S183 VanDerWaalsContact O-N 3.17Å; D180-S183 PolarHBondContact O-OG 2.84Å; H181-S183 PolarHBondContact O-N 3.45Å
184K78.8Confident89.5Confident161 Ų16157.7 Ų57.770%0.730%0.297SS*.THydrogen-bonded Turntrans-111.1-18-172.4-66.8172.2-172.31650113.8D180 H181 A182D180-K184 WeakPolarHBondContact O-CD 3.47Å; D180-K184 WeakPolarHBondContact O-CG 3.19Å; H181-K184 PolarHBondContact O-N 2.84Å; A182-K184 VanDerWaalsContact C-N 3.26Å; A182-K184 PolarHBondContact O-N 2.67Å
185S75.4Confident89.5Confident49 Ų4957.7 Ų57.734%0.34330%0.297SS..  trans-149.4152.4-173.7-175.20000112.3H181 G187H181-S185 WeakPolarHBondContact CE1-CB 3.31Å; H181-S185 PolarHBondContact O-N 3.35Å; S185-G187 PolarHBondContact OG-N 2.87Å
186R68.5Low89.6Confident247 Ų24757.8 Ų57.893%0.93230%0.296SS*.  trans-85.8-7.8176.4-67.2-174.7176.4162.1-0.5114K188R186-K188 PolarHBondContact O-N 3.04Å
187G71.3Confident89.7Confident34 Ų3455.9 Ų55.935%0.35129%0.286SS..  trans-67.5114.8-178.500000111.7H181 S185H181-G187 PolarHBondContact NE2-O 2.89Å; S185-G187 PolarHBondContact OG-N 2.87Å
188K82.4Confident89.8Confident210 Ų21055.5 Ų55.591%0.91328%0.283SS*.  trans-79.7124.3177.1-68.2-174.6179.9-178.90110.3R186R186-K188 PolarHBondContact O-N 3.04Å
189I93.1Very high89.8Confident23 Ų2355.2 Ų55.212%0.11828%0.282CS..  trans-94.5127.5175.3-63.7171.6000108.4I151 A154 M155 I161 L178 T191I151-I189 HydrophobicContact CB-CD1 4.44Å; I151-I189 HydrophobicContact CD1-CD1 3.51Å; I151-I189 HydrophobicContact CG2-CD1 3.94Å; A154-I189 HydrophobicContact CB-CG2 3.97Å; M155-I189 HydrophobicContact CG-CD1 3.95Å; M155-I189 HydrophobicContact CG-CG1 4.04Å; I161-I189 HydrophobicContact CD1-CG2 3.67Å; I161-I189 HydrophobicContact CG1-CG2 4.27Å; L178-I189 HydrophobicContact CD2-CB 4.06Å; L178-I189 HydrophobicContact CD2-CD1 4.13Å; L178-I189 HydrophobicContact CD2-CG2 4.08Å; I189-T191 PolarHBondContact O-N 3.27Å; I189-T191 VanDerWaalsContact O-N 3.1Å
190C96.3Very high90.1Very high22 Ų2249.2 Ų49.215%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-75.4101.2176.4-170.80000109.7W160 I161 I192W160-C190 WeakPolarHBondContact CA-O 3.38Å; W160-C190 VanDerWaalsContact CD1-SG 3.59Å; W160-C190 HydrophobicContact CG-CB 4.28Å; I161-C190 PolarHBondContact N-O 3.35Å; C190-I192 VanDerWaalsContact SG-CD1 3.57Å
191T98.1Very high90.3Very high1 Ų145.6 Ų45.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-115.4122176.9-48.20000108.8I161 T163 L178 I189 H232 S233 H234I161-T191 HydrophobicContact CB-CG2 4.1Å; I161-T191 HydrophobicContact CG2-CG2 4.19Å; I161-T191 WeakPolarHBondContact O-CA 3.36Å; T163-T191 HydrophobicContact CG2-CG2 4.27Å; L178-T191 HydrophobicContact CD1-CG2 3.86Å; I189-T191 PolarHBondContact O-N 3.27Å; I189-T191 VanDerWaalsContact O-N 3.1Å; T191-H232 WeakPolarHBondContact CG2-CD2 3.36Å; T191-H232 WeakPolarHBondContact CG2-NE2 3.42Å; T191-S233 PolarHBondContact N-OG 3.35Å; T191-S233 PolarHBondContact O-N 3.32Å; T191-S233 PolarHBondContact O-OG 2.98Å; T191-H234 PolarHBondContact O-N 2.8Å
192I98.8Very high90.4Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-117.5120.1-174.6-63.3136000109.1M114 L120 W160 I161 F162 T163 C190 I194 H234 I236M114-I192 HydrophobicContact CE-CD1 3.3Å; M114-I192 HydrophobicContact CE-CG1 4.11Å; M114-I192 HydrophobicContact CE-CG2 4.47Å; L120-I192 HydrophobicContact CD1-CD1 4.42Å; W160-I192 HydrophobicContact CB-CD1 4.32Å; W160-I192 HydrophobicContact CD2-CD1 4.03Å; W160-I192 HydrophobicContact CE3-CD1 4.11Å; W160-I192 HydrophobicContact CG-CD1 4.15Å; I161-I192 PolarHBondContact O-N 3.29Å; F162-I192 WeakPolarHBondContact CA-O 3.47Å; F162-I192 HydrophobicContact CD1-CB 3.99Å; F162-I192 HydrophobicContact CD1-CD1 4.19Å; F162-I192 HydrophobicContact CD1-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CB 4.06Å; F162-I192 HydrophobicContact CE1-CD1 3.7Å; F162-I192 HydrophobicContact CE1-CG1 4.5Å; F162-I192 HydrophobicContact CE1-CG2 4.28Å; T163-I192 PolarHBondContact N-O 2.95Å; T163-I192 VanDerWaalsContact N-O 3.09Å; C190-I192 VanDerWaalsContact SG-CD1 3.57Å; I192-I194 HydrophobicContact CG2-CG1 4.31Å; I192-H234 WeakPolarHBondContact CA-O 3.35Å; I192-H234 HydrophobicContact CB-CB 4.35Å; I192-H234 HydrophobicContact CG1-CB 3.68Å; I192-H234 HydrophobicContact CG2-CB 4.37Å; I192-I236 HydrophobicContact CG2-CD1 4.34Å; I192-I236 HydrophobicContact CG2-CG1 4.48Å
193G98.8Very high90.9Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-91.5121.1176.300000110.3G165 H232 H234 F235 I236G165-G193 VanDerWaalsContact CA-CA 3.49Å; G193-H232 PolarHBondContact N-CD2 2.7Å; G193-H234 PolarHBondContact N-O 2.89Å; G193-F235 CarbonylContact O-C 3.5Å; G193-F235 VanDerWaalsContact O-CA 3.3Å; G193-F235 WeakPolarHBondContact O-CA 3.43Å; G193-I236 PolarHBondContact O-N 3.2Å
194I98.8Very high91.6Very high1 Ų145.7 Ų45.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-108.7103.9173.6-47.9177.4000107.2F162 T163 G164 I192 I236 E249 R253 L256F162-I194 HydrophobicContact CD2-CD1 3.62Å; F162-I194 HydrophobicContact CE2-CD1 3.7Å; F162-I194 HydrophobicContact CG-CD1 4.19Å; F162-I194 HydrophobicContact CZ-CD1 4.34Å; T163-I194 PolarHBondContact O-N 2.83Å; G164-I194 CarbonylContact C-O 3.6Å; G164-I194 WeakPolarHBondContact CA-O 3.26Å; I192-I194 HydrophobicContact CG2-CG1 4.31Å; I194-I236 WeakPolarHBondContact CA-O 3.35Å; I194-I236 HydrophobicContact CG1-CB 4.45Å; I194-I236 HydrophobicContact CG2-CB 4.39Å; I194-I236 HydrophobicContact CG2-CG2 4.48Å; I194-E249 HydrophobicContact CG2-CB 4.05Å; I194-R253 HydrophobicContact CD1-CB 4.07Å; I194-R253 HydrophobicContact CD1-CG 3.98Å; I194-R253 HydrophobicContact CG2-CB 4.41Å; I194-L256 HydrophobicContact CD1-CD2 4.17Å
195A98.4Very high92.3Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-125.3149.2-171.100000110.9G164 V166 W197 I236 L237 A238G164-A195 VanDerWaalsContact O-CB 3.31Å; G164-A195 WeakPolarHBondContact O-CB 3.33Å; V166-A195 HydrophobicContact CG1-CB 4.05Å; A195-W197 PolarHBondContact O-N 3.13Å; A195-I236 PolarHBondContact N-O 2.81Å; A195-I236 VanDerWaalsContact N-O 3.08Å; A195-L237 HydrophobicContact CB-CD2 4.06Å; A195-L237 CarbonylContact O-C 3.57Å; A195-L237 VanDerWaalsContact O-CA 3.29Å; A195-L237 WeakPolarHBondContact O-CA 3.37Å; A195-A238 PolarHBondContact O-N 3.06Å
196P98.3Very high93.3Very high3 Ų339.9 Ų39.92%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-62.8130.4166.2-311000110.5G198 I199 A238 Y246 A248 E249P196-G198 VanDerWaalsContact C-N 3.29Å; P196-G198 PolarHBondContact O-N 3.03Å; P196-I199 HydrophobicContact CB-CG1 4.02Å; P196-I199 HydrophobicContact CB-CG2 4.3Å; P196-I199 HydrophobicContact CG-CD1 3.75Å; P196-I199 HydrophobicContact CG-CG1 3.79Å; P196-I199 HydrophobicContact CG-CG2 4.26Å; P196-I199 VanDerWaalsContact O-CG1 3.25Å; P196-I199 WeakPolarHBondContact O-CG1 3.39Å; P196-I199 PolarHBondContact O-N 3.21Å; P196-A238 CarbonylContact C-O 3.55Å; P196-A238 VanDerWaalsContact CA-O 3.3Å; P196-A238 WeakPolarHBondContact CA-O 3.38Å; P196-Y246 HydrophobicContact CG-CD1 4.22Å; P196-A248 HydrophobicContact CB-CB 4.14Å; P196-E249 WeakPolarHBondContact CG-OE2 3.06Å
197W98.4Very high94.7Very high2 Ų230.3 Ų30.31%0.00816%0.157CC..G310 helixtrans-53.8-48.9173.5173.5-101000111A81 R100 A195 I199 V200 Q203 L206 I207 L237 A238 D239A81-W197 HydrophobicContact CB-CH2 3.89Å; A81-W197 HydrophobicContact CB-CZ3 4.18Å; R100-W197 HydrophobicContact CB-CE3 4.08Å; R100-W197 HydrophobicContact CB-CZ3 4.25Å; R100-W197 HydrophobicContact CG-CD2 3.93Å; R100-W197 HydrophobicContact CG-CE3 3.91Å; R100-W197 HydrophobicContact CG-CG 4.22Å; R100-W197 HydrophobicContact CG-CZ3 4.42Å; R100-W197 VanDerWaalsContact CZ-NE1 3.33Å; A195-W197 PolarHBondContact O-N 3.13Å; W197-I199 PolarHBondContact O-N 3.4Å; W197-V200 WeakPolarHBondContact O-CB 3.35Å; W197-V200 PolarHBondContact O-N 3.47Å; W197-Q203 HydrophobicContact CD2-CB 4.28Å; W197-Q203 HydrophobicContact CH2-CB 3.96Å; W197-Q203 WeakPolarHBondContact CH2-O 3.44Å; W197-Q203 HydrophobicContact CZ2-CB 3.64Å; W197-Q203 HydrophobicContact CZ2-CG 4.03Å; W197-Q203 WeakPolarHBondContact CZ2-O 3.45Å; W197-Q203 HydrophobicContact CZ3-CB 4.37Å; W197-Q203 VanDerWaalsContact NE1-CD 3.26Å; W197-Q203 PolarHBondContact O-OE1 3.39Å; W197-L206 HydrophobicContact CH2-CB 3.94Å; W197-L206 HydrophobicContact CZ3-CB 4.12Å; W197-L206 HydrophobicContact CZ3-CD1 4.36Å; W197-I207 HydrophobicContact CH2-CG1 4.47Å; W197-I207 HydrophobicContact CZ2-CG1 4.34Å; W197-L237 HydrophobicContact CB-CB 4.39Å; W197-L237 HydrophobicContact CE3-CB 3.85Å; W197-L237 HydrophobicContact CE3-CD1 3.55Å; W197-L237 HydrophobicContact CE3-CG 4.32Å; W197-L237 HydrophobicContact CZ3-CD1 3.61Å; W197-A238 PolarHBondContact N-O 2.83Å; W197-D239 HydrophobicContact CB-CB 4.01Å
198G97Very high95.9Very high1 Ų129.1 Ų29.11%0.0114%0.144CC..G310 helixtrans-65.3-8.4-172.900000116.8P196 T242 T243 G244P196-G198 VanDerWaalsContact C-N 3.29Å; P196-G198 PolarHBondContact O-N 3.03Å; G198-T242 WeakPolarHBondContact CA-O 3.31Å; G198-T243 CarbonylContact O-C 3.58Å; G198-G244 PolarHBondContact O-N 3.06Å
199I96.6Very high96.5Very high4 Ų426.4 Ų26.42%0.02113%0.128CC..G310 helixtrans-101.5-5.7174.668.9162.4000112.9V166 P196 W197 E201 L225 T226 K245 Y246V166-I199 HydrophobicContact CG1-CD1 3.81Å; V166-I199 HydrophobicContact CG1-CG1 4.34Å; V166-I199 HydrophobicContact CG2-CD1 4.39Å; P196-I199 HydrophobicContact CB-CG1 4.02Å; P196-I199 HydrophobicContact CB-CG2 4.3Å; P196-I199 HydrophobicContact CG-CD1 3.75Å; P196-I199 HydrophobicContact CG-CG1 3.79Å; P196-I199 HydrophobicContact CG-CG2 4.26Å; P196-I199 VanDerWaalsContact O-CG1 3.25Å; P196-I199 WeakPolarHBondContact O-CG1 3.39Å; P196-I199 PolarHBondContact O-N 3.21Å; W197-I199 PolarHBondContact O-N 3.4Å; I199-E201 PolarHBondContact O-N 3.45Å; I199-L225 WeakPolarHBondContact O-CA 3.41Å; I199-L225 WeakPolarHBondContact O-CB 3.32Å; I199-T226 PolarHBondContact O-N 3.05Å; I199-T226 PolarHBondContact O-OG1 3.47Å; I199-K245 WeakPolarHBondContact CG2-O 3.5Å; I199-Y246 HydrophobicContact CD1-CD1 3.83Å; I199-Y246 HydrophobicContact CD1-CE1 3.25Å; I199-Y246 HydrophobicContact CD1-CE2 4.21Å; I199-Y246 VanDerWaalsContact CD1-CZ 3.45Å; I199-Y246 HydrophobicContact CG2-CD2 4.22Å; I199-Y246 HydrophobicContact CG2-CE2 4.19Å
200V97.1Very high96.6Very high0 Ų028.5 Ų28.50%014%0.14CC..BIsolated β-bridgetrans-76120.6-176.7177.90000109W197 Q203 L206 Y215 T226 L228 L237W197-V200 WeakPolarHBondContact O-CB 3.35Å; W197-V200 PolarHBondContact O-N 3.47Å; V200-Q203 HydrophobicContact CB-CB 4.16Å; V200-Q203 HydrophobicContact CG1-CB 4.33Å; V200-Q203 WeakPolarHBondContact O-CB 3.2Å; V200-Q203 PolarHBondContact O-N 3.37Å; V200-L206 HydrophobicContact CG1-CD1 4.26Å; V200-Y215 HydrophobicContact CG1-CE2 4.27Å; V200-T226 WeakPolarHBondContact CA-O 3.22Å; V200-L228 HydrophobicContact CG1-CD1 4.25Å; V200-L228 HydrophobicContact CG1-CD2 4.25Å; V200-L228 HydrophobicContact CG1-CG 3.94Å; V200-L228 HydrophobicContact CG2-CD2 3.84Å; V200-L228 HydrophobicContact CG2-CG 4.44Å; V200-L237 HydrophobicContact CG2-CD2 4.23Å
201E95.2Very high96.6Very high17 Ų1730 Ų308%0.07915%0.148CC..THydrogen-bonded Turntrans-60.4139.5171.7-170.173.8-127.800109.5I199 Q203 Y215 S223 L225 T226 V227I199-E201 PolarHBondContact O-N 3.45Å; E201-Q203 PolarHBondContact O-N 3.38Å; E201-Y215 WeakPolarHBondContact O-CE2 3.41Å; E201-Y215 PolarHBondContact O-OH 3.16Å; E201-S223 PolarHBondContact OE1-OG 3.34Å; E201-S223 WeakPolarHBondContact OE2-CB 3.3Å; E201-S223 PolarHBondContact OE2-OG 3.43Å; E201-L225 HydrophobicContact CB-CB 4.2Å; E201-L225 WeakPolarHBondContact OE2-CB 3.45Å; E201-T226 PolarHBondContact N-O 3.48Å; E201-V227 HydrophobicContact CB-CG1 3.94Å; E201-V227 HydrophobicContact CG-CG1 4.27Å
202N93.5Very high96.5Very high58 Ų5833.7 Ų33.731%0.3117%0.17SC..THydrogen-bonded Turntrans53.332.6-179.7-58.4-26.3000114.1E204 D205 Y215N202-E204 PolarHBondContact O-N 3.36Å; N202-E204 VanDerWaalsContact O-N 3.11Å; N202-D205 WeakPolarHBondContact O-CB 2.92Å; N202-D205 PolarHBondContact O-N 2.95Å; N202-D205 VanDerWaalsContact O-N 3.1Å; N202-Y215 HydrophobicContact CB-CE2 4.31Å
203Q94.6Very high96.4Very high14 Ų1438 Ų387%0.06519%0.187CC..G310 helixtrans-54.6-29.7178.56517438.300113.4W197 V200 E201 D205 L206W197-Q203 HydrophobicContact CD2-CB 4.28Å; W197-Q203 HydrophobicContact CH2-CB 3.96Å; W197-Q203 WeakPolarHBondContact CH2-O 3.44Å; W197-Q203 HydrophobicContact CZ2-CB 3.64Å; W197-Q203 HydrophobicContact CZ2-CG 4.03Å; W197-Q203 WeakPolarHBondContact CZ2-O 3.45Å; W197-Q203 HydrophobicContact CZ3-CB 4.37Å; W197-Q203 VanDerWaalsContact NE1-CD 3.26Å; W197-Q203 PolarHBondContact O-OE1 3.39Å; V200-Q203 HydrophobicContact CB-CB 4.16Å; V200-Q203 HydrophobicContact CG1-CB 4.33Å; V200-Q203 WeakPolarHBondContact O-CB 3.2Å; V200-Q203 PolarHBondContact O-N 3.37Å; E201-Q203 PolarHBondContact O-N 3.38Å; Q203-D205 PolarHBondContact O-N 2.84Å; Q203-L206 WeakPolarHBondContact O-CB 3.46Å; Q203-L206 PolarHBondContact O-N 2.58Å
204E93.4Very high96.2Very high112 Ų11240.9 Ų40.952%0.52321%0.205SC..G310 helixtrans-64.6-29.9-179.1-56.4-57.3140.900111.8N202 L206 I207N202-E204 PolarHBondContact O-N 3.36Å; N202-E204 VanDerWaalsContact O-N 3.11Å; E204-L206 PolarHBondContact O-N 2.7Å; E204-I207 WeakPolarHBondContact O-CB 3.34Å; E204-I207 PolarHBondContact O-N 3.23Å; E204-I207 VanDerWaalsContact O-N 3.1Å; E204-I207 WeakPolarHBondContact OE2-CD1 3.26Å
205D94.5Very high96Very high88 Ų8840.9 Ų40.947%0.47121%0.205SC..G310 helixtrans-67.6-19.9176-63.4-19.9000112.2N202 Q203 I207 R213N202-D205 WeakPolarHBondContact O-CB 2.92Å; N202-D205 PolarHBondContact O-N 2.95Å; N202-D205 VanDerWaalsContact O-N 3.1Å; Q203-D205 PolarHBondContact O-N 2.84Å; D205-I207 VanDerWaalsContact C-N 3.34Å; D205-R213 WeakPolarHBondContact O-CB 3.21Å; D205-R213 WeakPolarHBondContact O-CD 3.24Å; D205-R213 VanDerWaalsContact O-CG 3.28Å; D205-R213 WeakPolarHBondContact O-CG 3.36Å
206L97.1Very high95.6Very high0 Ų044.5 Ų44.50%022%0.222CC..G310 helixtrans-87.3-1.6176.9-58.1179.4000112.8A81 I85 Y98 W197 V200 Q203 E204 G208 R213 Y215 L228 L237A81-L206 WeakPolarHBondContact CB-O 3.36Å; I85-L206 HydrophobicContact CD1-CD1 4.17Å; I85-L206 HydrophobicContact CD1-CD2 3.98Å; I85-L206 HydrophobicContact CG1-CD2 4Å; I85-L206 HydrophobicContact CG2-CD2 4.42Å; Y98-L206 HydrophobicContact CE2-CB 3.89Å; Y98-L206 WeakPolarHBondContact CE2-O 3.23Å; Y98-L206 PolarHBondContact OH-O 2.98Å; W197-L206 HydrophobicContact CH2-CB 3.94Å; W197-L206 HydrophobicContact CZ3-CB 4.12Å; W197-L206 HydrophobicContact CZ3-CD1 4.36Å; V200-L206 HydrophobicContact CG1-CD1 4.26Å; Q203-L206 WeakPolarHBondContact O-CB 3.46Å; Q203-L206 PolarHBondContact O-N 2.58Å; E204-L206 PolarHBondContact O-N 2.7Å; L206-G208 PolarHBondContact O-N 3.23Å; L206-R213 HydrophobicContact CD2-CB 4.17Å; L206-Y215 HydrophobicContact CD1-CD2 4.19Å; L206-Y215 HydrophobicContact CD1-CE2 4.2Å; L206-Y215 HydrophobicContact CD2-CD2 3.76Å; L206-Y215 HydrophobicContact CD2-CG 4.23Å; L206-Y215 HydrophobicContact CG-CD2 4Å; L206-Y215 HydrophobicContact CG-CE2 4.37Å; L206-L228 HydrophobicContact CD1-CD1 4.1Å; L206-L237 HydrophobicContact CD1-CD1 4.21Å
207I97.3Very high95Very high47 Ų4745.9 Ų45.924%0.24123%0.23CC..  trans-72.1125.1174.2-63.9177.2000109D80 W197 E204 D205 R213D80-I207 HydrophobicContact CB-CG2 4.47Å; W197-I207 HydrophobicContact CH2-CG1 4.47Å; W197-I207 HydrophobicContact CZ2-CG1 4.34Å; E204-I207 WeakPolarHBondContact O-CB 3.34Å; E204-I207 PolarHBondContact O-N 3.23Å; E204-I207 VanDerWaalsContact O-N 3.1Å; E204-I207 WeakPolarHBondContact OE2-CD1 3.26Å; D205-I207 VanDerWaalsContact C-N 3.34Å; I207-R213 PolarHBondContact O-NE 3.01Å; I207-R213 PolarHBondContact O-NH2 3.31Å
208G96.3Very high94.3Very high9 Ų951.4 Ų51.49%0.09326%0.258CS..EExtended strand (participates in β ladder)trans164.6147.2-17700000110.6D80 A81 F82 L206D80-G208 CarbonylContact C-O 3.58Å; D80-G208 CarbonylContact O-C 3.59Å; D80-G208 WeakPolarHBondContact O-CA 3.13Å; D80-G208 PolarHBondContact O-N 2.98Å; A81-G208 WeakPolarHBondContact CA-O 3.15Å; F82-G208 PolarHBondContact N-O 3.23Å; L206-G208 PolarHBondContact O-N 3.23Å
209R95.8Very high93.3Very high153 Ų15355.8 Ų55.858%0.57729%0.288SS*.EExtended strand (participates in β ladder)trans-105.4109.4-177.9-61.9179.3-179.2122.51.5109.8E9 F82 V211E9-R209 VanDerWaalsContact OE1-CD 3.3Å; E9-R209 WeakPolarHBondContact OE1-CD 3.17Å; F82-R209 HydrophobicContact CE1-CB 3.79Å; F82-R209 HydrophobicContact CE1-CG 3.85Å; F82-R209 HydrophobicContact CZ-CB 3.85Å; F82-R209 HydrophobicContact CZ-CG 4.38Å; R209-V211 VanDerWaalsContact C-N 3.3Å; R209-V211 PolarHBondContact O-N 3.12Å
210D94.1Very high92.6Very high66 Ų6659.4 Ų59.435%0.35331%0.308SS..EExtended strand (participates in β ladder)trans54.842.9-179-16437.8000113.6K5 F82K5-D210 VanDerWaalsContact CD-OD2 3.23Å; K5-D210 WeakPolarHBondContact CD-OD2 3.37Å; K5-D210 VanDerWaalsContact CE-OD2 3.26Å; K5-D210 WeakPolarHBondContact CE-OD2 3.11Å; K5-D210 IonicContact NZ-OD2 3.09Å; K5-D210 PolarHBondContact NZ-OD2 3.34Å; F82-D210 HydrophobicContact CD2-CB 4.37Å; F82-D210 HydrophobicContact CE2-CB 3.75Å; F82-D210 HydrophobicContact CZ-CB 4.42Å; F82-D210 WeakPolarHBondContact O-CA 3.27Å; F82-D210 PolarHBondContact O-N 2.92Å
211V95.6Very high91.8Very high55 Ų5565.3 Ų65.333%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-118158.1-179.7-680000111.5T84 R209 R213T84-V211 PolarHBondContact N-O 2.99Å; R209-V211 VanDerWaalsContact C-N 3.3Å; R209-V211 PolarHBondContact O-N 3.12Å; V211-R213 HydrophobicContact CG2-CG 4.02Å
212V97.1Very high91.3Very high77 Ų7772.5 Ų72.547%0.46738%0.382SS..EExtended strand (participates in β ladder)trans-82.5121.7167.3-174.40000108T84 E86T84-V212 CarbonylContact O-C 3.58Å; T84-V212 VanDerWaalsContact O-CA 3.24Å; T84-V212 WeakPolarHBondContact O-CA 3.49Å; E86-V212 HydrophobicContact CB-CG1 3.88Å
213R96.2Very high90.9Very high92 Ų9271.3 Ų71.335%0.34738%0.378SS..EExtended strand (participates in β ladder)trans-110.9123.6176.4-70.3-56.9-166-172.7-0.3110.7T84 I85 E86 D205 L206 I207 V211T84-R213 PolarHBondContact O-N 3.33Å; I85-R213 WeakPolarHBondContact CA-O 3.34Å; E86-R213 PolarHBondContact N-O 3.15Å; D205-R213 WeakPolarHBondContact O-CB 3.21Å; D205-R213 WeakPolarHBondContact O-CD 3.24Å; D205-R213 VanDerWaalsContact O-CG 3.28Å; D205-R213 WeakPolarHBondContact O-CG 3.36Å; L206-R213 HydrophobicContact CD2-CB 4.17Å; I207-R213 PolarHBondContact O-NE 3.01Å; I207-R213 PolarHBondContact O-NH2 3.31Å; V211-R213 HydrophobicContact CG2-CG 4.02Å
214P94.8Very high90.6Very high60 Ų6080.3 Ų80.339%0.3942%0.417SS..EExtended strand (participates in β ladder)trans-65.8138169.228.8-32.6000109.4E86 Q88E86-P214 CarbonylContact O-C 3.44Å; E86-P214 WeakPolarHBondContact O-CA 3.21Å; Q88-P214 HydrophobicContact CG-CB 4.22Å
215Y94.6Very high90.6Very high1 Ų177.3 Ų77.30%0.00440%0.404CS..EExtended strand (participates in β ladder)trans-136.7123.1179-175.4-100.7000111.5I85 E86 F87 Q88 V200 E201 N202 L206 T217 V227 L228I85-Y215 HydrophobicContact CG2-CD1 4.45Å; I85-Y215 HydrophobicContact CG2-CG 4.11Å; E86-Y215 PolarHBondContact O-N 3.42Å; F87-Y215 WeakPolarHBondContact CA-O 3.41Å; F87-Y215 AromaticContact CD1-CD1 3.81Å; F87-Y215 HydrophobicContact CD1-CD1 3.81Å; F87-Y215 AromaticContact CE1-CD1 3.62Å; F87-Y215 HydrophobicContact CE1-CD1 3.62Å; F87-Y215 HydrophobicContact CE1-CE1 4.19Å; Q88-Y215 PolarHBondContact N-O 3.39Å; V200-Y215 HydrophobicContact CG1-CE2 4.27Å; E201-Y215 WeakPolarHBondContact O-CE2 3.41Å; E201-Y215 PolarHBondContact O-OH 3.16Å; N202-Y215 HydrophobicContact CB-CE2 4.31Å; L206-Y215 HydrophobicContact CD1-CD2 4.19Å; L206-Y215 HydrophobicContact CD1-CE2 4.2Å; L206-Y215 HydrophobicContact CD2-CD2 3.76Å; L206-Y215 HydrophobicContact CD2-CG 4.23Å; L206-Y215 HydrophobicContact CG-CD2 4Å; L206-Y215 HydrophobicContact CG-CE2 4.37Å; Y215-T217 HydrophobicContact CD1-CG2 4.4Å; Y215-V227 HydrophobicContact CE1-CB 4.45Å; Y215-V227 WeakPolarHBondContact OH-CA 3.29Å; Y215-L228 HydrophobicContact CE1-CB 3.85Å; Y215-L228 HydrophobicContact CE1-CD1 4.41Å; Y215-L228 HydrophobicContact CE1-CG 4.18Å; Y215-L228 PolarHBondContact OH-N 3.29Å
216Q90.2Very high90.6Very high75 Ų7574 Ų7435%0.3539%0.387SS..EExtended strand (participates in β ladder)trans-89.6131-177.9-174.9167.347.200111.3M218Q216-M218 VanDerWaalsContact C-N 3.34Å; Q216-M218 VanDerWaalsContact CD-CE 3.49Å; Q216-M218 HydrophobicContact CG-CB 3.95Å; Q216-M218 HydrophobicContact CG-CE 4.38Å; Q216-M218 HydrophobicContact CG-CG 3.76Å
217T86.3Confident90.5Very high32 Ų3274.5 Ų74.520%0.19639%0.39CS..  trans-9518.3179.363.30000113.8F87 Q88 Y215 S219F87-T217 HydrophobicContact CD1-CG2 3.55Å; F87-T217 HydrophobicContact CE1-CG2 4.11Å; Q88-T217 PolarHBondContact O-N 3.18Å; Y215-T217 HydrophobicContact CD1-CG2 4.4Å; T217-S219 PolarHBondContact O-N 3.23Å
218M82.8Confident90.5Very high119 Ų11972.2 Ų72.259%0.58638%0.378SS*.  trans-79.9115.7175.8-61-160-48.300108.9Q216Q216-M218 VanDerWaalsContact C-N 3.34Å; Q216-M218 VanDerWaalsContact CD-CE 3.49Å; Q216-M218 HydrophobicContact CG-CB 3.95Å; Q216-M218 HydrophobicContact CG-CE 4.38Å; Q216-M218 HydrophobicContact CG-CG 3.76Å
219S76.6Confident90.5Very high92 Ų9272 Ų7264%0.64338%0.375SS*.  trans-67.9131.6174.254.90000110.3T217 P221T217-S219 PolarHBondContact O-N 3.23Å; S219-P221 WeakPolarHBondContact O-CD 3.26Å
220N81.6Confident90.4Very high80 Ų8066.3 Ų66.343%0.42836%0.358SS..  trans-82.5116.3169.2178-2.8000109.4M222 S223N220-M222 PolarHBondContact O-N 2.99Å; N220-M222 WeakPolarHBondContact OD1-CB 3.23Å; N220-M222 PolarHBondContact OD1-N 3Å; N220-S223 WeakPolarHBondContact O-CB 3.29Å; N220-S223 PolarHBondContact O-N 2.94Å
221P80.9Confident90.5Very high125 Ų12565 Ų6581%0.81235%0.351SS*.THydrogen-bonded Turntrans-59.5-22.1-179.1-23.434.1000114.4S219S219-P221 WeakPolarHBondContact O-CD 3.26Å
222M83.6Confident90.5Very high168 Ų16862.6 Ų62.683%0.82834%0.336SS*.THydrogen-bonded Turntrans-89.2-12.7178.9-61-59-64.600113N220N220-M222 PolarHBondContact O-N 2.99Å; N220-M222 WeakPolarHBondContact OD1-CB 3.23Å; N220-M222 PolarHBondContact OD1-N 3Å
223S85.9Confident90.5Very high32 Ų3260.3 Ų60.322%0.22432%0.323CS..  trans-87147-180-175.90000111.3E201 N220 L225E201-S223 PolarHBondContact OE1-OG 3.34Å; E201-S223 WeakPolarHBondContact OE2-CB 3.3Å; E201-S223 PolarHBondContact OE2-OG 3.43Å; N220-S223 WeakPolarHBondContact O-CB 3.29Å; N220-S223 PolarHBondContact O-N 2.94Å; S223-L225 WeakPolarHBondContact OG-CB 3.3Å; S223-L225 PolarHBondContact OG-N 3.4Å; S223-L225 VanDerWaalsContact OG-N 3.07Å
224K86.9Confident90.6Very high204 Ų20456.9 Ų56.989%0.88731%0.311SS*.SBendtrans-95.80.1171-62.6-177.9-178.9178.50112.2
225L93.4Very high90.8Very high48 Ų4854 Ų5425%0.25129%0.292SS..  trans-86172.6176.5-51.1178.5000109.8I199 E201 S223I199-L225 WeakPolarHBondContact O-CA 3.41Å; I199-L225 WeakPolarHBondContact O-CB 3.32Å; E201-L225 HydrophobicContact CB-CB 4.2Å; E201-L225 WeakPolarHBondContact OE2-CB 3.45Å; S223-L225 WeakPolarHBondContact OG-CB 3.3Å; S223-L225 PolarHBondContact OG-N 3.4Å; S223-L225 VanDerWaalsContact OG-N 3.07Å
226T94.7Very high91Very high19 Ų1954 Ų5412%0.11729%0.292CS..BIsolated β-bridgetrans-132.5143.6-175.355.80000110.9V166 T168 I199 V200 E201V166-T226 WeakPolarHBondContact CB-OG1 3.31Å; V166-T226 WeakPolarHBondContact CG1-OG1 3.37Å; T168-T226 HydrophobicContact CG2-CG2 3.72Å; I199-T226 PolarHBondContact O-N 3.05Å; I199-T226 PolarHBondContact O-OG1 3.47Å; V200-T226 WeakPolarHBondContact CA-O 3.22Å; E201-T226 PolarHBondContact N-O 3.48Å
227V95.6Very high91.4Very high10 Ų1050.4 Ų50.46%0.06128%0.276CS..PPolyproline II helixtrans-79148.7176.7-61.40000110.7N167 E201 Y215N167-V227 HydrophobicContact CB-CG2 3.9Å; N167-V227 WeakPolarHBondContact CB-O 3.39Å; N167-V227 PolarHBondContact N-O 3.48Å; E201-V227 HydrophobicContact CB-CG1 3.94Å; E201-V227 HydrophobicContact CG-CG1 4.27Å; Y215-V227 HydrophobicContact CE1-CB 4.45Å; Y215-V227 WeakPolarHBondContact OH-CA 3.29Å
228L97.1Very high92Very high0 Ų048.9 Ų48.90%027%0.266CS..BIsolated β-bridgetrans-64.4148.8169.3-62176.5000111.2I85 F87 V166 V200 L206 Y215 F235 L237I85-L228 HydrophobicContact CD1-CD1 3.61Å; F87-L228 HydrophobicContact CE1-CB 4.11Å; F87-L228 HydrophobicContact CZ-CB 4.32Å; V166-L228 HydrophobicContact CG1-CD2 4.43Å; V200-L228 HydrophobicContact CG1-CD1 4.25Å; V200-L228 HydrophobicContact CG1-CD2 4.25Å; V200-L228 HydrophobicContact CG1-CG 3.94Å; V200-L228 HydrophobicContact CG2-CD2 3.84Å; V200-L228 HydrophobicContact CG2-CG 4.44Å; L206-L228 HydrophobicContact CD1-CD1 4.1Å; Y215-L228 HydrophobicContact CE1-CB 3.85Å; Y215-L228 HydrophobicContact CE1-CD1 4.41Å; Y215-L228 HydrophobicContact CE1-CG 4.18Å; Y215-L228 PolarHBondContact OH-N 3.29Å; L228-F235 HydrophobicContact CB-CE1 4.02Å; L228-F235 HydrophobicContact CB-CZ 3.91Å; L228-F235 HydrophobicContact CD1-CD1 4.36Å; L228-F235 HydrophobicContact CD1-CE1 4.38Å; L228-F235 HydrophobicContact CD1-CG 4.4Å; L228-F235 HydrophobicContact CD1-CZ 4.45Å; L228-F235 HydrophobicContact CD2-CD1 3.95Å; L228-F235 HydrophobicContact CD2-CE1 3.83Å; L228-F235 HydrophobicContact CG-CE1 4.29Å; L228-L237 HydrophobicContact CD2-CD2 4.08Å
229N96Very high92.8Very high5 Ų543.3 Ų43.33%0.02724%0.239CC..PPolyproline II helixtrans-81119.3176.8-173.6-64.2000111G165 N167 I171 M231 H232 F235G165-N229 WeakPolarHBondContact O-CB 3.16Å; G165-N229 PolarHBondContact O-N 2.86Å; N167-N229 HydrophobicContact CB-CB 4.07Å; N167-N229 PolarHBondContact OD1-ND2 3.02Å; I171-N229 HydrophobicContact CG2-CB 4.01Å; N229-M231 PolarHBondContact O-N 3.3Å; N229-M231 VanDerWaalsContact O-N 3.08Å; N229-M231 WeakPolarHBondContact OD1-CB 3.42Å; N229-M231 PolarHBondContact OD1-N 3.3Å; N229-H232 PolarHBondContact O-N 3.26Å; N229-H232 PolarHBondContact OD1-ND1 3.22Å; N229-F235 WeakPolarHBondContact O-CZ 3.47Å
230S95.1Very high93.8Very high32 Ų3239.5 Ų39.522%0.22421%0.211CC..THydrogen-bonded Turntrans-71.3-1.9-174.454.50000115.7N94N94-S230 VanDerWaalsContact CB-O 3.28Å; N94-S230 WeakPolarHBondContact CB-O 3.49Å; N94-S230 PolarHBondContact ND2-O 3.06Å
231M94.9Very high94.5Very high40 Ų4035.7 Ų35.720%0.19719%0.191CC..THydrogen-bonded Turntrans-94.4-5.2176.7-58.4-54.3-45.700113.2N94 G175 L178 K179 A182 N229N94-M231 PolarHBondContact ND2-SD 3.11Å; N94-M231 VanDerWaalsContact ND2-SD 3.36Å; G175-M231 WeakPolarHBondContact O-CG 3.45Å; L178-M231 HydrophobicContact CB-CB 3.93Å; L178-M231 HydrophobicContact CB-CE 4.42Å; L178-M231 HydrophobicContact CD1-CB 4.18Å; K179-M231 HydrophobicContact CB-CE 3.98Å; K179-M231 HydrophobicContact CB-CG 4.14Å; K179-M231 HydrophobicContact CB-SD 3.88Å; K179-M231 HydrophobicContact CG-SD 4.17Å; A182-M231 HydrophobicContact CB-CE 4.39Å; N229-M231 PolarHBondContact O-N 3.3Å; N229-M231 VanDerWaalsContact O-N 3.08Å; N229-M231 WeakPolarHBondContact OD1-CB 3.42Å; N229-M231 PolarHBondContact OD1-N 3.3Å
232H96.9Very high95.3Very high4 Ų430 Ų302%0.01915%0.154CC..  trans-79146.6173.7-73.558.8000111.3A96 T163 T191 G193 N229 F235A96-H232 WeakPolarHBondContact CB-O 3.49Å; T163-H232 PolarHBondContact OG1-NE2 2.94Å; T191-H232 WeakPolarHBondContact CG2-CD2 3.36Å; T191-H232 WeakPolarHBondContact CG2-NE2 3.42Å; G193-H232 PolarHBondContact N-CD2 2.7Å; N229-H232 PolarHBondContact O-N 3.26Å; N229-H232 PolarHBondContact OD1-ND1 3.22Å; H232-F235 HydrophobicContact CB-CE1 3.98Å; H232-F235 HydrophobicContact CB-CE2 3.82Å; H232-F235 HydrophobicContact CB-CZ 3.43Å; H232-F235 VanDerWaalsContact CB-CZ 3.43Å
233S96.6Very high95.8Very high28 Ų2823.6 Ų23.620%0.19612%0.124CC..SBendtrans-92-24.7-178.860.40000113.3A96 M97 T191A96-S233 WeakPolarHBondContact CA-O 3.48Å; A96-S233 WeakPolarHBondContact CB-O 3.34Å; M97-S233 PolarHBondContact N-O 3.49Å; M97-S233 VanDerWaalsContact N-O 3.11Å; T191-S233 PolarHBondContact N-OG 3.35Å; T191-S233 PolarHBondContact O-N 3.32Å; T191-S233 PolarHBondContact O-OG 2.98Å
234H98.7Very high96.2Very high20 Ų2024 Ų249%0.09313%0.134CC..EExtended strand (participates in β ladder)trans-147.6149.7-173-64.179.9000110.7M97 W118 T191 I192 G193M97-H234 CarbonylContact O-C 3.49Å; M97-H234 WeakPolarHBondContact O-CA 3.39Å; W118-H234 AromaticContact CD2-CD2 3.53Å; W118-H234 HydrophobicContact CE3-CB 4.21Å; W118-H234 AromaticContact CE3-CD2 3.3Å; W118-H234 AromaticContact CE3-CG 3.98Å; W118-H234 AromaticContact CG-CD2 3.97Å; W118-H234 HydrophobicContact CH2-CB 4.24Å; W118-H234 HydrophobicContact CZ3-CB 3.81Å; W118-H234 AromaticContact CZ3-CD2 3.8Å; T191-H234 PolarHBondContact O-N 2.8Å; I192-H234 WeakPolarHBondContact CA-O 3.35Å; I192-H234 HydrophobicContact CB-CB 4.35Å; I192-H234 HydrophobicContact CG1-CB 3.68Å; I192-H234 HydrophobicContact CG2-CB 4.37Å; G193-H234 PolarHBondContact N-O 2.89Å
235F98.9Very high96.6Very high0 Ų018.7 Ų18.70%011%0.111CC..EExtended strand (participates in β ladder)trans-134.6132.8176.6-68.6-83.6000113I85 F87 A96 M97 Y98 V99 G165 G193 L228 N229 H232 L237I85-F235 HydrophobicContact CD1-CD2 4.15Å; F87-F235 HydrophobicContact CE2-CE2 4.09Å; F87-F235 AromaticContact CZ-CE2 3.65Å; F87-F235 HydrophobicContact CZ-CE2 3.65Å; F87-F235 AromaticContact CZ-CZ 4Å; F87-F235 HydrophobicContact CZ-CZ 4Å; A96-F235 HydrophobicContact CB-CD2 3.79Å; A96-F235 HydrophobicContact CB-CE2 3.71Å; M97-F235 PolarHBondContact O-N 3.4Å; Y98-F235 VanDerWaalsContact CA-O 3.3Å; Y98-F235 WeakPolarHBondContact CA-O 3.39Å; V99-F235 PolarHBondContact N-O 3.14Å; V99-F235 VanDerWaalsContact N-O 3.1Å; G165-F235 WeakPolarHBondContact O-CE1 3.3Å; G193-F235 CarbonylContact O-C 3.5Å; G193-F235 VanDerWaalsContact O-CA 3.3Å; G193-F235 WeakPolarHBondContact O-CA 3.43Å; L228-F235 HydrophobicContact CB-CE1 4.02Å; L228-F235 HydrophobicContact CB-CZ 3.91Å; L228-F235 HydrophobicContact CD1-CD1 4.36Å; L228-F235 HydrophobicContact CD1-CE1 4.38Å; L228-F235 HydrophobicContact CD1-CG 4.4Å; L228-F235 HydrophobicContact CD1-CZ 4.45Å; L228-F235 HydrophobicContact CD2-CD1 3.95Å; L228-F235 HydrophobicContact CD2-CE1 3.83Å; L228-F235 HydrophobicContact CG-CE1 4.29Å; N229-F235 WeakPolarHBondContact O-CZ 3.47Å; H232-F235 HydrophobicContact CB-CE1 3.98Å; H232-F235 HydrophobicContact CB-CE2 3.82Å; H232-F235 HydrophobicContact CB-CZ 3.43Å; H232-F235 VanDerWaalsContact CB-CZ 3.43Å; F235-L237 HydrophobicContact CB-CD2 4.15Å; F235-L237 HydrophobicContact CB-CG 4.37Å
236I98.9Very high96.7Very high1 Ų121 Ų211%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-112.2112.1166-60.4171.5000106.5V99 V101 L110 M114 W118 I192 G193 I194 A195 L252 L256V99-I236 HydrophobicContact CG1-CG1 4.43Å; V101-I236 HydrophobicContact CG2-CG2 3.64Å; L110-I236 HydrophobicContact CD2-CD1 4.34Å; L110-I236 HydrophobicContact CD2-CG2 4.11Å; M114-I236 HydrophobicContact SD-CD1 4.34Å; W118-I236 HydrophobicContact CH2-CG1 3.91Å; W118-I236 HydrophobicContact CZ3-CG1 4.29Å; I192-I236 HydrophobicContact CG2-CD1 4.34Å; I192-I236 HydrophobicContact CG2-CG1 4.48Å; G193-I236 PolarHBondContact O-N 3.2Å; I194-I236 WeakPolarHBondContact CA-O 3.35Å; I194-I236 HydrophobicContact CG1-CB 4.45Å; I194-I236 HydrophobicContact CG2-CB 4.39Å; I194-I236 HydrophobicContact CG2-CG2 4.48Å; A195-I236 PolarHBondContact N-O 2.81Å; A195-I236 VanDerWaalsContact N-O 3.08Å; I236-L252 HydrophobicContact CG2-CD2 4.02Å; I236-L256 HydrophobicContact CD1-CD2 3.88Å
237L98.8Very high96.7Very high0 Ų021.9 Ų21.90%013%0.13CC..EExtended strand (participates in β ladder)trans-100.8100.6-175.5-54.3176.7000109.4Y98 V99 R100 V101 A195 W197 V200 L206 L228 F235Y98-L237 HydrophobicContact CD2-CD1 4.19Å; V99-L237 PolarHBondContact O-N 3.1Å; R100-L237 WeakPolarHBondContact CA-O 3.49Å; V101-L237 PolarHBondContact N-O 2.79Å; A195-L237 HydrophobicContact CB-CD2 4.06Å; A195-L237 CarbonylContact O-C 3.57Å; A195-L237 VanDerWaalsContact O-CA 3.29Å; A195-L237 WeakPolarHBondContact O-CA 3.37Å; W197-L237 HydrophobicContact CB-CB 4.39Å; W197-L237 HydrophobicContact CE3-CB 3.85Å; W197-L237 HydrophobicContact CE3-CD1 3.55Å; W197-L237 HydrophobicContact CE3-CG 4.32Å; W197-L237 HydrophobicContact CZ3-CD1 3.61Å; V200-L237 HydrophobicContact CG2-CD2 4.23Å; L206-L237 HydrophobicContact CD1-CD1 4.21Å; L228-L237 HydrophobicContact CD2-CD2 4.08Å; F235-L237 HydrophobicContact CB-CD2 4.15Å; F235-L237 HydrophobicContact CB-CG 4.37Å
238A98.8Very high96.8Very high0 Ų021.5 Ų21.50%013%0.128CC..EExtended strand (participates in β ladder)trans-77.8124.4-174.600000111.4V101 A195 P196 W197 A248 E249 L252V101-A238 CarbonylContact O-C 3.57Å; V101-A238 WeakPolarHBondContact O-CA 3.2Å; A195-A238 PolarHBondContact O-N 3.06Å; P196-A238 CarbonylContact C-O 3.55Å; P196-A238 VanDerWaalsContact CA-O 3.3Å; P196-A238 WeakPolarHBondContact CA-O 3.38Å; W197-A238 PolarHBondContact N-O 2.83Å; A238-A248 HydrophobicContact CB-CB 4.06Å; A238-A248 WeakPolarHBondContact O-CB 3.37Å; A238-E249 HydrophobicContact CB-CB 4.18Å; A238-L252 HydrophobicContact CB-CD2 3.77Å
239D98.6Very high96.8Very high1 Ų122.8 Ų22.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-118.6122.6-172.1-173.911.5000111.6R15 R100 V101 S102 F103 W197 G241R15-D239 PolarHBondContact N-OD2 3.43Å; R100-D239 HydrophobicContact CG-CB 4.23Å; R100-D239 IonicContact CZ-OD2 2.7Å; R100-D239 IonicContact NE-OD2 3.86Å; R100-D239 PolarHBondContact NE-OD2 3.29Å; R100-D239 IonicContact NH2-OD2 3.58Å; R100-D239 PolarHBondContact NH2-OD2 3.4Å; V101-D239 WeakPolarHBondContact O-CB 3.42Å; V101-D239 PolarHBondContact O-N 3.11Å; S102-D239 CarbonylContact C-O 3.47Å; S102-D239 WeakPolarHBondContact CA-O 3.42Å; F103-D239 PolarHBondContact N-O 3.44Å; W197-D239 HydrophobicContact CB-CB 4.01Å; D239-G241 PolarHBondContact OD1-N 2.93Å
240N97.7Very high96.7Very high13 Ų1325.8 Ų25.87%0.0715%0.152CC..  trans-119.314.6174.768.8-2.7000112.2I70 F103 T242 A248I70-N240 HydrophobicContact CD1-CB 3.96Å; I70-N240 HydrophobicContact CG1-CB 4.33Å; I70-N240 HydrophobicContact CG2-CB 4.28Å; F103-N240 HydrophobicContact CB-CB 4.14Å; F103-N240 HydrophobicContact CD1-CB 3.79Å; F103-N240 HydrophobicContact CE1-CB 4.44Å; F103-N240 HydrophobicContact CG-CB 3.96Å; N240-T242 VanDerWaalsContact C-N 3.26Å; N240-T242 PolarHBondContact ND2-OG1 3.11Å; N240-T242 PolarHBondContact O-N 3.35Å; N240-T242 WeakPolarHBondContact OD1-CB 3.46Å; N240-T242 WeakPolarHBondContact OD1-CG2 3.42Å; N240-T242 PolarHBondContact OD1-N 2.79Å; N240-T242 PolarHBondContact OD1-OG1 3.49Å; N240-A248 HydrophobicContact CB-CB 4Å
241G96.5Very high96.8Very high0 Ų029.8 Ų29.80%017%0.165CC..SBendtrans74.86.1-178.800000115.2R15 D239R15-G241 WeakPolarHBondContact O-CA 3.36Å; D239-G241 PolarHBondContact OD1-N 2.93Å
242T96.8Very high97Very high6 Ų628 Ų284%0.03716%0.156CC..  trans-94.7161175.769.20000112.4C32 W68 G198 N240 K245C32-T242 CarbonylContact O-C 3.49Å; C32-T242 WeakPolarHBondContact O-CA 3.3Å; C32-T242 VanDerWaalsContact O-CB 3.27Å; C32-T242 WeakPolarHBondContact O-CB 3.29Å; W68-T242 HydrophobicContact CH2-CG2 3.53Å; W68-T242 HydrophobicContact CZ2-CG2 4.4Å; W68-T242 HydrophobicContact CZ3-CG2 3.89Å; G198-T242 WeakPolarHBondContact CA-O 3.31Å; N240-T242 VanDerWaalsContact C-N 3.26Å; N240-T242 PolarHBondContact ND2-OG1 3.11Å; N240-T242 PolarHBondContact O-N 3.35Å; N240-T242 WeakPolarHBondContact OD1-CB 3.46Å; N240-T242 WeakPolarHBondContact OD1-CG2 3.42Å; N240-T242 PolarHBondContact OD1-N 2.79Å; N240-T242 PolarHBondContact OD1-OG1 3.49Å; T242-K245 HydrophobicContact CG2-CD 4.24Å
243T95.3Very high97Very high32 Ų3228.7 Ų28.720%0.19616%0.159CC..SBendtrans-127.4135175.7-60.50000109.4C32 R34 G198 K245C32-T243 PolarHBondContact O-N 2.79Å; R34-T243 WeakPolarHBondContact CG-OG1 3.48Å; R34-T243 PolarHBondContact NE-OG1 3.01Å; G198-T243 CarbonylContact O-C 3.58Å; T243-K245 VanDerWaalsContact C-N 3.3Å; T243-K245 PolarHBondContact O-N 2.69Å
244G94.6Very high97Very high42 Ų4229 Ų2943%0.43316%0.156SC..SBendtrans69.520.4-178.600000114.6G198G198-G244 PolarHBondContact O-N 3.06Å
245K95.2Very high97Very high91 Ų9131.5 Ų31.540%0.39617%0.168SC..  trans-125.6133.8-177.8-60.1-173.6-179.9-172.40112.1C31 I199 T242 T243C31-K245 PolarHBondContact O-NZ 2.91Å; I199-K245 WeakPolarHBondContact CG2-O 3.5Å; T242-K245 HydrophobicContact CG2-CD 4.24Å; T243-K245 VanDerWaalsContact C-N 3.3Å; T243-K245 PolarHBondContact O-N 2.69Å
246Y94.7Very high97Very high98 Ų9831.6 Ų31.638%0.38417%0.168SC..  trans-80.2164.3169.8-69.5-98.3000111.1P196 I199P196-Y246 HydrophobicContact CG-CD1 4.22Å; I199-Y246 HydrophobicContact CD1-CD1 3.83Å; I199-Y246 HydrophobicContact CD1-CE1 3.25Å; I199-Y246 HydrophobicContact CD1-CE2 4.21Å; I199-Y246 VanDerWaalsContact CD1-CZ 3.45Å; I199-Y246 HydrophobicContact CG2-CD2 4.22Å; I199-Y246 HydrophobicContact CG2-CE2 4.19Å
247G94.6Very high97Very high37 Ų3731.6 Ų31.638%0.38117%0.168SC..  trans116.3-16.7169.800000114.9E249 V250G247-E249 VanDerWaalsContact C-N 3.25Å; G247-E249 VanDerWaalsContact CA-OE2 3.25Å; G247-E249 WeakPolarHBondContact CA-OE2 3.14Å; G247-E249 PolarHBondContact N-OE2 2.84Å; G247-E249 PolarHBondContact O-N 2.71Å; G247-V250 PolarHBondContact O-N 2.89Å
248A97.3Very high96.9Very high2 Ų236.9 Ų36.92%0.01719%0.191CC..Hα-helixtrans-63.2-34.4177.700000112.1F103 P196 A238 N240F103-A248 HydrophobicContact CB-CB 4.17Å; F103-A248 WeakPolarHBondContact CB-O 3.4Å; P196-A248 HydrophobicContact CB-CB 4.14Å; A238-A248 HydrophobicContact CB-CB 4.06Å; A238-A248 WeakPolarHBondContact O-CB 3.37Å; N240-A248 HydrophobicContact CB-CB 4Å
249E97Very high96.8Very high26 Ų2639.2 Ų39.212%0.12120%0.202CC..Hα-helixtrans-77.2-24.2-178.179.6-71.6-166.400113.8I194 P196 A238 G247 L252 R253I194-E249 HydrophobicContact CG2-CB 4.05Å; P196-E249 WeakPolarHBondContact CG-OE2 3.06Å; A238-E249 HydrophobicContact CB-CB 4.18Å; G247-E249 VanDerWaalsContact C-N 3.25Å; G247-E249 VanDerWaalsContact CA-OE2 3.25Å; G247-E249 WeakPolarHBondContact CA-OE2 3.14Å; G247-E249 PolarHBondContact N-OE2 2.84Å; G247-E249 PolarHBondContact O-N 2.71Å; E249-L252 PolarHBondContact O-N 2.77Å; E249-R253 WeakPolarHBondContact O-CB 3.11Å; E249-R253 PolarHBondContact O-N 3.5Å
250V95.8Very high96.7Very high69 Ų6939.1 Ų39.142%0.41820%0.201SC..Hα-helixtrans-61.4-57.9-165.31760000111.6G247 L252 R254G247-V250 PolarHBondContact O-N 2.89Å; V250-L252 PolarHBondContact O-N 3.48Å; V250-R254 WeakPolarHBondContact O-CG 3.39Å; V250-R254 PolarHBondContact O-N 3.15Å
251K96.5Very high96.6Very high115 Ų11540.3 Ų40.350%0.521%0.211SC..Hα-helixtrans-64.5-43.1179.6-179.5179.8174.8-175.50111.3R253 R254 Q255K251-R253 PolarHBondContact O-N 3.26Å; K251-R254 PolarHBondContact O-N 2.87Å; K251-Q255 HydrophobicContact CG-CG 4.29Å; K251-Q255 WeakPolarHBondContact O-CB 3.35Å; K251-Q255 WeakPolarHBondContact O-CG 3.47Å; K251-Q255 PolarHBondContact O-N 3.02Å
252L98.3Very high96.5Very high2 Ų246.1 Ų46.11%0.0124%0.241CC..Hα-helixtrans-58.2-48.5-179.1-168.972.4000111.2V101 T105 L110 I236 A238 E249 V250 Q255 L256V101-L252 HydrophobicContact CG2-CD2 3.88Å; T105-L252 VanDerWaalsContact O-CD1 3.3Å; T105-L252 WeakPolarHBondContact O-CD1 3.24Å; L110-L252 HydrophobicContact CD1-CD1 3.73Å; L110-L252 HydrophobicContact CD1-CD2 4.17Å; L110-L252 HydrophobicContact CD1-CG 3.87Å; I236-L252 HydrophobicContact CG2-CD2 4.02Å; A238-L252 HydrophobicContact CB-CD2 3.77Å; E249-L252 PolarHBondContact O-N 2.77Å; V250-L252 PolarHBondContact O-N 3.48Å; L252-Q255 PolarHBondContact O-N 2.92Å; L252-L256 WeakPolarHBondContact O-CB 3.49Å; L252-L256 PolarHBondContact O-N 2.87Å
253R98.3Very high96.3Very high19 Ų1948.4 Ų48.47%0.07225%0.251CS..Hα-helixtrans-59.7-49.4177.8175.1170.7178.8178.93.5111.7S128 V129 H130 F162 I194 E249 K251 Q255 L256 E257S128-R253 PolarHBondContact OG-NE 2.98Å; S128-R253 PolarHBondContact OG-NH2 3.37Å; V129-R253 PolarHBondContact O-NH2 3.48Å; H130-R253 PolarHBondContact CE1-NH2 3.23Å; H130-R253 VanDerWaalsContact CE1-NH2 3.32Å; H130-R253 PolarHBondContact NE2-NH2 3.24Å; F162-R253 PolarHBondContact O-NH2 3.41Å; I194-R253 HydrophobicContact CD1-CB 4.07Å; I194-R253 HydrophobicContact CD1-CG 3.98Å; I194-R253 HydrophobicContact CG2-CB 4.41Å; E249-R253 WeakPolarHBondContact O-CB 3.11Å; E249-R253 PolarHBondContact O-N 3.5Å; K251-R253 PolarHBondContact O-N 3.26Å; R253-Q255 PolarHBondContact O-N 2.69Å; R253-L256 PolarHBondContact O-N 2.74Å; R253-E257 HydrophobicContact CG-CG 4.42Å; R253-E257 VanDerWaalsContact CG-OE1 3.28Å; R253-E257 WeakPolarHBondContact CG-OE1 3.38Å; R253-E257 IonicContact NE-OE1 2.69Å; R253-E257 PolarHBondContact NE-OE1 3.05Å; R253-E257 VanDerWaalsContact NE-OE1 3.07Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 VanDerWaalsContact O-CG 3.28Å; R253-E257 WeakPolarHBondContact O-CG 3.25Å; R253-E257 PolarHBondContact O-N 3.42Å
254R96.8Very high96Very high36 Ų3654 Ų5414%0.13627%0.273CS..Hα-helixtrans-63.6-41.4-179.5-63.8-63.7-71.8122.60.2112.1V250 K251 E257 K258 Y293 D296V250-R254 WeakPolarHBondContact O-CG 3.39Å; V250-R254 PolarHBondContact O-N 3.15Å; K251-R254 PolarHBondContact O-N 2.87Å; R254-E257 IonicContact CZ-OE2 3.66Å; R254-E257 IonicContact NH1-OE2 2.69Å; R254-E257 PolarHBondContact NH1-OE2 3.16Å; R254-K258 WeakPolarHBondContact O-CB 2.85Å; R254-K258 PolarHBondContact O-N 3.23Å; R254-Y293 VanDerWaalsContact CZ-CE1 3.42Å; R254-Y293 VanDerWaalsContact NH1-CD1 3.34Å; R254-D296 IonicContact CZ-OD2 3.67Å; R254-D296 IonicContact NH1-OD2 2.7Å; R254-D296 IonicContact NH2-OD1 3.15Å; R254-D296 IonicContact NH2-OD2 3.81Å; R254-D296 PolarHBondContact NH2-OD2 3.29Å
255Q97.8Very high95.4Very high72 Ų7254.8 Ų54.834%0.33627%0.267SS..Hα-helixtrans-65.5-39.3176-72.5-174.8-30.300112.2P107 K251 L252 R253 H259P107-Q255 HydrophobicContact CB-CB 4.44Å; P107-Q255 HydrophobicContact CG-CB 4.31Å; K251-Q255 HydrophobicContact CG-CG 4.29Å; K251-Q255 WeakPolarHBondContact O-CB 3.35Å; K251-Q255 WeakPolarHBondContact O-CG 3.47Å; K251-Q255 PolarHBondContact O-N 3.02Å; L252-Q255 PolarHBondContact O-N 2.92Å; R253-Q255 PolarHBondContact O-N 2.69Å; Q255-H259 WeakPolarHBondContact O-CB 3.44Å; Q255-H259 PolarHBondContact O-N 2.81Å
256L98.6Very high94.2Very high1 Ų153.5 Ų53.51%0.00526%0.264CS..Hα-helixtrans-67.1-46.5176.5-179.258000111.9P107 L110 M114 F162 I194 I236 L252 R253 K258 H259 I260P107-L256 HydrophobicContact CB-CD1 4.4Å; L110-L256 HydrophobicContact CB-CD1 3.84Å; L110-L256 HydrophobicContact CB-CD2 4.33Å; L110-L256 HydrophobicContact CD1-CD2 4.17Å; M114-L256 HydrophobicContact SD-CD2 4.19Å; F162-L256 HydrophobicContact CE2-CD2 3.81Å; F162-L256 HydrophobicContact CE2-CG 3.99Å; F162-L256 HydrophobicContact CZ-CD2 3.79Å; F162-L256 HydrophobicContact CZ-CG 4.14Å; I194-L256 HydrophobicContact CD1-CD2 4.17Å; I236-L256 HydrophobicContact CD1-CD2 3.88Å; L252-L256 WeakPolarHBondContact O-CB 3.49Å; L252-L256 PolarHBondContact O-N 2.87Å; R253-L256 PolarHBondContact O-N 2.74Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 2.81Å; L256-H259 PolarHBondContact O-N 2.78Å; L256-H259 VanDerWaalsContact O-N 3.15Å; L256-I260 HydrophobicContact CD1-CD1 3.93Å; L256-I260 HydrophobicContact CD1-CG1 4.16Å; L256-I260 HydrophobicContact CG-CD1 3.83Å; L256-I260 HydrophobicContact CG-CG1 4.49Å; L256-I260 VanDerWaalsContact O-CG1 3.32Å; L256-I260 WeakPolarHBondContact O-CG1 2.83Å; L256-I260 PolarHBondContact O-N 3.25Å
257E98.2Very high92.7Very high2 Ų255 Ų551%0.00928%0.284CS..Hα-helixtrans-55.3-48.2175.3-73.6168.8-178.800111.6L126 S128 F162 R253 R254 H259 I260 S261 Y293L126-E257 HydrophobicContact CD2-CB 4.17Å; L126-E257 HydrophobicContact CD2-CG 3.88Å; S128-E257 WeakPolarHBondContact CB-OE1 3.37Å; S128-E257 PolarHBondContact OG-OE1 3.08Å; F162-E257 HydrophobicContact CD2-CG 3.85Å; F162-E257 HydrophobicContact CE2-CG 4.06Å; R253-E257 HydrophobicContact CG-CG 4.42Å; R253-E257 VanDerWaalsContact CG-OE1 3.28Å; R253-E257 WeakPolarHBondContact CG-OE1 3.38Å; R253-E257 IonicContact NE-OE1 2.69Å; R253-E257 PolarHBondContact NE-OE1 3.05Å; R253-E257 VanDerWaalsContact NE-OE1 3.07Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 VanDerWaalsContact O-CG 3.28Å; R253-E257 WeakPolarHBondContact O-CG 3.25Å; R253-E257 PolarHBondContact O-N 3.42Å; R254-E257 IonicContact CZ-OE2 3.66Å; R254-E257 IonicContact NH1-OE2 2.69Å; R254-E257 PolarHBondContact NH1-OE2 3.16Å; E257-H259 VanDerWaalsContact C-N 3.33Å; E257-H259 PolarHBondContact O-N 3.47Å; E257-I260 PolarHBondContact O-N 3.48Å; E257-S261 PolarHBondContact O-N 3.08Å; E257-Y293 PolarHBondContact OE1-OH 2.84Å; E257-Y293 VanDerWaalsContact OE1-OH 3.06Å; E257-Y293 WeakPolarHBondContact OE2-CE1 3.4Å; E257-Y293 PolarHBondContact OE2-OH 2.84Å
258K96.6Very high91.3Very high110 Ų11064.3 Ų64.348%0.47831%0.307SS..Hα-helixtrans-64.2-37.6177.1-175170.7-175.2167.20112.3R254 L256 S261 L262R254-K258 WeakPolarHBondContact O-CB 2.85Å; R254-K258 PolarHBondContact O-N 3.23Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 2.81Å; K258-S261 PolarHBondContact O-N 3.41Å; K258-S261 PolarHBondContact O-OG 3.01Å; K258-L262 WeakPolarHBondContact O-CG 3.1Å; K258-L262 PolarHBondContact O-N 3.34Å
259H97.3Very high89.7Confident49 Ų4970 Ų7023%0.22734%0.336CS..Hα-helixtrans-69.8-37.7177.7-169.974.6000112.1P107 D108 Q255 L256 E257 L262 Q263P107-H259 HydrophobicContact CB-CB 3.63Å; P107-H259 HydrophobicContact CG-CB 3.9Å; D108-H259 WeakPolarHBondContact CA-NE2 3.34Å; Q255-H259 WeakPolarHBondContact O-CB 3.44Å; Q255-H259 PolarHBondContact O-N 2.81Å; L256-H259 PolarHBondContact O-N 2.78Å; L256-H259 VanDerWaalsContact O-N 3.15Å; E257-H259 VanDerWaalsContact C-N 3.33Å; E257-H259 PolarHBondContact O-N 3.47Å; H259-L262 PolarHBondContact O-N 2.86Å; H259-Q263 PolarHBondContact NE2-NE2 2.86Å; H259-Q263 WeakPolarHBondContact O-CG 3.46Å; H259-Q263 PolarHBondContact O-NE2 3.36Å
260I96.9Very high88.3Confident0 Ų070.7 Ų70.70%035%0.35CS..Hα-helixtrans-64-41.7173.9-70.3165.5000110.4L111 P123 L126 W160 F162 L256 E257 L262 Q263 V273L111-I260 HydrophobicContact CD1-CG1 4.1Å; P123-I260 HydrophobicContact CG-CG2 4.32Å; L126-I260 HydrophobicContact CD2-CB 4.34Å; L126-I260 HydrophobicContact CD2-CD1 4.18Å; L126-I260 HydrophobicContact CD2-CG2 4.16Å; W160-I260 HydrophobicContact CE3-CD1 4.21Å; W160-I260 HydrophobicContact CZ3-CD1 3.94Å; F162-I260 HydrophobicContact CE1-CD1 4.44Å; F162-I260 HydrophobicContact CE2-CD1 4.05Å; F162-I260 HydrophobicContact CZ-CD1 3.53Å; L256-I260 HydrophobicContact CD1-CD1 3.93Å; L256-I260 HydrophobicContact CD1-CG1 4.16Å; L256-I260 HydrophobicContact CG-CD1 3.83Å; L256-I260 HydrophobicContact CG-CG1 4.49Å; L256-I260 VanDerWaalsContact O-CG1 3.32Å; L256-I260 WeakPolarHBondContact O-CG1 2.83Å; L256-I260 PolarHBondContact O-N 3.25Å; E257-I260 PolarHBondContact O-N 3.48Å; I260-L262 PolarHBondContact O-N 2.6Å; I260-Q263 VanDerWaalsContact O-CB 3.31Å; I260-Q263 WeakPolarHBondContact O-CB 3.22Å; I260-Q263 WeakPolarHBondContact O-CG 3.24Å; I260-Q263 PolarHBondContact O-N 3.06Å; I260-V273 HydrophobicContact CG2-CB 3.94Å; I260-V273 HydrophobicContact CG2-CG1 3.93Å; I260-V273 HydrophobicContact CG2-CG2 3.95Å; I260-V273 WeakPolarHBondContact O-CB 3.26Å; I260-V273 VanDerWaalsContact O-CG2 3.24Å; I260-V273 WeakPolarHBondContact O-CG2 3.43Å
261S95.3Very high87.6Confident38 Ų3872.8 Ų72.827%0.26636%0.355SS..Hα-helixtrans-62.4-26.2-178.9770000113.8E257 K258 Q263 G272 V273E257-S261 PolarHBondContact O-N 3.08Å; K258-S261 PolarHBondContact O-N 3.41Å; K258-S261 PolarHBondContact O-OG 3.01Å; S261-Q263 VanDerWaalsContact C-N 3.3Å; S261-G272 CarbonylContact O-C 3.59Å; S261-G272 WeakPolarHBondContact O-CA 3.4Å; S261-V273 VanDerWaalsContact CA-O 3.26Å; S261-V273 WeakPolarHBondContact CA-O 3.14Å; S261-V273 WeakPolarHBondContact CB-O 3.38Å; S261-V273 PolarHBondContact O-N 3.13Å
262L93.8Very high87.2Confident121 Ų12168.3 Ų68.363%0.63434%0.342SS*.THydrogen-bonded Turntrans-79.6-10.5176.5-63.9171.5000113.5K258 H259 I260K258-L262 WeakPolarHBondContact O-CG 3.1Å; K258-L262 PolarHBondContact O-N 3.34Å; H259-L262 PolarHBondContact O-N 2.86Å; I260-L262 PolarHBondContact O-N 2.6Å
263Q93.4Very high87.1Confident54 Ų5468.4 Ų68.425%0.25234%0.343SS..SBendtrans-76.2128.6-179.2-54.3-54.1-49.600110.7L111 L122 H259 I260 S261 I265 G272 V273L111-Q263 HydrophobicContact CD2-CG 3.45Å; L111-Q263 VanDerWaalsContact CD2-CG 3.45Å; L122-Q263 HydrophobicContact CD1-CB 3.83Å; L122-Q263 HydrophobicContact CD1-CG 4.02Å; L122-Q263 HydrophobicContact CD2-CB 3.58Å; L122-Q263 HydrophobicContact CG-CB 4.33Å; H259-Q263 PolarHBondContact NE2-NE2 2.86Å; H259-Q263 WeakPolarHBondContact O-CG 3.46Å; H259-Q263 PolarHBondContact O-NE2 3.36Å; I260-Q263 VanDerWaalsContact O-CB 3.31Å; I260-Q263 WeakPolarHBondContact O-CB 3.22Å; I260-Q263 WeakPolarHBondContact O-CG 3.24Å; I260-Q263 PolarHBondContact O-N 3.06Å; S261-Q263 VanDerWaalsContact C-N 3.3Å; Q263-I265 PolarHBondContact O-N 3.23Å; Q263-G272 CarbonylContact O-C 3.14Å; Q263-G272 VanDerWaalsContact O-CA 3.24Å; Q263-G272 WeakPolarHBondContact O-CA 3.16Å; Q263-V273 HydrophobicContact CB-CG2 4.24Å; Q263-V273 PolarHBondContact O-N 2.61Å; Q263-V273 VanDerWaalsContact O-N 3.17Å
264K88.4Confident87Confident149 Ų14970 Ų7065%0.64836%0.356SS*.EExtended strand (participates in β ladder)trans-75.9116.8-178.5-63.9-177.7179.7-178.70110.1
265I82.4Confident87Confident60 Ų6068.9 Ų68.931%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-86.9-33.9173.9-53.1158.9000110.7L122 P123 K124 Q263 Q271 V273L122-I265 HydrophobicContact CD2-CG1 4.11Å; P123-I265 WeakPolarHBondContact O-CD1 3.24Å; K124-I265 HydrophobicContact CG-CG2 4.26Å; Q263-I265 PolarHBondContact O-N 3.23Å; I265-Q271 PolarHBondContact N-O 2.9Å; I265-Q271 VanDerWaalsContact N-O 3.09Å; I265-V273 VanDerWaalsContact CD1-CA 3.43Å; I265-V273 HydrophobicContact CD1-CB 3.93Å; I265-V273 HydrophobicContact CD1-CG1 4.23Å; I265-V273 HydrophobicContact CD1-CG2 3.65Å; I265-V273 HydrophobicContact CG1-CB 4.35Å; I265-V273 HydrophobicContact CG1-CG2 3.55Å
266N69.8Low87Confident64 Ų6467.1 Ų67.134%0.34235%0.347SS..EExtended strand (participates in β ladder)trans-124.2108.6179.7-169.7-24.4000110.4R268 I269 G270N266-R268 PolarHBondContact O-N 3.16Å; N266-R268 WeakPolarHBondContact OD1-CB 3.36Å; N266-R268 PolarHBondContact OD1-N 3.4Å; N266-I269 PolarHBondContact O-N 2.96Å; N266-G270 PolarHBondContact O-N 2.87Å
267T63.6Low87Confident130 Ų13067 Ų6780%0.79835%0.347SS*.THydrogen-bonded Turntrans-64.8-21.3-177.852.20000113.5
268R64.2Low87Confident231 Ų23168 Ų6887%0.87235%0.352SS*.THydrogen-bonded Turntrans-82.5-28.9-179.8-61.6-173.6-175.9-171.30.9113.6N266N266-R268 PolarHBondContact O-N 3.16Å; N266-R268 WeakPolarHBondContact OD1-CB 3.36Å; N266-R268 PolarHBondContact OD1-N 3.4Å
269I65.1Low87.1Confident121 Ų12162.8 Ų62.862%0.62133%0.329SS*.THydrogen-bonded Turntrans-109.3-13.8-174.8-53.4177.4000110.9N266 Q271N266-I269 PolarHBondContact O-N 2.96Å; I269-Q271 HydrophobicContact CG2-CB 4.43Å; I269-Q271 PolarHBondContact O-N 3.43Å
270G68Low87.2Confident41 Ų4160.5 Ų60.542%0.42332%0.318SS..THydrogen-bonded Turntrans68.913.9-17900000113.7N266 G272N266-G270 PolarHBondContact O-N 2.87Å; G270-G272 PolarHBondContact O-N 3.5Å
271Q79.6Confident87.2Confident113 Ų11361 Ų6153%0.52832%0.321SS..EExtended strand (participates in β ladder)trans-72.8126.3-177.4-167.1177.1-300110.8I265 I269I265-Q271 PolarHBondContact N-O 2.9Å; I265-Q271 VanDerWaalsContact N-O 3.09Å; I269-Q271 HydrophobicContact CG2-CB 4.43Å; I269-Q271 PolarHBondContact O-N 3.43Å
272G89.8Confident87.2Confident22 Ų2259.2 Ų59.223%0.22731%0.308CS..EExtended strand (participates in β ladder)trans-72.2175.5171.500000112.9S261 Q263 G270 P274S261-G272 CarbonylContact O-C 3.59Å; S261-G272 WeakPolarHBondContact O-CA 3.4Å; Q263-G272 CarbonylContact O-C 3.14Å; Q263-G272 VanDerWaalsContact O-CA 3.24Å; Q263-G272 WeakPolarHBondContact O-CA 3.16Å; G270-G272 PolarHBondContact O-N 3.5Å; G272-P274 VanDerWaalsContact O-CD 3.29Å; G272-P274 WeakPolarHBondContact O-CD 3.37Å
273V95.1Very high87.3Confident4 Ų454.4 Ų54.42%0.02429%0.288CS..  trans-69.3116.9172.8-176.10000110.3L122 P123 L126 I260 S261 Q263 I265 V275L122-V273 HydrophobicContact CD1-CG2 4.31Å; L122-V273 HydrophobicContact CD2-CG2 4.06Å; L122-V273 HydrophobicContact CG-CG2 4.06Å; P123-V273 HydrophobicContact CG-CG1 4.07Å; L126-V273 HydrophobicContact CB-CG1 4.26Å; I260-V273 HydrophobicContact CG2-CB 3.94Å; I260-V273 HydrophobicContact CG2-CG1 3.93Å; I260-V273 HydrophobicContact CG2-CG2 3.95Å; I260-V273 WeakPolarHBondContact O-CB 3.26Å; I260-V273 VanDerWaalsContact O-CG2 3.24Å; I260-V273 WeakPolarHBondContact O-CG2 3.43Å; S261-V273 VanDerWaalsContact CA-O 3.26Å; S261-V273 WeakPolarHBondContact CA-O 3.14Å; S261-V273 WeakPolarHBondContact CB-O 3.38Å; S261-V273 PolarHBondContact O-N 3.13Å; Q263-V273 HydrophobicContact CB-CG2 4.24Å; Q263-V273 PolarHBondContact O-N 2.61Å; Q263-V273 VanDerWaalsContact O-N 3.17Å; I265-V273 VanDerWaalsContact CD1-CA 3.43Å; I265-V273 HydrophobicContact CD1-CB 3.93Å; I265-V273 HydrophobicContact CD1-CG1 4.23Å; I265-V273 HydrophobicContact CD1-CG2 3.65Å; I265-V273 HydrophobicContact CG1-CB 4.35Å; I265-V273 HydrophobicContact CG1-CG2 3.55Å; V273-V275 PolarHBondContact O-N 3.27Å
274P95.3Very high87.4Confident52 Ų5252.9 Ų52.934%0.33828%0.283SS..  trans-65.1136.9172.726.9-31.6000109.7K124 L125 L126 G272K124-P274 WeakPolarHBondContact O-CD 3.32Å; K124-P274 VanDerWaalsContact O-CG 3.24Å; K124-P274 WeakPolarHBondContact O-CG 3.39Å; L125-P274 HydrophobicContact CB-CG 4.49Å; L125-P274 HydrophobicContact CD1-CB 4.14Å; L125-P274 HydrophobicContact CD1-CG 3.98Å; L125-P274 WeakPolarHBondContact CD1-O 3.48Å; L126-P274 PolarHBondContact N-O 3.08Å; G272-P274 VanDerWaalsContact O-CD 3.29Å; G272-P274 WeakPolarHBondContact O-CD 3.37Å
275V97.5Very high87.6Confident12 Ų1251.5 Ų51.57%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-114.1139.3175.4-173.70000108.1L126 V273 V300L126-V275 HydrophobicContact CB-CG1 4.39Å; L126-V275 HydrophobicContact CB-CG2 4.16Å; L126-V275 HydrophobicContact CD2-CG1 4.26Å; L126-V275 HydrophobicContact CD2-CG2 4.15Å; L126-V275 HydrophobicContact CG-CG1 4.35Å; L126-V275 WeakPolarHBondContact O-CA 3.28Å; V273-V275 PolarHBondContact O-N 3.27Å; V275-V300 HydrophobicContact CB-CG1 4.2Å; V275-V300 HydrophobicContact CG1-CG1 4.03Å
276V98.3Very high88.3Confident35 Ų3549 Ų4921%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-132.2133.4172.4175.60000108.7L125 L126 S128 P301 V303L125-V276 HydrophobicContact CD1-CG2 4.1Å; L126-V276 PolarHBondContact O-N 2.92Å; S128-V276 PolarHBondContact N-O 3.5Å; V276-P301 WeakPolarHBondContact CA-O 3.26Å; V276-P301 HydrophobicContact CG2-CB 4.5Å; V276-V303 HydrophobicContact CG1-CG2 3.75Å
277A98.5Very high89.5Confident0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-91.5131.7171.800000110.2S128 Y293 P301 V302 V303S128-A277 CarbonylContact O-C 3.46Å; S128-A277 WeakPolarHBondContact O-CA 3.49Å; A277-Y293 HydrophobicContact CB-CD1 4.24Å; A277-Y293 HydrophobicContact CB-CD2 3.67Å; A277-Y293 HydrophobicContact CB-CE1 4.2Å; A277-Y293 HydrophobicContact CB-CE2 3.7Å; A277-Y293 HydrophobicContact CB-CG 3.98Å; A277-P301 PolarHBondContact N-O 2.89Å; A277-V302 HydrophobicContact CB-CG2 4.22Å; A277-V302 CarbonylContact O-C 3.48Å; A277-V302 WeakPolarHBondContact O-CA 3.27Å; A277-V303 PolarHBondContact O-N 3.39Å
278L98.7Very high91Very high23 Ų2343.6 Ų43.612%0.1224%0.24CC..EExtended strand (participates in β ladder)trans-113.7121.8176.3177.760.8000109.5I127 S128 V129 H130 F146 L150 V280 V303I127-L278 HydrophobicContact CG2-CB 4.38Å; S128-L278 PolarHBondContact O-N 3.46Å; V129-L278 WeakPolarHBondContact CA-O 3.3Å; V129-L278 HydrophobicContact CG2-CB 4.46Å; V129-L278 HydrophobicContact CG2-CD2 4.34Å; H130-L278 PolarHBondContact N-O 3.39Å; F146-L278 HydrophobicContact CD2-CD2 4.37Å; F146-L278 HydrophobicContact CE2-CD2 3.72Å; F146-L278 HydrophobicContact CE2-CG 4.41Å; L150-L278 HydrophobicContact CD1-CD2 4.12Å; L278-V280 HydrophobicContact CG-CG2 4.49Å; L278-V303 WeakPolarHBondContact CA-O 3.4Å; L278-V303 HydrophobicContact CD1-CB 3.93Å; L278-V303 HydrophobicContact CD1-CG1 3.76Å
279I98.5Very high92.5Very high0 Ų034.4 Ų34.40%021%0.208CC..EExtended strand (participates in β ladder)trans-110.4128.3-174.5-47.1-57.6000110.4H130 V286 V290 V302 V303 V304 C305 S312H130-I279 HydrophobicContact CB-CD1 3.82Å; H130-I279 WeakPolarHBondContact O-CA 3.47Å; I279-V286 HydrophobicContact CD1-CG1 4.36Å; I279-V286 HydrophobicContact CG2-CG1 3.3Å; I279-V290 HydrophobicContact CD1-CG2 3.72Å; I279-V290 HydrophobicContact CG1-CG2 3.71Å; I279-V302 HydrophobicContact CD1-CG1 4.23Å; I279-V302 HydrophobicContact CG1-CG1 3.52Å; I279-V303 PolarHBondContact N-O 3.5Å; I279-V304 HydrophobicContact CB-CG2 4.41Å; I279-V304 HydrophobicContact CG1-CG2 4.43Å; I279-C305 WeakPolarHBondContact O-CB 3.34Å; I279-C305 PolarHBondContact O-N 3.3Å; I279-S312 WeakPolarHBondContact CG2-OG 3.04Å
280V98.2Very high94Very high0 Ų029.1 Ų29.10%018%0.181CC..EExtended strand (participates in β ladder)trans-136.9123.9176.5-170.10000110.2H130 G131 G132 F136 L138 F146 V170 L278 G282 C305H130-V280 PolarHBondContact O-N 3.03Å; G131-V280 CarbonylContact C-O 3.54Å; G131-V280 WeakPolarHBondContact CA-O 3.23Å; G132-V280 PolarHBondContact N-O 3.48Å; F136-V280 HydrophobicContact CE2-CG1 4.33Å; F136-V280 HydrophobicContact CZ-CG1 4.17Å; L138-V280 HydrophobicContact CD1-CG1 4.34Å; L138-V280 HydrophobicContact CD2-CG1 4.08Å; F146-V280 HydrophobicContact CD2-CG2 3.89Å; F146-V280 HydrophobicContact CE2-CG2 3.47Å; F146-V280 VanDerWaalsContact CE2-CG2 3.47Å; F146-V280 HydrophobicContact CZ-CG2 4.1Å; V170-V280 HydrophobicContact CG2-CB 3.66Å; V170-V280 HydrophobicContact CG2-CG1 4.25Å; V170-V280 HydrophobicContact CG2-CG2 3.97Å; L278-V280 HydrophobicContact CG-CG2 4.49Å; V280-G282 PolarHBondContact O-N 3.42Å; V280-C305 HydrophobicContact CB-CB 4.38Å; V280-C305 HydrophobicContact CG1-CB 4.35Å; V280-C305 HydrophobicContact CG2-CB 4Å
281E97.4Very high95.3Very high12 Ų1230.9 Ų30.96%0.05618%0.181CC..SBendtrans54.4-125.8-170-161.6-8813800110.4G132 F136 S308 G309 R310 S312G132-E281 WeakPolarHBondContact CA-OE2 3.43Å; G132-E281 PolarHBondContact N-OE2 3.45Å; F136-E281 HydrophobicContact CD1-CB 4.2Å; F136-E281 HydrophobicContact CD1-CG 4.13Å; F136-E281 HydrophobicContact CD2-CB 4.12Å; F136-E281 HydrophobicContact CD2-CG 4.16Å; F136-E281 HydrophobicContact CE1-CB 3.81Å; F136-E281 HydrophobicContact CE1-CG 4.26Å; F136-E281 HydrophobicContact CE2-CB 3.69Å; F136-E281 HydrophobicContact CE2-CG 4.25Å; F136-E281 HydrophobicContact CG-CB 4.36Å; F136-E281 HydrophobicContact CG-CG 4.11Å; F136-E281 HydrophobicContact CZ-CB 3.54Å; F136-E281 HydrophobicContact CZ-CG 4.31Å; E281-S308 WeakPolarHBondContact CB-O 3.21Å; E281-S308 PolarHBondContact N-OG 3.37Å; E281-G309 WeakPolarHBondContact CA-O 3.38Å; E281-R310 HydrophobicContact CG-CB 4.29Å; E281-R310 HydrophobicContact CG-CG 4.37Å; E281-R310 WeakPolarHBondContact OE1-CB 3.28Å; E281-R310 WeakPolarHBondContact OE1-CD 3.46Å; E281-R310 WeakPolarHBondContact OE1-CG 3.39Å; E281-R310 IonicContact OE1-CZ 2.84Å; E281-R310 IonicContact OE1-NE 3.07Å; E281-R310 PolarHBondContact OE1-NE 2.9Å; E281-R310 VanDerWaalsContact OE1-NE 3.09Å; E281-S312 PolarHBondContact N-OG 3.12Å; E281-S312 WeakPolarHBondContact O-CB 3.41Å; E281-S312 PolarHBondContact O-N 2.89Å; E281-S312 PolarHBondContact O-OG 2.9Å
282G96.3Very high96Very high0 Ų030 Ų300%018%0.176CC..  trans107.2143.7177.600000115.1V280 R310 A311V280-G282 PolarHBondContact O-N 3.42Å; G282-R310 VanDerWaalsContact O-CB 3.27Å; G282-R310 WeakPolarHBondContact O-CB 3.44Å; G282-A311 WeakPolarHBondContact O-CB 3.09Å; G282-A311 PolarHBondContact O-N 3.09Å
283G95.8Very high96.4Very high20 Ų2028.9 Ų28.921%0.20617%0.165CC..  trans-84.7-175163.100000112.6N285 V286G283-N285 PolarHBondContact O-N 3.21Å; G283-N285 VanDerWaalsContact O-N 3.15Å; G283-V286 WeakPolarHBondContact O-CB 3.33Å; G283-V286 PolarHBondContact O-N 3.05Å
284P94.4Very high96.4Very high22 Ų2233 Ų3314%0.14319%0.187CC..Hα-helixtrans-53.5-38.2-178.7-25.933.7000113.9V286 I287 F344 Y346 L354P284-V286 PolarHBondContact O-N 3.45Å; P284-V286 VanDerWaalsContact O-N 3.12Å; P284-I287 WeakPolarHBondContact O-CB 3.5Å; P284-I287 PolarHBondContact O-N 3.15Å; P284-F344 HydrophobicContact CB-CD2 4.45Å; P284-F344 HydrophobicContact CB-CE2 4.5Å; P284-F344 HydrophobicContact CG-CB 3.99Å; P284-F344 HydrophobicContact CG-CD1 3.64Å; P284-F344 HydrophobicContact CG-CD2 3.84Å; P284-F344 HydrophobicContact CG-CE1 4Å; P284-F344 HydrophobicContact CG-CE2 4.18Å; P284-F344 HydrophobicContact CG-CG 3.56Å; P284-F344 HydrophobicContact CG-CZ 4.25Å; P284-Y346 HydrophobicContact CB-CE2 4.24Å; P284-Y346 WeakPolarHBondContact CB-OH 3.2Å; P284-Y346 HydrophobicContact CG-CE1 4.29Å; P284-Y346 HydrophobicContact CG-CE2 4.1Å; P284-Y346 WeakPolarHBondContact CG-OH 3.48Å; P284-L354 HydrophobicContact CB-CD2 4.13Å
285N93.1Very high96.4Very high120 Ų12039.3 Ų39.364%0.64220%0.204SC*.Hα-helixtrans-59.1-27.1179.6-66.3-3.9000113.1G283 I287 S288 I289G283-N285 PolarHBondContact O-N 3.21Å; G283-N285 VanDerWaalsContact O-N 3.15Å; N285-I287 VanDerWaalsContact C-N 3.29Å; N285-I287 PolarHBondContact O-N 3.07Å; N285-S288 WeakPolarHBondContact O-CB 3.43Å; N285-S288 PolarHBondContact O-N 3.41Å; N285-I289 WeakPolarHBondContact O-CG1 3.39Å; N285-I289 PolarHBondContact O-N 3.35Å
286V96.2Very high96.2Very high7 Ų740.7 Ų40.74%0.04221%0.211CC..Hα-helixtrans-65.5-34.4177.2170.50000111.2I279 G283 P284 S288 I289 V290 A311I279-V286 HydrophobicContact CD1-CG1 4.36Å; I279-V286 HydrophobicContact CG2-CG1 3.3Å; G283-V286 WeakPolarHBondContact O-CB 3.33Å; G283-V286 PolarHBondContact O-N 3.05Å; P284-V286 PolarHBondContact O-N 3.45Å; P284-V286 VanDerWaalsContact O-N 3.12Å; V286-S288 VanDerWaalsContact C-N 3.34Å; V286-I289 PolarHBondContact O-N 3.03Å; V286-V290 HydrophobicContact CG1-CG2 4.48Å; V286-V290 WeakPolarHBondContact O-CG2 3.39Å; V286-V290 PolarHBondContact O-N 3.37Å; V286-A311 HydrophobicContact CB-CB 4.19Å; V286-A311 HydrophobicContact CG1-CB 4.33Å
287I96.3Very high95.8Very high26 Ų2645.1 Ų45.113%0.13324%0.238CC..Hα-helixtrans-64.5-42.6175.9-60-178.8000110.1P284 N285 I289 V290 L291 A311 I314 L315 F344 L354P284-I287 WeakPolarHBondContact O-CB 3.5Å; P284-I287 PolarHBondContact O-N 3.15Å; N285-I287 VanDerWaalsContact C-N 3.29Å; N285-I287 PolarHBondContact O-N 3.07Å; I287-I289 PolarHBondContact O-N 2.9Å; I287-V290 PolarHBondContact O-N 2.86Å; I287-L291 PolarHBondContact O-N 3Å; I287-A311 HydrophobicContact CG1-CB 4.12Å; I287-I314 HydrophobicContact CD1-CG2 4.3Å; I287-L315 HydrophobicContact CG1-CD2 4.42Å; I287-L315 HydrophobicContact CG1-CG 4.4Å; I287-L315 HydrophobicContact CG2-CD2 4.45Å; I287-F344 HydrophobicContact CD1-CE2 4.14Å; I287-F344 HydrophobicContact CD1-CZ 4.43Å; I287-L354 HydrophobicContact CB-CD1 4.23Å; I287-L354 HydrophobicContact CD1-CD1 4.34Å; I287-L354 HydrophobicContact CD1-CD2 3.92Å; I287-L354 HydrophobicContact CD1-CG 4.11Å; I287-L354 HydrophobicContact CG2-CD1 4.24Å
288S94.4Very high95.4Very high54 Ų5450.2 Ų50.238%0.37827%0.271SS..Hα-helixtrans-61.8-43.1174.1-51.70000112.1N285 V286 V290 L291 E292N285-S288 WeakPolarHBondContact O-CB 3.43Å; N285-S288 PolarHBondContact O-N 3.41Å; V286-S288 VanDerWaalsContact C-N 3.34Å; S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.04Å; S288-L291 PolarHBondContact O-N 2.82Å; S288-E292 WeakPolarHBondContact O-CG 3.48Å; S288-E292 PolarHBondContact O-N 3.17Å
289I95.3Very high95.2Very high39 Ų3953.1 Ų53.120%0.229%0.291CS..Hα-helixtrans-59.7-45.1175.8-71166.9000111N285 V286 I287 L291 E292 Y293N285-I289 WeakPolarHBondContact O-CG1 3.39Å; N285-I289 PolarHBondContact O-N 3.35Å; V286-I289 PolarHBondContact O-N 3.03Å; I287-I289 PolarHBondContact O-N 2.9Å; I289-L291 PolarHBondContact O-N 2.99Å; I289-E292 WeakPolarHBondContact O-CB 3.39Å; I289-E292 PolarHBondContact O-N 2.92Å; I289-Y293 HydrophobicContact CG2-CD2 3.71Å; I289-Y293 HydrophobicContact CG2-CE2 3.45Å; I289-Y293 VanDerWaalsContact CG2-CE2 3.45Å; I289-Y293 WeakPolarHBondContact O-CD2 3.46Å; I289-Y293 PolarHBondContact O-N 2.6Å
290V97.3Very high95.1Very high10 Ų1053.9 Ų53.96%0.06130%0.296CS..Hα-helixtrans-60.8-45.5177.2167.50000111I279 V286 I287 S288 E292 Y293 L294 V302 L315I279-V290 HydrophobicContact CD1-CG2 3.72Å; I279-V290 HydrophobicContact CG1-CG2 3.71Å; V286-V290 HydrophobicContact CG1-CG2 4.48Å; V286-V290 WeakPolarHBondContact O-CG2 3.39Å; V286-V290 PolarHBondContact O-N 3.37Å; I287-V290 PolarHBondContact O-N 2.86Å; S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.04Å; V290-E292 VanDerWaalsContact C-N 3.31Å; V290-E292 PolarHBondContact O-N 2.74Å; V290-Y293 PolarHBondContact O-N 3.39Å; V290-L294 HydrophobicContact CG1-CD1 3.88Å; V290-L294 HydrophobicContact CG1-CG 4.42Å; V290-L294 WeakPolarHBondContact O-CG 3.42Å; V290-L294 PolarHBondContact O-N 2.88Å; V290-V302 HydrophobicContact CG1-CG1 4.23Å; V290-V302 HydrophobicContact CG1-CG2 4.31Å; V290-V302 HydrophobicContact CG2-CG1 3.99Å; V290-L315 HydrophobicContact CB-CD1 4.42Å; V290-L315 HydrophobicContact CG1-CD1 4.48Å; V290-L315 HydrophobicContact CG1-CD2 4.37Å; V290-L315 HydrophobicContact CG2-CD1 3.88Å
291L95.2Very high95.1Very high78 Ų7857.6 Ų57.641%0.40832%0.32SS..Hα-helixtrans-60.6-40.5176.7-177.161.8000112.1I287 S288 I289 L294 R295I287-L291 PolarHBondContact O-N 3Å; S288-L291 PolarHBondContact O-N 2.82Å; I289-L291 PolarHBondContact O-N 2.99Å; L291-L294 PolarHBondContact O-N 2.94Å; L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CB 3.33Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.25Å; L291-R295 PolarHBondContact O-N 2.7Å
292E94.7Very high95.1Very high93 Ų9358.8 Ų58.844%0.43533%0.328SS..Hα-helixtrans-62.8-41.9175.3-73.6175.6-167.100112.4S288 I289 V290 R295 D296S288-E292 WeakPolarHBondContact O-CG 3.48Å; S288-E292 PolarHBondContact O-N 3.17Å; I289-E292 WeakPolarHBondContact O-CB 3.39Å; I289-E292 PolarHBondContact O-N 2.92Å; V290-E292 VanDerWaalsContact C-N 3.31Å; V290-E292 PolarHBondContact O-N 2.74Å; E292-R295 PolarHBondContact O-N 2.84Å; E292-D296 PolarHBondContact O-N 2.89Å
293Y97.5Very high95.2Very high0 Ų062.3 Ų62.30%035%0.35CS..Hα-helixtrans-63.3-43.1175.4-83.2-64.8000112.5S128 H130 R254 E257 A277 I289 V290 R295 D296 V300S128-Y293 PolarHBondContact OG-OH 2.74Å; S128-Y293 VanDerWaalsContact OG-OH 3.11Å; H130-Y293 AromaticContact CD2-CE2 3.78Å; H130-Y293 PolarHBondContact CE1-OH 2.74Å; H130-Y293 AromaticContact NE2-CE2 3.32Å; H130-Y293 VanDerWaalsContact NE2-CE2 3.32Å; H130-Y293 WeakPolarHBondContact NE2-CE2 3.45Å; H130-Y293 AromaticContact NE2-CZ 3.43Å; H130-Y293 PolarHBondContact NE2-OH 3.36Å; R254-Y293 VanDerWaalsContact CZ-CE1 3.42Å; R254-Y293 VanDerWaalsContact NH1-CD1 3.34Å; E257-Y293 PolarHBondContact OE1-OH 2.84Å; E257-Y293 VanDerWaalsContact OE1-OH 3.06Å; E257-Y293 WeakPolarHBondContact OE2-CE1 3.4Å; E257-Y293 PolarHBondContact OE2-OH 2.84Å; A277-Y293 HydrophobicContact CB-CD1 4.24Å; A277-Y293 HydrophobicContact CB-CD2 3.67Å; A277-Y293 HydrophobicContact CB-CE1 4.2Å; A277-Y293 HydrophobicContact CB-CE2 3.7Å; A277-Y293 HydrophobicContact CB-CG 3.98Å; I289-Y293 HydrophobicContact CG2-CD2 3.71Å; I289-Y293 HydrophobicContact CG2-CE2 3.45Å; I289-Y293 VanDerWaalsContact CG2-CE2 3.45Å; I289-Y293 WeakPolarHBondContact O-CD2 3.46Å; I289-Y293 PolarHBondContact O-N 2.6Å; V290-Y293 PolarHBondContact O-N 3.39Å; Y293-R295 VanDerWaalsContact C-N 3.29Å; Y293-R295 PolarHBondContact O-N 3.08Å; Y293-D296 WeakPolarHBondContact O-CB 3.39Å; Y293-D296 PolarHBondContact O-N 2.95Å; Y293-V300 HydrophobicContact CD1-CB 3.55Å; Y293-V300 HydrophobicContact CD1-CG1 3.49Å; Y293-V300 VanDerWaalsContact CD1-CG1 3.49Å; Y293-V300 HydrophobicContact CD1-CG2 3.91Å; Y293-V300 HydrophobicContact CE1-CB 4.43Å; Y293-V300 HydrophobicContact CE1-CG1 4Å; Y293-V300 HydrophobicContact CG-CB 4.25Å; Y293-V300 HydrophobicContact CG-CG1 4.26Å; Y293-V300 PolarHBondContact O-N 2.87Å
294L95.7Very high95.4Very high91 Ų9163.6 Ų63.648%0.47635%0.353SS..Hα-helixtrans-72.1-24.3-179-66174.9000112.8V290 L291 P299 V302V290-L294 HydrophobicContact CG1-CD1 3.88Å; V290-L294 HydrophobicContact CG1-CG 4.42Å; V290-L294 WeakPolarHBondContact O-CG 3.42Å; V290-L294 PolarHBondContact O-N 2.88Å; L291-L294 PolarHBondContact O-N 2.94Å; L294-P299 WeakPolarHBondContact O-CB 3.3Å; L294-V302 HydrophobicContact CD2-CG2 3.92Å; L294-V302 HydrophobicContact CG-CG2 4.1Å
295R95.2Very high95.5Very high184 Ų18463.4 Ų63.469%0.69435%0.352SS*.THydrogen-bonded Turntrans-86.4-6.8175.9-74.9179.8173.7175.40.1114.1L291 E292 Y293L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CB 3.33Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.25Å; L291-R295 PolarHBondContact O-N 2.7Å; E292-R295 PolarHBondContact O-N 2.84Å; Y293-R295 VanDerWaalsContact C-N 3.29Å; Y293-R295 PolarHBondContact O-N 3.08Å
296D93.4Very high95.6Very high40 Ų4062.8 Ų62.821%0.21435%0.349CS..SBendtrans-60.8161.1174.5-87.8-24.5000111.3R254 E292 Y293 P298 P299 V300R254-D296 IonicContact CZ-OD2 3.67Å; R254-D296 IonicContact NH1-OD2 2.7Å; R254-D296 IonicContact NH2-OD1 3.15Å; R254-D296 IonicContact NH2-OD2 3.81Å; R254-D296 PolarHBondContact NH2-OD2 3.29Å; E292-D296 PolarHBondContact O-N 2.89Å; Y293-D296 WeakPolarHBondContact O-CB 3.39Å; Y293-D296 PolarHBondContact O-N 2.95Å; D296-P298 VanDerWaalsContact C-C 3.41Å; D296-P298 CarbonylContact C-O 3.32Å; D296-P298 WeakPolarHBondContact CB-O 3.31Å; D296-P298 CarbonylContact O-C 3.33Å; D296-P299 WeakPolarHBondContact O-CA 3.08Å; D296-P299 WeakPolarHBondContact O-CD 3.36Å; D296-V300 HydrophobicContact CB-CG2 4.33Å
297T88.9Confident95.6Very high129 Ų12964.2 Ų64.279%0.79137%0.365SS*.SBendtrans-124.4106.8176.1-51.50000109.2
298P90.5Very high95.7Very high106 Ų10663.4 Ų63.469%0.68836%0.361SS*.SBendcis-69158.2-6.331.9-36000112.6D296D296-P298 VanDerWaalsContact C-C 3.41Å; D296-P298 CarbonylContact C-O 3.32Å; D296-P298 WeakPolarHBondContact CB-O 3.31Å; D296-P298 CarbonylContact O-C 3.33Å
299P94.9Very high95.8Very high84 Ų8461.6 Ų61.655%0.54535%0.351SS..PPolyproline II helixtrans-58140.9175.9-27.536.2000112.2L294 D296L294-P299 WeakPolarHBondContact O-CB 3.3Å; D296-P299 WeakPolarHBondContact O-CA 3.08Å; D296-P299 WeakPolarHBondContact O-CD 3.36Å
300V97.4Very high95.8Very high16 Ų1664.4 Ų64.410%0.09736%0.36CS..PPolyproline II helixtrans-89122.9173.9174.80000109V275 Y293 D296V275-V300 HydrophobicContact CB-CG1 4.2Å; V275-V300 HydrophobicContact CG1-CG1 4.03Å; Y293-V300 HydrophobicContact CD1-CB 3.55Å; Y293-V300 HydrophobicContact CD1-CG1 3.49Å; Y293-V300 VanDerWaalsContact CD1-CG1 3.49Å; Y293-V300 HydrophobicContact CD1-CG2 3.91Å; Y293-V300 HydrophobicContact CE1-CB 4.43Å; Y293-V300 HydrophobicContact CE1-CG1 4Å; Y293-V300 HydrophobicContact CG-CB 4.25Å; Y293-V300 HydrophobicContact CG-CG1 4.26Å; Y293-V300 PolarHBondContact O-N 2.87Å; D296-V300 HydrophobicContact CB-CG2 4.33Å
301P97.4Very high95.8Very high78 Ų7864 Ų6451%0.50636%0.357SS..PPolyproline II helixtrans-59.4138.8175.9-24.133.7000112.3V276 A277V276-P301 WeakPolarHBondContact CA-O 3.26Å; V276-P301 HydrophobicContact CG2-CB 4.5Å; A277-P301 PolarHBondContact N-O 2.89Å
302V98.3Very high96Very high37 Ų3760.2 Ų60.222%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-116.5126.2179.9-176.20000109.6A277 I279 V290 L294 V304A277-V302 HydrophobicContact CB-CG2 4.22Å; A277-V302 CarbonylContact O-C 3.48Å; A277-V302 WeakPolarHBondContact O-CA 3.27Å; I279-V302 HydrophobicContact CD1-CG1 4.23Å; I279-V302 HydrophobicContact CG1-CG1 3.52Å; V290-V302 HydrophobicContact CG1-CG1 4.23Å; V290-V302 HydrophobicContact CG1-CG2 4.31Å; V290-V302 HydrophobicContact CG2-CG1 3.99Å; L294-V302 HydrophobicContact CD2-CG2 3.92Å; L294-V302 HydrophobicContact CG-CG2 4.1Å; V302-V304 HydrophobicContact CG1-CG2 4.05Å
303V98.3Very high96.1Very high75 Ų7558.5 Ų58.546%0.45533%0.331SS..EExtended strand (participates in β ladder)trans-103.6118.5172.4-179.50000108.1V276 A277 L278 I279V276-V303 HydrophobicContact CG1-CG2 3.75Å; A277-V303 PolarHBondContact O-N 3.39Å; L278-V303 WeakPolarHBondContact CA-O 3.4Å; L278-V303 HydrophobicContact CD1-CB 3.93Å; L278-V303 HydrophobicContact CD1-CG1 3.76Å; I279-V303 PolarHBondContact N-O 3.5Å
304V98.2Very high96Very high47 Ų4759 Ų5929%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-102.9129.7179.2-177.60000109.8I279 V302 D306 S312 L315 A316I279-V304 HydrophobicContact CB-CG2 4.41Å; I279-V304 HydrophobicContact CG1-CG2 4.43Å; V302-V304 HydrophobicContact CG1-CG2 4.05Å; V304-D306 PolarHBondContact O-N 2.98Å; V304-S312 VanDerWaalsContact CG1-O 3.27Å; V304-S312 WeakPolarHBondContact CG1-O 3.2Å; V304-L315 HydrophobicContact CG1-CB 4.27Å; V304-L315 HydrophobicContact CG2-CB 4.36Å; V304-L315 HydrophobicContact CG2-CD1 4.49Å; V304-A316 HydrophobicContact CG1-CB 4.39Å
305C96.9Very high96Very high18 Ų1856.4 Ų56.412%0.12232%0.32CS..  trans-84.687.6177.2-165.40000109.9I279 V280 S308I279-C305 WeakPolarHBondContact O-CB 3.34Å; I279-C305 PolarHBondContact O-N 3.3Å; V280-C305 HydrophobicContact CB-CB 4.38Å; V280-C305 HydrophobicContact CG1-CB 4.35Å; V280-C305 HydrophobicContact CG2-CB 4Å; C305-S308 VanDerWaalsContact O-CB 3.23Å; C305-S308 WeakPolarHBondContact O-CB 3.4Å; C305-S308 PolarHBondContact O-N 2.99Å; C305-S308 PolarHBondContact O-OG 2.81Å
306D96.6Very high96.1Very high107 Ų10748.4 Ų48.457%0.57229%0.293SS*.THydrogen-bonded Turntrans-58.4138.3177-175.425.3000111.9V304 S308 A316V304-D306 PolarHBondContact O-N 2.98Å; D306-S308 VanDerWaalsContact C-N 3.29Å; D306-A316 HydrophobicContact CB-CB 3.91Å
307G96.3Very high96.1Very high37 Ų3748.9 Ų48.938%0.38129%0.293SS..THydrogen-bonded Turntrans78.97.2-175.800000114.5L142 D313L142-G307 VanDerWaalsContact CD2-C 3.47Å; L142-G307 WeakPolarHBondContact CD2-O 2.87Å; G307-D313 VanDerWaalsContact CA-OD1 3.26Å; G307-D313 WeakPolarHBondContact CA-OD1 3.36Å; G307-D313 PolarHBondContact N-OD1 2.91Å
308S96.9Very high96.2Very high8 Ų843.4 Ų43.46%0.05626%0.263CS..SBendtrans-84.6-10.4174.664.70000113.6E281 C305 D306 S312 D313E281-S308 WeakPolarHBondContact CB-O 3.21Å; E281-S308 PolarHBondContact N-OG 3.37Å; C305-S308 VanDerWaalsContact O-CB 3.23Å; C305-S308 WeakPolarHBondContact O-CB 3.4Å; C305-S308 PolarHBondContact O-N 2.99Å; C305-S308 PolarHBondContact O-OG 2.81Å; D306-S308 VanDerWaalsContact C-N 3.29Å; S308-S312 WeakPolarHBondContact OG-CB 3.35Å; S308-S312 PolarHBondContact OG-OG 3.3Å; S308-D313 PolarHBondContact N-OD1 3.39Å
309G96.1Very high96.3Very high16 Ų1645.9 Ų45.917%0.16527%0.265CS..  trans109.3163.6173.900000114.4E281 A311 S312 D313E281-G309 WeakPolarHBondContact CA-O 3.38Å; G309-A311 PolarHBondContact O-N 2.84Å; G309-S312 PolarHBondContact O-N 3.35Å; G309-S312 VanDerWaalsContact O-N 3.16Å; G309-D313 VanDerWaalsContact CA-CG 3.5Å; G309-D313 WeakPolarHBondContact CA-OD2 3.45Å; G309-D313 VanDerWaalsContact N-CG 3.34Å; G309-D313 PolarHBondContact N-OD1 3.46Å; G309-D313 PolarHBondContact N-OD2 2.94Å; G309-D313 PolarHBondContact O-N 3.42Å
310R96.9Very high96.1Very high99 Ų9948.5 Ų48.537%0.37427%0.268SS..Hα-helixtrans47-118.6164.3-55.5-168.631.9175.114.1114.1E281 G282 S312 D313 I314 T343 F344E281-R310 HydrophobicContact CG-CB 4.29Å; E281-R310 HydrophobicContact CG-CG 4.37Å; E281-R310 WeakPolarHBondContact OE1-CB 3.28Å; E281-R310 WeakPolarHBondContact OE1-CD 3.46Å; E281-R310 WeakPolarHBondContact OE1-CG 3.39Å; E281-R310 IonicContact OE1-CZ 2.84Å; E281-R310 IonicContact OE1-NE 3.07Å; E281-R310 PolarHBondContact OE1-NE 2.9Å; E281-R310 VanDerWaalsContact OE1-NE 3.09Å; G282-R310 VanDerWaalsContact O-CB 3.27Å; G282-R310 WeakPolarHBondContact O-CB 3.44Å; R310-S312 VanDerWaalsContact C-N 3.32Å; R310-S312 PolarHBondContact O-N 2.77Å; R310-D313 PolarHBondContact O-N 2.76Å; R310-I314 WeakPolarHBondContact O-CG1 3.5Å; R310-I314 PolarHBondContact O-N 2.83Å; R310-I314 VanDerWaalsContact O-N 3.1Å; R310-T343 HydrophobicContact CB-CG2 3.7Å; R310-T343 HydrophobicContact CG-CG2 3.87Å; R310-F344 HydrophobicContact CB-CE1 4.34Å
311A97.6Very high95.8Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-61.3-38.6-175.300000112.8G282 V286 I287 G309 D313 I314 L315 F344G282-A311 WeakPolarHBondContact O-CB 3.09Å; G282-A311 PolarHBondContact O-N 3.09Å; V286-A311 HydrophobicContact CB-CB 4.19Å; V286-A311 HydrophobicContact CG1-CB 4.33Å; I287-A311 HydrophobicContact CG1-CB 4.12Å; G309-A311 PolarHBondContact O-N 2.84Å; A311-D313 PolarHBondContact O-N 3.16Å; A311-I314 PolarHBondContact O-N 2.83Å; A311-L315 WeakPolarHBondContact O-CB 3.44Å; A311-L315 VanDerWaalsContact O-CG 3.28Å; A311-L315 WeakPolarHBondContact O-CG 3.2Å; A311-L315 PolarHBondContact O-N 3.41Å; A311-F344 HydrophobicContact CB-CZ 3.99Å
312S97.6Very high95.4Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-61.2-44.5178.1-68.20000111.9I279 E281 V304 S308 G309 R310 L315 A316I279-S312 WeakPolarHBondContact CG2-OG 3.04Å; E281-S312 PolarHBondContact N-OG 3.12Å; E281-S312 WeakPolarHBondContact O-CB 3.41Å; E281-S312 PolarHBondContact O-N 2.89Å; E281-S312 PolarHBondContact O-OG 2.9Å; V304-S312 VanDerWaalsContact CG1-O 3.27Å; V304-S312 WeakPolarHBondContact CG1-O 3.2Å; S308-S312 WeakPolarHBondContact OG-CB 3.35Å; S308-S312 PolarHBondContact OG-OG 3.3Å; G309-S312 PolarHBondContact O-N 3.35Å; G309-S312 VanDerWaalsContact O-N 3.16Å; R310-S312 VanDerWaalsContact C-N 3.32Å; R310-S312 PolarHBondContact O-N 2.77Å; S312-L315 PolarHBondContact O-N 3.44Å; S312-A316 VanDerWaalsContact O-CB 3.3Å; S312-A316 WeakPolarHBondContact O-CB 3.44Å; S312-A316 PolarHBondContact O-N 3.31Å
313D97.1Very high94.8Very high56 Ų5654.9 Ų54.930%0.29929%0.288SS..Hα-helixtrans-69.4-35.7179.6-65.2-2.3000111.6G307 S308 G309 R310 A311 A316 F317G307-D313 VanDerWaalsContact CA-OD1 3.26Å; G307-D313 WeakPolarHBondContact CA-OD1 3.36Å; G307-D313 PolarHBondContact N-OD1 2.91Å; S308-D313 PolarHBondContact N-OD1 3.39Å; G309-D313 VanDerWaalsContact CA-CG 3.5Å; G309-D313 WeakPolarHBondContact CA-OD2 3.45Å; G309-D313 VanDerWaalsContact N-CG 3.34Å; G309-D313 PolarHBondContact N-OD1 3.46Å; G309-D313 PolarHBondContact N-OD2 2.94Å; G309-D313 PolarHBondContact O-N 3.42Å; R310-D313 PolarHBondContact O-N 2.76Å; A311-D313 PolarHBondContact O-N 3.16Å; D313-A316 PolarHBondContact O-N 3.49Å; D313-F317 VanDerWaalsContact O-CB 3.23Å; D313-F317 WeakPolarHBondContact O-CB 3.15Å; D313-F317 PolarHBondContact O-N 3.09Å
314I96.4Very high93.8Very high10 Ų1060.8 Ų60.85%0.05131%0.311CS..Hα-helixtrans-62.4-46174-70.1167.6000110.4I287 R310 A311 G318 L336 T339 I340 T343 F344I287-I314 HydrophobicContact CD1-CG2 4.3Å; R310-I314 WeakPolarHBondContact O-CG1 3.5Å; R310-I314 PolarHBondContact O-N 2.83Å; R310-I314 VanDerWaalsContact O-N 3.1Å; A311-I314 PolarHBondContact O-N 2.83Å; I314-G318 PolarHBondContact O-N 2.83Å; I314-L336 HydrophobicContact CG2-CD1 3.96Å; I314-T339 HydrophobicContact CG1-CG2 4.12Å; I314-I340 HydrophobicContact CD1-CG1 4.05Å; I314-I340 HydrophobicContact CG2-CD1 4.49Å; I314-I340 HydrophobicContact CG2-CG1 4.08Å; I314-T343 HydrophobicContact CD1-CG2 3.92Å; I314-F344 HydrophobicContact CD1-CD2 4.44Å; I314-F344 HydrophobicContact CD1-CE2 3.64Å; I314-F344 HydrophobicContact CD1-CZ 3.83Å
315L96.1Very high92.7Very high38 Ų3862.2 Ų62.220%0.19934%0.336CS..Hα-helixtrans-65.7-43.8177.8-71.3167.7000111.7I287 V290 V304 A311 S312 G318 H319I287-L315 HydrophobicContact CG1-CD2 4.42Å; I287-L315 HydrophobicContact CG1-CG 4.4Å; I287-L315 HydrophobicContact CG2-CD2 4.45Å; V290-L315 HydrophobicContact CB-CD1 4.42Å; V290-L315 HydrophobicContact CG1-CD1 4.48Å; V290-L315 HydrophobicContact CG1-CD2 4.37Å; V290-L315 HydrophobicContact CG2-CD1 3.88Å; V304-L315 HydrophobicContact CG1-CB 4.27Å; V304-L315 HydrophobicContact CG2-CB 4.36Å; V304-L315 HydrophobicContact CG2-CD1 4.49Å; A311-L315 WeakPolarHBondContact O-CB 3.44Å; A311-L315 VanDerWaalsContact O-CG 3.28Å; A311-L315 WeakPolarHBondContact O-CG 3.2Å; A311-L315 PolarHBondContact O-N 3.41Å; S312-L315 PolarHBondContact O-N 3.44Å; L315-G318 PolarHBondContact O-N 3.17Å; L315-H319 WeakPolarHBondContact O-CB 3.45Å; L315-H319 PolarHBondContact O-N 3.43Å
316A95.6Very high91.8Very high16 Ų1663.9 Ų63.913%0.13236%0.356CS..Hα-helixtrans-62.9-42.9177.800000111.4V304 D306 S312 D313 H319 K320V304-A316 HydrophobicContact CG1-CB 4.39Å; D306-A316 HydrophobicContact CB-CB 3.91Å; S312-A316 VanDerWaalsContact O-CB 3.3Å; S312-A316 WeakPolarHBondContact O-CB 3.44Å; S312-A316 PolarHBondContact O-N 3.31Å; D313-A316 PolarHBondContact O-N 3.49Å; A316-H319 PolarHBondContact O-N 3.48Å; A316-K320 VanDerWaalsContact O-CB 3.24Å; A316-K320 WeakPolarHBondContact O-CB 3.33Å; A316-K320 PolarHBondContact O-N 3.31Å
317F93.6Very high91.1Very high49 Ų4964.3 Ų64.322%0.21536%0.358CS..Hα-helixtrans-60.5-51.1173.3-174.7-83.3000111D313 H319 K320 Y321 L332 L336D313-F317 VanDerWaalsContact O-CB 3.23Å; D313-F317 WeakPolarHBondContact O-CB 3.15Å; D313-F317 PolarHBondContact O-N 3.09Å; F317-H319 VanDerWaalsContact C-N 3.33Å; F317-H319 PolarHBondContact O-N 2.72Å; F317-K320 PolarHBondContact O-N 3.33Å; F317-Y321 AromaticContact CD1-CD2 3.94Å; F317-Y321 HydrophobicContact CD1-CD2 3.94Å; F317-Y321 AromaticContact CD2-CD2 3.58Å; F317-Y321 HydrophobicContact CD2-CD2 3.58Å; F317-Y321 AromaticContact CD2-CE2 3.48Å; F317-Y321 HydrophobicContact CD2-CE2 3.48Å; F317-Y321 VanDerWaalsContact CD2-CE2 3.48Å; F317-Y321 AromaticContact CE1-CD2 3.9Å; F317-Y321 HydrophobicContact CE1-CD2 3.9Å; F317-Y321 HydrophobicContact CE1-CG 4.46Å; F317-Y321 AromaticContact CE2-CD2 3.53Å; F317-Y321 HydrophobicContact CE2-CD2 3.53Å; F317-Y321 AromaticContact CE2-CE2 3.41Å; F317-Y321 HydrophobicContact CE2-CE2 3.41Å; F317-Y321 VanDerWaalsContact CE2-CE2 3.41Å; F317-Y321 AromaticContact CG-CD2 3.79Å; F317-Y321 HydrophobicContact CG-CD2 3.79Å; F317-Y321 HydrophobicContact CG-CE2 4.14Å; F317-Y321 AromaticContact CZ-CD2 3.7Å; F317-Y321 HydrophobicContact CZ-CD2 3.7Å; F317-Y321 HydrophobicContact CZ-CE2 4.02Å; F317-Y321 HydrophobicContact CZ-CG 4.33Å; F317-Y321 VanDerWaalsContact O-CD2 3.26Å; F317-Y321 WeakPolarHBondContact O-CD2 3.34Å; F317-Y321 PolarHBondContact O-N 2.76Å; F317-L332 HydrophobicContact CZ-CD2 4.14Å; F317-L336 HydrophobicContact CD1-CD1 3.78Å; F317-L336 HydrophobicContact CD1-CD2 4.42Å; F317-L336 HydrophobicContact CE1-CB 4.47Å; F317-L336 HydrophobicContact CE1-CD1 4.37Å; F317-L336 HydrophobicContact CG-CD1 4.46Å
318G92.3Very high90.7Very high15 Ų1564.2 Ų64.216%0.15535%0.348CS..Hα-helixtrans-55-46.9178.700000112.5I314 L315 S322I314-G318 PolarHBondContact O-N 2.83Å; L315-G318 PolarHBondContact O-N 3.17Å; G318-S322 VanDerWaalsContact O-CB 3.27Å; G318-S322 WeakPolarHBondContact O-CB 3.37Å; G318-S322 PolarHBondContact O-N 2.63Å; G318-S322 PolarHBondContact O-OG 2.85Å
319H91.8Very high90.2Very high157 Ų15767.9 Ų67.973%0.72737%0.367SS*.Hα-helixtrans-66.3-40177.5176.6-83000113.2L315 A316 F317 Y321 S322L315-H319 WeakPolarHBondContact O-CB 3.45Å; L315-H319 PolarHBondContact O-N 3.43Å; A316-H319 PolarHBondContact O-N 3.48Å; F317-H319 VanDerWaalsContact C-N 3.33Å; F317-H319 PolarHBondContact O-N 2.72Å; H319-Y321 VanDerWaalsContact C-N 3.32Å; H319-Y321 PolarHBondContact O-N 2.87Å; H319-S322 PolarHBondContact O-OG 3.08Å
320K91.8Very high89.8Confident140 Ų14074.5 Ų74.561%0.60939%0.394SS*.Hα-helixtrans-68.6-32.5-178-178.6177178.7-174.60112.8A316 F317A316-K320 VanDerWaalsContact O-CB 3.24Å; A316-K320 WeakPolarHBondContact O-CB 3.33Å; A316-K320 PolarHBondContact O-N 3.31Å; F317-K320 PolarHBondContact O-N 3.33Å
321Y90.2Very high89.3Confident98 Ų9873.5 Ų73.538%0.38440%0.402SS..Hα-helixtrans-111.37.9-172.9-65.4-74.1000113.8F317 H319 L332F317-Y321 AromaticContact CD1-CD2 3.94Å; F317-Y321 HydrophobicContact CD1-CD2 3.94Å; F317-Y321 AromaticContact CD2-CD2 3.58Å; F317-Y321 HydrophobicContact CD2-CD2 3.58Å; F317-Y321 AromaticContact CD2-CE2 3.48Å; F317-Y321 HydrophobicContact CD2-CE2 3.48Å; F317-Y321 VanDerWaalsContact CD2-CE2 3.48Å; F317-Y321 AromaticContact CE1-CD2 3.9Å; F317-Y321 HydrophobicContact CE1-CD2 3.9Å; F317-Y321 HydrophobicContact CE1-CG 4.46Å; F317-Y321 AromaticContact CE2-CD2 3.53Å; F317-Y321 HydrophobicContact CE2-CD2 3.53Å; F317-Y321 AromaticContact CE2-CE2 3.41Å; F317-Y321 HydrophobicContact CE2-CE2 3.41Å; F317-Y321 VanDerWaalsContact CE2-CE2 3.41Å; F317-Y321 AromaticContact CG-CD2 3.79Å; F317-Y321 HydrophobicContact CG-CD2 3.79Å; F317-Y321 HydrophobicContact CG-CE2 4.14Å; F317-Y321 AromaticContact CZ-CD2 3.7Å; F317-Y321 HydrophobicContact CZ-CD2 3.7Å; F317-Y321 HydrophobicContact CZ-CE2 4.02Å; F317-Y321 HydrophobicContact CZ-CG 4.33Å; F317-Y321 VanDerWaalsContact O-CD2 3.26Å; F317-Y321 WeakPolarHBondContact O-CD2 3.34Å; F317-Y321 PolarHBondContact O-N 2.76Å; H319-Y321 VanDerWaalsContact C-N 3.32Å; H319-Y321 PolarHBondContact O-N 2.87Å; Y321-L332 HydrophobicContact CD1-CD1 4.4Å
322S88.9Confident89Confident43 Ų4375.5 Ų75.530%0.30141%0.412SS..PPolyproline II helixtrans-80.9134.3169.259.60000111G318 H319 L327G318-S322 VanDerWaalsContact O-CB 3.27Å; G318-S322 WeakPolarHBondContact O-CB 3.37Å; G318-S322 PolarHBondContact O-N 2.63Å; G318-S322 PolarHBondContact O-OG 2.85Å; H319-S322 PolarHBondContact O-OG 3.08Å; S322-L327 CarbonylContact C-O 3.53Å; S322-L327 WeakPolarHBondContact CA-O 3.44Å
323E85.8Confident88.6Confident123 Ų12381 Ų8158%0.57543%0.433SS*.PPolyproline II helixtrans-73.8172.6168.5-64.1178.2-177.600111.1G325 G326 L327E323-G325 PolarHBondContact O-N 3.17Å; E323-G326 PolarHBondContact O-N 3Å; E323-L327 PolarHBondContact N-O 2.96Å
324E78.1Confident88.3Confident199 Ų19982.3 Ų82.393%0.9344%0.44SS*.THydrogen-bonded Turntrans-56.6126.6174.1-160.3169.8-164.700110
325G74.7Confident88.1Confident78 Ų7886.9 Ų86.980%0.80446%0.461SS*.THydrogen-bonded Turntrans91.22.3-17100000115.5E323E323-G325 PolarHBondContact O-N 3.17Å
326G77Confident87.9Confident53 Ų5385.4 Ų85.455%0.54645%0.453SS..SBendtrans83.214.7172.400000114.7E323E323-G326 PolarHBondContact O-N 3Å
327L83.3Confident87.9Confident116 Ų11685 Ų8561%0.60745%0.449SS*.  trans-79137179.6-64.2173.2000110.6S322 E323S322-L327 CarbonylContact C-O 3.53Å; S322-L327 WeakPolarHBondContact CA-O 3.44Å; E323-L327 PolarHBondContact N-O 2.96Å
328I86.3Confident87.9Confident35 Ų3585.8 Ų85.818%0.17946%0.458CS..  trans-118.5128.2174.6-61.9175.6000107.5L332 R333 L336 F355I328-L332 HydrophobicContact CG2-CB 3.62Å; I328-R333 HydrophobicContact CG2-CB 4.45Å; I328-L336 HydrophobicContact CD1-CD2 4.15Å; I328-F355 HydrophobicContact CD1-CE2 4.34Å
329N87.9Confident88Confident85 Ų8587.6 Ų87.646%0.45547%0.466SS..  trans-51142.5175.9179.4-61.7000111.3S331 L332 R333N329-S331 VanDerWaalsContact C-N 3.28Å; N329-S331 PolarHBondContact O-N 2.7Å; N329-S331 PolarHBondContact OD1-N 2.87Å; N329-S331 PolarHBondContact OD1-OG 2.85Å; N329-L332 HydrophobicContact CB-CD1 4.35Å; N329-L332 PolarHBondContact O-N 2.82Å; N329-R333 PolarHBondContact O-N 2.91Å
330E87Confident88.2Confident155 Ų15580.2 Ų80.272%0.72443%0.432SS*.Hα-helixtrans-52.5-40.6-177-66.9-169.815200114L332 R333 D334E330-L332 PolarHBondContact O-N 3.24Å; E330-R333 WeakPolarHBondContact O-CB 3.37Å; E330-R333 PolarHBondContact O-N 3.1Å; E330-D334 PolarHBondContact O-N 3.43Å
331S87.3Confident88.4Confident78 Ų7875.9 Ų75.955%0.54541%0.414SS..Hα-helixtrans-62.5-42177.761.20000112.6N329 Q335N329-S331 VanDerWaalsContact C-N 3.28Å; N329-S331 PolarHBondContact O-N 2.7Å; N329-S331 PolarHBondContact OD1-N 2.87Å; N329-S331 PolarHBondContact OD1-OG 2.85Å; S331-Q335 PolarHBondContact O-N 3.1Å; S331-Q335 VanDerWaalsContact O-N 3.14Å
332L89.6Confident88.7Confident41 Ų4179 Ų7922%0.21543%0.429CS..Hα-helixtrans-74-32.8177.4-67.2173.6000111.4F317 Y321 I328 N329 E330 Q335 L336F317-L332 HydrophobicContact CZ-CD2 4.14Å; Y321-L332 HydrophobicContact CD1-CD1 4.4Å; I328-L332 HydrophobicContact CG2-CB 3.62Å; N329-L332 HydrophobicContact CB-CD1 4.35Å; N329-L332 PolarHBondContact O-N 2.82Å; E330-L332 PolarHBondContact O-N 3.24Å; L332-Q335 PolarHBondContact O-N 3.04Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 PolarHBondContact O-N 3.32Å
333R90.1Very high89Confident115 Ų11578.9 Ų78.943%0.43443%0.427SS..Hα-helixtrans-60.6-48.1172.4178.1-179.7-172.7-169.93.4110.9I328 N329 E330 Q335 L336 L337 F355I328-R333 HydrophobicContact CG2-CB 4.45Å; N329-R333 PolarHBondContact O-N 2.91Å; E330-R333 WeakPolarHBondContact O-CB 3.37Å; E330-R333 PolarHBondContact O-N 3.1Å; R333-Q335 VanDerWaalsContact C-N 3.35Å; R333-Q335 PolarHBondContact O-N 3.11Å; R333-L336 PolarHBondContact O-N 3.33Å; R333-L337 HydrophobicContact CG-CD1 4.33Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 3.07Å; R333-F355 HydrophobicContact CB-CZ 4.42Å; R333-F355 HydrophobicContact CG-CE1 3.99Å; R333-F355 HydrophobicContact CG-CE2 4.09Å; R333-F355 HydrophobicContact CG-CZ 3.65Å; R333-F355 VanDerWaalsContact NE-CE1 3.31Å
334D91.4Very high89.5Confident85 Ų8573.8 Ų73.846%0.45540%0.403SS..Hα-helixtrans-63.3-41.4177.2-82.6-21.9000111.8E330 L336 L337 V338E330-D334 PolarHBondContact O-N 3.43Å; D334-L336 VanDerWaalsContact C-N 3.33Å; D334-L336 PolarHBondContact O-N 3.4Å; D334-L337 PolarHBondContact O-N 3.35Å; D334-V338 WeakPolarHBondContact O-CG2 3.48Å; D334-V338 PolarHBondContact O-N 3.48Å
335Q91.8Very high90.4Very high105 Ų10570.6 Ų70.649%0.49140%0.397SS..Hα-helixtrans-61.1-41.7173.9-176.2-179.4-8.900112.2S331 L332 R333 V338 T339S331-Q335 PolarHBondContact O-N 3.1Å; S331-Q335 VanDerWaalsContact O-N 3.14Å; L332-Q335 PolarHBondContact O-N 3.04Å; R333-Q335 VanDerWaalsContact C-N 3.35Å; R333-Q335 PolarHBondContact O-N 3.11Å; Q335-V338 PolarHBondContact O-N 3.17Å; Q335-T339 PolarHBondContact O-N 2.87Å; Q335-T339 PolarHBondContact O-OG1 2.74Å
336L92.4Very high91.4Very high7 Ų770.3 Ų70.34%0.03737%0.372CS..Hα-helixtrans-67.9-41.1178.7-170.556.9000111.2I314 F317 I328 L332 R333 D334 V338 T339 I340 F355I314-L336 HydrophobicContact CG2-CD1 3.96Å; F317-L336 HydrophobicContact CD1-CD1 3.78Å; F317-L336 HydrophobicContact CD1-CD2 4.42Å; F317-L336 HydrophobicContact CE1-CB 4.47Å; F317-L336 HydrophobicContact CE1-CD1 4.37Å; F317-L336 HydrophobicContact CG-CD1 4.46Å; I328-L336 HydrophobicContact CD1-CD2 4.15Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 PolarHBondContact O-N 3.32Å; R333-L336 PolarHBondContact O-N 3.33Å; D334-L336 VanDerWaalsContact C-N 3.33Å; D334-L336 PolarHBondContact O-N 3.4Å; L336-V338 VanDerWaalsContact C-N 3.34Å; L336-V338 PolarHBondContact O-N 3.32Å; L336-T339 CarbonylContact O-C 3.57Å; L336-T339 WeakPolarHBondContact O-CB 3.38Å; L336-T339 PolarHBondContact O-N 3.47Å; L336-T339 VanDerWaalsContact O-N 3.13Å; L336-I340 HydrophobicContact CG-CD1 4.27Å; L336-I340 WeakPolarHBondContact O-CG1 3.39Å; L336-I340 PolarHBondContact O-N 2.86Å; L336-F355 HydrophobicContact CD2-CD2 4.01Å; L336-F355 HydrophobicContact CD2-CE2 3.9Å; L336-F355 HydrophobicContact CG-CD2 4.46Å
337L94.2Very high92.3Very high9 Ų971.6 Ų71.65%0.04737%0.37CS..Hα-helixtrans-60.7-40.9173.4-75172.9000112.1R333 D334 T339 I340 Q341 A351 Q352 F355R333-L337 HydrophobicContact CG-CD1 4.33Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 3.07Å; D334-L337 PolarHBondContact O-N 3.35Å; L337-T339 VanDerWaalsContact C-N 3.33Å; L337-I340 PolarHBondContact O-N 3.1Å; L337-Q341 VanDerWaalsContact O-CG 3.29Å; L337-Q341 WeakPolarHBondContact O-CG 3.39Å; L337-Q341 PolarHBondContact O-N 2.79Å; L337-Q341 PolarHBondContact O-NE2 2.86Å; L337-A351 HydrophobicContact CD2-CB 4.36Å; L337-Q352 HydrophobicContact CD1-CG 4.35Å; L337-Q352 HydrophobicContact CD2-CG 4.1Å; L337-F355 HydrophobicContact CD2-CB 3.72Å; L337-F355 HydrophobicContact CD2-CG 4.12Å
338V94.7Very high92.8Very high65 Ų6573 Ų7339%0.39437%0.367SS..Hα-helixtrans-64.8-40.1173.9171.30000110.9D334 Q335 L336 Q341 K342D334-V338 WeakPolarHBondContact O-CG2 3.48Å; D334-V338 PolarHBondContact O-N 3.48Å; Q335-V338 PolarHBondContact O-N 3.17Å; L336-V338 VanDerWaalsContact C-N 3.34Å; L336-V338 PolarHBondContact O-N 3.32Å; V338-Q341 PolarHBondContact O-N 3.28Å; V338-K342 HydrophobicContact CG1-CD 4.11Å; V338-K342 WeakPolarHBondContact O-CG 3.45Å; V338-K342 PolarHBondContact O-N 3.35Å
339T94.3Very high93.2Very high52 Ų5276.2 Ų76.232%0.31939%0.388SS..Hα-helixtrans-62.1-47.3176-57.10000111.3I314 Q335 L336 L337 Q341 K342 T343I314-T339 HydrophobicContact CG1-CG2 4.12Å; Q335-T339 PolarHBondContact O-N 2.87Å; Q335-T339 PolarHBondContact O-OG1 2.74Å; L336-T339 CarbonylContact O-C 3.57Å; L336-T339 WeakPolarHBondContact O-CB 3.38Å; L336-T339 PolarHBondContact O-N 3.47Å; L336-T339 VanDerWaalsContact O-N 3.13Å; L337-T339 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.22Å; T339-K342 PolarHBondContact O-N 2.84Å; T339-T343 VanDerWaalsContact O-CB 3.24Å; T339-T343 WeakPolarHBondContact O-CB 3.38Å; T339-T343 PolarHBondContact O-N 3.48Å; T339-T343 PolarHBondContact O-OG1 3.23Å
340I96.1Very high93.4Very high3 Ų376.6 Ų76.62%0.01539%0.387CS..Hα-helixtrans-57.6-47.2176.4-69.8164.6000110.9I314 L336 L337 K342 T343 F344 A351 L354 F355I314-I340 HydrophobicContact CD1-CG1 4.05Å; I314-I340 HydrophobicContact CG2-CD1 4.49Å; I314-I340 HydrophobicContact CG2-CG1 4.08Å; L336-I340 HydrophobicContact CG-CD1 4.27Å; L336-I340 WeakPolarHBondContact O-CG1 3.39Å; L336-I340 PolarHBondContact O-N 2.86Å; L337-I340 PolarHBondContact O-N 3.1Å; I340-K342 PolarHBondContact O-N 2.78Å; I340-T343 PolarHBondContact O-N 3.42Å; I340-F344 HydrophobicContact CG2-CD2 4.04Å; I340-F344 PolarHBondContact O-N 3.2Å; I340-A351 HydrophobicContact CB-CB 4.12Å; I340-A351 HydrophobicContact CG2-CB 3.57Å; I340-L354 HydrophobicContact CG2-CD2 3.96Å; I340-F355 HydrophobicContact CD1-CB 4.06Å
341Q96.4Very high93.8Very high49 Ų4969.2 Ų69.223%0.22935%0.353CS..Hα-helixtrans-58.2-48.8178.3-74.5171.492.700111.7L337 V338 T339 T345 Y346 A351L337-Q341 VanDerWaalsContact O-CG 3.29Å; L337-Q341 WeakPolarHBondContact O-CG 3.39Å; L337-Q341 PolarHBondContact O-N 2.79Å; L337-Q341 PolarHBondContact O-NE2 2.86Å; V338-Q341 PolarHBondContact O-N 3.28Å; T339-Q341 PolarHBondContact O-N 3.22Å; Q341-T345 CarbonylContact O-C 3.6Å; Q341-T345 WeakPolarHBondContact O-CA 3Å; Q341-T345 PolarHBondContact O-N 3.42Å; Q341-Y346 PolarHBondContact O-N 3.43Å; Q341-A351 HydrophobicContact CG-CB 3.47Å; Q341-A351 VanDerWaalsContact CG-CB 3.47Å
342K95.9Very high94Very high162 Ų16270 Ų7070%0.70435%0.348SS*.Hα-helixtrans-66.3-47.5-179.5-71.9178.5179.1179.10111.8V338 T339 I340 F344V338-K342 HydrophobicContact CG1-CD 4.11Å; V338-K342 WeakPolarHBondContact O-CG 3.45Å; V338-K342 PolarHBondContact O-N 3.35Å; T339-K342 PolarHBondContact O-N 2.84Å; I340-K342 PolarHBondContact O-N 2.78Å; K342-F344 PolarHBondContact O-N 3.49Å
343T95.8Very high94.1Very high42 Ų4276.2 Ų76.226%0.25838%0.375SS..Hα-helixtrans-65.6-37.2-174.9-66.90000112.8R310 I314 T339 I340R310-T343 HydrophobicContact CB-CG2 3.7Å; R310-T343 HydrophobicContact CG-CG2 3.87Å; I314-T343 HydrophobicContact CD1-CG2 3.92Å; T339-T343 VanDerWaalsContact O-CB 3.24Å; T339-T343 WeakPolarHBondContact O-CB 3.38Å; T339-T343 PolarHBondContact O-N 3.48Å; T339-T343 PolarHBondContact O-OG1 3.23Å; I340-T343 PolarHBondContact O-N 3.42Å
344F95.6Very high94.1Very high15 Ų1572.4 Ų72.47%0.06636%0.363CS..Hα-helixtrans-108.42.8-177.7-56.9-46.9000114.3P284 I287 R310 A311 I314 I340 K342 Y346 L354P284-F344 HydrophobicContact CB-CD2 4.45Å; P284-F344 HydrophobicContact CB-CE2 4.5Å; P284-F344 HydrophobicContact CG-CB 3.99Å; P284-F344 HydrophobicContact CG-CD1 3.64Å; P284-F344 HydrophobicContact CG-CD2 3.84Å; P284-F344 HydrophobicContact CG-CE1 4Å; P284-F344 HydrophobicContact CG-CE2 4.18Å; P284-F344 HydrophobicContact CG-CG 3.56Å; P284-F344 HydrophobicContact CG-CZ 4.25Å; I287-F344 HydrophobicContact CD1-CE2 4.14Å; I287-F344 HydrophobicContact CD1-CZ 4.43Å; R310-F344 HydrophobicContact CB-CE1 4.34Å; A311-F344 HydrophobicContact CB-CZ 3.99Å; I314-F344 HydrophobicContact CD1-CD2 4.44Å; I314-F344 HydrophobicContact CD1-CE2 3.64Å; I314-F344 HydrophobicContact CD1-CZ 3.83Å; I340-F344 HydrophobicContact CG2-CD2 4.04Å; I340-F344 PolarHBondContact O-N 3.2Å; K342-F344 PolarHBondContact O-N 3.49Å; F344-Y346 HydrophobicContact CB-CD1 3.78Å; F344-Y346 HydrophobicContact CB-CD2 4.13Å; F344-Y346 HydrophobicContact CB-CE1 3.98Å; F344-Y346 HydrophobicContact CB-CE2 4.32Å; F344-Y346 HydrophobicContact CB-CG 3.88Å; F344-Y346 VanDerWaalsContact O-CD1 3.22Å; F344-Y346 WeakPolarHBondContact O-CD1 3.49Å; F344-Y346 PolarHBondContact O-N 3.19Å; F344-L354 HydrophobicContact CD2-CD2 3.77Å; F344-L354 HydrophobicContact CE2-CD2 3.68Å
345T95.9Very high93.9Very high132 Ų13273.3 Ų73.381%0.8136%0.363SS*.THydrogen-bonded Turntrans54.741.7-174.9-390000111.3Q341Q341-T345 CarbonylContact O-C 3.6Å; Q341-T345 WeakPolarHBondContact O-CA 3Å; Q341-T345 PolarHBondContact O-N 3.42Å
346Y96.3Very high94Very high73 Ų7371.7 Ų71.729%0.28636%0.357SS..  trans-92.2149.7-177.8-849.1000111.2P284 Q341 F344 Q350 L354P284-Y346 HydrophobicContact CB-CE2 4.24Å; P284-Y346 WeakPolarHBondContact CB-OH 3.2Å; P284-Y346 HydrophobicContact CG-CE1 4.29Å; P284-Y346 HydrophobicContact CG-CE2 4.1Å; P284-Y346 WeakPolarHBondContact CG-OH 3.48Å; Q341-Y346 PolarHBondContact O-N 3.43Å; F344-Y346 HydrophobicContact CB-CD1 3.78Å; F344-Y346 HydrophobicContact CB-CD2 4.13Å; F344-Y346 HydrophobicContact CB-CE1 3.98Å; F344-Y346 HydrophobicContact CB-CE2 4.32Å; F344-Y346 HydrophobicContact CB-CG 3.88Å; F344-Y346 VanDerWaalsContact O-CD1 3.22Å; F344-Y346 WeakPolarHBondContact O-CD1 3.49Å; F344-Y346 PolarHBondContact O-N 3.19Å; Y346-Q350 HydrophobicContact CD2-CB 3.76Å; Y346-Q350 HydrophobicContact CE2-CB 4.43Å; Y346-Q350 HydrophobicContact CG-CB 3.81Å; Y346-L354 HydrophobicContact CD2-CD2 4.48Å; Y346-L354 HydrophobicContact CE2-CD2 4.08Å
347T96.1Very high94.1Very high80 Ų8075.1 Ų75.149%0.49137%0.374SS..  trans-68162.6165700000110.3T349 Q350 A351T347-T349 PolarHBondContact O-N 2.94Å; T347-Q350 PolarHBondContact O-N 2.56Å; T347-Q350 VanDerWaalsContact O-N 3.11Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.07Å; T347-Q350 PolarHBondContact OG1-N 3.32Å; T347-Q350 PolarHBondContact OG1-OE1 2.97Å; T347-A351 PolarHBondContact O-N 3.07Å
348R92.8Very high94.1Very high145 Ų14578.8 Ų78.855%0.54739%0.392SS..Hα-helixtrans-53.7-43.2176.2-172.5172.1-176.8141.54.5112.3A351 Q352R348-A351 PolarHBondContact O-N 3.24Å; R348-Q352 WeakPolarHBondContact O-CB 3.33Å; R348-Q352 VanDerWaalsContact O-CG 3.31Å; R348-Q352 WeakPolarHBondContact O-CG 3.49Å; R348-Q352 PolarHBondContact O-N 3Å
349T94.8Very high94.1Very high102 Ų10279.6 Ų79.663%0.62639%0.392SS*.Hα-helixtrans-64-42178.3-48.80000112.2T347 Q352 H353T347-T349 PolarHBondContact O-N 2.94Å; T349-Q352 PolarHBondContact O-N 3.16Å; T349-H353 PolarHBondContact O-N 2.99Å; T349-H353 VanDerWaalsContact O-N 3.07Å
350Q93.9Very high94.1Very high93 Ų9381.3 Ų81.344%0.43540%0.396SS..Hα-helixtrans-65.7-39.7176.7-72.7172.1-39.400111.8Y346 T347 H353 L354Y346-Q350 HydrophobicContact CD2-CB 3.76Å; Y346-Q350 HydrophobicContact CE2-CB 4.43Å; Y346-Q350 HydrophobicContact CG-CB 3.81Å; T347-Q350 PolarHBondContact O-N 2.56Å; T347-Q350 VanDerWaalsContact O-N 3.11Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.07Å; T347-Q350 PolarHBondContact OG1-N 3.32Å; T347-Q350 PolarHBondContact OG1-OE1 2.97Å; Q350-H353 PolarHBondContact O-N 3.05Å; Q350-L354 PolarHBondContact O-N 2.92Å
351A93.6Very high93.9Very high0 Ų086.5 Ų86.50%042%0.422CS..Hα-helixtrans-66-40.517600000112.4L337 I340 Q341 T347 R348 H353 L354 F355L337-A351 HydrophobicContact CD2-CB 4.36Å; I340-A351 HydrophobicContact CB-CB 4.12Å; I340-A351 HydrophobicContact CG2-CB 3.57Å; Q341-A351 HydrophobicContact CG-CB 3.47Å; Q341-A351 VanDerWaalsContact CG-CB 3.47Å; T347-A351 PolarHBondContact O-N 3.07Å; R348-A351 PolarHBondContact O-N 3.24Å; A351-H353 VanDerWaalsContact C-N 3.28Å; A351-H353 PolarHBondContact O-N 3.09Å; A351-L354 PolarHBondContact O-N 3.28Å; A351-F355 PolarHBondContact O-N 3Å
352Q92.4Very high93.7Very high95 Ų9589.2 Ų89.244%0.44444%0.436SS..Hα-helixtrans-64.8-28.9174.9-76.7174.1-30.100113.6L337 R348 T349 F355L337-Q352 HydrophobicContact CD1-CG 4.35Å; L337-Q352 HydrophobicContact CD2-CG 4.1Å; R348-Q352 WeakPolarHBondContact O-CB 3.33Å; R348-Q352 VanDerWaalsContact O-CG 3.31Å; R348-Q352 WeakPolarHBondContact O-CG 3.49Å; R348-Q352 PolarHBondContact O-N 3Å; T349-Q352 PolarHBondContact O-N 3.16Å; Q352-F355 VanDerWaalsContact O-OXT 3.09Å
353H92.1Very high93.6Very high172 Ų17283.6 Ų83.680%0.79642%0.415SS*.Hα-helixtrans-76.8-27.5174.6-178.1-72.3000112.1T349 Q350 A351T349-H353 PolarHBondContact O-N 2.99Å; T349-H353 VanDerWaalsContact O-N 3.07Å; Q350-H353 PolarHBondContact O-N 3.05Å; A351-H353 VanDerWaalsContact C-N 3.28Å; A351-H353 PolarHBondContact O-N 3.09Å
354L90.3Very high93.4Very high35 Ų3587.1 Ų87.118%0.18343%0.428CS..Hα-helixtrans-83.9-35.9179.8-173.763.5000112.9P284 I287 I340 F344 Y346 Q350 A351P284-L354 HydrophobicContact CB-CD2 4.13Å; I287-L354 HydrophobicContact CB-CD1 4.23Å; I287-L354 HydrophobicContact CD1-CD1 4.34Å; I287-L354 HydrophobicContact CD1-CD2 3.92Å; I287-L354 HydrophobicContact CD1-CG 4.11Å; I287-L354 HydrophobicContact CG2-CD1 4.24Å; I340-L354 HydrophobicContact CG2-CD2 3.96Å; F344-L354 HydrophobicContact CD2-CD2 3.77Å; F344-L354 HydrophobicContact CE2-CD2 3.68Å; Y346-L354 HydrophobicContact CD2-CD2 4.48Å; Y346-L354 HydrophobicContact CE2-CD2 4.08Å; Q350-L354 PolarHBondContact O-N 2.92Å; A351-L354 PolarHBondContact O-N 3.28Å
355F86.8Confident93.2Very high103 Ų10393.6 Ų93.645%0.45246%0.461SS..  trans-68.80169.9177.2-84.7000109.9I328 R333 L336 L337 I340 A351 Q352I328-F355 HydrophobicContact CD1-CE2 4.34Å; R333-F355 HydrophobicContact CB-CZ 4.42Å; R333-F355 HydrophobicContact CG-CE1 3.99Å; R333-F355 HydrophobicContact CG-CE2 4.09Å; R333-F355 HydrophobicContact CG-CZ 3.65Å; R333-F355 VanDerWaalsContact NE-CE1 3.31Å; L336-F355 HydrophobicContact CD2-CD2 4.01Å; L336-F355 HydrophobicContact CD2-CE2 3.9Å; L336-F355 HydrophobicContact CG-CD2 4.46Å; L337-F355 HydrophobicContact CD2-CB 3.72Å; L337-F355 HydrophobicContact CD2-CG 4.12Å; I340-F355 HydrophobicContact CD1-CB 4.06Å; A351-F355 PolarHBondContact O-N 3Å; Q352-F355 VanDerWaalsContact O-OXT 3.09Å

Retrieved 355 of 355 residues in 288.3 ms (Link to these results)

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